#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjs s LYS 38 N 0.00 2.90 -0.14 2.12 1.02 -1.26 -1.00 119.74 123.38 3bjs s LYS 38 Ca 0.00 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 3bjs s LYS 38 Cb 0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3bjs s LYS 38 CO 0.00 -0.37 0.44 0.42 -0.92 0.00 0.00 175.35 174.93 3bjs s ILE 39 N -2.56 5.20 -0.19 2.17 1.01 0.03 -1.25 121.20 125.60 3bjs s ILE 39 Ca 0.51 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.98 3bjs s ILE 39 Cb -0.10 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 3bjs s ILE 39 CO 0.37 0.32 -0.21 0.35 0.00 0.00 0.00 174.94 175.77 3bjs n THR 40 N 3.81 1.07 -3.81 2.92 -2.24 -0.22 -1.43 114.28 114.38 3bjs n THR 40 Ca -0.08 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3bjs n THR 40 Cb 0.51 -1.45 -0.14 0.00 -2.10 0.00 0.00 70.33 67.16 3bjs n THR 40 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bjs s LYS 41 N -2.37 0.08 -0.15 -0.78 1.02 -1.18 -4.92 119.74 111.45 3bjs s LYS 41 Ca -0.26 0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.94 3bjs s LYS 41 Cb 0.08 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3bjs s LYS 41 CO 0.39 -0.07 -0.18 0.42 -0.92 0.00 0.00 175.35 174.99 3bjs s ILE 42 N 0.46 1.82 -0.07 2.17 1.01 -1.26 -0.91 121.20 124.42 3bjs s ILE 42 Ca -0.03 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3bjs s ILE 42 Cb -0.05 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3bjs s ILE 42 CO -0.02 0.50 -0.13 0.20 0.00 0.00 0.00 174.94 175.49 3bjs s ASN 43 N 1.16 1.88 -0.28 3.58 -0.87 -0.11 -4.90 114.94 115.40 3bjs s ASN 43 Ca -0.00 -0.32 -0.11 0.00 -1.57 0.00 0.00 52.86 50.86 3bjs s ASN 43 Cb -0.14 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.25 40.17 3bjs s ASN 43 CO -0.07 0.04 0.18 0.00 -2.57 0.00 0.00 177.10 174.68 3bjs s ALA 44 N 0.65 3.47 -0.36 0.60 0.00 -1.26 -0.90 121.76 123.95 3bjs s ALA 44 Ca -0.15 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 3bjs s ALA 44 Cb -0.16 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.59 3bjs s ALA 44 CO 0.04 -0.59 0.13 0.42 0.00 0.00 0.00 175.76 175.76 3bjs s ILE 45 N 1.73 3.58 0.12 0.00 1.01 0.24 -4.97 121.20 122.90 3bjs s ILE 45 Ca 0.07 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 3bjs s ILE 45 Cb -0.16 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3bjs s ILE 45 CO 0.10 -0.34 1.01 -2.16 0.00 0.00 0.00 174.94 173.55 3bjs s PRO 46 N 1.31 4.66 0.10 2.79 0.04 -1.26 -1.31 135.00 141.32 3bjs s PRO 46 Ca 0.01 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.64 3bjs s PRO 46 Cb -0.21 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3bjs s PRO 46 CO 0.00 0.15 -0.16 -0.51 0.04 0.00 0.00 177.00 176.52 3bjs s LEU 47 N -0.02 2.32 0.05 -3.56 1.02 0.12 -4.18 118.68 114.43 3bjs s LEU 47 Ca 0.48 -0.69 -0.15 0.00 0.02 0.00 0.00 54.13 53.80 3bjs s LEU 47 Cb -0.25 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.33 3bjs s LEU 47 CO 0.31 -0.05 0.34 -0.94 0.02 0.00 0.00 176.35 176.03 3bjs s SER 48 N -1.98 -0.17 -0.03 2.29 1.04 -1.07 -0.91 113.70 112.89 3bjs s SER 48 Ca 0.04 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.29 3bjs s SER 48 Cb -0.09 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.45 3bjs s SER 48 CO 0.03 -0.66 0.03 -0.47 0.98 0.00 0.00 173.24 173.15 3bjs s TYR 49 N -2.72 0.10 -0.18 5.02 6.14 0.22 -4.05 117.35 121.88 3bjs s TYR 49 Ca -0.04 0.12 -0.08 0.00 0.64 0.00 0.00 57.07 57.71 3bjs s TYR 49 Cb -0.00 -0.32 -0.04 0.00 0.42 0.00 0.00 41.96 42.02 3bjs s TYR 49 CO -0.04 -0.12 0.08 1.03 0.64 0.00 0.00 175.55 177.15 3bjs s ARG 50 N 1.22 3.95 0.02 4.97 0.52 -1.26 -1.08 118.95 127.29 3bjs s ARG 50 Ca -0.07 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 3bjs s ARG 50 Cb -0.13 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3bjs s ARG 50 CO -0.03 0.34 -0.04 -0.48 0.02 0.00 0.00 175.30 175.12 3bjs s LEU 51 N 0.19 3.31 0.00 2.53 2.34 -1.19 -5.04 118.68 120.83 3bjs s LEU 51 Ca 0.06 -0.11 0.00 0.00 0.06 0.00 0.00 54.13 54.13 3bjs s LEU 51 Cb -0.12 -1.92 0.00 0.00 -0.56 0.00 0.00 46.19 43.59 3bjs s LEU 51 CO -0.00 0.26 0.75 -0.81 -1.06 0.00 0.00 176.35 175.49 3bjs n PRO 52 N 1.35 0.85 0.00 1.48 -0.04 -1.26 -4.92 135.00 132.46 3bjs n PRO 52 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3bjs n PRO 52 Cb 0.52 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3bjs n PRO 52 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3bjs n THR 56 N -0.36 0.00 -4.56 0.52 5.66 -1.26 -5.20 114.28 109.08 3bjs n THR 56 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 3bjs n THR 56 Cb 0.05 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.67 3bjs n THR 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3bjs s VAL 57 N -0.61 2.35 -0.16 1.08 1.01 -1.26 -4.97 120.40 117.85 3bjs s VAL 57 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 3bjs s VAL 57 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3bjs s VAL 57 CO 0.00 0.53 0.48 -0.89 0.00 0.00 0.00 175.10 175.22 3bjs s THR 58 N 0.86 5.16 0.12 3.92 2.01 -1.26 -2.68 115.64 123.77 3bjs s THR 58 Ca -0.05 0.91 0.01 0.00 0.31 0.00 0.00 61.69 62.87 3bjs s THR 58 Cb -0.15 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 3bjs s THR 58 CO -0.02 0.26 0.02 0.23 -0.69 0.00 0.00 174.62 174.42 3bjs n MET 59 N 4.24 1.26 0.26 4.92 2.81 0.13 -1.77 117.12 128.96 3bjs n MET 59 Ca -0.06 -0.94 0.15 0.00 -1.81 0.00 0.00 57.70 55.03 3bjs n MET 59 Cb 0.51 0.38 0.66 0.00 -0.71 0.00 0.00 33.22 34.06 3bjs n MET 59 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3bjs h GLY 60 N 0.38 0.00 1.86 3.03 0.00 -1.78 -1.89 103.07 104.67 3bjs h GLY 60 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3bjs h GLY 60 CO 0.16 0.00 -0.11 -2.08 0.00 0.00 0.00 176.54 174.51 3bjs h VAL 61 N 0.00 0.00 0.00 4.60 2.07 -1.86 -3.43 116.25 117.63 3bjs h VAL 61 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3bjs h VAL 61 Cb 0.53 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3bjs h VAL 61 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3bjs n GLY 62 N 1.30 0.43 3.39 2.17 0.00 -0.71 -4.79 105.19 106.97 3bjs n GLY 62 Ca 0.05 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3bjs n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bjs s SER 63 N -4.00 4.34 -0.21 1.61 0.01 0.25 0.17 113.70 115.86 3bjs s SER 63 Ca 0.00 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.71 3bjs s SER 63 Cb 0.00 -1.70 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 3bjs s SER 63 CO 0.00 0.10 0.90 -0.89 0.41 0.00 0.00 173.24 173.76 3bjs s THR 64 N 0.74 4.80 -0.01 1.44 2.01 -1.09 -0.84 115.64 122.69 3bjs s THR 64 Ca -0.03 1.75 0.03 0.00 0.31 0.00 0.00 61.69 63.75 3bjs s THR 64 Cb -0.15 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3bjs s THR 64 CO 0.02 -0.07 0.06 2.30 -0.69 0.00 0.00 174.62 176.23 3bjs n ILE 65 N 5.08 0.07 -3.73 1.82 -5.35 -1.12 -4.15 119.36 111.98 3bjs n ILE 65 Ca 0.07 -0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 3bjs n ILE 65 Cb 0.48 0.01 -0.12 0.00 -1.74 0.00 0.00 39.64 38.27 3bjs n ILE 65 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3bjs s LYS 66 N -2.19 0.33 -0.21 6.28 2.20 -1.22 -3.14 119.74 121.79 3bjs s LYS 66 Ca -0.01 0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 56.12 3bjs s LYS 66 Cb 0.02 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 3bjs s LYS 66 CO 0.14 -0.12 0.03 1.03 -0.36 0.00 0.00 175.35 176.07 3bjs s ARG 67 N 0.91 3.69 0.16 4.03 0.52 -0.24 -4.71 118.95 123.31 3bjs s ARG 67 Ca -0.06 -0.48 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 3bjs s ARG 67 Cb -0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3bjs s ARG 67 CO -0.07 -0.01 -0.04 -0.51 0.02 0.00 0.00 175.30 174.69 3bjs s ASP 68 N 1.09 4.57 -0.07 0.23 -0.00 -1.26 -0.61 116.67 120.61 3bjs s ASP 68 Ca 0.03 -0.44 -0.16 0.00 -0.00 0.00 0.00 52.55 51.99 3bjs s ASP 68 Cb -0.14 -0.91 0.03 0.00 -0.00 0.00 0.00 42.92 41.90 3bjs s ASP 68 CO 0.02 0.11 0.37 0.00 -0.00 0.00 0.00 175.17 175.67 3bjs s ALA 69 N -1.62 -0.93 -0.20 5.23 0.00 -0.08 -4.78 121.76 119.38 3bjs s ALA 69 Ca 0.26 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3bjs s ALA 69 Cb -0.10 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.84 3bjs s ALA 69 CO 0.17 -0.24 -0.17 0.42 0.00 0.00 0.00 175.76 175.94 3bjs s ILE 70 N -0.70 2.05 -0.18 0.00 1.01 -1.17 0.12 121.20 122.33 3bjs s ILE 70 Ca -0.08 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.39 3bjs s ILE 70 Cb -0.04 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3bjs s ILE 70 CO 0.03 0.38 0.08 -0.63 0.00 0.00 0.00 174.94 174.80 3bjs s ILE 71 N 1.26 4.92 -0.15 2.92 1.01 -0.43 -0.80 121.20 129.93 3bjs s ILE 71 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3bjs s ILE 71 Cb -0.15 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3bjs s ILE 71 CO -0.11 0.46 0.00 -0.63 0.00 0.00 0.00 174.94 174.67 3bjs s ILE 72 N 0.30 4.28 -0.18 2.92 1.01 0.41 -0.59 121.20 129.34 3bjs s ILE 72 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 3bjs s ILE 72 Cb -0.12 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 3bjs s ILE 72 CO -0.00 0.51 -0.10 -0.60 0.00 0.00 0.00 174.94 174.74 3bjs s ARG 73 N 0.08 3.30 -0.18 2.79 3.52 -0.08 -1.08 118.95 127.29 3bjs s ARG 73 Ca 0.02 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3bjs s ARG 73 Cb -0.13 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 3bjs s ARG 73 CO 0.02 -0.06 -0.12 0.08 -0.81 0.00 0.00 175.30 174.41 3bjs s VAL 74 N 1.05 2.81 -0.06 7.11 1.01 -0.52 -0.94 120.40 130.87 3bjs s VAL 74 Ca -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3bjs s VAL 74 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3bjs s VAL 74 CO -0.02 0.49 0.09 -1.61 0.00 0.00 0.00 175.10 174.05 3bjs s GLU 75 N 1.16 3.20 0.42 2.72 2.02 -0.09 -1.02 118.70 127.11 3bjs s GLU 75 Ca 0.01 -0.34 0.07 0.00 0.02 0.00 0.00 54.97 54.74 3bjs s GLU 75 Cb -0.14 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3bjs s GLU 75 CO -0.04 0.70 0.29 0.95 0.02 0.00 0.00 175.26 177.19 3bjs s THR 76 N -1.08 2.49 0.30 3.63 -4.23 -0.85 -1.06 115.64 114.85 3bjs s THR 76 Ca 0.19 -1.50 0.14 0.00 -1.18 0.00 0.00 61.69 59.34 3bjs s THR 76 Cb -0.12 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.81 3bjs s THR 76 CO 0.09 0.00 1.75 0.77 -0.54 0.00 0.00 174.62 176.69 3bjs h SER 77 N 1.19 0.00 -0.80 3.99 4.64 -1.50 -3.10 113.55 117.97 3bjs h SER 77 Ca -0.42 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.63 3bjs h SER 77 Cb 1.26 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 3bjs h SER 77 CO 0.63 0.44 0.35 -0.62 -0.87 0.00 0.00 176.83 176.75 3bjs n GLU 78 N -3.85 3.51 0.00 4.77 1.02 -1.26 -4.94 120.64 119.89 3bjs n GLU 78 Ca -0.01 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 3bjs n GLU 78 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 3bjs n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bjs n GLY 79 N -0.32 2.68 3.73 0.62 0.00 -1.17 -5.01 105.19 105.72 3bjs n GLY 79 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 3bjs n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bjs s ILE 80 N -2.22 3.76 -0.13 -0.61 1.01 -1.26 -4.81 121.20 116.93 3bjs s ILE 80 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.07 3bjs s ILE 80 Cb 0.00 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3bjs s ILE 80 CO 0.00 0.19 -0.20 -0.89 0.00 0.00 0.00 174.94 174.04 3bjs s THR 81 N 0.32 2.38 0.15 2.92 2.01 -1.26 -2.00 115.64 120.15 3bjs s THR 81 Ca 0.55 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3bjs s THR 81 Cb -0.31 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3bjs s THR 81 CO 0.34 0.54 -0.01 -0.83 -0.69 0.00 0.00 174.62 173.96 3bjs s GLY 82 N 0.54 1.78 -0.04 4.40 0.00 -0.19 -4.79 107.32 109.02 3bjs s GLY 82 Ca -0.12 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.34 3bjs s GLY 82 CO 0.04 -1.30 -0.14 -0.19 0.00 0.00 0.00 173.10 171.51 3bjs s TYR 83 N -1.57 1.43 0.29 1.90 2.02 -1.26 -1.44 117.35 118.73 3bjs s TYR 83 Ca 0.26 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3bjs s TYR 83 Cb -0.10 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 3bjs s TYR 83 CO 0.18 -0.14 0.18 0.20 -1.57 0.00 0.00 175.55 174.40 3bjs s GLY 84 N 0.09 2.00 -0.08 0.71 0.00 -0.24 -3.73 107.32 106.05 3bjs s GLY 84 Ca -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.88 3bjs s GLY 84 CO 0.01 -1.53 -0.06 1.85 0.00 0.00 0.00 173.10 173.38 3bjs s GLU 85 N -3.81 1.24 -0.08 2.90 2.12 -1.26 -0.44 118.70 119.37 3bjs s GLU 85 Ca 0.37 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.48 3bjs s GLU 85 Cb 0.05 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 3bjs s GLU 85 CO 0.19 -0.20 0.13 0.00 -0.54 0.00 0.00 175.26 174.84 3bjs s ALA 86 N 1.46 3.79 0.24 6.30 0.00 0.01 -3.56 121.76 130.02 3bjs s ALA 86 Ca -0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3bjs s ALA 86 Cb -0.13 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 3bjs s ALA 86 CO -0.04 0.65 1.20 -1.58 0.00 0.00 0.00 175.76 175.99 3bjs s HIS 87 N -1.10 3.38 -0.13 0.00 2.46 -1.02 -3.04 115.29 115.85 3bjs s HIS 87 Ca 0.18 1.48 0.30 0.00 0.47 0.00 0.00 55.06 57.49 3bjs s HIS 87 Cb -0.12 -3.45 1.20 0.00 -0.13 0.00 0.00 32.58 30.08 3bjs s HIS 87 CO 0.08 -1.21 1.88 -1.35 -2.47 0.00 0.00 174.74 171.67 3bjs h PRO 88 N 4.46 0.00 -4.37 2.88 0.11 -1.93 -3.46 132.00 129.70 3bjs h PRO 88 Ca -0.46 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.24 3bjs h PRO 88 Cb 1.22 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.37 3bjs h PRO 88 CO 0.71 0.00 -0.59 0.41 -0.21 0.00 0.00 178.00 178.31 3bjs n GLY 89 N 0.07 -0.52 3.59 -0.55 0.00 -1.26 -2.21 105.19 104.31 3bjs n GLY 89 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3bjs n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjs n ARG 90 N -3.89 -0.80 -2.99 1.61 5.12 -1.26 -4.79 116.66 109.66 3bjs n ARG 90 Ca -0.12 0.20 -0.14 0.00 -1.93 0.00 0.00 57.85 55.85 3bjs n ARG 90 Cb 0.62 -4.68 -0.02 0.00 -1.16 0.00 0.00 32.46 27.22 3bjs n ARG 90 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3bjs n SER 91 N -0.40 -1.94 0.28 0.55 2.88 -0.94 -4.86 113.62 109.20 3bjs n SER 91 Ca 0.00 -2.83 0.15 0.00 -1.33 0.00 0.00 58.87 54.86 3bjs n SER 91 Cb 0.20 0.77 0.84 0.00 -0.75 0.00 0.00 64.21 65.27 3bjs n SER 91 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3bjs h PRO 92 N 4.75 0.00 -0.09 -1.46 0.13 -1.78 -1.88 132.00 131.67 3bjs h PRO 92 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3bjs h PRO 92 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3bjs h PRO 92 CO 0.26 0.07 -0.14 0.78 -0.23 0.00 0.00 178.00 178.73 3bjs h GLY 93 N 0.60 0.15 1.11 1.56 0.00 -1.96 -2.51 103.07 102.01 3bjs h GLY 93 Ca -0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 3bjs h GLY 93 CO 0.01 0.08 -0.65 0.00 0.00 0.00 0.00 176.54 175.98 3bjs h ALA 94 N 1.73 0.33 -0.23 3.60 0.00 -1.68 -1.88 119.26 121.13 3bjs h ALA 94 Ca 0.03 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 3bjs h ALA 94 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bjs h ALA 94 CO 0.02 0.62 -0.59 0.82 0.00 0.00 0.00 179.25 180.12 3bjs h ILE 95 N 0.50 1.28 -0.13 0.00 5.03 -1.63 -0.43 117.51 122.13 3bjs h ILE 95 Ca -0.03 -1.79 0.04 0.00 -0.12 0.00 0.00 64.86 62.97 3bjs h ILE 95 Cb 1.28 1.78 -0.05 0.00 -3.03 0.00 0.00 36.82 36.80 3bjs h ILE 95 CO 0.14 0.57 -0.17 0.74 -0.68 0.00 0.00 178.15 178.75 3bjs h THR 96 N 0.56 0.55 -0.55 -0.27 2.02 -1.51 -1.49 112.91 112.22 3bjs h THR 96 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3bjs h THR 96 Cb 1.21 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3bjs h THR 96 CO 0.13 0.00 0.34 -1.28 0.37 0.00 0.00 175.52 175.08 3bjs h SER 97 N -0.22 0.65 -0.94 4.18 0.87 -1.26 -1.65 113.55 115.19 3bjs h SER 97 Ca 0.10 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3bjs h SER 97 Cb 0.36 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 3bjs h SER 97 CO -0.26 0.51 0.62 0.25 -0.53 0.00 0.00 176.83 177.42 3bjs h LEU 98 N 0.74 1.06 0.30 2.23 5.85 -0.81 -0.47 115.31 124.21 3bjs h LEU 98 Ca 0.20 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3bjs h LEU 98 Cb -0.04 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.74 3bjs h LEU 98 CO -0.04 0.76 -0.14 0.40 -0.34 0.00 0.00 178.44 179.07 3bjs h ILE 99 N 1.25 0.66 0.00 4.05 2.04 -1.14 -1.97 117.51 122.40 3bjs h ILE 99 Ca 0.36 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3bjs h ILE 99 Cb -0.10 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3bjs h ILE 99 CO -0.09 0.13 -0.14 0.45 0.00 0.00 0.00 178.15 178.49 3bjs h HIS 100 N -0.83 0.00 0.00 1.37 3.86 -1.12 0.34 115.15 118.78 3bjs h HIS 100 Ca -0.04 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.94 3bjs h HIS 100 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 3bjs h HIS 100 CO 0.04 0.14 -2.11 0.09 0.86 0.00 0.00 177.93 176.95 3bjs n ASN 101 N -4.19 0.69 0.03 2.45 3.02 -0.20 -4.76 115.26 112.30 3bjs n ASN 101 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3bjs n ASN 101 Cb 0.22 1.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 3bjs n ASN 101 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3bjs n THR 102 N -2.51 0.38 0.07 3.41 -1.04 -0.88 -4.82 114.28 108.88 3bjs n THR 102 Ca -0.22 0.12 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 3bjs n THR 102 Cb 0.91 -1.26 -0.14 0.00 -1.82 0.00 0.00 70.33 68.01 3bjs n THR 102 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3bjs h ILE 103 N 0.00 1.46 -0.20 12.58 2.04 -1.31 -3.26 117.51 128.82 3bjs h ILE 103 Ca 0.00 -2.52 0.04 0.00 1.00 0.00 0.00 64.86 63.38 3bjs h ILE 103 Cb 0.43 3.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.58 3bjs h ILE 103 CO 0.00 0.73 -0.05 0.00 0.00 0.00 0.00 178.15 178.83 3bjs h ALA 104 N 0.12 0.13 -0.10 1.87 0.00 -1.17 -2.90 119.26 117.22 3bjs h ALA 104 Ca -0.16 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bjs h ALA 104 Cb 1.72 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 3bjs h ALA 104 CO 0.18 -0.48 0.07 -1.35 0.00 0.00 0.00 179.25 177.67 3bjs h PRO 105 N 0.00 0.05 0.00 0.00 0.11 -1.79 -1.62 132.00 128.75 3bjs h PRO 105 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3bjs h PRO 105 Cb 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3bjs h PRO 105 CO -0.21 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.62 3bjs n MET 106 N -4.52 0.25 -0.00 1.05 0.00 -1.10 -3.63 117.12 109.17 3bjs n MET 106 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 57.70 57.75 3bjs n MET 106 Cb 0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.84 3bjs n MET 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3bjs n LEU 107 N -1.36 0.17 -4.71 3.17 4.77 -0.68 -4.95 117.00 113.40 3bjs n LEU 107 Ca 0.10 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 3bjs n LEU 107 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3bjs n LEU 107 CO 0.22 0.04 1.11 -0.63 -1.33 0.00 0.00 177.39 176.81 3bjs s ILE 108 N -1.59 3.16 0.00 -0.08 -1.09 -0.77 -2.72 121.20 118.11 3bjs s ILE 108 Ca 0.01 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 3bjs s ILE 108 Cb 0.03 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3bjs s ILE 108 CO 0.19 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3bjs n GLY 109 N 3.58 1.85 3.78 6.18 0.00 -0.52 -4.98 105.19 115.08 3bjs n GLY 109 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3bjs n GLY 109 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bjs s MET 110 N -0.94 3.07 0.13 1.61 -1.94 -1.10 -4.60 119.30 115.52 3bjs s MET 110 Ca 0.00 1.43 -0.31 0.00 -1.71 0.00 0.00 55.69 55.10 3bjs s MET 110 Cb 0.00 -1.98 -0.09 0.00 2.01 0.00 0.00 34.83 34.77 3bjs s MET 110 CO 0.00 -1.04 1.47 0.21 -0.01 0.00 0.00 175.02 175.65 3bjs s LYS 111 N -3.82 4.27 0.37 2.03 2.20 -1.26 -0.79 119.74 122.74 3bjs s LYS 111 Ca 0.68 2.19 0.27 0.00 -0.36 0.00 0.00 55.97 58.76 3bjs s LYS 111 Cb -0.21 -3.24 1.06 0.00 -1.51 0.00 0.00 37.83 33.94 3bjs s LYS 111 CO 0.36 -0.52 1.81 0.00 -0.36 0.00 0.00 175.35 176.64 3bjs h ALA 112 N 6.91 1.00 0.00 3.13 0.00 -1.33 -2.19 119.26 126.78 3bjs h ALA 112 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3bjs h ALA 112 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3bjs h ALA 112 CO 0.89 0.00 -0.64 0.25 0.00 0.00 0.00 179.25 179.75 3bjs n THR 113 N -2.60 0.13 -2.00 0.00 -2.24 -1.26 -4.55 114.28 101.76 3bjs n THR 113 Ca 0.02 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3bjs n THR 113 Cb 0.30 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3bjs n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3bjs n ASP 114 N -1.76 4.99 0.18 3.42 2.03 -0.82 -4.67 116.55 119.92 3bjs n ASP 114 Ca 0.04 -2.97 0.09 0.00 0.52 0.00 0.00 54.79 52.47 3bjs n ASP 114 Cb 0.38 -1.55 0.10 0.00 -0.72 0.00 0.00 41.12 39.33 3bjs n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bjs h VAL 116 N 0.00 1.30 -0.03 0.00 2.07 -1.98 -1.02 116.25 116.60 3bjs h VAL 116 Ca -0.01 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 3bjs h VAL 116 Cb 1.14 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3bjs h VAL 116 CO 0.02 0.36 -0.51 1.23 0.02 0.00 0.00 177.57 178.69 3bjs h GLY 117 N 0.17 0.08 1.14 2.17 0.00 -1.94 -1.37 103.07 103.32 3bjs h GLY 117 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 3bjs h GLY 117 CO 0.03 0.07 -0.27 0.00 0.00 0.00 0.00 176.54 176.37 3bjs h ALA 118 N 1.43 0.67 -0.37 3.60 0.00 -1.25 -2.95 119.26 120.39 3bjs h ALA 118 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3bjs h ALA 118 Cb 0.92 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3bjs h ALA 118 CO 0.07 0.68 -0.24 2.35 0.00 0.00 0.00 179.25 182.10 3bjs h TRP 119 N 0.82 0.85 0.00 0.00 7.01 -0.94 -3.11 115.95 120.57 3bjs h TRP 119 Ca 0.09 -0.20 -0.07 0.00 2.11 0.00 0.00 58.89 60.82 3bjs h TRP 119 Cb 0.85 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 3bjs h TRP 119 CO 0.05 0.91 -0.35 1.96 -2.79 0.00 0.00 178.44 178.23 3bjs h GLN 120 N 0.64 0.00 -0.39 2.65 1.08 -1.21 -1.10 115.11 116.78 3bjs h GLN 120 Ca 0.09 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.14 3bjs h GLN 120 Cb 0.75 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 3bjs h GLN 120 CO 0.06 0.35 -0.32 0.00 -0.95 0.00 0.00 178.83 177.97 3bjs h ARG 121 N 0.00 0.91 -0.13 1.46 3.08 -1.45 -2.47 114.38 115.77 3bjs h ARG 121 Ca -0.00 -0.46 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 3bjs h ARG 121 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3bjs h ARG 121 CO 0.05 1.11 -0.49 0.28 -1.07 0.00 0.00 179.97 179.84 3bjs h VAL 122 N 0.72 1.33 -0.46 2.04 2.07 -1.47 -1.92 116.25 118.56 3bjs h VAL 122 Ca 0.07 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 3bjs h VAL 122 Cb 0.91 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3bjs h VAL 122 CO 0.08 0.52 0.25 -0.74 0.02 0.00 0.00 177.57 177.71 3bjs h HIS 123 N 0.28 0.63 0.00 1.57 -0.00 -1.10 -1.02 115.15 115.51 3bjs h HIS 123 Ca 0.01 -0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 3bjs h HIS 123 Cb 0.97 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.15 3bjs h HIS 123 CO 0.03 0.47 -1.13 0.07 -0.00 0.00 0.00 177.93 177.37 3bjs h ARG 124 N 0.61 0.00 0.00 5.26 0.11 -1.39 0.72 114.38 119.69 3bjs h ARG 124 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3bjs h ARG 124 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 3bjs h ARG 124 CO -0.03 0.63 -1.00 -1.33 0.10 0.00 0.00 179.97 178.34 3bjs n MET 125 N -3.16 0.57 0.00 0.08 2.81 -0.73 -4.51 117.12 112.17 3bjs n MET 125 Ca -0.05 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3bjs n MET 125 Cb 0.90 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 3bjs n MET 125 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3bjs n GLN 126 N -2.58 0.00 0.07 0.03 1.13 -0.43 -4.76 117.38 110.85 3bjs n GLN 126 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 3bjs n GLN 126 Cb 0.54 -0.44 -0.13 0.00 0.11 0.00 0.00 30.24 30.31 3bjs n GLN 126 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3bjs h LEU 127 N 0.00 0.27 0.17 1.08 3.38 -1.10 -3.29 115.31 115.82 3bjs h LEU 127 Ca 0.00 -0.32 -0.32 0.00 0.09 0.00 0.00 57.88 57.33 3bjs h LEU 127 Cb 0.42 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3bjs h LEU 127 CO 0.00 1.26 -1.54 0.77 0.09 0.00 0.00 178.44 179.02 3bjs h SER 128 N 0.05 0.56 -4.56 -0.43 4.64 -1.11 -3.46 113.55 109.23 3bjs h SER 128 Ca -0.14 -0.71 -0.15 0.00 -0.47 0.00 0.00 61.79 60.32 3bjs h SER 128 Cb 1.93 -0.18 -0.22 0.00 -0.31 0.00 0.00 62.40 63.62 3bjs h SER 128 CO 0.17 1.58 -0.44 -0.44 -0.87 0.00 0.00 176.83 176.83 3bjs s SER 129 N -7.22 -0.10 -0.27 4.97 0.01 -1.26 -4.98 113.70 104.84 3bjs s SER 129 Ca -0.10 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.24 3bjs s SER 129 Cb 0.06 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.60 3bjs s SER 129 CO 0.88 -0.28 0.00 1.41 0.41 0.00 0.00 173.24 175.66 3bjs n HIS 130 N 1.96 -1.61 -2.73 2.43 8.25 -1.26 -4.43 115.22 117.84 3bjs n HIS 130 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3bjs n HIS 130 Cb 0.57 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.27 3bjs n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bjs n GLY 131 N -0.44 5.77 0.16 -1.41 0.00 -1.24 -5.03 105.19 102.99 3bjs n GLY 131 Ca -0.03 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.07 3bjs n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjs n LEU 132 N 0.00 0.82 0.00 0.99 4.77 -1.26 -5.01 117.00 117.31 3bjs n LEU 132 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3bjs n LEU 132 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3bjs n LEU 132 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3bjs n GLY 133 N 1.39 1.01 0.23 -0.72 0.00 -1.26 -2.96 105.19 102.88 3bjs n GLY 133 Ca 0.10 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.53 3bjs n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs h ALA 134 N -0.80 1.49 -0.19 4.61 0.00 -1.95 -2.81 119.26 119.62 3bjs h ALA 134 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3bjs h ALA 134 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bjs h ALA 134 CO 0.00 0.37 -0.28 0.78 0.00 0.00 0.00 179.25 180.12 3bjs h GLY 135 N 0.79 0.39 1.83 0.00 0.00 -1.95 -2.66 103.07 101.47 3bjs h GLY 135 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 3bjs h GLY 135 CO 0.03 0.29 -0.64 0.00 0.00 0.00 0.00 176.54 176.22 3bjs h ALA 136 N 1.40 0.85 -0.72 3.60 0.00 -1.72 -2.40 119.26 120.26 3bjs h ALA 136 Ca 0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3bjs h ALA 136 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3bjs h ALA 136 CO 0.05 0.76 0.18 0.00 0.00 0.00 0.00 179.25 180.24 3bjs h ALA 137 N 1.22 0.95 -0.72 0.00 0.00 -1.41 -0.69 119.26 118.61 3bjs h ALA 137 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3bjs h ALA 137 Cb 1.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3bjs h ALA 137 CO 0.09 0.67 0.24 -0.07 0.00 0.00 0.00 179.25 180.19 3bjs h LEU 138 N 1.09 1.04 0.12 0.00 3.38 -1.37 -1.55 115.31 118.02 3bjs h LEU 138 Ca 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3bjs h LEU 138 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3bjs h LEU 138 CO 0.00 0.96 -0.06 0.00 0.09 0.00 0.00 178.44 179.43 3bjs h ALA 139 N 1.12 -0.16 0.00 1.53 0.00 -1.15 -3.11 119.26 117.48 3bjs h ALA 139 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bjs h ALA 139 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3bjs h ALA 139 CO -0.01 -0.43 -0.17 0.97 0.00 0.00 0.00 179.25 179.61 3bjs h ILE 140 N -0.49 0.55 -0.39 0.00 6.09 -1.15 -3.06 117.51 119.05 3bjs h ILE 140 Ca -0.02 -0.81 0.05 0.00 -1.37 0.00 0.00 64.86 62.71 3bjs h ILE 140 Cb 0.40 1.54 -0.04 0.00 0.47 0.00 0.00 36.82 39.19 3bjs h ILE 140 CO 0.03 0.17 0.14 0.28 -3.07 0.00 0.00 178.15 175.69 3bjs h SER 141 N 0.00 0.15 -0.27 2.19 0.02 -1.21 0.11 113.55 114.55 3bjs h SER 141 Ca -0.00 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 3bjs h SER 141 Cb 0.53 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3bjs h SER 141 CO 0.02 0.12 -0.55 1.23 -1.14 0.00 0.00 176.83 176.51 3bjs h GLY 142 N 0.30 0.93 0.87 -3.77 0.00 -1.56 -2.31 103.07 97.53 3bjs h GLY 142 Ca 0.18 -1.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 3bjs h GLY 142 CO -0.18 0.99 0.06 -2.22 0.00 0.00 0.00 176.54 175.19 3bjs h ILE 143 N 0.62 1.18 -0.42 2.60 2.04 -1.43 -0.99 117.51 121.12 3bjs h ILE 143 Ca 0.01 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3bjs h ILE 143 Cb 1.16 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 3bjs h ILE 143 CO 0.12 0.17 0.17 -0.78 0.00 0.00 0.00 178.15 177.83 3bjs h ASP 144 N 0.13 0.21 -0.90 1.72 3.58 -0.84 0.15 116.42 120.47 3bjs h ASP 144 Ca 0.06 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.60 3bjs h ASP 144 Cb 0.21 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 3bjs h ASP 144 CO -0.00 0.16 0.57 -0.03 -2.88 0.00 0.00 179.24 177.06 3bjs h MET 145 N 0.35 1.03 -0.18 0.28 4.05 -1.25 0.18 114.93 119.39 3bjs h MET 145 Ca 0.19 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.41 3bjs h MET 145 Cb 0.15 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3bjs h MET 145 CO -0.17 0.68 -0.45 0.00 0.23 0.00 0.00 176.91 177.20 3bjs h ALA 146 N 1.40 0.88 -0.16 0.39 0.00 -0.60 -2.47 119.26 118.71 3bjs h ALA 146 Ca 0.38 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3bjs h ALA 146 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3bjs h ALA 146 CO -0.16 0.65 -0.41 -0.07 0.00 0.00 0.00 179.25 179.26 3bjs h LEU 147 N 0.36 0.39 -0.70 0.00 3.38 0.23 -2.13 115.31 116.85 3bjs h LEU 147 Ca 0.02 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3bjs h LEU 147 Cb 0.94 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3bjs h LEU 147 CO 0.08 0.76 -0.60 -0.50 0.09 0.00 0.00 178.44 178.27 3bjs h TRP 148 N 0.30 0.23 -0.68 1.13 4.06 -0.94 -1.63 115.95 118.42 3bjs h TRP 148 Ca 0.03 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 3bjs h TRP 148 Cb 0.86 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 3bjs h TRP 148 CO 0.02 0.73 0.14 0.22 -3.56 0.00 0.00 178.44 175.99 3bjs h ASP 149 N 0.13 1.05 -0.35 -3.49 3.58 -1.20 -0.62 116.42 115.53 3bjs h ASP 149 Ca -0.01 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3bjs h ASP 149 Cb 1.09 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 3bjs h ASP 149 CO 0.09 1.03 0.14 0.40 -2.88 0.00 0.00 179.24 178.02 3bjs h ILE 150 N 1.04 1.18 -0.50 2.25 2.04 -1.29 -2.59 117.51 119.65 3bjs h ILE 150 Ca 0.21 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3bjs h ILE 150 Cb 0.40 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3bjs h ILE 150 CO 0.01 0.20 0.23 0.03 0.00 0.00 0.00 178.15 178.62 3bjs h ARG 151 N 0.41 0.70 -0.29 2.37 3.08 -0.96 0.57 114.38 120.26 3bjs h ARG 151 Ca 0.12 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3bjs h ARG 151 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3bjs h ARG 151 CO -0.01 0.55 -0.21 0.78 -1.07 0.00 0.00 179.97 180.00 3bjs h GLY 152 N 0.81 0.72 1.58 0.04 0.00 -1.09 -2.59 103.07 102.54 3bjs h GLY 152 Ca 0.18 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 3bjs h GLY 152 CO -0.02 0.63 -0.34 0.50 0.00 0.00 0.00 176.54 177.31 3bjs h LYS 153 N 0.41 0.48 -0.02 4.80 1.57 -1.01 -0.37 116.57 122.43 3bjs h LYS 153 Ca 0.06 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 3bjs h LYS 153 Cb 0.76 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3bjs h LYS 153 CO 0.06 0.76 -0.71 0.00 -0.57 0.00 0.00 179.45 178.98 3bjs h ALA 154 N 1.23 0.79 -0.00 3.86 0.00 -0.95 -3.12 119.26 121.07 3bjs h ALA 154 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3bjs h ALA 154 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3bjs h ALA 154 CO 0.06 0.84 -0.36 0.00 0.00 0.00 0.00 179.25 179.80 3bjs n ALA 155 N -2.43 3.27 -3.84 0.00 0.00 -0.98 -4.96 120.51 111.57 3bjs n ALA 155 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 3bjs n ALA 155 Cb 0.69 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 19.01 3bjs n ALA 155 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bjs n ASN 156 N -1.06 -1.01 -4.02 0.00 5.15 -0.60 -5.03 115.26 108.69 3bjs n ASN 156 Ca 0.09 -0.91 -0.18 0.00 -0.60 0.00 0.00 54.58 52.99 3bjs n ASN 156 Cb 0.34 -3.56 -0.14 0.00 -0.53 0.00 0.00 39.78 35.89 3bjs n ASN 156 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3bjs s MET 157 N -6.30 0.68 0.75 1.20 -1.94 -0.25 -4.92 119.30 108.52 3bjs s MET 157 Ca 0.06 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.55 3bjs s MET 157 Cb -0.03 -0.65 0.05 0.00 2.01 0.00 0.00 34.83 36.22 3bjs s MET 157 CO 0.85 0.17 1.12 -1.25 -0.01 0.00 0.00 175.02 175.91 3bjs s PRO 158 N -0.37 2.22 0.37 2.03 0.04 -1.26 -1.59 135.00 136.44 3bjs s PRO 158 Ca 0.02 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.49 3bjs s PRO 158 Cb -0.04 -1.88 0.73 0.00 0.04 0.00 0.00 34.50 33.35 3bjs s PRO 158 CO -0.00 -1.70 1.98 1.25 0.04 0.00 0.00 177.00 178.57 3bjs h LEU 159 N -0.76 0.50 -1.52 -3.56 5.85 -1.38 -1.12 115.31 113.32 3bjs h LEU 159 Ca -0.45 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3bjs h LEU 159 Cb 1.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3bjs h LEU 159 CO 0.50 0.45 0.11 0.10 -0.34 0.00 0.00 178.44 179.26 3bjs h TYR 160 N 0.56 0.42 0.08 1.25 -0.00 -1.86 -1.13 116.97 116.29 3bjs h TYR 160 Ca 0.14 -0.01 -0.26 0.00 0.00 0.00 0.00 58.73 58.60 3bjs h TYR 160 Cb 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 36.73 36.70 3bjs h TYR 160 CO 0.00 0.35 -1.13 1.49 -0.00 0.00 0.00 178.16 178.87 3bjs h GLU 161 N 0.42 0.36 -0.24 0.10 4.81 -1.43 0.29 114.58 118.90 3bjs h GLU 161 Ca 0.11 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 3bjs h GLU 161 Cb 0.11 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3bjs h GLU 161 CO -0.01 1.19 -0.19 1.25 -0.73 0.00 0.00 179.01 180.52 3bjs h LEU 162 N 0.15 0.41 0.00 1.64 6.46 -0.91 -2.89 115.31 120.17 3bjs h LEU 162 Ca -0.12 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3bjs h LEU 162 Cb 1.81 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 3bjs h LEU 162 CO 0.19 0.62 -0.40 0.18 -0.62 0.00 0.00 178.44 178.41 3bjs n LEU 163 N -4.17 0.45 0.00 2.25 4.77 -0.46 -4.95 117.00 114.88 3bjs n LEU 163 Ca -0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3bjs n LEU 163 Cb 0.35 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3bjs n LEU 163 CO 0.40 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3bjs n GLY 164 N 1.46 0.94 0.00 -0.72 0.00 -1.02 -5.00 105.19 100.84 3bjs n GLY 164 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3bjs n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 165 N -1.59 1.36 3.41 -0.02 0.00 0.98 -4.99 105.19 104.34 3bjs n GLY 165 Ca 0.00 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 3bjs n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjs s SER 166 N -1.00 2.18 -0.56 1.61 1.04 -1.26 -4.31 113.70 111.40 3bjs s SER 166 Ca 0.00 -1.32 -0.27 0.00 0.48 0.00 0.00 55.95 54.84 3bjs s SER 166 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3bjs s SER 166 CO 0.00 -0.56 1.59 -0.75 0.98 0.00 0.00 173.24 174.50 3bjs s LYS 167 N -3.88 3.09 0.17 4.02 2.20 -1.26 -4.69 119.74 119.39 3bjs s LYS 167 Ca 0.34 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.56 3bjs s LYS 167 Cb 0.07 -4.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 3bjs s LYS 167 CO 0.13 -2.19 -0.08 -0.98 -0.36 0.00 0.00 175.35 171.88 3bjs s ARG 168 N 6.01 1.13 -0.36 4.03 1.70 -1.26 -5.06 118.95 125.14 3bjs s ARG 168 Ca 0.59 -1.51 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 3bjs s ARG 168 Cb -0.13 -0.62 0.02 0.00 -0.57 0.00 0.00 34.95 33.65 3bjs s ARG 168 CO 0.24 0.03 1.11 1.03 -1.08 0.00 0.00 175.30 176.63 3bjs s ARG 169 N -3.78 3.96 -0.23 3.89 1.81 -1.26 -4.59 118.95 118.75 3bjs s ARG 169 Ca 0.20 0.95 -0.06 0.00 -1.72 0.00 0.00 55.73 55.10 3bjs s ARG 169 Cb 0.03 -3.80 -0.02 0.00 -0.45 0.00 0.00 34.95 30.71 3bjs s ARG 169 CO 0.03 -1.05 0.03 0.42 -0.68 0.00 0.00 175.30 174.04 3bjs s ILE 170 N 3.94 3.98 0.52 1.52 1.01 -0.49 -4.85 121.20 126.83 3bjs s ILE 170 Ca 0.47 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 3bjs s ILE 170 Cb -0.11 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 3bjs s ILE 170 CO 0.20 0.38 1.40 -2.65 0.00 0.00 0.00 174.94 174.27 3bjs n PRO 171 N 4.76 1.89 -4.13 2.79 -0.02 -1.26 -0.61 135.00 138.42 3bjs n PRO 171 Ca -0.17 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 3bjs n PRO 171 Cb 0.51 -2.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 3bjs n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bjs s ALA 172 N -1.25 0.93 0.17 3.55 0.00 -0.73 -0.81 121.76 123.62 3bjs s ALA 172 Ca 0.68 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.84 3bjs s ALA 172 Cb -0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3bjs s ALA 172 CO 0.52 0.08 -0.24 1.52 0.00 0.00 0.00 175.76 177.65 3bjs s TYR 173 N -1.35 2.21 -0.43 0.00 -0.85 -0.93 -4.32 117.35 111.68 3bjs s TYR 173 Ca -0.05 -0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 55.84 3bjs s TYR 173 Cb -0.10 -1.12 0.00 0.00 0.38 0.00 0.00 41.96 41.12 3bjs s TYR 173 CO 0.01 0.44 1.54 0.00 -1.52 0.00 0.00 175.55 176.01 3bjs s ALA 174 N -1.59 2.91 0.00 9.51 0.00 -0.87 -1.81 121.76 129.91 3bjs s ALA 174 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3bjs s ALA 174 Cb -0.08 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3bjs s ALA 174 CO 0.08 -2.64 0.00 0.41 0.00 0.00 0.00 175.76 173.62 3bjs n GLY 175 N 5.24 3.13 7.00 0.00 0.00 0.55 -1.15 105.19 119.95 3bjs n GLY 175 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3bjs n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 176 N 3.11 0.24 2.72 -0.02 0.00 -1.24 -3.68 105.19 106.32 3bjs n GLY 176 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3bjs n GLY 176 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bjs n ILE 177 N 0.00 4.78 -4.24 -0.61 2.08 -1.26 -4.90 119.36 115.21 3bjs n ILE 177 Ca 0.00 -4.48 -0.14 0.00 0.56 0.00 0.00 62.75 58.68 3bjs n ILE 177 Cb 0.00 -2.22 -0.10 0.00 -0.75 0.00 0.00 39.64 36.57 3bjs n ILE 177 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3bjs s ALA 178 N -0.47 1.41 -1.49 -1.39 0.00 -1.24 -4.63 121.76 113.95 3bjs s ALA 178 Ca 0.45 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 3bjs s ALA 178 Cb 0.13 1.37 0.07 0.00 0.00 0.00 0.00 23.12 24.69 3bjs s ALA 178 CO -0.03 -0.59 0.96 1.28 0.00 0.00 0.00 175.76 177.38 3bjs n LEU 179 N -0.38 -2.70 0.00 0.00 4.77 -1.26 -4.68 117.00 112.75 3bjs n LEU 179 Ca 0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3bjs n LEU 179 Cb 0.65 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 3bjs n LEU 179 CO 0.33 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3bjs n GLY 180 N -1.70 -0.79 3.66 -0.72 0.00 -1.26 -2.13 105.19 102.25 3bjs n GLY 180 Ca -0.01 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3bjs n GLY 180 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 181 N -0.15 3.05 0.15 1.61 4.12 -0.73 -4.82 117.35 120.58 3bjs s TYR 181 Ca 0.00 1.19 -0.24 0.00 0.02 0.00 0.00 57.07 58.04 3bjs s TYR 181 Cb 0.00 -3.41 0.06 0.00 -1.52 0.00 0.00 41.96 37.09 3bjs s TYR 181 CO 0.00 -1.23 0.76 1.14 0.02 0.00 0.00 175.55 176.24 3bjs s GLN 182 N 3.31 1.30 0.31 -0.62 -2.07 -1.26 -4.69 119.66 115.93 3bjs s GLN 182 Ca 0.51 -0.60 -0.27 0.00 -1.82 0.00 0.00 55.36 53.18 3bjs s GLN 182 Cb -0.19 0.52 -0.14 0.00 -1.09 0.00 0.00 33.01 32.11 3bjs s GLN 182 CO 0.12 -0.58 0.93 -2.30 -1.32 0.00 0.00 175.29 172.14 3bjs n PRO 183 N -0.39 1.18 0.09 9.60 -0.02 -1.26 -4.74 135.00 139.47 3bjs n PRO 183 Ca -0.10 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3bjs n PRO 183 Cb 0.62 -1.77 0.61 0.00 -0.02 0.00 0.00 33.50 32.94 3bjs n PRO 183 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3bjs h LYS 184 N 1.76 0.12 -0.04 -0.52 2.10 -1.95 -1.25 116.57 116.79 3bjs h LYS 184 Ca -0.39 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.03 3bjs h LYS 184 Cb 1.35 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.66 3bjs h LYS 184 CO 0.59 0.08 -0.89 1.05 -2.00 0.00 0.00 179.45 178.28 3bjs h GLU 185 N 0.12 0.52 -0.01 0.07 9.09 -1.97 -1.91 114.58 120.49 3bjs h GLU 185 Ca 0.14 -0.50 -0.13 0.00 0.05 0.00 0.00 59.36 58.92 3bjs h GLU 185 Cb 0.41 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 3bjs h GLU 185 CO -0.02 1.13 -0.62 0.77 0.05 0.00 0.00 179.01 180.33 3bjs h SER 186 N 0.32 0.04 0.39 3.06 0.02 -1.70 -2.42 113.55 113.26 3bjs h SER 186 Ca -0.07 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 3bjs h SER 186 Cb 1.51 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 3bjs h SER 186 CO 0.16 0.65 -0.69 0.25 -1.14 0.00 0.00 176.83 176.06 3bjs h LEU 187 N 0.03 0.31 -0.63 5.07 7.12 -1.24 -2.74 115.31 123.22 3bjs h LEU 187 Ca -0.01 -0.20 -0.13 0.00 0.13 0.00 0.00 57.88 57.67 3bjs h LEU 187 Cb 1.09 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 3bjs h LEU 187 CO 0.08 0.90 -0.35 0.00 -0.13 0.00 0.00 178.44 178.94 3bjs h ALA 188 N 1.10 0.81 -0.29 1.25 0.00 -1.22 -2.67 119.26 118.23 3bjs h ALA 188 Ca -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3bjs h ALA 188 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3bjs h ALA 188 CO 0.11 0.65 -0.37 0.93 0.00 0.00 0.00 179.25 180.56 3bjs h GLU 189 N 0.58 0.66 -0.45 0.00 5.08 -1.38 -1.43 114.58 117.64 3bjs h GLU 189 Ca 0.06 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 3bjs h GLU 189 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3bjs h GLU 189 CO 0.08 0.93 -0.14 1.49 -1.00 0.00 0.00 179.01 180.36 3bjs h GLU 190 N 0.55 0.84 -0.56 2.33 4.81 -1.49 -2.49 114.58 118.57 3bjs h GLU 190 Ca 0.05 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3bjs h GLU 190 Cb 0.89 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3bjs h GLU 190 CO 0.08 0.94 0.00 0.00 -0.73 0.00 0.00 179.01 179.30 3bjs h ALA 191 N 1.08 0.76 -0.40 2.92 0.00 -1.28 -2.95 119.26 119.39 3bjs h ALA 191 Ca 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3bjs h ALA 191 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3bjs h ALA 191 CO 0.05 0.59 0.10 1.96 0.00 0.00 0.00 179.25 181.94 3bjs h GLN 192 N 0.88 0.59 -0.44 0.00 4.20 -1.16 -2.45 115.11 116.74 3bjs h GLN 192 Ca 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3bjs h GLN 192 Cb 0.54 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3bjs h GLN 192 CO 0.03 0.54 0.16 1.49 -0.67 0.00 0.00 178.83 180.38 3bjs h GLU 193 N 0.58 0.63 0.03 1.46 4.81 -1.27 -2.11 114.58 118.71 3bjs h GLU 193 Ca 0.14 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 3bjs h GLU 193 Cb 0.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3bjs h GLU 193 CO -0.00 0.54 -1.01 1.88 -0.73 0.00 0.00 179.01 179.68 3bjs h TYR 194 N 0.63 0.56 -0.22 0.92 0.05 -1.36 -2.28 116.97 115.27 3bjs h TYR 194 Ca 0.15 -0.33 -0.14 0.00 0.05 0.00 0.00 58.73 58.46 3bjs h TYR 194 Cb 0.16 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3bjs h TYR 194 CO 0.01 1.17 -0.43 0.82 -1.05 0.00 0.00 178.16 178.68 3bjs h ILE 195 N 0.18 1.31 -0.09 -2.88 2.04 -1.44 -1.37 117.51 115.26 3bjs h ILE 195 Ca -0.09 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 3bjs h ILE 195 Cb 1.67 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3bjs h ILE 195 CO 0.17 0.51 0.05 0.00 0.00 0.00 0.00 178.15 178.87 3bjs h ALA 196 N 1.08 1.91 -0.04 1.87 0.00 -1.37 -0.71 119.26 122.00 3bjs h ALA 196 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bjs h ALA 196 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3bjs h ALA 196 CO 0.08 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3bjs n ARG 197 N -4.51 1.37 0.00 0.00 1.74 -0.84 -4.93 116.66 109.49 3bjs n ARG 197 Ca -0.02 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 3bjs n ARG 197 Cb 0.09 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3bjs n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bjs n GLY 198 N 1.05 0.61 3.72 -0.13 0.00 -0.27 -4.89 105.19 105.27 3bjs n GLY 198 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3bjs n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 199 N -2.00 3.34 -2.76 1.61 1.51 -0.58 -3.68 117.35 114.80 3bjs s TYR 199 Ca 0.00 1.15 0.24 0.00 -1.01 0.00 0.00 57.07 57.46 3bjs s TYR 199 Cb 0.00 -3.55 0.31 0.00 -0.11 0.00 0.00 41.96 38.61 3bjs s TYR 199 CO 0.00 -1.80 1.32 1.63 -1.11 0.00 0.00 175.55 175.59 3bjs n LYS 200 N 3.73 2.04 -3.77 -0.62 4.01 -1.26 -4.22 118.16 118.06 3bjs n LYS 200 Ca 0.09 -1.62 -0.13 0.00 -0.51 0.00 0.00 58.31 56.15 3bjs n LYS 200 Cb 0.44 -1.47 -0.08 0.00 -0.51 0.00 0.00 35.03 33.41 3bjs n LYS 200 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3bjs s ALA 201 N -2.08 -0.70 0.04 7.82 0.00 -1.26 -1.83 121.76 123.76 3bjs s ALA 201 Ca 0.28 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 3bjs s ALA 201 Cb 0.20 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3bjs s ALA 201 CO 0.35 -0.30 0.36 -0.48 0.00 0.00 0.00 175.76 175.69 3bjs s LEU 202 N -1.55 0.64 -0.32 0.00 0.05 -0.94 -2.05 118.68 114.51 3bjs s LEU 202 Ca -0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 54.13 53.96 3bjs s LEU 202 Cb -0.04 1.55 0.07 0.00 -2.05 0.00 0.00 46.19 45.71 3bjs s LEU 202 CO 0.02 -0.64 0.02 -0.75 -0.55 0.00 0.00 176.35 174.45 3bjs s LYS 203 N -2.53 2.24 0.11 1.48 2.20 -0.30 -0.17 119.74 122.77 3bjs s LYS 203 Ca -0.05 -1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 53.83 3bjs s LYS 203 Cb -0.01 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 3bjs s LYS 203 CO -0.03 -0.72 1.11 -0.51 -0.36 0.00 0.00 175.35 174.84 3bjs s LEU 204 N 1.18 4.44 -0.29 5.43 1.02 0.75 -4.78 118.68 126.42 3bjs s LEU 204 Ca -0.02 1.99 -0.25 0.00 0.02 0.00 0.00 54.13 55.88 3bjs s LEU 204 Cb -0.20 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.42 3bjs s LEU 204 CO -0.03 -0.29 0.86 -0.13 0.02 0.00 0.00 176.35 176.77 3bjs s ARG 205 N 0.28 4.04 0.46 1.70 1.81 -0.91 -1.75 118.95 124.58 3bjs s ARG 205 Ca 0.52 0.78 0.04 0.00 -1.72 0.00 0.00 55.73 55.35 3bjs s ARG 205 Cb -0.28 -3.71 -0.05 0.00 -0.45 0.00 0.00 34.95 30.47 3bjs s ARG 205 CO 0.32 -0.68 0.02 0.96 -0.68 0.00 0.00 175.30 175.24 3bjs s ILE 206 N 3.06 1.62 0.00 1.52 -4.36 0.16 -4.64 121.20 118.56 3bjs s ILE 206 Ca 0.36 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3bjs s ILE 206 Cb -0.14 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.97 3bjs s ILE 206 CO 0.12 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.91 3bjs n GLY 207 N -1.13 1.41 0.12 6.27 0.00 -1.26 -4.00 105.19 106.60 3bjs n GLY 207 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 3bjs n GLY 207 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3bjs h ASP 208 N 0.00 0.29 -4.20 1.61 2.03 -1.92 -3.43 116.42 110.80 3bjs h ASP 208 Ca 0.00 -0.80 -0.11 0.00 -0.73 0.00 0.00 57.03 55.40 3bjs h ASP 208 Cb 0.00 -0.09 -0.23 0.00 -0.83 0.00 0.00 39.33 38.18 3bjs h ASP 208 CO 0.00 1.68 -0.17 0.00 -1.03 0.00 0.00 179.24 179.72 3bjs s ALA 209 N -2.48 -1.11 0.13 4.15 0.00 -1.26 -5.07 121.76 116.12 3bjs s ALA 209 Ca -0.23 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 3bjs s ALA 209 Cb 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3bjs s ALA 209 CO 0.72 -0.24 1.66 0.00 0.00 0.00 0.00 175.76 177.90 3bjs h ALA 210 N 4.93 -0.10 -0.25 0.00 0.00 -1.93 -2.49 119.26 119.42 3bjs h ALA 210 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3bjs h ALA 210 Cb 1.17 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3bjs h ALA 210 CO 0.27 -0.62 0.16 -0.09 0.00 0.00 0.00 179.25 178.97 3bjs h ARG 211 N -0.21 0.34 -0.37 0.00 2.43 -1.98 -0.75 114.38 113.84 3bjs h ARG 211 Ca 0.09 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3bjs h ARG 211 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3bjs h ARG 211 CO -0.25 0.23 -0.26 -0.39 -1.51 0.00 0.00 179.97 177.79 3bjs h VAL 212 N 0.34 1.27 -0.00 0.20 -1.51 -1.97 -1.76 116.25 112.83 3bjs h VAL 212 Ca 0.09 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 3bjs h VAL 212 Cb -0.03 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3bjs h VAL 212 CO -0.02 0.46 -0.36 -0.90 -1.23 0.00 0.00 177.57 175.52 3bjs n ASP 213 N -4.09 0.58 -0.04 4.19 5.68 -0.95 -0.90 116.55 121.01 3bjs n ASP 213 Ca -0.00 -0.37 -0.14 0.00 -0.50 0.00 0.00 54.79 53.78 3bjs n ASP 213 Cb 0.46 0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 3bjs n ASP 213 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3bjs h ILE 214 N 0.34 1.40 -0.76 2.12 2.04 -0.99 -2.45 117.51 119.21 3bjs h ILE 214 Ca 0.00 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.34 3bjs h ILE 214 Cb 0.49 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3bjs h ILE 214 CO 0.00 0.44 0.49 -0.08 0.00 0.00 0.00 178.15 179.00 3bjs h GLU 215 N -0.14 1.00 -0.12 2.37 4.81 -1.20 -1.84 114.58 119.47 3bjs h GLU 215 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3bjs h GLU 215 Cb 0.81 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 3bjs h GLU 215 CO 0.05 0.68 -0.03 0.00 -0.73 0.00 0.00 179.01 178.97 3bjs h ARG 216 N 1.03 0.22 -0.48 1.92 3.08 -1.12 -2.89 114.38 116.14 3bjs h ARG 216 Ca 0.28 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 3bjs h ARG 216 Cb -0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3bjs h ARG 216 CO -0.06 0.53 0.09 0.28 -1.07 0.00 0.00 179.97 179.74 3bjs h VAL 217 N -0.09 1.21 -0.42 2.04 2.07 -1.35 -2.52 116.25 117.20 3bjs h VAL 217 Ca 0.03 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 3bjs h VAL 217 Cb 0.44 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3bjs h VAL 217 CO 0.01 0.29 -0.30 0.03 0.02 0.00 0.00 177.57 177.62 3bjs h ARG 218 N 0.70 0.92 -0.14 1.57 3.08 -1.38 -3.06 114.38 116.07 3bjs h ARG 218 Ca 0.15 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 3bjs h ARG 218 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3bjs h ARG 218 CO 0.00 1.09 -0.45 1.25 -1.07 0.00 0.00 179.97 180.79 3bjs h HIS 219 N 0.77 0.40 -0.15 3.04 2.76 -1.28 -2.51 115.15 118.19 3bjs h HIS 219 Ca 0.08 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 3bjs h HIS 219 Cb 0.87 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 3bjs h HIS 219 CO 0.05 0.73 -0.14 0.28 -1.30 0.00 0.00 177.93 177.55 3bjs h VAL 220 N 0.27 1.35 -0.79 5.26 2.07 -1.46 -2.22 116.25 120.73 3bjs h VAL 220 Ca 0.02 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.36 3bjs h VAL 220 Cb 0.90 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 3bjs h VAL 220 CO 0.07 0.38 0.52 0.03 0.02 0.00 0.00 177.57 178.60 3bjs h ARG 221 N -0.02 0.61 -0.52 1.57 2.47 -1.54 -1.95 114.38 115.01 3bjs h ARG 221 Ca 0.02 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 3bjs h ARG 221 Cb 0.67 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 3bjs h ARG 221 CO 0.04 0.40 -0.02 -0.22 0.56 0.00 0.00 179.97 180.73 3bjs h LYS 222 N 0.63 0.93 0.00 0.04 3.64 -1.17 -2.48 116.57 118.15 3bjs h LYS 222 Ca 0.38 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3bjs h LYS 222 Cb 0.60 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3bjs h LYS 222 CO -0.15 0.96 -0.84 1.33 -2.27 0.00 0.00 179.45 178.48 3bjs n VAL 223 N -4.28 0.28 0.41 2.00 0.24 -0.86 -4.24 118.33 111.89 3bjs n VAL 223 Ca 0.01 -0.28 0.06 0.00 -2.04 0.00 0.00 64.34 62.09 3bjs n VAL 223 Cb 0.34 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 3bjs n VAL 223 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3bjs n LEU 224 N -2.08 0.41 -0.22 1.34 4.77 -0.76 -5.08 117.00 115.39 3bjs n LEU 224 Ca 0.02 -0.36 0.03 0.00 -0.03 0.00 0.00 56.01 55.68 3bjs n LEU 224 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3bjs n LEU 224 CO 0.38 0.10 -0.05 0.61 -1.33 0.00 0.00 177.39 177.11 3bjs n GLY 225 N 1.43 -1.56 2.48 -0.72 0.00 -0.94 -4.50 105.19 101.38 3bjs n GLY 225 Ca 0.01 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 3bjs n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bjs n ASP 226 N -1.86 7.65 -0.00 1.61 5.68 -1.26 -4.11 116.55 124.26 3bjs n ASP 226 Ca -0.00 -3.79 0.03 0.00 -0.50 0.00 0.00 54.79 50.53 3bjs n ASP 226 Cb 0.10 -1.01 -0.04 0.00 -1.14 0.00 0.00 41.12 39.03 3bjs n ASP 226 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bjs n GLU 227 N -0.80 3.47 -3.65 0.11 -0.58 -1.26 -4.99 120.64 112.95 3bjs n GLU 227 Ca 0.60 -0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.96 3bjs n GLU 227 Cb 0.55 -0.92 -0.09 0.00 -0.57 0.00 0.00 31.44 30.41 3bjs n GLU 227 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3bjs s VAL 228 N -1.89 5.36 -0.80 2.62 1.01 -1.26 -4.96 120.40 120.47 3bjs s VAL 228 Ca 0.01 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 3bjs s VAL 228 Cb 0.05 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3bjs s VAL 228 CO 0.29 0.37 1.72 -0.62 0.00 0.00 0.00 175.10 176.87 3bjs s ASP 229 N 0.81 5.58 -0.29 3.32 3.68 -0.76 -4.95 116.67 124.06 3bjs s ASP 229 Ca 0.09 -0.45 -0.27 0.00 2.13 0.00 0.00 52.55 54.05 3bjs s ASP 229 Cb -0.13 -2.55 0.01 0.00 -1.45 0.00 0.00 42.92 38.80 3bjs s ASP 229 CO 0.03 -2.27 0.97 -0.63 0.13 0.00 0.00 175.17 173.40 3bjs s ILE 230 N 8.17 4.65 0.16 4.11 1.01 -1.26 -2.22 121.20 135.83 3bjs s ILE 230 Ca 0.59 1.64 0.05 0.00 0.00 0.00 0.00 60.65 62.94 3bjs s ILE 230 Cb -0.08 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3bjs s ILE 230 CO 0.07 -0.31 0.10 -0.76 0.00 0.00 0.00 174.94 174.04 3bjs s LEU 231 N 3.29 3.68 0.04 2.97 1.43 0.76 -1.55 118.68 129.31 3bjs s LEU 231 Ca 0.41 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 3bjs s LEU 231 Cb -0.14 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3bjs s LEU 231 CO 0.12 0.08 -0.16 0.42 0.23 0.00 0.00 176.35 177.04 3bjs s THR 232 N -1.72 1.28 -0.06 5.49 -4.23 -1.00 -0.18 115.64 115.23 3bjs s THR 232 Ca 0.30 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3bjs s THR 232 Cb -0.10 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.62 3bjs s THR 232 CO 0.22 0.06 0.02 -0.62 -0.54 0.00 0.00 174.62 173.76 3bjs s ASP 233 N -1.16 1.34 0.06 3.99 -1.08 -0.72 -0.51 116.67 118.59 3bjs s ASP 233 Ca 0.03 -0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.27 3bjs s ASP 233 Cb -0.08 -0.33 0.31 0.00 -1.46 0.00 0.00 42.92 41.35 3bjs s ASP 233 CO 0.01 -0.20 1.26 0.00 0.52 0.00 0.00 175.17 176.77 3bjs n ALA 234 N 5.07 3.28 -3.83 3.66 0.00 -0.22 -0.67 120.51 127.80 3bjs n ALA 234 Ca -0.08 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 3bjs n ALA 234 Cb 0.50 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.86 3bjs n ALA 234 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bjs n ASN 235 N -1.87 -2.29 -1.54 0.00 3.02 -1.04 -2.72 115.26 108.82 3bjs n ASN 235 Ca 0.04 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.40 3bjs n ASN 235 Cb 0.40 -3.23 -0.07 0.00 -0.61 0.00 0.00 39.78 36.27 3bjs n ASN 235 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bjs n THR 236 N -4.33 -0.16 0.43 3.41 -2.24 0.83 -3.73 114.28 108.49 3bjs n THR 236 Ca -0.23 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 3bjs n THR 236 Cb 0.65 -1.98 -0.10 0.00 -2.10 0.00 0.00 70.33 66.80 3bjs n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bjs n ALA 237 N 0.75 3.40 -1.80 6.98 0.00 -1.10 -4.14 120.51 124.59 3bjs n ALA 237 Ca -0.19 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 3bjs n ALA 237 Cb 0.62 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 3bjs n ALA 237 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3bjs s TYR 238 N -2.63 3.32 0.63 0.00 4.12 -0.44 -4.98 117.35 117.37 3bjs s TYR 238 Ca 0.01 1.64 0.05 0.00 0.02 0.00 0.00 57.07 58.80 3bjs s TYR 238 Cb 0.10 -2.96 0.10 0.00 -1.52 0.00 0.00 41.96 37.69 3bjs s TYR 238 CO 0.61 -0.28 0.87 0.95 0.02 0.00 0.00 175.55 177.72 3bjs s THR 239 N -1.93 2.16 0.23 -0.71 -4.23 -1.26 -4.56 115.64 105.33 3bjs s THR 239 Ca 0.60 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 60.26 3bjs s THR 239 Cb -0.15 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3bjs s THR 239 CO 0.19 0.00 1.61 -0.03 -0.54 0.00 0.00 174.62 175.85 3bjs h MET 240 N -0.10 0.59 -0.66 3.99 4.05 -1.97 -2.30 114.93 118.52 3bjs h MET 240 Ca -0.33 -0.28 -0.03 0.00 -0.28 0.00 0.00 59.70 58.78 3bjs h MET 240 Cb 1.28 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 3bjs h MET 240 CO 0.40 0.86 0.29 0.00 0.23 0.00 0.00 176.91 178.70 3bjs h ALA 241 N 1.11 1.26 -0.49 0.39 0.00 -2.00 -2.12 119.26 117.42 3bjs h ALA 241 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3bjs h ALA 241 Cb 0.85 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3bjs h ALA 241 CO 0.07 0.55 0.11 -0.44 0.00 0.00 0.00 179.25 179.54 3bjs h ASP 242 N 0.95 0.76 -0.50 0.00 3.45 -1.92 -3.29 116.42 115.88 3bjs h ASP 242 Ca 0.23 -0.24 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 3bjs h ASP 242 Cb 0.14 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 3bjs h ASP 242 CO -0.02 0.81 0.21 0.00 -1.57 0.00 0.00 179.24 178.66 3bjs h ALA 243 N 0.98 0.65 0.00 3.45 0.00 -0.89 -1.29 119.26 122.16 3bjs h ALA 243 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bjs h ALA 243 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bjs h ALA 243 CO 0.00 0.25 0.00 2.89 0.00 0.00 0.00 179.25 182.39 3bjs n ARG 244 N -4.56 0.07 -0.07 0.00 1.85 -0.84 -0.70 116.66 112.40 3bjs n ARG 244 Ca 0.02 0.20 -0.19 0.00 -1.00 0.00 0.00 57.85 56.87 3bjs n ARG 244 Cb 0.15 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.93 3bjs n ARG 244 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3bjs n ARG 245 N -1.43 0.70 0.07 2.89 0.63 -0.96 -4.60 116.66 113.95 3bjs n ARG 245 Ca 0.05 0.20 -0.22 0.00 -0.92 0.00 0.00 57.85 56.96 3bjs n ARG 245 Cb 0.17 -1.60 -0.15 0.00 0.45 0.00 0.00 32.46 31.33 3bjs n ARG 245 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3bjs h VAL 246 N 0.03 1.25 -0.91 5.15 2.07 -0.75 -3.38 116.25 119.71 3bjs h VAL 246 Ca -0.51 -2.55 0.13 0.00 0.82 0.00 0.00 66.70 64.59 3bjs h VAL 246 Cb 1.96 2.98 -0.09 0.00 -1.52 0.00 0.00 31.29 34.63 3bjs h VAL 246 CO -0.01 0.76 0.53 -0.07 0.02 0.00 0.00 177.57 178.80 3bjs h LEU 247 N -0.14 0.72 -1.28 2.57 -0.00 -1.17 -1.73 115.31 114.28 3bjs h LEU 247 Ca -0.24 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 57.71 3bjs h LEU 247 Cb 1.89 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 42.45 3bjs h LEU 247 CO 0.17 0.35 0.48 -0.65 -0.00 0.00 0.00 178.44 178.80 3bjs h PRO 248 N 0.80 0.96 0.00 1.13 0.11 -1.81 -1.74 132.00 131.45 3bjs h PRO 248 Ca 0.47 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 3bjs h PRO 248 Cb 0.56 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3bjs h PRO 248 CO -0.31 0.64 -0.54 -0.39 -0.21 0.00 0.00 178.00 177.19 3bjs h VAL 249 N 0.99 1.09 -0.28 3.15 -1.51 -1.56 -1.56 116.25 116.56 3bjs h VAL 249 Ca 0.27 -2.09 -0.15 0.00 -1.23 0.00 0.00 66.70 63.50 3bjs h VAL 249 Cb -0.11 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 3bjs h VAL 249 CO -0.06 0.53 -0.45 -0.07 -1.23 0.00 0.00 177.57 176.30 3bjs h LEU 250 N 0.00 0.77 -0.73 4.19 4.07 -1.11 -0.50 115.31 121.99 3bjs h LEU 250 Ca -0.01 -0.37 -0.12 0.00 0.08 0.00 0.00 57.88 57.47 3bjs h LEU 250 Cb 1.19 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 3bjs h LEU 250 CO 0.07 1.10 -0.32 0.00 -1.08 0.00 0.00 178.44 178.21 3bjs h ALA 251 N 0.93 0.91 -0.41 1.53 0.00 -1.22 0.13 119.26 121.12 3bjs h ALA 251 Ca 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3bjs h ALA 251 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3bjs h ALA 251 CO 0.09 0.62 0.18 1.49 0.00 0.00 0.00 179.25 181.63 3bjs h GLU 252 N 0.52 0.61 -0.04 0.00 4.81 -1.09 -2.66 114.58 116.73 3bjs h GLU 252 Ca 0.06 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3bjs h GLU 252 Cb 0.81 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3bjs h GLU 252 CO 0.07 0.56 0.00 0.44 -0.73 0.00 0.00 179.01 179.34 3bjs n ILE 253 N -4.65 0.04 -3.67 2.32 -6.64 -0.21 -4.96 119.36 101.58 3bjs n ILE 253 Ca 0.00 -0.18 -0.25 0.00 -1.77 0.00 0.00 62.75 60.55 3bjs n ILE 253 Cb 0.13 0.15 0.03 0.00 -1.44 0.00 0.00 39.64 38.51 3bjs n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3bjs n GLN 254 N -0.18 -2.86 -2.25 6.28 6.02 -0.14 -4.96 117.38 119.28 3bjs n GLN 254 Ca 0.19 0.55 -0.37 0.00 -0.01 0.00 0.00 57.00 57.37 3bjs n GLN 254 Cb 0.26 -4.74 -0.01 0.00 1.02 0.00 0.00 30.24 26.78 3bjs n GLN 254 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bjs s ALA 255 N -3.60 2.90 0.18 -1.58 0.00 -0.19 -4.76 121.76 114.72 3bjs s ALA 255 Ca 0.25 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3bjs s ALA 255 Cb -0.08 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.75 3bjs s ALA 255 CO 0.83 -0.70 1.57 0.78 0.00 0.00 0.00 175.76 178.25 3bjs h GLY 256 N 1.83 0.93 -3.15 0.00 0.00 -1.63 -3.44 103.07 97.60 3bjs h GLY 256 Ca -0.50 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.03 3bjs h GLY 256 CO 0.59 0.77 0.34 0.66 0.00 0.00 0.00 176.54 178.91 3bjs s TRP 257 N -4.54 -0.44 -0.35 5.60 -2.14 -1.26 -4.40 118.94 111.40 3bjs s TRP 257 Ca -0.10 0.27 -0.10 0.00 2.66 0.00 0.00 56.10 58.82 3bjs s TRP 257 Cb 0.12 0.55 0.02 0.00 -3.10 0.00 0.00 33.47 31.06 3bjs s TRP 257 CO 0.86 -0.71 0.18 -1.17 -2.66 0.00 0.00 176.95 173.44 3bjs s LEU 258 N -2.63 4.50 -0.12 -4.66 2.96 -0.70 -2.37 118.68 115.66 3bjs s LEU 258 Ca 0.03 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 52.89 3bjs s LEU 258 Cb -0.01 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3bjs s LEU 258 CO -0.11 -0.32 0.49 -0.70 -1.32 0.00 0.00 176.35 174.39 3bjs s GLU 259 N 1.56 4.34 -0.87 1.98 2.12 0.33 -0.36 118.70 127.80 3bjs s GLU 259 Ca 0.02 0.48 -0.05 0.00 0.36 0.00 0.00 54.97 55.79 3bjs s GLU 259 Cb -0.19 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3bjs s GLU 259 CO 0.06 0.14 0.63 0.39 -0.54 0.00 0.00 175.26 175.94 3bjs n GLU 260 N 3.71 -1.36 0.20 4.30 1.02 0.67 -1.05 120.64 128.13 3bjs n GLU 260 Ca -0.07 0.75 0.08 0.00 -0.02 0.00 0.00 57.16 57.90 3bjs n GLU 260 Cb 0.52 -2.75 0.35 0.00 -0.02 0.00 0.00 31.44 29.54 3bjs n GLU 260 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3bjs h PRO 261 N -0.53 0.00 -5.03 3.49 0.13 -1.83 0.24 132.00 128.47 3bjs h PRO 261 Ca -0.58 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 63.99 3bjs h PRO 261 Cb 1.36 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 3bjs h PRO 261 CO 0.38 0.29 -0.51 -0.06 -0.23 0.00 0.00 178.00 177.88 3bjs s PHE 262 N -3.51 1.78 0.59 1.56 0.40 -1.26 -1.33 117.98 116.20 3bjs s PHE 262 Ca 0.01 -1.31 -0.19 0.00 -0.60 0.00 0.00 56.93 54.84 3bjs s PHE 262 Cb 0.10 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 3bjs s PHE 262 CO 0.67 -0.34 1.07 0.00 0.70 0.00 0.00 175.22 177.32 3bjs n ALA 263 N -0.90 0.50 0.21 5.36 0.00 -1.26 -4.23 120.51 120.19 3bjs n ALA 263 Ca -0.05 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3bjs n ALA 263 Cb 0.65 -2.17 0.69 0.00 0.00 0.00 0.00 19.45 18.61 3bjs n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bjs n ASN 265 N -4.40 3.30 -3.90 0.00 0.23 -1.26 -4.80 115.26 104.42 3bjs n ASN 265 Ca -0.00 -1.97 -0.42 0.00 -0.53 0.00 0.00 54.58 51.65 3bjs n ASN 265 Cb 0.21 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3bjs n ASN 265 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3bjs n ASP 266 N 1.40 4.21 -0.01 0.53 -0.08 -0.54 -4.77 116.55 117.28 3bjs n ASP 266 Ca 0.19 -2.89 -0.02 0.00 -1.51 0.00 0.00 54.79 50.57 3bjs n ASP 266 Cb 0.59 -1.65 0.25 0.00 2.34 0.00 0.00 41.12 42.65 3bjs n ASP 266 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 3bjs h PHE 267 N 6.26 0.57 0.01 -0.67 -5.15 -1.87 -2.54 116.94 113.56 3bjs h PHE 267 Ca 0.53 -0.08 -0.22 0.00 -0.20 0.00 0.00 57.97 58.00 3bjs h PHE 267 Cb 0.68 -0.16 -0.03 0.00 0.22 0.00 0.00 35.95 36.67 3bjs h PHE 267 CO 1.42 0.61 -1.02 0.00 -2.00 0.00 0.00 178.31 177.32 3bjs h ALA 268 N 1.42 0.33 -0.14 12.09 0.00 -2.00 -2.83 119.26 128.13 3bjs h ALA 268 Ca 0.10 -0.91 -0.20 0.00 0.00 0.00 0.00 54.91 53.89 3bjs h ALA 268 Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3bjs h ALA 268 CO 0.02 1.23 -0.73 0.77 0.00 0.00 0.00 179.25 180.54 3bjs h SER 269 N 0.01 0.76 -0.58 0.00 0.02 -1.95 -2.90 113.55 108.91 3bjs h SER 269 Ca -0.02 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 3bjs h SER 269 Cb 1.79 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.07 3bjs h SER 269 CO 0.14 1.26 0.27 1.88 -1.14 0.00 0.00 176.83 179.24 3bjs h TYR 270 N 0.45 0.88 0.00 3.45 -1.99 -1.39 -2.33 116.97 116.04 3bjs h TYR 270 Ca -0.04 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.59 3bjs h TYR 270 Cb 1.33 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 3bjs h TYR 270 CO 0.07 0.66 -0.29 0.07 -0.00 0.00 0.00 178.16 178.67 3bjs h ARG 271 N 0.87 0.00 0.00 4.88 0.11 -1.55 -3.33 114.38 115.36 3bjs h ARG 271 Ca 0.21 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.09 3bjs h ARG 271 Cb 0.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.18 3bjs h ARG 271 CO -0.02 0.29 -0.97 0.93 0.10 0.00 0.00 179.97 180.30 3bjs h GLU 272 N 0.00 0.00 0.00 0.08 4.39 -1.24 -3.29 114.58 114.51 3bjs h GLU 272 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3bjs h GLU 272 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3bjs h GLU 272 CO 0.04 0.87 -0.58 -0.39 -1.16 0.00 0.00 179.01 177.79 3bjs h VAL 273 N 0.00 1.41 -0.14 3.13 -1.51 -1.53 -3.10 116.25 114.51 3bjs h VAL 273 Ca -0.03 -1.98 0.04 0.00 -1.23 0.00 0.00 66.70 63.50 3bjs h VAL 273 Cb 1.72 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 32.94 3bjs h VAL 273 CO 0.11 0.56 0.14 0.00 -1.23 0.00 0.00 177.57 177.16 3bjs h ALA 274 N 1.42 1.80 0.00 5.19 0.00 -1.67 -0.54 119.26 125.47 3bjs h ALA 274 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bjs h ALA 274 Cb 1.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3bjs h ALA 274 CO 0.07 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.75 3bjs n LYS 275 N -3.95 0.06 -0.04 0.00 5.02 -1.17 -4.20 118.16 113.88 3bjs n LYS 275 Ca 0.00 0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3bjs n LYS 275 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3bjs n LYS 275 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3bjs h ILE 276 N 0.00 0.06 -3.27 -0.18 2.04 -1.25 -3.47 117.51 111.43 3bjs h ILE 276 Ca 0.00 -1.02 -0.22 0.00 1.00 0.00 0.00 64.86 64.62 3bjs h ILE 276 Cb 0.41 0.10 -0.30 0.00 -0.74 0.00 0.00 36.82 36.30 3bjs h ILE 276 CO 0.00 0.02 -0.57 0.28 0.00 0.00 0.00 178.15 177.88 3bjs s THR 277 N -1.65 -0.03 -1.80 -0.27 -1.32 -1.26 -5.02 115.64 104.29 3bjs s THR 277 Ca -0.01 0.12 0.30 0.00 -1.21 0.00 0.00 61.69 60.89 3bjs s THR 277 Cb -0.00 -0.25 0.59 0.00 -1.51 0.00 0.00 72.50 71.34 3bjs s THR 277 CO 0.03 0.05 1.97 -0.81 -2.21 0.00 0.00 174.62 173.65 3bjs n PRO 278 N 3.81 0.83 0.14 7.08 -0.04 -1.26 -4.05 135.00 141.51 3bjs n PRO 278 Ca -0.22 -0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.15 3bjs n PRO 278 Cb 0.54 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.69 3bjs n PRO 278 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3bjs h LEU 279 N 0.53 0.00 -7.58 1.53 3.38 -1.97 -3.42 115.31 107.78 3bjs h LEU 279 Ca 0.00 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.45 3bjs h LEU 279 Cb 0.27 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.65 3bjs h LEU 279 CO 0.00 0.02 -0.78 0.54 0.09 0.00 0.00 178.44 178.31 3bjs s VAL 280 N -3.21 0.64 0.62 1.22 0.11 -1.26 -4.90 120.40 113.63 3bjs s VAL 280 Ca 0.06 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 3bjs s VAL 280 Cb 0.09 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3bjs s VAL 280 CO 0.69 0.30 1.04 -2.16 -3.33 0.00 0.00 175.10 171.64 3bjs s PRO 281 N 1.80 3.35 0.00 1.54 0.04 -1.26 -4.84 135.00 135.63 3bjs s PRO 281 Ca 0.04 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 3bjs s PRO 281 Cb -0.12 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 3bjs s PRO 281 CO -0.06 -0.77 0.48 0.42 0.04 0.00 0.00 177.00 177.11 3bjs s ILE 282 N -2.87 4.96 -0.04 0.56 -1.09 -1.26 -1.71 121.20 119.74 3bjs s ILE 282 Ca 0.59 1.00 0.06 0.00 -2.23 0.00 0.00 60.65 60.07 3bjs s ILE 282 Cb -0.13 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3bjs s ILE 282 CO 0.47 0.52 -0.24 0.00 -1.23 0.00 0.00 174.94 174.46 3bjs s ALA 283 N -0.75 2.25 0.19 9.38 0.00 0.51 -2.65 121.76 130.68 3bjs s ALA 283 Ca 0.26 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 3bjs s ALA 283 Cb -0.17 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.32 3bjs s ALA 283 CO 0.15 0.47 0.61 0.00 0.00 0.00 0.00 175.76 176.99 3bjs s ALA 284 N -0.39 -1.45 0.00 0.00 0.00 -0.85 -0.24 121.76 118.83 3bjs s ALA 284 Ca 0.03 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3bjs s ALA 284 Cb -0.12 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3bjs s ALA 284 CO 0.02 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3bjs n GLY 285 N -0.39 0.57 0.24 0.00 0.00 -1.26 -1.21 105.19 103.14 3bjs n GLY 285 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3bjs n GLY 285 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bjs h GLU 286 N 0.00 0.55 -1.47 1.61 4.81 -1.78 -2.44 114.58 115.87 3bjs h GLU 286 Ca 0.00 -0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.51 3bjs h GLU 286 Cb 0.00 -0.12 -0.32 0.00 0.63 0.00 0.00 28.75 28.93 3bjs h GLU 286 CO 0.00 0.36 0.45 0.09 -0.73 0.00 0.00 179.01 179.19 3bjs n ASN 287 N -4.87 6.75 -4.02 1.04 3.02 -1.26 -4.64 115.26 111.28 3bjs n ASN 287 Ca 0.08 -3.79 -0.17 0.00 -0.03 0.00 0.00 54.58 50.67 3bjs n ASN 287 Cb 0.21 -0.84 -0.14 0.00 -0.61 0.00 0.00 39.78 38.39 3bjs n ASN 287 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3bjs s HIS 288 N -3.85 0.72 -0.03 3.10 3.76 -0.92 -4.85 115.29 113.22 3bjs s HIS 288 Ca 0.55 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 3bjs s HIS 288 Cb 0.45 -0.45 0.02 0.00 1.11 0.00 0.00 32.58 33.70 3bjs s HIS 288 CO -0.20 -0.02 -0.05 0.71 -0.85 0.00 0.00 174.74 174.33 3bjs s TYR 289 N -0.44 0.68 0.37 1.40 2.02 -1.26 -4.31 117.35 115.81 3bjs s TYR 289 Ca 0.01 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3bjs s TYR 289 Cb -0.04 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3bjs s TYR 289 CO 0.00 -0.14 0.00 0.25 -1.57 0.00 0.00 175.55 174.09 3bjs n THR 290 N 3.79 -0.38 0.48 -0.71 -2.24 0.13 -3.90 114.28 111.46 3bjs n THR 290 Ca -0.23 0.50 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 3bjs n THR 290 Cb 0.52 -0.82 0.45 0.00 -2.10 0.00 0.00 70.33 68.39 3bjs n THR 290 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3bjs n ARG 291 N -3.58 0.15 0.09 -0.78 1.85 -1.26 -3.18 116.66 109.96 3bjs n ARG 291 Ca -0.05 0.34 -0.18 0.00 -1.00 0.00 0.00 57.85 56.97 3bjs n ARG 291 Cb 0.44 -1.77 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 3bjs n ARG 291 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3bjs h PHE 292 N 0.00 0.74 -0.12 2.89 0.04 -1.99 -0.22 116.94 118.28 3bjs h PHE 292 Ca 0.00 -0.47 -0.17 0.00 2.80 0.00 0.00 57.97 60.13 3bjs h PHE 292 Cb 0.40 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3bjs h PHE 292 CO 0.00 1.32 -0.66 0.93 -0.60 0.00 0.00 178.31 179.30 3bjs h GLU 293 N 0.20 0.46 -0.08 1.51 5.08 -1.66 -2.71 114.58 117.39 3bjs h GLU 293 Ca -0.14 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 3bjs h GLU 293 Cb 1.83 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 3bjs h GLU 293 CO 0.21 0.96 -0.52 0.74 -1.00 0.00 0.00 179.01 179.40 3bjs h PHE 294 N 0.33 0.27 -0.27 4.33 0.04 -1.57 -2.89 116.94 117.17 3bjs h PHE 294 Ca -0.02 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 3bjs h PHE 294 Cb 1.21 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 3bjs h PHE 294 CO 0.04 0.69 -0.21 0.78 -0.60 0.00 0.00 178.31 179.01 3bjs h GLY 295 N 1.39 0.55 1.51 -1.45 0.00 -0.97 -0.78 103.07 103.32 3bjs h GLY 295 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3bjs h GLY 295 CO 0.08 0.39 -0.26 1.46 0.00 0.00 0.00 176.54 178.21 3bjs h GLN 296 N 0.45 0.57 0.00 4.80 4.20 -1.39 -2.63 115.11 121.11 3bjs h GLN 296 Ca 0.07 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3bjs h GLN 296 Cb 0.62 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3bjs h GLN 296 CO 0.04 0.78 -0.21 0.00 -0.67 0.00 0.00 178.83 178.77 3bjs n MET 297 N -4.11 0.03 0.01 1.46 0.00 -1.06 -2.59 117.12 110.86 3bjs n MET 297 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 57.70 57.59 3bjs n MET 297 Cb 0.43 -1.52 -0.09 0.00 0.00 0.00 0.00 33.22 32.03 3bjs n MET 297 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3bjs h LEU 298 N 0.00 -0.09 -0.44 3.17 5.85 -0.80 -3.15 115.31 119.86 3bjs h LEU 298 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3bjs h LEU 298 Cb 0.52 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3bjs h LEU 298 CO 0.00 0.50 -0.08 -0.90 -0.34 0.00 0.00 178.44 177.61 3bjs n ASP 299 N -4.86 0.76 0.08 1.25 5.75 -1.04 -2.15 116.55 116.34 3bjs n ASP 299 Ca -0.08 -0.95 -0.14 0.00 -0.01 0.00 0.00 54.79 53.61 3bjs n ASP 299 Cb 0.29 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.30 3bjs n ASP 299 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bjs h ALA 300 N 3.89 0.29 0.00 2.12 0.00 -1.63 -3.48 119.26 120.45 3bjs h ALA 300 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3bjs h ALA 300 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3bjs h ALA 300 CO 0.00 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.53 3bjs n GLY 301 N 1.13 0.71 0.11 0.00 0.00 -0.91 -4.91 105.19 101.32 3bjs n GLY 301 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3bjs n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs h ALA 302 N 0.00 0.08 -2.20 4.61 0.00 -1.86 -3.44 119.26 116.45 3bjs h ALA 302 Ca 0.00 -0.87 -0.62 0.00 0.00 0.00 0.00 54.91 53.41 3bjs h ALA 302 Cb 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 3bjs h ALA 302 CO 0.00 0.51 0.27 0.08 0.00 0.00 0.00 179.25 180.11 3bjs s VAL 303 N -2.39 4.78 -1.49 0.00 1.01 -1.26 -4.49 120.40 116.56 3bjs s VAL 303 Ca -0.19 0.64 0.14 0.00 0.00 0.00 0.00 61.98 62.57 3bjs s VAL 303 Cb 0.02 -4.18 0.22 0.00 0.00 0.00 0.00 36.38 32.44 3bjs s VAL 303 CO 0.74 -0.45 1.09 0.00 0.00 0.00 0.00 175.10 176.48 3bjs n GLN 304 N 6.33 1.71 -3.84 2.72 1.13 -1.09 -4.86 117.38 119.49 3bjs n GLN 304 Ca 0.01 -1.68 -0.27 0.00 -1.94 0.00 0.00 57.00 53.12 3bjs n GLN 304 Cb 0.48 -1.29 -0.17 0.00 0.11 0.00 0.00 30.24 29.37 3bjs n GLN 304 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bjs s VAL 305 N -1.09 0.82 -0.15 5.09 1.01 -1.13 -4.28 120.40 120.68 3bjs s VAL 305 Ca 0.21 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3bjs s VAL 305 Cb 0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3bjs s VAL 305 CO 0.18 0.15 0.06 0.26 0.00 0.00 0.00 175.10 175.75 3bjs s TRP 306 N 1.77 3.29 -0.55 5.22 0.52 -1.05 -2.01 118.94 126.12 3bjs s TRP 306 Ca 0.02 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.38 3bjs s TRP 306 Cb -0.14 -1.98 0.24 0.00 -1.15 0.00 0.00 33.47 30.43 3bjs s TRP 306 CO -0.07 0.33 0.62 1.04 0.02 0.00 0.00 176.95 178.89 3bjs n GLN 307 N 2.91 1.70 -2.46 4.98 6.02 -0.35 -1.18 117.38 129.00 3bjs n GLN 307 Ca -0.18 -4.07 -0.41 0.00 -0.01 0.00 0.00 57.00 52.34 3bjs n GLN 307 Cb 0.53 -1.87 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 3bjs n GLN 307 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bjs s PRO 308 N -1.78 4.61 -0.20 -1.09 0.04 -1.26 -2.02 135.00 133.29 3bjs s PRO 308 Ca 0.36 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 3bjs s PRO 308 Cb 0.13 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 3bjs s PRO 308 CO -0.07 0.14 0.51 0.34 0.04 0.00 0.00 177.00 177.96 3bjs s ASP 309 N -0.60 6.56 0.37 6.66 -1.08 -1.26 -2.17 116.67 125.15 3bjs s ASP 309 Ca 0.46 0.67 0.27 0.00 -0.52 0.00 0.00 52.55 53.44 3bjs s ASP 309 Cb -0.32 -2.29 1.21 0.00 -1.46 0.00 0.00 42.92 40.06 3bjs s ASP 309 CO 0.40 -0.16 1.82 -0.07 0.52 0.00 0.00 175.17 177.68 3bjs h LEU 310 N 7.87 0.00 -1.08 -1.34 3.38 -1.88 0.22 115.31 122.47 3bjs h LEU 310 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3bjs h LEU 310 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3bjs h LEU 310 CO 0.74 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.07 3bjs n SER 311 N -2.53 1.64 0.00 -0.43 7.64 -1.26 -3.09 113.62 115.60 3bjs n SER 311 Ca 0.01 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3bjs n SER 311 Cb 0.22 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3bjs n SER 311 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bjs n LYS 312 N 0.30 0.00 0.24 1.43 5.02 -0.10 -2.43 118.16 122.61 3bjs n LYS 312 Ca 0.17 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.61 3bjs n LYS 312 Cb 0.34 -0.52 0.50 0.00 -0.02 0.00 0.00 35.03 35.33 3bjs n LYS 312 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bjs n GLY 314 N 0.43 -0.62 1.41 0.00 0.00 -1.25 -0.69 105.19 104.46 3bjs n GLY 314 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3bjs n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 315 N 0.00 -1.81 0.17 -0.02 0.00 -1.18 -4.03 105.19 98.32 3bjs n GLY 315 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 3bjs n GLY 315 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bjs h ILE 316 N 0.00 1.34 -0.28 -0.61 2.04 -1.82 -0.07 117.51 118.11 3bjs h ILE 316 Ca 0.00 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.46 3bjs h ILE 316 Cb 0.00 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3bjs h ILE 316 CO 0.00 0.44 -0.17 0.74 0.00 0.00 0.00 178.15 179.16 3bjs h THR 317 N 0.15 0.50 -0.04 -0.27 2.02 -1.91 -0.23 112.91 113.13 3bjs h THR 317 Ca 0.02 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 3bjs h THR 317 Cb 0.83 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3bjs h THR 317 CO 0.06 0.00 -0.63 -0.08 0.37 0.00 0.00 175.52 175.24 3bjs h GLU 318 N -0.15 0.16 -0.46 6.66 4.57 -1.69 -3.01 114.58 120.66 3bjs h GLU 318 Ca 0.15 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3bjs h GLU 318 Cb 0.38 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 3bjs h GLU 318 CO -0.37 0.74 0.16 0.78 -1.18 0.00 0.00 179.01 179.14 3bjs h GLY 319 N 1.61 0.61 0.88 1.92 0.00 -0.18 0.01 103.07 107.92 3bjs h GLY 319 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3bjs h GLY 319 CO 0.09 0.01 0.18 -2.22 0.00 0.00 0.00 176.54 174.61 3bjs h ILE 320 N 0.33 1.01 -0.79 2.60 2.04 -1.02 -0.89 117.51 120.79 3bjs h ILE 320 Ca 0.22 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3bjs h ILE 320 Cb 0.23 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3bjs h ILE 320 CO -0.23 0.07 0.43 0.03 0.00 0.00 0.00 178.15 178.44 3bjs h ARG 321 N 0.38 1.11 -0.23 2.37 3.08 -1.33 -0.71 114.38 119.04 3bjs h ARG 321 Ca 0.14 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3bjs h ARG 321 Cb 0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3bjs h ARG 321 CO -0.08 0.82 0.00 0.82 -1.07 0.00 0.00 179.97 180.47 3bjs h ILE 322 N 1.10 1.25 -0.23 2.04 2.04 -0.85 -3.06 117.51 119.79 3bjs h ILE 322 Ca 0.28 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3bjs h ILE 322 Cb 0.05 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3bjs h ILE 322 CO -0.04 0.27 -0.15 0.00 0.00 0.00 0.00 178.15 178.23 3bjs h ALA 323 N 0.81 1.31 -0.12 1.87 0.00 -0.92 -2.39 119.26 119.80 3bjs h ALA 323 Ca 0.07 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3bjs h ALA 323 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bjs h ALA 323 CO 0.01 0.46 -0.61 0.00 0.00 0.00 0.00 179.25 179.11 3bjs h ALA 324 N 1.48 0.72 -0.41 0.00 0.00 -1.16 0.66 119.26 120.54 3bjs h ALA 324 Ca 0.07 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3bjs h ALA 324 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3bjs h ALA 324 CO 0.03 0.72 -0.03 1.98 0.00 0.00 0.00 179.25 181.95 3bjs h MET 325 N 0.31 0.75 -0.49 0.00 -1.53 -1.42 -2.96 114.93 109.59 3bjs h MET 325 Ca -0.01 -0.26 -0.06 0.00 -3.44 0.00 0.00 59.70 55.93 3bjs h MET 325 Cb 1.15 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.12 3bjs h MET 325 CO 0.11 0.85 0.05 0.00 0.14 0.00 0.00 176.91 178.06 3bjs h ALA 326 N 0.88 1.17 -0.57 0.39 0.00 -1.28 -3.18 119.26 116.67 3bjs h ALA 326 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3bjs h ALA 326 Cb 0.53 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3bjs h ALA 326 CO 0.03 0.55 0.35 1.03 0.00 0.00 0.00 179.25 181.20 3bjs h SER 327 N 0.75 0.56 0.25 0.00 0.87 -0.72 0.18 113.55 115.44 3bjs h SER 327 Ca 0.16 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3bjs h SER 327 Cb 0.38 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3bjs h SER 327 CO 0.01 0.40 -0.25 0.00 -0.53 0.00 0.00 176.83 176.45 3bjs h ALA 328 N 1.25 1.58 -0.71 6.23 0.00 -1.50 -2.43 119.26 123.67 3bjs h ALA 328 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bjs h ALA 328 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bjs h ALA 328 CO -0.09 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.14 3bjs n TYR 329 N -4.24 1.15 -2.56 0.00 4.01 -0.87 -4.96 117.16 109.70 3bjs n TYR 329 Ca -0.02 -0.54 -0.19 0.00 -0.16 0.00 0.00 57.90 57.00 3bjs n TYR 329 Cb 0.31 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3bjs n TYR 329 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3bjs n ARG 330 N 1.50 -2.42 -3.14 -0.72 3.00 -0.18 -4.98 116.66 109.72 3bjs n ARG 330 Ca 0.25 0.84 -0.40 0.00 -0.00 0.00 0.00 57.85 58.55 3bjs n ARG 330 Cb 0.71 -5.52 -0.06 0.00 0.00 0.00 0.00 32.46 27.59 3bjs n ARG 330 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bjs s ILE 331 N -2.93 5.05 0.32 5.15 1.01 0.44 -5.00 121.20 125.24 3bjs s ILE 331 Ca 0.07 1.18 -0.28 0.00 0.00 0.00 0.00 60.65 61.62 3bjs s ILE 331 Cb -0.03 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 3bjs s ILE 331 CO 0.08 0.16 1.07 -2.16 0.00 0.00 0.00 174.94 174.09 3bjs s PRO 332 N 1.56 4.50 -0.38 2.79 0.04 -1.26 -4.28 135.00 137.97 3bjs s PRO 332 Ca 0.29 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 3bjs s PRO 332 Cb -0.16 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3bjs s PRO 332 CO 0.11 0.12 0.27 0.42 0.04 0.00 0.00 177.00 177.97 3bjs s ILE 333 N -1.33 5.26 -0.75 0.56 -1.09 -0.08 -2.53 121.20 121.24 3bjs s ILE 333 Ca 0.49 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.48 3bjs s ILE 333 Cb -0.28 -3.83 0.26 0.00 -1.58 0.00 0.00 42.46 37.03 3bjs s ILE 333 CO 0.36 -0.17 0.91 0.59 -1.23 0.00 0.00 174.94 175.39 3bjs n ASN 334 N 5.13 4.38 -4.53 3.58 3.02 -0.32 -0.87 115.26 125.65 3bjs n ASN 334 Ca -0.12 -3.43 -0.49 0.00 -0.03 0.00 0.00 54.58 50.52 3bjs n ASN 334 Cb 0.48 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3bjs n ASN 334 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bjs n ALA 335 N 1.03 -1.41 -1.91 5.41 0.00 -1.23 -4.51 120.51 117.89 3bjs n ALA 335 Ca 0.29 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.78 3bjs n ALA 335 Cb 0.39 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.88 3bjs n ALA 335 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3bjs s HIS 336 N -0.54 3.92 -0.09 0.00 2.46 -0.92 -3.85 115.29 116.27 3bjs s HIS 336 Ca 0.70 1.87 -0.04 0.00 0.47 0.00 0.00 55.06 58.06 3bjs s HIS 336 Cb -0.88 -3.01 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 3bjs s HIS 336 CO 0.55 0.34 0.10 -1.12 -2.47 0.00 0.00 174.74 172.15 3bjs s SER 337 N -0.81 6.00 0.04 9.88 0.01 -1.26 -4.21 113.70 123.33 3bjs s SER 337 Ca 0.43 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.02 3bjs s SER 337 Cb -0.25 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.12 3bjs s SER 337 CO 0.32 0.37 0.00 -1.20 0.41 0.00 0.00 173.24 173.14 3bjs n SER 338 N 1.83 0.00 -0.04 2.44 7.64 -1.26 -5.00 113.62 119.23 3bjs n SER 338 Ca -0.18 -0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.48 3bjs n SER 338 Cb 0.54 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 3bjs n SER 338 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjs h ALA 339 N -1.40 0.01 -2.30 -0.43 0.00 -1.96 -3.46 119.26 109.71 3bjs h ALA 339 Ca 0.00 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.98 3bjs h ALA 339 Cb 0.00 0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.83 3bjs h ALA 339 CO 0.00 -0.01 0.30 0.95 0.00 0.00 0.00 179.25 180.49 3bjs s THR 340 N -2.99 4.72 -0.72 0.00 -4.23 -1.26 -3.18 115.64 107.98 3bjs s THR 340 Ca -0.17 0.78 0.19 0.00 -1.18 0.00 0.00 61.69 61.31 3bjs s THR 340 Cb -0.01 -3.81 0.18 0.00 1.34 0.00 0.00 72.50 70.20 3bjs s THR 340 CO 0.71 -0.89 1.58 0.61 -0.54 0.00 0.00 174.62 176.09 3bjs n GLY 341 N -2.17 -1.13 0.07 3.99 0.00 -0.60 -2.42 105.19 102.94 3bjs n GLY 341 Ca 0.04 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3bjs n GLY 341 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bjs h LEU 342 N 0.00 0.08 -0.90 0.99 3.38 -1.89 -1.83 115.31 115.14 3bjs h LEU 342 Ca 0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 3bjs h LEU 342 Cb 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3bjs h LEU 342 CO 0.00 0.47 0.03 -1.13 0.09 0.00 0.00 178.44 177.90 3bjs h ASN 343 N -0.31 0.81 -0.36 -0.43 -0.73 -1.89 -1.73 115.58 110.93 3bjs h ASN 343 Ca 0.01 -0.19 -0.04 0.00 1.87 0.00 0.00 56.30 57.95 3bjs h ASN 343 Cb 0.44 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 3bjs h ASN 343 CO 0.01 0.85 0.09 0.45 -0.37 0.00 0.00 177.43 178.45 3bjs h HIS 344 N 0.79 0.68 -0.05 0.67 3.86 -1.52 0.12 115.15 119.70 3bjs h HIS 344 Ca 0.16 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3bjs h HIS 344 Cb 0.43 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 3bjs h HIS 344 CO 0.02 0.59 -0.02 0.00 0.86 0.00 0.00 177.93 179.39 3bjs h ALA 345 N 1.46 0.07 -0.81 2.45 0.00 -0.96 -2.79 119.26 118.68 3bjs h ALA 345 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3bjs h ALA 345 Cb 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3bjs h ALA 345 CO 0.00 -0.19 0.47 0.00 0.00 0.00 0.00 179.25 179.53 3bjs h ALA 346 N 0.63 1.31 -0.13 0.00 0.00 -1.11 -2.00 119.26 117.95 3bjs h ALA 346 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3bjs h ALA 346 Cb 0.45 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3bjs h ALA 346 CO 0.01 0.58 0.00 1.15 0.00 0.00 0.00 179.25 180.99 3bjs h THR 347 N 1.12 1.25 -0.52 0.00 2.02 -1.01 -1.04 112.91 114.73 3bjs h THR 347 Ca 0.29 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 3bjs h THR 347 Cb -0.02 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3bjs h THR 347 CO -0.05 0.23 -0.00 0.40 0.37 0.00 0.00 175.52 176.47 3bjs h ILE 348 N -0.03 1.25 -0.43 3.11 2.04 -1.36 0.34 117.51 122.44 3bjs h ILE 348 Ca 0.04 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3bjs h ILE 348 Cb 0.36 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3bjs h ILE 348 CO 0.01 0.38 0.19 0.45 0.00 0.00 0.00 178.15 179.18 3bjs h HIS 349 N 0.82 0.62 -0.51 1.37 3.86 -1.35 -1.43 115.15 118.53 3bjs h HIS 349 Ca 0.15 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3bjs h HIS 349 Cb 0.49 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3bjs h HIS 349 CO 0.03 0.52 0.28 0.35 0.86 0.00 0.00 177.93 179.98 3bjs h PHE 350 N 0.54 0.69 0.00 2.45 3.04 -0.77 -2.87 116.94 120.03 3bjs h PHE 350 Ca 0.14 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 3bjs h PHE 350 Cb 0.14 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3bjs h PHE 350 CO -0.01 0.51 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.36 3bjs h LEU 351 N 0.68 0.00 -0.91 0.59 3.38 -0.86 -0.96 115.31 117.23 3bjs h LEU 351 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3bjs h LEU 351 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3bjs h LEU 351 CO -0.03 0.37 -0.09 0.00 0.09 0.00 0.00 178.44 178.77 3bjs h ALA 352 N 1.63 1.08 -0.01 1.53 0.00 -1.05 -3.15 119.26 119.30 3bjs h ALA 352 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bjs h ALA 352 Cb 0.89 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bjs h ALA 352 CO 0.05 0.57 -0.62 0.00 0.00 0.00 0.00 179.25 179.24 3bjs n ALA 353 N -2.48 3.90 -2.61 0.00 0.00 -1.10 -4.13 120.51 114.09 3bjs n ALA 353 Ca 0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 3bjs n ALA 353 Cb 0.34 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 3bjs n ALA 353 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bjs s THR 354 N -2.69 5.03 0.19 0.00 2.01 -0.38 -4.66 115.64 115.13 3bjs s THR 354 Ca 0.15 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 3bjs s THR 354 Cb 0.18 -3.89 0.12 0.00 0.01 0.00 0.00 72.50 68.92 3bjs s THR 354 CO 0.67 0.01 1.84 -0.08 -0.69 0.00 0.00 174.62 176.37 3bjs h GLU 355 N 8.08 0.91 -1.07 4.92 4.22 -1.89 -2.95 114.58 126.80 3bjs h GLU 355 Ca -0.28 -0.08 -0.45 0.00 0.08 0.00 0.00 59.36 58.64 3bjs h GLU 355 Cb 1.13 -0.19 -0.24 0.00 0.50 0.00 0.00 28.75 29.95 3bjs h GLU 355 CO 0.74 0.64 0.57 0.27 -2.18 0.00 0.00 179.01 179.05 3bjs n ASN 356 N -4.58 4.74 -4.75 1.04 6.94 -1.26 -4.96 115.26 112.44 3bjs n ASN 356 Ca 0.05 -3.33 -0.40 0.00 -0.02 0.00 0.00 54.58 50.88 3bjs n ASN 356 Cb 0.05 -0.84 -0.05 0.00 -2.36 0.00 0.00 39.78 36.57 3bjs n ASN 356 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bjs s ALA 357 N -2.70 3.34 0.00 -2.53 0.00 -1.12 -0.90 121.76 117.85 3bjs s ALA 357 Ca 0.46 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3bjs s ALA 357 Cb 0.38 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3bjs s ALA 357 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3bjs n GLY 358 N 1.69 0.12 3.79 0.00 0.00 -0.05 -4.83 105.19 105.92 3bjs n GLY 358 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3bjs n GLY 358 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 359 N 0.43 3.23 -0.17 1.61 1.51 -1.26 -4.26 117.35 118.44 3bjs s TYR 359 Ca 0.00 0.10 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 3bjs s TYR 359 Cb 0.00 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 3bjs s TYR 359 CO 0.00 0.53 0.25 0.12 -1.11 0.00 0.00 175.55 175.34 3bjs s PHE 360 N -1.41 3.45 -0.50 2.71 2.19 0.01 -3.56 117.98 120.87 3bjs s PHE 360 Ca 0.30 0.52 -0.26 0.00 0.33 0.00 0.00 56.93 57.82 3bjs s PHE 360 Cb -0.12 -2.29 0.03 0.00 -1.31 0.00 0.00 43.02 39.33 3bjs s PHE 360 CO 0.23 0.26 1.00 -2.00 1.83 0.00 0.00 175.22 176.54 3bjs s GLU 361 N 0.43 3.51 -0.22 10.12 2.12 -1.25 -2.19 118.70 131.21 3bjs s GLU 361 Ca 0.14 0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.45 3bjs s GLU 361 Cb -0.12 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.26 3bjs s GLU 361 CO 0.02 -1.38 0.36 0.00 -0.54 0.00 0.00 175.26 173.72 3bjs s ALA 362 N 4.10 3.57 -0.02 6.30 0.00 -0.75 -4.60 121.76 130.35 3bjs s ALA 362 Ca 0.38 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 3bjs s ALA 362 Cb -0.10 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3bjs s ALA 362 CO 0.25 -0.36 1.26 0.00 0.00 0.00 0.00 175.76 176.91 3bjs n VAL 364 N 4.53 0.66 -2.20 0.00 0.24 -1.24 -4.94 118.33 115.38 3bjs n VAL 364 Ca 0.11 -0.73 -0.41 0.00 -2.04 0.00 0.00 64.34 61.27 3bjs n VAL 364 Cb 0.45 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3bjs n VAL 364 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bjs s SER 365 N -0.66 6.89 0.27 -1.34 1.04 -1.26 -4.95 113.70 113.70 3bjs s SER 365 Ca 0.00 2.52 0.05 0.00 0.48 0.00 0.00 55.95 58.99 3bjs s SER 365 Cb 0.00 -2.63 0.38 0.00 0.10 0.00 0.00 66.02 63.87 3bjs s SER 365 CO 0.00 -0.48 1.66 0.07 0.98 0.00 0.00 173.24 175.47 3bjs h LYS 366 N 4.24 0.30 -2.63 4.02 -0.00 -1.96 -3.29 116.57 117.25 3bjs h LYS 366 Ca -0.47 -0.15 -0.81 0.00 -0.00 0.00 0.00 60.65 59.22 3bjs h LYS 366 Cb 1.22 0.00 -0.28 0.00 -0.00 0.00 0.00 32.23 33.17 3bjs h LYS 366 CO 0.70 0.69 0.87 1.97 -0.00 0.00 0.00 179.45 183.68 3bjs n PHE 367 N -4.00 2.47 -3.54 0.07 -1.74 -1.26 -4.83 117.46 104.63 3bjs n PHE 367 Ca -0.02 -2.59 -0.29 0.00 -0.56 0.00 0.00 57.45 54.00 3bjs n PHE 367 Cb 0.51 -1.22 -0.14 0.00 1.52 0.00 0.00 39.48 40.15 3bjs n PHE 367 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3bjs s ASN 368 N -1.64 3.35 0.49 5.98 3.04 -1.24 -5.01 114.94 119.89 3bjs s ASN 368 Ca 0.35 -1.81 0.28 0.00 0.04 0.00 0.00 52.86 51.72 3bjs s ASN 368 Cb 0.11 -0.47 0.93 0.00 -1.54 0.00 0.00 41.25 40.28 3bjs s ASN 368 CO 0.01 -0.37 1.82 1.55 -3.04 0.00 0.00 177.10 177.07 3bjs h PRO 369 N 7.66 0.00 -0.04 0.43 0.13 -1.93 -3.24 132.00 135.01 3bjs h PRO 369 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 3bjs h PRO 369 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3bjs h PRO 369 CO 0.37 0.07 -0.31 0.74 -0.23 0.00 0.00 178.00 178.64 3bjs h PHE 370 N 0.00 0.07 0.50 1.56 0.04 -1.95 -2.71 116.94 114.45 3bjs h PHE 370 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3bjs h PHE 370 Cb 0.74 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.87 3bjs h PHE 370 CO 0.00 0.37 -0.24 -0.09 -0.60 0.00 0.00 178.31 177.75 3bjs h ARG 371 N 0.06 -0.64 -1.45 1.51 2.43 -1.57 -1.59 114.38 113.13 3bjs h ARG 371 Ca 0.01 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.52 3bjs h ARG 371 Cb 0.58 0.15 -0.28 0.00 -0.42 0.00 0.00 29.97 30.00 3bjs h ARG 371 CO 0.04 -0.36 0.94 -0.25 -1.51 0.00 0.00 179.97 178.83 3bjs n ASP 372 N -5.31 7.59 0.09 -3.80 10.43 -1.20 -3.73 116.55 120.62 3bjs n ASP 372 Ca -0.11 -3.78 -0.20 0.00 2.57 0.00 0.00 54.79 53.27 3bjs n ASP 372 Cb 0.31 -1.02 -0.12 0.00 1.84 0.00 0.00 41.12 42.13 3bjs n ASP 372 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 3bjs h MET 373 N 2.42 0.51 0.00 -1.24 4.05 -1.51 -3.44 114.93 115.73 3bjs h MET 373 Ca 0.58 -0.70 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 3bjs h MET 373 Cb 0.48 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 3bjs h MET 373 CO 1.50 1.31 0.00 1.19 0.23 0.00 0.00 176.91 181.13 3bjs n PHE 374 N -3.73 0.00 -2.83 1.39 3.72 -1.26 -4.97 117.46 109.78 3bjs n PHE 374 Ca -0.12 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.00 3bjs n PHE 374 Cb 0.98 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 3bjs n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bjs n GLY 375 N 4.12 5.72 7.00 1.37 0.00 -1.26 -5.05 105.19 117.08 3bjs n GLY 375 Ca 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 46.02 43.25 3bjs n GLY 375 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bjs n THR 376 N -0.28 0.00 -0.94 2.61 -2.24 -1.26 -5.05 114.28 107.12 3bjs n THR 376 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 3bjs n THR 376 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3bjs n THR 376 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3bjs n PHE 378 N 5.87 0.00 -3.78 4.78 -1.74 -1.26 -4.62 117.46 116.71 3bjs n PHE 378 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.76 3bjs n PHE 378 Cb 0.00 -0.09 -0.14 0.00 1.52 0.00 0.00 39.48 40.78 3bjs n PHE 378 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3bjs s GLU 379 N -3.60 0.12 0.14 3.97 2.12 -1.26 -5.12 118.70 115.07 3bjs s GLU 379 Ca 0.00 0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 3bjs s GLU 379 Cb 0.00 -0.08 -0.07 0.00 0.26 0.00 0.00 34.13 34.25 3bjs s GLU 379 CO 0.00 -0.11 1.03 -1.50 -0.54 0.00 0.00 175.26 174.15 3bjs s ILE 380 N 0.75 4.20 0.56 -3.70 2.07 -1.26 -4.60 121.20 119.22 3bjs s ILE 380 Ca -0.06 1.84 -0.04 0.00 -1.41 0.00 0.00 60.65 60.98 3bjs s ILE 380 Cb -0.07 -4.18 0.12 0.00 0.13 0.00 0.00 42.46 38.46 3bjs s ILE 380 CO -0.04 0.29 0.77 0.61 -1.91 0.00 0.00 174.94 174.66 3bjs n GLY 381 N 2.21 -0.10 0.13 1.50 0.00 -0.27 -4.96 105.19 103.71 3bjs n GLY 381 Ca 0.03 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.29 3bjs n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs h ALA 382 N -1.05 0.94 -0.00 4.61 0.00 -1.88 -2.92 119.26 118.95 3bjs h ALA 382 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bjs h ALA 382 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3bjs h ALA 382 CO 0.23 0.00 -0.04 -0.40 0.00 0.00 0.00 179.25 179.04 3bjs n ASP 383 N -2.46 0.39 0.00 0.00 3.85 -1.26 -4.91 116.55 112.16 3bjs n ASP 383 Ca 0.05 -0.80 0.00 0.00 -0.71 0.00 0.00 54.79 53.33 3bjs n ASP 383 Cb 0.46 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3bjs n ASP 383 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bjs n GLY 384 N 1.17 0.53 3.72 6.12 0.00 -1.10 -4.93 105.19 110.68 3bjs n GLY 384 Ca 0.18 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3bjs n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs s VAL 386 N -2.79 0.36 0.02 0.00 0.11 0.22 -1.11 120.40 117.21 3bjs s VAL 386 Ca 0.21 -1.85 0.04 0.00 -2.93 0.00 0.00 61.98 57.45 3bjs s VAL 386 Cb 0.05 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 3bjs s VAL 386 CO 0.11 -0.96 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.19 3bjs s GLU 387 N -3.89 0.92 0.25 1.54 2.02 -1.26 -1.40 118.70 116.88 3bjs s GLU 387 Ca 0.09 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 3bjs s GLU 387 Cb 0.07 -0.90 -0.09 0.00 0.10 0.00 0.00 34.13 33.31 3bjs s GLU 387 CO -0.08 0.23 1.05 -1.25 0.02 0.00 0.00 175.26 175.23 3bjs s PRO 388 N -0.75 4.70 0.28 0.39 0.04 -1.26 -4.87 135.00 133.52 3bjs s PRO 388 Ca 0.02 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3bjs s PRO 388 Cb -0.06 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 3bjs s PRO 388 CO 0.00 0.28 1.29 -2.30 0.04 0.00 0.00 177.00 176.31 3bjs n PRO 389 N 1.43 1.90 -2.62 0.56 -0.02 -1.26 -4.93 135.00 130.06 3bjs n PRO 389 Ca -0.01 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3bjs n PRO 389 Cb 0.46 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3bjs n PRO 389 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3bjs n ASP 390 N 1.51 6.84 -3.73 2.55 -0.08 -1.26 -4.81 116.55 117.57 3bjs n ASP 390 Ca 0.09 -3.43 -0.14 0.00 -1.51 0.00 0.00 54.79 49.80 3bjs n ASP 390 Cb 0.33 -1.28 -0.08 0.00 2.34 0.00 0.00 41.12 42.43 3bjs n ASP 390 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bjs s ALA 391 N -2.65 -0.92 0.43 -1.67 0.00 -1.26 -5.01 121.76 110.68 3bjs s ALA 391 Ca 0.39 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 3bjs s ALA 391 Cb 0.13 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 3bjs s ALA 391 CO -0.02 -0.27 0.95 -2.30 0.00 0.00 0.00 175.76 174.11 3bjs n PRO 392 N 1.25 1.22 0.00 0.00 -0.02 -1.26 -3.62 135.00 132.56 3bjs n PRO 392 Ca -0.21 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3bjs n PRO 392 Cb 0.56 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3bjs n PRO 392 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bjs n GLY 393 N 1.27 1.47 0.05 -1.23 0.00 -0.62 -2.66 105.19 103.47 3bjs n GLY 393 Ca 0.10 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.73 3bjs n GLY 393 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjs n LEU 394 N 0.00 0.52 -0.33 0.99 4.77 -1.26 -1.16 117.00 120.53 3bjs n LEU 394 Ca 0.00 0.42 -0.04 0.00 -0.03 0.00 0.00 56.01 56.36 3bjs n LEU 394 Cb 0.00 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3bjs n LEU 394 CO 0.00 -0.07 -0.04 0.61 -1.33 0.00 0.00 177.39 176.56 3bjs n GLY 395 N 1.39 0.70 3.36 -0.72 0.00 -1.09 -4.72 105.19 104.12 3bjs n GLY 395 Ca 0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3bjs n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bjs s ILE 396 N -2.16 2.92 -0.26 -0.61 1.09 -1.26 -4.86 121.20 116.06 3bjs s ILE 396 Ca 0.00 -0.72 -0.16 0.00 -1.10 0.00 0.00 60.65 58.67 3bjs s ILE 396 Cb 0.00 -2.20 -0.03 0.00 -1.06 0.00 0.00 42.46 39.17 3bjs s ILE 396 CO 0.00 0.54 0.45 -0.70 -0.10 0.00 0.00 174.94 175.12 3bjs s GLU 397 N 0.21 4.06 -0.38 2.79 2.12 -1.26 -5.05 118.70 121.19 3bjs s GLU 397 Ca -0.09 0.20 -0.12 0.00 0.36 0.00 0.00 54.97 55.32 3bjs s GLU 397 Cb -0.16 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3bjs s GLU 397 CO 0.05 -0.29 0.23 0.08 -0.54 0.00 0.00 175.26 174.80 3bjs s VAL 398 N 2.10 4.78 -0.29 3.70 1.01 -1.26 -4.66 120.40 125.78 3bjs s VAL 398 Ca 0.19 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3bjs s VAL 398 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3bjs s VAL 398 CO 0.09 -0.23 0.53 -0.62 0.00 0.00 0.00 175.10 174.87 3bjs s ASP 399 N 1.60 6.40 0.00 3.32 3.68 -1.26 -4.96 116.67 125.45 3bjs s ASP 399 Ca 0.03 0.35 0.26 0.00 2.13 0.00 0.00 52.55 55.32 3bjs s ASP 399 Cb -0.19 -2.28 1.32 0.00 -1.45 0.00 0.00 42.92 40.32 3bjs s ASP 399 CO 0.08 -0.37 1.89 -0.62 0.13 0.00 0.00 175.17 176.28 3bjs n GLU 400 N 5.65 0.36 -0.02 4.34 1.02 -1.26 -3.15 120.64 127.58 3bjs n GLU 400 Ca -0.04 0.04 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3bjs n GLU 400 Cb 0.49 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.93 3bjs n GLU 400 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3bjs n SER 401 N -1.29 0.56 0.07 1.62 3.41 -1.26 -2.93 113.62 113.80 3bjs n SER 401 Ca 0.12 -1.49 0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3bjs n SER 401 Cb 0.21 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3bjs n SER 401 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bjs n ILE 402 N -0.43 0.45 0.22 -1.33 5.41 -1.19 -4.09 119.36 118.40 3bjs n ILE 402 Ca 0.15 -0.43 0.05 0.00 1.00 0.00 0.00 62.75 63.53 3bjs n ILE 402 Cb 0.16 -0.18 0.48 0.00 -0.71 0.00 0.00 39.64 39.40 3bjs n ILE 402 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3bjs h PHE 403 N 0.00 0.00 0.00 1.39 0.04 -1.78 -2.39 116.94 114.20 3bjs h PHE 403 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3bjs h PHE 403 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 3bjs h PHE 403 CO 0.00 0.24 -0.40 0.93 -0.60 0.00 0.00 178.31 178.49 3bjs h GLU 404 N 0.00 0.00 0.00 1.51 5.08 -1.77 -2.96 114.58 116.43 3bjs h GLU 404 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3bjs h GLU 404 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3bjs h GLU 404 CO 0.03 0.40 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.72 3bjs h LYS 405 N 0.00 0.00 -3.13 2.33 3.64 -1.64 -3.37 116.57 114.41 3bjs h LYS 405 Ca -0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.75 3bjs h LYS 405 Cb 0.90 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.31 3bjs h LYS 405 CO 0.05 0.50 -0.61 0.71 -2.27 0.00 0.00 179.45 177.83 3bjs s TYR 406 N -3.66 3.31 0.80 1.91 2.02 -1.12 -5.08 117.35 115.54 3bjs s TYR 406 Ca -0.01 -3.22 -0.11 0.00 -0.37 0.00 0.00 57.07 53.35 3bjs s TYR 406 Cb 0.12 -2.63 0.08 0.00 -0.40 0.00 0.00 41.96 39.13 3bjs s TYR 406 CO 0.73 -0.62 1.17 -1.25 -1.57 0.00 0.00 175.55 174.01 3bjs s PRO 407 N -1.03 1.95 0.11 -1.71 0.04 -1.25 -3.54 135.00 129.57 3bjs s PRO 407 Ca 0.23 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 3bjs s PRO 407 Cb -0.10 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 3bjs s PRO 407 CO -0.12 -1.58 1.14 0.00 0.04 0.00 0.00 177.00 176.48 3bjs s ALA 408 N -3.55 3.36 -0.12 8.56 0.00 -1.26 -2.59 121.76 126.16 3bjs s ALA 408 Ca 0.62 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.41 3bjs s ALA 408 Cb -0.11 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3bjs s ALA 408 CO 0.49 -0.32 -0.20 0.08 0.00 0.00 0.00 175.76 175.81 3bjs s VAL 409 N 0.46 2.38 -1.21 0.00 1.01 -1.26 -4.96 120.40 116.81 3bjs s VAL 409 Ca 0.54 -0.89 0.30 0.00 0.00 0.00 0.00 61.98 61.92 3bjs s VAL 409 Cb -0.29 -1.96 0.38 0.00 0.00 0.00 0.00 36.38 34.51 3bjs s VAL 409 CO 0.32 0.54 1.99 -0.90 0.00 0.00 0.00 175.10 177.05 3bjs n ASP 410 N 3.73 0.01 -3.72 3.32 5.75 -1.26 -4.92 116.55 119.46 3bjs n ASP 410 Ca -0.19 0.17 -0.30 0.00 -0.01 0.00 0.00 54.79 54.46 3bjs n ASP 410 Cb 0.52 -0.39 0.24 0.00 -1.03 0.00 0.00 41.12 40.47 3bjs n ASP 410 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bjs s GLY 411 N -2.79 1.67 0.55 6.12 0.00 -1.26 -5.05 107.32 106.56 3bjs s GLY 411 Ca 0.21 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 3bjs s GLY 411 CO 0.50 -0.26 1.01 2.56 0.00 0.00 0.00 173.10 176.91 3bjs s PRO 412 N -5.67 3.69 0.00 2.90 0.04 -1.26 -5.01 135.00 129.70 3bjs s PRO 412 Ca 0.74 1.03 0.19 0.00 0.04 0.00 0.00 61.00 63.00 3bjs s PRO 412 Cb -0.06 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3bjs s PRO 412 CO 0.55 -0.49 0.90 0.41 0.04 0.00 0.00 177.00 178.40 3bjs n GLY 413 N -1.45 -0.30 3.10 0.56 0.00 -1.26 -4.70 105.19 101.14 3bjs n GLY 413 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3bjs n GLY 413 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 414 N -2.43 0.75 -0.11 1.61 1.51 -1.26 -2.78 117.35 114.64 3bjs s TYR 414 Ca 0.12 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 3bjs s TYR 414 Cb 0.15 -0.45 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 3bjs s TYR 414 CO 0.60 -0.09 -0.08 0.08 -1.11 0.00 0.00 175.55 174.94 3bjs s VAL 415 N -1.98 1.08 -0.29 0.71 1.01 -0.02 -4.93 120.40 115.98 3bjs s VAL 415 Ca -0.04 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3bjs s VAL 415 Cb -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3bjs s VAL 415 CO -0.01 0.37 0.57 0.52 0.00 0.00 0.00 175.10 176.56