#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjm n ARG 40 N 0.00 0.00 -4.12 1.43 3.00 -1.26 -4.81 116.66 110.91 3bjm n ARG 40 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 3bjm n ARG 40 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 32.46 32.20 3bjm n ARG 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3bjm s LYS 41 N 0.00 2.66 0.38 -0.14 -2.85 -1.26 -5.01 119.74 113.52 3bjm s LYS 41 Ca 0.00 -0.87 0.08 0.00 -1.00 0.00 0.00 55.97 54.19 3bjm s LYS 41 Cb 0.00 -2.57 -0.07 0.00 -2.06 0.00 0.00 37.83 33.13 3bjm s LYS 41 CO 0.00 0.52 -0.04 0.95 0.10 0.00 0.00 175.35 176.87 3bjm s THR 42 N -1.50 2.12 -0.44 3.79 -4.23 -1.26 -0.77 115.64 113.35 3bjm s THR 42 Ca 0.28 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 3bjm s THR 42 Cb -0.11 -2.83 0.03 0.00 1.34 0.00 0.00 72.50 70.93 3bjm s THR 42 CO 0.20 -0.10 1.12 -0.47 -0.54 0.00 0.00 174.62 174.84 3bjm s TYR 43 N -2.66 2.89 0.35 3.99 5.04 -1.26 -4.89 117.35 120.82 3bjm s TYR 43 Ca 0.34 0.82 0.04 0.00 -2.44 0.00 0.00 57.07 55.83 3bjm s TYR 43 Cb 0.06 -4.27 -0.01 0.00 0.35 0.00 0.00 41.96 38.09 3bjm s TYR 43 CO 0.17 -1.16 0.52 0.95 -1.34 0.00 0.00 175.55 174.70 3bjm s THR 44 N 4.27 4.40 0.26 4.34 -4.23 -1.26 -4.13 115.64 119.29 3bjm s THR 44 Ca 0.47 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 3bjm s THR 44 Cb -0.08 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.42 3bjm s THR 44 CO 0.28 -0.29 1.78 0.25 -0.54 0.00 0.00 174.62 176.09 3bjm h LEU 45 N 0.78 0.58 -1.00 4.79 5.85 -1.95 -1.21 115.31 123.14 3bjm h LEU 45 Ca -0.47 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3bjm h LEU 45 Cb 1.25 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3bjm h LEU 45 CO 0.57 0.27 0.46 0.74 -0.34 0.00 0.00 178.44 180.14 3bjm h THR 46 N 0.68 1.24 -0.48 1.05 2.02 -1.98 0.17 112.91 115.62 3bjm h THR 46 Ca 0.44 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3bjm h THR 46 Cb 0.56 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3bjm h THR 46 CO -0.33 0.27 0.30 0.44 0.37 0.00 0.00 175.52 176.57 3bjm h ASP 47 N 1.17 0.57 0.84 4.18 3.32 -1.62 0.31 116.42 125.19 3bjm h ASP 47 Ca 0.30 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3bjm h ASP 47 Cb 0.02 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3bjm h ASP 47 CO -0.05 0.44 -0.40 0.22 -1.72 0.00 0.00 179.24 177.73 3bjm h TYR 48 N 0.64 -1.05 -0.31 4.55 3.20 -0.92 0.47 116.97 123.55 3bjm h TYR 48 Ca 0.17 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3bjm h TYR 48 Cb -0.03 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3bjm h TYR 48 CO -0.03 -0.65 0.22 -0.07 -1.64 0.00 0.00 178.16 175.98 3bjm h LEU 49 N -1.15 0.12 -1.93 2.82 4.07 -0.29 -2.87 115.31 116.09 3bjm h LEU 49 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3bjm h LEU 49 Cb 0.87 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.58 3bjm h LEU 49 CO 0.19 0.08 0.00 0.29 -1.08 0.00 0.00 178.44 177.92 3bjm n LYS 50 N -4.47 1.19 -3.51 1.13 4.76 0.11 -4.97 118.16 112.39 3bjm n LYS 50 Ca 0.04 -1.33 -0.19 0.00 -2.87 0.00 0.00 58.31 53.95 3bjm n LYS 50 Cb 0.29 -1.17 0.08 0.00 -1.84 0.00 0.00 35.03 32.39 3bjm n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bjm n ASN 51 N 0.37 -2.91 -0.27 4.39 3.02 0.11 -4.90 115.26 115.07 3bjm n ASN 51 Ca 0.06 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3bjm n ASN 51 Cb 0.27 -4.94 0.13 0.00 -0.61 0.00 0.00 39.78 34.62 3bjm n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3bjm h THR 52 N -2.07 0.97 -3.70 3.41 2.02 -1.72 -3.37 112.91 108.45 3bjm h THR 52 Ca -0.59 -0.27 -0.69 0.00 0.77 0.00 0.00 66.41 65.63 3bjm h THR 52 Cb 1.35 0.11 -0.33 0.00 -1.74 0.00 0.00 68.15 67.54 3bjm h THR 52 CO 0.53 0.14 -0.65 -0.31 0.37 0.00 0.00 175.52 175.59 3bjm s TYR 53 N -6.07 3.34 -0.11 3.16 2.02 -1.26 -5.09 117.35 113.34 3bjm s TYR 53 Ca -0.13 -1.92 -0.08 0.00 -0.37 0.00 0.00 57.07 54.57 3bjm s TYR 53 Cb 0.18 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3bjm s TYR 53 CO 0.77 -0.83 0.17 1.03 -1.57 0.00 0.00 175.55 175.12 3bjm s ARG 54 N 1.25 3.52 0.12 -0.62 0.52 -1.26 -5.06 118.95 117.42 3bjm s ARG 54 Ca -0.02 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3bjm s ARG 54 Cb -0.20 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 3bjm s ARG 54 CO -0.01 0.75 1.12 -0.51 0.02 0.00 0.00 175.30 176.67 3bjm s LEU 55 N -0.97 4.43 0.28 2.53 1.43 -1.26 -4.73 118.68 120.40 3bjm s LEU 55 Ca 0.16 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 55.13 3bjm s LEU 55 Cb -0.12 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3bjm s LEU 55 CO 0.05 -0.31 0.67 -0.54 0.23 0.00 0.00 176.35 176.45 3bjm s LYS 56 N 0.29 3.95 0.50 1.70 1.02 -1.26 -5.10 119.74 120.84 3bjm s LYS 56 Ca 0.53 0.54 0.01 0.00 0.02 0.00 0.00 55.97 57.07 3bjm s LYS 56 Cb -0.28 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3bjm s LYS 56 CO 0.32 0.23 0.02 -0.51 -0.92 0.00 0.00 175.35 174.48 3bjm s LEU 57 N -2.86 2.24 -0.40 3.17 1.43 -1.26 -4.91 118.68 116.08 3bjm s LEU 57 Ca 0.51 -1.67 0.03 0.00 -1.03 0.00 0.00 54.13 51.97 3bjm s LEU 57 Cb -0.11 -0.65 0.16 0.00 0.03 0.00 0.00 46.19 45.62 3bjm s LEU 57 CO 0.19 -0.88 0.32 -0.47 0.23 0.00 0.00 176.35 175.74 3bjm s TYR 58 N -2.92 0.78 -0.39 0.29 6.14 -1.26 -4.95 117.35 115.03 3bjm s TYR 58 Ca 0.06 -1.97 -0.24 0.00 0.64 0.00 0.00 57.07 55.57 3bjm s TYR 58 Cb 0.01 -0.82 0.01 0.00 0.42 0.00 0.00 41.96 41.58 3bjm s TYR 58 CO 0.04 -0.86 0.82 -1.12 0.64 0.00 0.00 175.55 175.07 3bjm s SER 59 N 0.45 6.54 0.33 4.32 0.01 -1.26 -5.04 113.70 119.06 3bjm s SER 59 Ca 0.28 0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.93 3bjm s SER 59 Cb -0.05 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 3bjm s SER 59 CO -0.12 -0.82 -0.11 -1.48 0.41 0.00 0.00 173.24 171.11 3bjm s LEU 60 N 3.27 2.71 -0.11 2.44 -0.00 -1.26 -4.55 118.68 121.18 3bjm s LEU 60 Ca 0.33 -1.15 0.02 0.00 -0.00 0.00 0.00 54.13 53.33 3bjm s LEU 60 Cb -0.12 -1.04 0.01 0.00 -0.00 0.00 0.00 46.19 45.04 3bjm s LEU 60 CO 0.19 -0.15 -0.16 -0.13 -0.00 0.00 0.00 176.35 176.10 3bjm s ARG 61 N -3.59 2.30 0.08 1.48 0.52 -0.70 -4.96 118.95 114.07 3bjm s ARG 61 Ca 0.32 -0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 54.63 3bjm s ARG 61 Cb 0.01 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 3bjm s ARG 61 CO 0.16 -0.03 1.21 -1.58 0.02 0.00 0.00 175.30 175.08 3bjm s TRP 62 N 0.89 3.43 -0.87 -0.53 0.52 -1.26 -0.59 118.94 120.54 3bjm s TRP 62 Ca -0.08 1.30 0.08 0.00 0.02 0.00 0.00 56.10 57.42 3bjm s TRP 62 Cb -0.15 -3.43 0.16 0.00 -1.15 0.00 0.00 33.47 28.90 3bjm s TRP 62 CO -0.00 -1.31 1.00 0.44 0.02 0.00 0.00 176.95 177.10 3bjm n ILE 63 N 3.78 0.55 -3.05 2.03 -5.35 -0.81 -4.93 119.36 111.58 3bjm n ILE 63 Ca 0.09 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 3bjm n ILE 63 Cb 0.46 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3bjm n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3bjm n SER 64 N 0.37 0.00 0.17 7.28 3.41 -1.22 -4.95 113.62 118.68 3bjm n SER 64 Ca 0.07 -0.36 0.13 0.00 -0.26 0.00 0.00 58.87 58.45 3bjm n SER 64 Cb 0.31 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.65 3bjm n SER 64 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3bjm h ASP 65 N 0.00 0.00 0.00 4.04 2.03 -1.93 -2.60 116.42 117.95 3bjm h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3bjm h ASP 65 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3bjm h ASP 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 3bjm n HIS 66 N -2.64 0.00 -4.25 4.15 1.44 -1.26 -4.41 115.22 108.24 3bjm n HIS 66 Ca 0.04 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.55 3bjm n HIS 66 Cb 0.41 0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.41 3bjm n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3bjm s GLU 67 N 0.00 1.04 0.04 -1.40 2.02 -1.26 0.46 118.70 119.61 3bjm s GLU 67 Ca 0.00 -1.18 -0.07 0.00 0.02 0.00 0.00 54.97 53.74 3bjm s GLU 67 Cb 0.00 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 3bjm s GLU 67 CO 0.00 0.23 0.14 1.52 0.02 0.00 0.00 175.26 177.16 3bjm s TYR 68 N -1.68 0.16 -0.14 1.61 -0.85 -0.68 -1.93 117.35 113.83 3bjm s TYR 68 Ca 0.07 -0.45 -0.08 0.00 -0.52 0.00 0.00 57.07 56.09 3bjm s TYR 68 Cb -0.07 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 3bjm s TYR 68 CO 0.04 -0.41 0.14 -0.51 -1.52 0.00 0.00 175.55 173.29 3bjm s LEU 69 N -2.22 4.34 -0.07 -3.49 1.43 0.25 -0.12 118.68 118.79 3bjm s LEU 69 Ca -0.03 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3bjm s LEU 69 Cb -0.00 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.19 3bjm s LEU 69 CO -0.05 0.35 0.16 -0.47 0.23 0.00 0.00 176.35 176.57 3bjm s TYR 70 N -0.68 -0.18 -0.22 0.29 5.04 0.28 -1.72 117.35 120.17 3bjm s TYR 70 Ca 0.13 0.52 -0.14 0.00 -2.44 0.00 0.00 57.07 55.14 3bjm s TYR 70 Cb -0.12 -0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.06 3bjm s TYR 70 CO 0.02 -0.19 0.34 -1.59 -1.34 0.00 0.00 175.55 172.80 3bjm s LYS 71 N 1.32 4.14 -0.12 4.97 -2.85 -1.26 -0.20 119.74 125.74 3bjm s LYS 71 Ca -0.08 0.07 0.03 0.00 -1.00 0.00 0.00 55.97 54.99 3bjm s LYS 71 Cb -0.12 -3.54 0.01 0.00 -2.06 0.00 0.00 37.83 32.12 3bjm s LYS 71 CO -0.06 -0.03 -0.21 -1.14 0.10 0.00 0.00 175.35 174.01 3bjm s GLN 72 N 1.29 2.83 7.97 1.78 0.74 0.50 -4.92 119.66 129.85 3bjm s GLN 72 Ca 0.16 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.78 3bjm s GLN 72 Cb -0.14 -2.24 0.00 0.00 1.10 0.00 0.00 33.01 31.72 3bjm s GLN 72 CO 0.07 0.05 0.00 0.39 -0.55 0.00 0.00 175.29 175.25 3bjm n GLU 73 N 3.89 0.00 -0.12 1.67 4.71 -1.26 -1.27 120.64 128.26 3bjm n GLU 73 Ca -0.20 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.01 3bjm n GLU 73 Cb 0.52 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 31.06 3bjm n GLU 73 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3bjm n ASN 74 N 8.46 2.54 -4.82 1.62 4.13 -1.26 -5.01 115.26 120.92 3bjm n ASN 74 Ca 0.00 -2.61 -0.37 0.00 1.68 0.00 0.00 54.58 53.28 3bjm n ASN 74 Cb 0.00 -0.29 -0.06 0.00 -1.54 0.00 0.00 39.78 37.89 3bjm n ASN 74 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3bjm s ASN 75 N -1.92 7.02 -0.28 6.41 0.01 -0.40 -3.78 114.94 122.00 3bjm s ASN 75 Ca 0.22 1.27 -0.13 0.00 -0.71 0.00 0.00 52.86 53.52 3bjm s ASN 75 Cb 0.18 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 3bjm s ASN 75 CO 0.04 0.18 0.26 -0.63 -1.51 0.00 0.00 177.10 175.44 3bjm s ILE 76 N -1.29 5.26 -0.03 0.60 1.01 0.23 -0.37 121.20 126.61 3bjm s ILE 76 Ca 0.34 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3bjm s ILE 76 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3bjm s ILE 76 CO 0.20 0.21 0.01 -0.76 0.00 0.00 0.00 174.94 174.59 3bjm s LEU 77 N 1.88 3.57 -0.17 2.97 1.43 0.72 0.20 118.68 129.28 3bjm s LEU 77 Ca 0.10 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3bjm s LEU 77 Cb -0.16 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3bjm s LEU 77 CO 0.11 0.31 0.03 0.54 0.23 0.00 0.00 176.35 177.57 3bjm s VAL 78 N -1.04 4.54 0.02 -1.59 0.11 -0.51 -0.55 120.40 121.38 3bjm s VAL 78 Ca 0.18 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 3bjm s VAL 78 Cb -0.11 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 3bjm s VAL 78 CO 0.08 0.47 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.87 3bjm s PHE 79 N 0.34 2.79 -0.33 1.54 0.40 0.83 -2.07 117.98 121.47 3bjm s PHE 79 Ca 0.01 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 3bjm s PHE 79 Cb -0.13 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.84 3bjm s PHE 79 CO 0.01 0.34 0.20 1.21 0.70 0.00 0.00 175.22 177.68 3bjm s ASN 80 N -1.48 5.79 0.20 1.36 3.84 -0.41 -1.69 114.94 122.55 3bjm s ASN 80 Ca 0.17 -0.51 -0.08 0.00 0.21 0.00 0.00 52.86 52.65 3bjm s ASN 80 Cb -0.11 -2.07 0.12 0.00 -0.55 0.00 0.00 41.25 38.64 3bjm s ASN 80 CO 0.07 -0.23 1.72 0.00 -2.79 0.00 0.00 177.10 175.88 3bjm h ALA 81 N 8.42 0.95 -0.51 1.71 0.00 -0.31 0.37 119.26 129.89 3bjm h ALA 81 Ca -0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3bjm h ALA 81 Cb 1.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3bjm h ALA 81 CO 0.63 0.67 0.05 1.49 0.00 0.00 0.00 179.25 182.09 3bjm h GLU 82 N 1.09 0.86 0.00 0.00 4.57 -1.95 -3.32 114.58 115.83 3bjm h GLU 82 Ca 0.23 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3bjm h GLU 82 Cb 0.37 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3bjm h GLU 82 CO 0.00 0.87 -0.52 0.66 -1.18 0.00 0.00 179.01 178.84 3bjm n TYR 83 N -4.37 0.00 -0.39 0.92 4.01 -1.14 -4.99 117.16 111.20 3bjm n TYR 83 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3bjm n TYR 83 Cb 0.28 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3bjm n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bjm n GLY 84 N 1.26 1.85 3.83 2.72 0.00 0.13 -5.00 105.19 109.98 3bjm n GLY 84 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3bjm n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjm s ASN 85 N -3.36 5.72 0.14 1.61 4.22 -1.25 -4.74 114.94 117.29 3bjm s ASN 85 Ca 0.00 1.57 -0.15 0.00 -2.14 0.00 0.00 52.86 52.14 3bjm s ASN 85 Cb 0.00 -2.49 0.03 0.00 1.28 0.00 0.00 41.25 40.06 3bjm s ASN 85 CO 0.00 -1.21 0.40 -0.94 -2.04 0.00 0.00 177.10 173.31 3bjm s SER 86 N -3.79 -0.19 0.10 3.54 1.04 -1.26 -1.28 113.70 111.86 3bjm s SER 86 Ca 0.58 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 3bjm s SER 86 Cb -0.13 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.50 3bjm s SER 86 CO 0.52 -0.89 0.34 -0.94 0.98 0.00 0.00 173.24 173.25 3bjm s SER 87 N -2.84 -0.15 -0.14 7.02 1.04 -0.88 -5.01 113.70 112.74 3bjm s SER 87 Ca 0.06 -0.35 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 3bjm s SER 87 Cb 0.02 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3bjm s SER 87 CO -0.09 -0.79 1.29 0.54 0.98 0.00 0.00 173.24 175.18 3bjm s VAL 88 N -3.58 4.21 -0.11 5.02 0.11 -1.26 -1.43 120.40 123.35 3bjm s VAL 88 Ca 0.02 1.47 -0.25 0.00 -2.93 0.00 0.00 61.98 60.29 3bjm s VAL 88 Cb 0.02 -3.95 -0.27 0.00 -1.53 0.00 0.00 36.38 30.65 3bjm s VAL 88 CO -0.10 -0.11 0.74 0.15 -3.33 0.00 0.00 175.10 172.45 3bjm h PHE 89 N 8.22 0.21 -3.37 1.54 3.57 -0.56 -3.46 116.94 123.10 3bjm h PHE 89 Ca -0.28 -0.15 -0.35 0.00 3.53 0.00 0.00 57.97 60.71 3bjm h PHE 89 Cb 1.12 -0.01 -0.38 0.00 2.79 0.00 0.00 35.95 39.47 3bjm h PHE 89 CO 0.80 1.19 -0.74 -1.17 -2.23 0.00 0.00 178.31 176.16 3bjm s LEU 90 N -8.02 0.40 0.29 0.59 0.20 -0.71 -5.00 118.68 106.43 3bjm s LEU 90 Ca -0.18 0.07 -0.28 0.00 0.69 0.00 0.00 54.13 54.42 3bjm s LEU 90 Cb -0.00 -0.12 -0.09 0.00 -0.43 0.00 0.00 46.19 45.54 3bjm s LEU 90 CO 0.73 -0.22 1.02 -0.70 -0.29 0.00 0.00 176.35 176.89 3bjm s GLU 91 N 1.86 4.64 0.27 1.98 2.12 -1.26 -0.60 118.70 127.70 3bjm s GLU 91 Ca 0.01 1.59 0.18 0.00 0.36 0.00 0.00 54.97 57.11 3bjm s GLU 91 Cb -0.12 -3.07 0.98 0.00 0.26 0.00 0.00 34.13 32.18 3bjm s GLU 91 CO -0.03 0.28 1.57 0.27 -0.54 0.00 0.00 175.26 176.80 3bjm n ASN 92 N 1.02 0.48 -1.86 -1.70 0.23 -1.25 -2.07 115.26 110.10 3bjm n ASN 92 Ca -0.00 0.71 -0.04 0.00 -0.53 0.00 0.00 54.58 54.72 3bjm n ASN 92 Cb 0.47 -0.78 0.30 0.00 -2.08 0.00 0.00 39.78 37.69 3bjm n ASN 92 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3bjm n SER 93 N -2.14 4.69 0.04 0.53 3.41 -1.26 -4.48 113.62 114.41 3bjm n SER 93 Ca -0.01 -3.23 -0.06 0.00 -0.26 0.00 0.00 58.87 55.32 3bjm n SER 93 Cb 0.05 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.17 3bjm n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bjm h THR 94 N 2.59 1.18 -0.14 6.66 2.02 -1.82 -3.37 112.91 120.03 3bjm h THR 94 Ca 0.23 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 64.53 3bjm h THR 94 Cb 2.22 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 71.19 3bjm h THR 94 CO 0.67 0.67 0.00 0.49 0.37 0.00 0.00 175.52 177.72 3bjm n PHE 95 N -3.18 0.27 -0.31 3.16 3.72 -1.26 -4.62 117.46 115.24 3bjm n PHE 95 Ca -0.07 -0.64 0.23 0.00 -0.05 0.00 0.00 57.45 56.92 3bjm n PHE 95 Cb 0.94 -0.10 0.53 0.00 -0.94 0.00 0.00 39.48 39.91 3bjm n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3bjm h ASP 96 N 0.85 0.41 -0.42 4.37 3.32 -1.84 0.39 116.42 123.48 3bjm h ASP 96 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3bjm h ASP 96 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3bjm h ASP 96 CO 0.03 0.09 0.00 -0.62 -1.72 0.00 0.00 179.24 177.02 3bjm n GLU 97 N -4.58 2.21 -0.02 3.56 -0.58 -1.26 -4.31 120.64 115.67 3bjm n GLU 97 Ca 0.24 -1.86 -0.02 0.00 -0.42 0.00 0.00 57.16 55.11 3bjm n GLU 97 Cb 0.88 -1.44 0.25 0.00 -0.57 0.00 0.00 31.44 30.55 3bjm n GLU 97 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3bjm h PHE 98 N 3.31 0.59 0.00 -0.32 3.57 -0.53 -3.47 116.94 120.09 3bjm h PHE 98 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3bjm h PHE 98 Cb 0.74 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3bjm h PHE 98 CO 0.28 0.62 0.00 0.41 -2.23 0.00 0.00 178.31 177.39 3bjm n GLY 99 N -0.71 3.08 3.93 2.40 0.00 -1.26 -5.03 105.19 107.61 3bjm n GLY 99 Ca 0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 3bjm n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bjm s HIS 100 N -0.06 3.48 -0.24 1.61 3.76 -1.26 -5.05 115.29 117.53 3bjm s HIS 100 Ca 0.00 0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.94 3bjm s HIS 100 Cb 0.00 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 3bjm s HIS 100 CO 0.00 0.35 1.39 0.45 -0.85 0.00 0.00 174.74 176.07 3bjm s SER 101 N -3.32 6.66 -0.11 1.40 0.15 -1.26 -4.98 113.70 112.24 3bjm s SER 101 Ca 0.38 1.47 -0.30 0.00 0.70 0.00 0.00 55.95 58.21 3bjm s SER 101 Cb -0.11 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 3bjm s SER 101 CO 0.30 -1.04 1.08 -0.63 1.20 0.00 0.00 173.24 174.15 3bjm s ILE 102 N 4.35 4.59 -0.03 6.45 1.01 -1.26 -4.54 121.20 131.78 3bjm s ILE 102 Ca 0.60 1.89 0.05 0.00 0.00 0.00 0.00 60.65 63.19 3bjm s ILE 102 Cb -0.21 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 37.80 3bjm s ILE 102 CO 0.23 -0.03 0.72 -1.13 0.00 0.00 0.00 174.94 174.72 3bjm h ASN 103 N 7.32 0.16 -5.57 3.58 -0.73 0.51 -3.49 115.58 117.36 3bjm h ASN 103 Ca -0.30 -0.30 0.26 0.00 1.87 0.00 0.00 56.30 57.83 3bjm h ASN 103 Cb 1.13 -0.05 -0.10 0.00 0.27 0.00 0.00 38.32 39.58 3bjm h ASN 103 CO 0.89 1.26 0.67 -0.62 -0.37 0.00 0.00 177.43 179.26 3bjm s ASP 104 N -6.53 -0.10 0.04 1.15 2.15 -1.07 -5.00 116.67 107.31 3bjm s ASP 104 Ca -0.08 -0.29 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 3bjm s ASP 104 Cb 0.08 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 3bjm s ASP 104 CO 0.82 -0.59 0.00 -0.72 -0.17 0.00 0.00 175.17 174.51 3bjm s TYR 105 N -2.75 0.35 -0.04 -5.34 -0.85 -1.26 -0.79 117.35 106.67 3bjm s TYR 105 Ca 0.14 -0.73 -0.01 0.00 -0.52 0.00 0.00 57.07 55.95 3bjm s TYR 105 Cb 0.02 -0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.13 3bjm s TYR 105 CO -0.01 -0.31 0.04 0.45 -1.52 0.00 0.00 175.55 174.20 3bjm s SER 106 N -2.20 0.87 -0.08 -0.18 0.15 -0.31 -4.94 113.70 107.00 3bjm s SER 106 Ca -0.04 0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 3bjm s SER 106 Cb -0.01 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 3bjm s SER 106 CO -0.05 -0.19 0.43 -0.63 1.20 0.00 0.00 173.24 173.99 3bjm s ILE 107 N 1.74 5.14 0.72 6.45 1.01 -1.26 0.74 121.20 135.74 3bjm s ILE 107 Ca -0.00 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 3bjm s ILE 107 Cb -0.12 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.62 3bjm s ILE 107 CO -0.03 0.42 1.18 -0.94 0.00 0.00 0.00 174.94 175.57 3bjm s SER 108 N 0.03 4.32 0.21 3.58 1.04 -0.84 -4.92 113.70 117.11 3bjm s SER 108 Ca 0.24 2.27 -0.10 0.00 0.48 0.00 0.00 55.95 58.85 3bjm s SER 108 Cb -0.15 -2.58 0.27 0.00 0.10 0.00 0.00 66.02 63.66 3bjm s SER 108 CO 0.11 -2.17 1.74 -0.65 0.98 0.00 0.00 173.24 173.25 3bjm h PRO 109 N -0.30 0.38 -0.35 4.02 0.11 -1.82 -1.93 132.00 132.12 3bjm h PRO 109 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bjm h PRO 109 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bjm h PRO 109 CO 0.50 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3bjm n ASP 110 N -5.00 1.00 0.00 -2.05 5.68 -1.19 -4.88 116.55 110.11 3bjm n ASP 110 Ca 0.08 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 3bjm n ASP 110 Cb 0.27 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3bjm n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bjm n GLY 111 N 0.54 0.26 0.09 6.12 0.00 -0.73 -4.85 105.19 106.62 3bjm n GLY 111 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 3bjm n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bjm h GLN 112 N 0.62 0.00 -4.73 1.61 4.20 -1.90 -3.46 115.11 111.45 3bjm h GLN 112 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3bjm h GLN 112 Cb 0.44 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.08 3bjm h GLN 112 CO 0.00 0.51 -0.68 -0.06 -0.67 0.00 0.00 178.83 177.93 3bjm s PHE 113 N -2.76 1.04 -0.00 2.96 0.08 -1.26 -0.68 117.98 117.35 3bjm s PHE 113 Ca -0.02 -0.96 0.01 0.00 0.12 0.00 0.00 56.93 56.09 3bjm s PHE 113 Cb 0.08 -0.59 -0.00 0.00 -0.57 0.00 0.00 43.02 41.94 3bjm s PHE 113 CO 0.81 -0.17 -0.05 -1.50 -0.10 0.00 0.00 175.22 174.21 3bjm s ILE 114 N -3.63 0.35 -0.15 0.64 2.07 -0.99 -1.99 121.20 117.50 3bjm s ILE 114 Ca 0.17 -0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 59.00 3bjm s ILE 114 Cb 0.05 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 3bjm s ILE 114 CO -0.01 0.08 0.55 -0.76 -1.91 0.00 0.00 174.94 172.90 3bjm s LEU 115 N -0.16 4.21 -0.18 8.50 1.43 0.23 -1.91 118.68 130.80 3bjm s LEU 115 Ca 0.01 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 3bjm s LEU 115 Cb -0.02 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3bjm s LEU 115 CO -0.00 -0.13 0.00 -0.76 0.23 0.00 0.00 176.35 175.69 3bjm s LEU 116 N 1.23 3.42 -0.24 1.79 1.43 0.65 -1.16 118.68 125.80 3bjm s LEU 116 Ca 0.28 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3bjm s LEU 116 Cb -0.16 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3bjm s LEU 116 CO 0.11 0.14 -0.04 -0.70 0.23 0.00 0.00 176.35 176.10 3bjm s GLU 117 N 0.54 3.12 0.34 1.70 2.12 0.03 -1.41 118.70 125.13 3bjm s GLU 117 Ca -0.01 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.57 3bjm s GLU 117 Cb -0.14 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 3bjm s GLU 117 CO 0.02 -0.31 0.16 2.48 -0.54 0.00 0.00 175.26 177.07 3bjm n TYR 118 N 4.75 -0.11 -3.86 5.30 4.11 -0.72 0.12 117.16 126.75 3bjm n TYR 118 Ca -0.17 -2.32 -0.29 0.00 -0.00 0.00 0.00 57.90 55.11 3bjm n TYR 118 Cb 0.49 0.07 0.03 0.00 -0.00 0.00 0.00 39.34 39.93 3bjm n TYR 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3bjm n ASN 119 N -1.67 -5.05 -4.69 9.48 3.02 -1.26 0.03 115.26 115.11 3bjm n ASN 119 Ca -0.02 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 3bjm n ASN 119 Cb 0.53 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.65 3bjm n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bjm s TYR 120 N -3.29 2.44 -0.19 3.10 6.14 -1.26 -4.18 117.35 120.11 3bjm s TYR 120 Ca 0.65 0.33 -0.01 0.00 0.64 0.00 0.00 57.07 58.69 3bjm s TYR 120 Cb -0.32 -3.96 0.05 0.00 0.42 0.00 0.00 41.96 38.15 3bjm s TYR 120 CO 0.80 -3.85 -0.03 0.08 0.64 0.00 0.00 175.55 173.20 3bjm s VAL 121 N 2.59 1.07 0.26 3.14 1.01 -0.39 -5.02 120.40 123.06 3bjm s VAL 121 Ca 0.74 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3bjm s VAL 121 Cb -0.40 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3bjm s VAL 121 CO 0.32 -0.02 1.28 -0.75 0.00 0.00 0.00 175.10 175.94 3bjm s LYS 122 N 1.63 4.41 0.00 2.72 2.20 -1.26 -1.28 119.74 128.16 3bjm s LYS 122 Ca -0.01 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 3bjm s LYS 122 Cb -0.17 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3bjm s LYS 122 CO -0.07 -0.17 0.00 0.94 -0.36 0.00 0.00 175.35 175.69 3bjm n GLN 123 N 1.77 0.00 0.00 4.03 7.27 0.34 -4.91 117.38 125.89 3bjm n GLN 123 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3bjm n GLN 123 Cb 0.43 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.08 3bjm n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3bjm n TRP 124 N 0.00 0.00 -0.02 3.69 5.03 -1.20 -4.94 117.44 120.01 3bjm n TRP 124 Ca 0.00 0.00 -0.08 0.00 3.03 0.00 0.00 57.50 60.45 3bjm n TRP 124 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 31.31 30.37 3bjm n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3bjm h ARG 125 N 0.00 0.60 0.00 -0.99 2.43 -1.99 -3.36 114.38 111.07 3bjm h ARG 125 Ca 0.00 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3bjm h ARG 125 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3bjm h ARG 125 CO 0.00 0.90 -1.09 0.72 -1.51 0.00 0.00 179.97 178.99 3bjm n HIS 126 N -4.03 0.00 -2.76 2.20 8.25 -1.26 -5.07 115.22 112.55 3bjm n HIS 126 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3bjm n HIS 126 Cb 0.52 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 3bjm n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3bjm s SER 127 N -2.84 6.82 -0.04 0.41 1.04 -1.26 -4.69 113.70 113.15 3bjm s SER 127 Ca -0.01 1.58 -0.29 0.00 0.48 0.00 0.00 55.95 57.71 3bjm s SER 127 Cb 0.01 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.73 3bjm s SER 127 CO 0.06 -0.40 0.92 -0.72 0.98 0.00 0.00 173.24 174.08 3bjm s TYR 128 N -2.27 -0.34 0.27 5.02 -0.85 -1.26 -0.50 117.35 117.41 3bjm s TYR 128 Ca 0.60 0.29 0.07 0.00 -0.52 0.00 0.00 57.07 57.50 3bjm s TYR 128 Cb -0.09 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3bjm s TYR 128 CO 0.19 -0.50 0.28 0.95 -1.52 0.00 0.00 175.55 174.95 3bjm s THR 129 N -2.74 4.45 0.18 -3.49 -4.23 -0.40 -4.54 115.64 104.86 3bjm s THR 129 Ca 0.04 -1.26 -0.24 0.00 -1.18 0.00 0.00 61.69 59.05 3bjm s THR 129 Cb -0.01 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.41 3bjm s THR 129 CO -0.07 -0.30 0.84 0.00 -0.54 0.00 0.00 174.62 174.55 3bjm s ALA 130 N -2.13 -1.53 0.18 3.99 0.00 -0.32 -1.27 121.76 120.69 3bjm s ALA 130 Ca 0.36 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3bjm s ALA 130 Cb -0.08 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3bjm s ALA 130 CO 0.27 -0.98 0.32 -1.12 0.00 0.00 0.00 175.76 174.25 3bjm s SER 131 N -2.87 6.34 -0.01 0.00 0.01 0.10 -1.44 113.70 115.84 3bjm s SER 131 Ca 0.10 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3bjm s SER 131 Cb -0.03 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.31 3bjm s SER 131 CO 0.01 0.00 0.01 -0.31 0.41 0.00 0.00 173.24 173.37 3bjm s TYR 132 N -1.83 0.05 0.12 2.43 2.02 -1.26 -1.76 117.35 117.12 3bjm s TYR 132 Ca 0.35 0.06 0.11 0.00 -0.37 0.00 0.00 57.07 57.22 3bjm s TYR 132 Cb -0.10 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3bjm s TYR 132 CO 0.29 -0.05 -0.26 -0.51 -1.57 0.00 0.00 175.55 173.44 3bjm s ASP 133 N 0.59 3.21 -0.06 2.29 1.01 -0.50 -4.43 116.67 118.79 3bjm s ASP 133 Ca -0.05 -0.73 0.04 0.00 0.71 0.00 0.00 52.55 52.52 3bjm s ASP 133 Cb -0.07 -0.22 -0.02 0.00 1.01 0.00 0.00 42.92 43.62 3bjm s ASP 133 CO -0.02 0.17 -0.17 -0.63 0.21 0.00 0.00 175.17 174.74 3bjm s ILE 134 N -1.05 2.84 -0.16 0.77 1.01 -1.26 -0.25 121.20 123.10 3bjm s ILE 134 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3bjm s ILE 134 Cb -0.10 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.30 3bjm s ILE 134 CO 0.05 0.58 -0.13 -0.47 0.00 0.00 0.00 174.94 174.98 3bjm s TYR 135 N -0.53 2.19 -0.26 3.97 5.04 -0.80 -0.45 117.35 126.51 3bjm s TYR 135 Ca 0.07 -1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 53.12 3bjm s TYR 135 Cb -0.11 -1.58 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 3bjm s TYR 135 CO 0.01 -0.68 1.31 0.34 -1.34 0.00 0.00 175.55 175.19 3bjm s ASP 136 N 1.48 6.73 0.16 4.32 -1.08 0.37 -2.33 116.67 126.32 3bjm s ASP 136 Ca 0.03 1.37 -0.02 0.00 -0.52 0.00 0.00 52.55 53.42 3bjm s ASP 136 Cb -0.14 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 3bjm s ASP 136 CO -0.10 -1.00 1.40 -0.07 0.52 0.00 0.00 175.17 175.92 3bjm h LEU 137 N 10.61 0.47 -0.02 -1.34 3.38 -1.20 0.46 115.31 127.67 3bjm h LEU 137 Ca -0.27 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.28 3bjm h LEU 137 Cb 1.10 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.72 3bjm h LEU 137 CO 1.01 1.09 -0.36 0.78 0.09 0.00 0.00 178.44 181.05 3bjm h ASN 138 N 0.25 0.35 1.23 -0.43 2.35 -1.90 -3.15 115.58 114.28 3bjm h ASN 138 Ca -0.04 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 3bjm h ASN 138 Cb 1.38 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3bjm h ASN 138 CO 0.13 1.03 0.00 0.29 -1.65 0.00 0.00 177.43 177.24 3bjm n LYS 139 N -4.41 0.24 -3.64 0.81 5.02 -1.23 -4.93 118.16 110.02 3bjm n LYS 139 Ca -0.09 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 3bjm n LYS 139 Cb 0.54 -1.83 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3bjm n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bjm n ARG 140 N -2.27 -6.64 -3.86 1.97 1.74 0.15 -5.00 116.66 102.75 3bjm n ARG 140 Ca 0.04 0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 57.77 3bjm n ARG 140 Cb 0.36 -5.69 -0.09 0.00 -1.02 0.00 0.00 32.46 26.03 3bjm n ARG 140 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3bjm s GLN 141 N -6.07 0.64 0.35 5.56 -2.07 -0.83 -4.98 119.66 112.26 3bjm s GLN 141 Ca 0.35 -0.60 -0.27 0.00 -1.82 0.00 0.00 55.36 53.03 3bjm s GLN 141 Cb -0.16 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 31.93 3bjm s GLN 141 CO 0.76 -0.18 1.09 -0.51 -1.32 0.00 0.00 175.29 175.14 3bjm s LEU 142 N -1.96 4.33 0.16 2.60 1.02 -1.26 -0.48 118.68 123.09 3bjm s LEU 142 Ca -0.07 2.19 -0.30 0.00 0.02 0.00 0.00 54.13 55.97 3bjm s LEU 142 Cb -0.02 -3.91 -0.07 0.00 0.02 0.00 0.00 46.19 42.21 3bjm s LEU 142 CO -0.03 -0.37 1.02 -0.63 0.02 0.00 0.00 176.35 176.36 3bjm s ILE 143 N -1.40 4.15 0.00 -0.59 -1.09 0.40 -4.88 121.20 117.80 3bjm s ILE 143 Ca 0.52 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.81 3bjm s ILE 143 Cb -0.28 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3bjm s ILE 143 CO 0.35 0.33 0.00 0.35 -1.23 0.00 0.00 174.94 174.74 3bjm n THR 144 N 2.38 0.00 -3.71 2.92 -2.24 -1.26 -4.67 114.28 107.70 3bjm n THR 144 Ca 0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 3bjm n THR 144 Cb 0.47 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3bjm n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3bjm s GLU 145 N -1.98 3.63 -1.25 -0.78 -1.05 -1.26 -4.55 118.70 111.46 3bjm s GLU 145 Ca 0.00 0.02 -0.00 0.00 -0.15 0.00 0.00 54.97 54.83 3bjm s GLU 145 Cb 0.00 -3.09 -0.00 0.00 -0.44 0.00 0.00 34.13 30.60 3bjm s GLU 145 CO 0.00 0.65 0.84 0.39 0.95 0.00 0.00 175.26 178.09 3bjm n GLU 146 N 1.24 -5.66 -2.03 -4.83 -0.58 -1.26 -4.69 120.64 102.83 3bjm n GLU 146 Ca -0.12 0.73 -0.33 0.00 -0.42 0.00 0.00 57.16 57.01 3bjm n GLU 146 Cb 0.53 -5.50 0.02 0.00 -0.57 0.00 0.00 31.44 25.92 3bjm n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3bjm s ARG 147 N -5.68 3.18 0.18 3.49 0.52 -1.26 -4.81 118.95 114.57 3bjm s ARG 147 Ca 0.01 1.37 -0.31 0.00 -0.52 0.00 0.00 55.73 56.27 3bjm s ARG 147 Cb -0.00 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 3bjm s ARG 147 CO 0.77 -0.94 1.52 0.42 0.02 0.00 0.00 175.30 177.09 3bjm s ILE 148 N -2.23 2.70 0.85 1.52 1.01 -1.26 -4.96 121.20 118.83 3bjm s ILE 148 Ca 0.67 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.73 3bjm s ILE 148 Cb -0.19 -3.33 0.11 0.00 0.01 0.00 0.00 42.46 39.05 3bjm s ILE 148 CO 0.35 0.05 1.14 -2.84 0.00 0.00 0.00 174.94 173.64 3bjm s PRO 149 N 0.79 1.47 0.77 2.79 0.02 -1.26 -4.50 135.00 135.08 3bjm s PRO 149 Ca 0.67 1.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 3bjm s PRO 149 Cb -0.43 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.37 3bjm s PRO 149 CO 0.34 -2.28 1.15 -0.80 -0.33 0.00 0.00 177.00 175.08 3bjm s ASN 150 N -2.72 4.12 -1.30 2.53 0.01 -1.26 -3.68 114.94 112.64 3bjm s ASN 150 Ca 0.67 2.14 -0.00 0.00 -0.71 0.00 0.00 52.86 54.96 3bjm s ASN 150 Cb -0.23 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.87 3bjm s ASN 150 CO 0.55 -2.30 0.02 0.59 -1.51 0.00 0.00 177.10 174.45 3bjm n ASN 151 N -3.18 -4.62 -4.77 -1.22 3.02 -1.15 -4.97 115.26 98.37 3bjm n ASN 151 Ca 0.12 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 3bjm n ASN 151 Cb 0.52 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.92 3bjm n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3bjm s THR 152 N -2.77 3.10 -0.14 3.41 2.01 -0.52 -4.64 115.64 116.08 3bjm s THR 152 Ca 0.01 1.05 0.18 0.00 0.31 0.00 0.00 61.69 63.24 3bjm s THR 152 Cb -0.01 -3.65 -0.25 0.00 0.01 0.00 0.00 72.50 68.61 3bjm s THR 152 CO 0.01 0.21 0.29 0.00 -0.69 0.00 0.00 174.62 174.45 3bjm n GLN 153 N 0.72 0.67 -3.60 4.92 6.02 0.24 -1.17 117.38 125.17 3bjm n GLN 153 Ca 0.01 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.86 3bjm n GLN 153 Cb 0.44 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 3bjm n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3bjm s TRP 154 N -2.76 -0.70 0.01 1.08 -0.11 -1.22 -4.56 118.94 110.69 3bjm s TRP 154 Ca -0.08 1.57 -0.00 0.00 1.22 0.00 0.00 56.10 58.80 3bjm s TRP 154 Cb 0.08 0.32 -0.01 0.00 -1.50 0.00 0.00 33.47 32.36 3bjm s TRP 154 CO 0.84 -0.41 -0.01 0.08 -4.62 0.00 0.00 176.95 172.83 3bjm s VAL 155 N -0.09 0.08 -0.25 5.86 1.01 -1.26 0.03 120.40 125.77 3bjm s VAL 155 Ca -0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 3bjm s VAL 155 Cb -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.22 3bjm s VAL 155 CO 0.02 -0.35 0.62 0.28 0.00 0.00 0.00 175.10 175.67 3bjm s THR 156 N -1.04 -0.01 0.67 3.92 -1.32 -0.33 -5.00 115.64 112.53 3bjm s THR 156 Ca -0.11 0.02 -0.17 0.00 -1.21 0.00 0.00 61.69 60.22 3bjm s THR 156 Cb -0.07 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 70.02 3bjm s THR 156 CO -0.01 0.01 1.21 0.26 -2.21 0.00 0.00 174.62 173.88 3bjm s TRP 157 N 1.55 2.21 0.90 9.09 0.52 -1.26 -2.00 118.94 129.94 3bjm s TRP 157 Ca -0.10 1.55 -0.10 0.00 0.02 0.00 0.00 56.10 57.47 3bjm s TRP 157 Cb -0.06 -3.48 0.14 0.00 -1.15 0.00 0.00 33.47 28.92 3bjm s TRP 157 CO -0.18 -2.46 1.13 -1.54 0.02 0.00 0.00 176.95 173.93 3bjm s SER 158 N -1.85 3.11 0.43 2.95 1.04 -0.73 -4.90 113.70 113.75 3bjm s SER 158 Ca 0.76 2.09 0.29 0.00 0.48 0.00 0.00 55.95 59.57 3bjm s SER 158 Cb -0.30 -2.54 1.18 0.00 0.10 0.00 0.00 66.02 64.45 3bjm s SER 158 CO 0.40 -2.97 1.87 -0.65 0.98 0.00 0.00 173.24 172.87 3bjm h PRO 159 N -1.78 0.00 -3.70 4.02 0.11 -1.86 -3.43 132.00 125.36 3bjm h PRO 159 Ca -0.44 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 3bjm h PRO 159 Cb 1.26 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.10 3bjm h PRO 159 CO 0.44 0.00 -0.70 0.08 -0.21 0.00 0.00 178.00 177.60 3bjm s VAL 160 N -3.51 0.00 0.00 3.15 1.01 -1.26 -4.80 120.40 115.00 3bjm s VAL 160 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3bjm s VAL 160 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.43 3bjm s VAL 160 CO 0.49 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3bjm n GLY 161 N 3.02 0.39 1.89 4.51 0.00 -1.26 -4.47 105.19 109.28 3bjm n GLY 161 Ca -0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 3bjm n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3bjm n HIS 162 N 10.88 -0.10 -1.95 1.61 1.44 -1.26 -3.15 115.22 122.69 3bjm n HIS 162 Ca 0.00 -1.10 -0.35 0.00 -2.01 0.00 0.00 57.72 54.27 3bjm n HIS 162 Cb 0.00 0.32 0.03 0.00 0.12 0.00 0.00 29.99 30.47 3bjm n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3bjm s LYS 163 N -0.84 2.95 -0.06 -1.40 1.02 -1.26 -4.59 119.74 115.57 3bjm s LYS 163 Ca 0.19 1.62 0.05 0.00 0.02 0.00 0.00 55.97 57.85 3bjm s LYS 163 Cb 0.28 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.64 3bjm s LYS 163 CO -0.09 -1.17 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.45 3bjm s LEU 164 N -4.34 1.97 -0.08 3.17 1.43 0.45 -1.78 118.68 119.51 3bjm s LEU 164 Ca 0.72 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3bjm s LEU 164 Cb -0.25 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 3bjm s LEU 164 CO 0.35 0.18 -0.24 0.00 0.23 0.00 0.00 176.35 176.87 3bjm s ALA 165 N 0.06 2.13 0.08 4.21 0.00 -0.85 0.41 121.76 127.79 3bjm s ALA 165 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3bjm s ALA 165 Cb -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3bjm s ALA 165 CO 0.04 0.34 -0.00 1.52 0.00 0.00 0.00 175.76 177.66 3bjm s TYR 166 N 0.11 0.64 -0.10 0.00 -0.85 -0.30 -1.19 117.35 115.67 3bjm s TYR 166 Ca -0.12 -1.12 0.02 0.00 -0.52 0.00 0.00 57.07 55.34 3bjm s TYR 166 Cb -0.16 -0.42 -0.01 0.00 0.38 0.00 0.00 41.96 41.75 3bjm s TYR 166 CO 0.06 -0.42 -0.17 0.08 -1.52 0.00 0.00 175.55 173.58 3bjm s VAL 167 N -3.96 2.74 -0.05 -3.49 1.01 0.10 -0.43 120.40 116.33 3bjm s VAL 167 Ca 0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3bjm s VAL 167 Cb 0.08 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3bjm s VAL 167 CO -0.06 0.55 0.11 0.86 0.00 0.00 0.00 175.10 176.56 3bjm s TRP 168 N 0.03 -0.12 -1.09 5.22 -0.00 0.16 -0.59 118.94 122.55 3bjm s TRP 168 Ca -0.06 0.35 -0.06 0.00 -0.00 0.00 0.00 56.10 56.33 3bjm s TRP 168 Cb -0.15 -0.05 0.05 0.00 -0.00 0.00 0.00 33.47 33.32 3bjm s TRP 168 CO 0.05 -0.11 0.30 0.09 -0.00 0.00 0.00 176.95 177.28 3bjm n ASN 169 N 3.70 -3.39 0.00 5.86 5.03 -1.26 -0.91 115.26 124.29 3bjm n ASN 169 Ca -0.21 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.09 3bjm n ASN 169 Cb 0.55 -2.85 0.00 0.00 -1.02 0.00 0.00 39.78 36.46 3bjm n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3bjm n ASN 170 N -2.07 -3.06 -4.65 6.41 4.13 -1.26 -4.41 115.26 110.35 3bjm n ASN 170 Ca -0.04 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.95 3bjm n ASN 170 Cb 0.55 -0.90 -0.08 0.00 -1.54 0.00 0.00 39.78 37.81 3bjm n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3bjm s ASP 171 N -2.10 4.72 -0.10 6.41 1.01 -0.09 -1.95 116.67 124.57 3bjm s ASP 171 Ca 0.00 -0.40 -0.15 0.00 0.71 0.00 0.00 52.55 52.71 3bjm s ASP 171 Cb 0.00 -0.99 -0.05 0.00 1.01 0.00 0.00 42.92 42.89 3bjm s ASP 171 CO 0.00 0.10 0.38 -0.63 0.21 0.00 0.00 175.17 175.23 3bjm s ILE 172 N -1.68 5.19 0.11 0.77 1.01 -1.26 -0.67 121.20 124.68 3bjm s ILE 172 Ca 0.27 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.74 3bjm s ILE 172 Cb -0.09 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3bjm s ILE 172 CO 0.18 0.44 -0.19 -0.31 0.00 0.00 0.00 174.94 175.06 3bjm s TYR 173 N -0.02 1.68 -0.06 3.97 1.51 0.43 -0.73 117.35 124.12 3bjm s TYR 173 Ca 0.21 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3bjm s TYR 173 Cb -0.15 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3bjm s TYR 173 CO 0.09 0.20 -0.10 0.08 -1.11 0.00 0.00 175.55 174.71 3bjm s VAL 174 N -1.44 0.96 -0.22 0.71 1.01 -0.33 -1.14 120.40 119.94 3bjm s VAL 174 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3bjm s VAL 174 Cb -0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3bjm s VAL 174 CO 0.04 0.32 -0.02 -0.54 0.00 0.00 0.00 175.10 174.90 3bjm s LYS 175 N 0.83 3.45 0.09 2.72 1.02 0.16 -0.28 119.74 127.74 3bjm s LYS 175 Ca -0.12 -0.59 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 3bjm s LYS 175 Cb -0.15 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 3bjm s LYS 175 CO 0.02 -0.18 1.42 0.82 -0.92 0.00 0.00 175.35 176.51 3bjm h ILE 176 N 5.65 1.31 -4.24 2.17 1.08 -1.86 0.13 117.51 121.74 3bjm h ILE 176 Ca -0.40 -1.38 -0.51 0.00 -0.39 0.00 0.00 64.86 62.18 3bjm h ILE 176 Cb 1.17 1.59 -0.29 0.00 -3.07 0.00 0.00 36.82 36.21 3bjm h ILE 176 CO 0.60 0.44 -0.82 -1.61 -0.69 0.00 0.00 178.15 176.07 3bjm s GLU 177 N -4.42 1.24 0.62 2.37 0.41 -1.26 -4.20 118.70 113.45 3bjm s GLU 177 Ca -0.13 -0.56 0.37 0.00 -0.41 0.00 0.00 54.97 54.24 3bjm s GLU 177 Cb 0.08 -1.20 2.00 0.00 -1.78 0.00 0.00 34.13 33.24 3bjm s GLU 177 CO 0.81 0.33 2.12 -1.35 -0.49 0.00 0.00 175.26 176.68 3bjm h PRO 178 N 5.73 0.00 -0.21 0.39 0.11 -1.87 -1.21 132.00 134.95 3bjm h PRO 178 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3bjm h PRO 178 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bjm h PRO 178 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 3bjm n ASN 179 N -2.89 2.92 -4.67 -2.05 6.94 -1.26 -4.88 115.26 109.36 3bjm n ASN 179 Ca -0.02 -2.40 -0.26 0.00 -0.02 0.00 0.00 54.58 51.88 3bjm n ASN 179 Cb 0.17 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 3bjm n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3bjm s LEU 180 N -1.71 3.33 0.45 -4.53 1.02 -0.46 -4.71 118.68 112.08 3bjm s LEU 180 Ca 0.24 -0.41 -0.25 0.00 0.02 0.00 0.00 54.13 53.74 3bjm s LEU 180 Cb 0.17 -1.96 -0.09 0.00 0.02 0.00 0.00 46.19 44.33 3bjm s LEU 180 CO 0.09 0.07 1.26 -2.65 0.02 0.00 0.00 176.35 175.14 3bjm n PRO 181 N -0.26 1.82 -2.72 1.29 -0.02 -1.26 -4.81 135.00 129.04 3bjm n PRO 181 Ca -0.09 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 3bjm n PRO 181 Cb 0.56 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3bjm n PRO 181 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3bjm s SER 182 N -0.63 6.63 -0.19 2.55 1.04 -1.26 -4.77 113.70 117.07 3bjm s SER 182 Ca 0.63 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 58.29 3bjm s SER 182 Cb -0.49 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.17 3bjm s SER 182 CO 0.56 -0.44 0.29 -0.31 0.98 0.00 0.00 173.24 174.32 3bjm s TYR 183 N -2.40 3.40 -0.08 5.02 1.51 0.62 -4.89 117.35 120.52 3bjm s TYR 183 Ca 0.55 0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 56.83 3bjm s TYR 183 Cb -0.10 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.35 3bjm s TYR 183 CO 0.28 0.12 1.04 0.50 -1.11 0.00 0.00 175.55 176.38 3bjm s ARG 184 N 0.87 4.43 -0.18 -0.62 3.52 -1.26 -1.19 118.95 124.51 3bjm s ARG 184 Ca 0.15 1.46 -0.03 0.00 -0.13 0.00 0.00 55.73 57.18 3bjm s ARG 184 Cb -0.14 -3.53 -0.22 0.00 -1.56 0.00 0.00 34.95 29.50 3bjm s ARG 184 CO 0.05 -0.31 0.10 -0.89 -0.81 0.00 0.00 175.30 173.45 3bjm n ILE 185 N 4.47 1.65 -4.33 4.11 2.08 0.09 -4.52 119.36 122.91 3bjm n ILE 185 Ca 0.09 -0.62 -0.22 0.00 0.56 0.00 0.00 62.75 62.56 3bjm n ILE 185 Cb 0.48 -1.59 -0.11 0.00 -0.75 0.00 0.00 39.64 37.68 3bjm n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3bjm s THR 186 N -2.54 1.82 0.00 1.39 -4.23 -1.21 -4.77 115.64 106.10 3bjm s THR 186 Ca -0.28 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 3bjm s THR 186 Cb 0.08 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3bjm s THR 186 CO 0.70 -0.30 0.47 0.79 -0.54 0.00 0.00 174.62 175.73 3bjm n TRP 187 N 0.32 0.00 1.04 3.99 7.02 -1.26 -4.55 117.44 124.00 3bjm n TRP 187 Ca -0.13 -0.10 0.11 0.00 -1.02 0.00 0.00 57.50 56.35 3bjm n TRP 187 Cb 0.57 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.49 3bjm n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3bjm n THR 188 N -0.10 0.00 -1.73 -0.99 -2.24 -1.26 -4.98 114.28 102.98 3bjm n THR 188 Ca 0.00 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3bjm n THR 188 Cb 0.19 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 3bjm n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bjm n GLY 189 N 1.45 1.29 3.19 3.38 0.00 -1.26 -4.71 105.19 108.53 3bjm n GLY 189 Ca 0.07 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 3bjm n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bjm s LYS 190 N -0.08 0.32 0.04 1.61 2.20 -0.94 -4.88 119.74 118.01 3bjm s LYS 190 Ca 0.68 0.69 -0.35 0.00 -0.36 0.00 0.00 55.97 56.62 3bjm s LYS 190 Cb -0.53 -0.06 -0.14 0.00 -1.51 0.00 0.00 37.83 35.59 3bjm s LYS 190 CO 0.45 -0.16 1.62 -1.91 -0.36 0.00 0.00 175.35 174.98 3bjm n GLU 191 N 4.25 1.84 -1.03 4.03 2.13 -1.26 -1.02 120.64 129.56 3bjm n GLU 191 Ca -0.24 0.67 -0.01 0.00 0.66 0.00 0.00 57.16 58.23 3bjm n GLU 191 Cb 0.54 -2.42 -0.00 0.00 0.27 0.00 0.00 31.44 29.83 3bjm n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3bjm n ASP 192 N 4.20 -4.35 0.07 4.31 8.00 -1.26 -4.76 116.55 122.77 3bjm n ASP 192 Ca 0.20 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3bjm n ASP 192 Cb 0.25 -1.95 0.00 0.00 -0.02 0.00 0.00 41.12 39.41 3bjm n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3bjm n ILE 193 N -2.56 0.14 -4.00 0.53 5.41 -0.19 -4.71 119.36 113.97 3bjm n ILE 193 Ca -0.01 0.05 -0.34 0.00 1.00 0.00 0.00 62.75 63.44 3bjm n ILE 193 Cb 0.24 -0.71 -0.15 0.00 -0.71 0.00 0.00 39.64 38.31 3bjm n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3bjm s ILE 194 N -2.00 2.74 -0.25 1.39 -1.09 -0.36 -0.35 121.20 121.28 3bjm s ILE 194 Ca 0.00 -0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 3bjm s ILE 194 Cb 0.00 -2.24 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 3bjm s ILE 194 CO 0.00 0.43 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.79 3bjm s TYR 195 N 1.37 3.07 -0.29 3.97 1.51 -0.32 -2.22 117.35 124.45 3bjm s TYR 195 Ca 0.05 -1.46 -0.09 0.00 -1.01 0.00 0.00 57.07 54.55 3bjm s TYR 195 Cb -0.14 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 3bjm s TYR 195 CO -0.08 -0.70 0.12 -0.80 -1.11 0.00 0.00 175.55 172.98 3bjm s ASN 196 N 1.35 5.41 0.00 2.29 0.01 -0.82 -1.03 114.94 122.15 3bjm s ASN 196 Ca 0.01 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 3bjm s ASN 196 Cb -0.17 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.52 3bjm s ASN 196 CO -0.04 -0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 3bjm n GLY 197 N 4.96 0.89 3.07 0.66 0.00 -0.50 -4.26 105.19 110.01 3bjm n GLY 197 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3bjm n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bjm s ILE 198 N -3.56 0.25 0.45 -0.61 -4.36 -1.26 -0.05 121.20 112.06 3bjm s ILE 198 Ca 0.00 -1.55 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 3bjm s ILE 198 Cb 0.00 -1.17 -0.08 0.00 1.25 0.00 0.00 42.46 42.46 3bjm s ILE 198 CO 0.00 -0.83 0.90 0.42 0.24 0.00 0.00 174.94 175.67 3bjm s THR 199 N -3.14 4.59 0.62 8.37 -4.23 -0.00 -4.71 115.64 117.14 3bjm s THR 199 Ca 0.01 1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 61.52 3bjm s THR 199 Cb 0.02 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.31 3bjm s THR 199 CO -0.07 -0.52 0.85 -0.90 -0.54 0.00 0.00 174.62 173.44 3bjm n ASP 200 N -1.19 0.23 0.06 3.99 5.75 -1.26 -4.78 116.55 119.35 3bjm n ASP 200 Ca 0.05 -1.41 -0.12 0.00 -0.01 0.00 0.00 54.79 53.31 3bjm n ASP 200 Cb 0.54 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 3bjm n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3bjm h TRP 201 N -1.32 -0.26 0.00 2.11 7.01 -1.99 -1.42 115.95 120.07 3bjm h TRP 201 Ca -0.28 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.67 3bjm h TRP 201 Cb 0.80 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 3bjm h TRP 201 CO 0.00 -0.16 -0.28 -0.24 -2.79 0.00 0.00 178.44 174.97 3bjm h VAL 202 N -0.19 0.60 0.07 2.65 3.04 -1.95 -1.85 116.25 118.62 3bjm h VAL 202 Ca 0.03 -1.40 -0.28 0.00 -1.01 0.00 0.00 66.70 64.04 3bjm h VAL 202 Cb 0.22 1.95 0.02 0.00 -2.01 0.00 0.00 31.29 31.48 3bjm h VAL 202 CO -0.08 0.28 -1.15 1.88 -1.01 0.00 0.00 177.57 177.49 3bjm h TYR 203 N 0.00 0.96 -0.63 3.17 -1.99 -1.87 -1.73 116.97 114.88 3bjm h TYR 203 Ca -0.00 -0.57 -0.02 0.00 2.00 0.00 0.00 58.73 60.14 3bjm h TYR 203 Cb 0.93 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.54 3bjm h TYR 203 CO 0.00 1.41 0.32 1.49 -0.00 0.00 0.00 178.16 181.38 3bjm h GLU 204 N 0.31 0.90 0.16 4.88 4.81 -1.08 -0.31 114.58 124.24 3bjm h GLU 204 Ca -0.15 -0.12 -0.32 0.00 -0.13 0.00 0.00 59.36 58.63 3bjm h GLU 204 Cb 1.81 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 31.03 3bjm h GLU 204 CO 0.22 0.71 -1.53 1.49 -0.73 0.00 0.00 179.01 179.16 3bjm h GLU 205 N 0.86 0.34 0.00 1.92 4.57 -1.40 -2.40 114.58 118.48 3bjm h GLU 205 Ca 0.22 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3bjm h GLU 205 Cb 0.09 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3bjm h GLU 205 CO -0.03 1.24 -0.51 0.39 -1.18 0.00 0.00 179.01 178.92 3bjm n GLU 206 N -3.55 3.90 0.02 1.92 -0.58 -0.65 -4.62 120.64 117.09 3bjm n GLU 206 Ca -0.17 -0.01 -0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3bjm n GLU 206 Cb 1.06 -0.82 -0.00 0.00 -0.57 0.00 0.00 31.44 31.11 3bjm n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3bjm n VAL 207 N -1.27 0.63 1.07 2.62 0.31 -0.96 -4.86 118.33 115.88 3bjm n VAL 207 Ca 0.00 0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.66 3bjm n VAL 207 Cb 0.08 -1.31 0.19 0.00 -0.91 0.00 0.00 33.84 31.89 3bjm n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3bjm n PHE 208 N -3.02 0.00 -4.08 3.52 3.72 -0.17 -4.96 117.46 112.47 3bjm n PHE 208 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 3bjm n PHE 208 Cb 0.01 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 3bjm n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3bjm n SER 209 N -1.08 -1.85 -3.57 4.37 7.64 -0.94 -4.90 113.62 113.29 3bjm n SER 209 Ca 0.08 -1.00 -0.07 0.00 1.01 0.00 0.00 58.87 58.88 3bjm n SER 209 Cb 0.35 -2.92 -0.03 0.00 -1.01 0.00 0.00 64.21 60.60 3bjm n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjm s ALA 210 N -3.64 -1.97 0.03 -0.43 0.00 -0.99 -5.00 121.76 109.75 3bjm s ALA 210 Ca 0.37 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.88 3bjm s ALA 210 Cb -0.20 -0.37 -0.23 0.00 0.00 0.00 0.00 23.12 22.32 3bjm s ALA 210 CO 0.91 -0.47 0.94 -0.92 0.00 0.00 0.00 175.76 176.21 3bjm h TYR 211 N 2.20 0.10 -3.70 0.00 3.20 -1.87 -3.37 116.97 113.54 3bjm h TYR 211 Ca -0.15 -0.08 -0.53 0.00 3.14 0.00 0.00 58.73 61.11 3bjm h TYR 211 Cb 1.19 -0.00 0.07 0.00 1.54 0.00 0.00 36.73 39.52 3bjm h TYR 211 CO 0.27 1.09 0.71 0.45 -1.64 0.00 0.00 178.16 179.04 3bjm s SER 212 N -6.53 6.66 -0.28 -2.11 0.15 -1.26 -0.82 113.70 109.51 3bjm s SER 212 Ca -0.04 2.74 0.20 0.00 0.70 0.00 0.00 55.95 59.55 3bjm s SER 212 Cb 0.08 -2.64 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 3bjm s SER 212 CO 0.83 -0.65 1.10 0.00 1.20 0.00 0.00 173.24 175.72 3bjm n ALA 213 N 1.34 3.09 -2.32 5.45 0.00 0.93 -4.61 120.51 124.39 3bjm n ALA 213 Ca 0.03 -2.98 -0.31 0.00 0.00 0.00 0.00 53.44 50.18 3bjm n ALA 213 Cb 0.41 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.90 3bjm n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bjm s LEU 214 N -3.69 2.05 -0.26 0.00 1.43 -1.24 -2.02 118.68 114.94 3bjm s LEU 214 Ca 0.31 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3bjm s LEU 214 Cb 0.35 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 45.34 3bjm s LEU 214 CO -0.02 0.32 0.11 0.26 0.23 0.00 0.00 176.35 177.24 3bjm s TRP 215 N -0.60 0.62 0.30 0.29 0.51 0.61 -5.00 118.94 115.67 3bjm s TRP 215 Ca 0.10 -0.94 -0.30 0.00 -2.12 0.00 0.00 56.10 52.84 3bjm s TRP 215 Cb -0.10 -1.03 -0.11 0.00 -0.81 0.00 0.00 33.47 31.42 3bjm s TRP 215 CO -0.01 -0.76 1.55 -1.58 -0.51 0.00 0.00 176.95 175.64 3bjm s TRP 216 N 1.99 2.77 0.81 -1.98 0.52 -1.26 -1.84 118.94 119.96 3bjm s TRP 216 Ca 0.07 0.88 -0.11 0.00 0.02 0.00 0.00 56.10 56.96 3bjm s TRP 216 Cb -0.16 -4.02 0.08 0.00 -1.15 0.00 0.00 33.47 28.22 3bjm s TRP 216 CO -0.27 -3.34 1.13 -1.54 0.02 0.00 0.00 176.95 172.94 3bjm s SER 217 N 0.36 3.90 0.48 2.95 1.04 -0.17 -4.90 113.70 117.37 3bjm s SER 217 Ca 0.61 2.05 0.19 0.00 0.48 0.00 0.00 55.95 59.29 3bjm s SER 217 Cb -0.47 -2.55 1.22 0.00 0.10 0.00 0.00 66.02 64.32 3bjm s SER 217 CO 0.50 -2.45 2.00 -0.65 0.98 0.00 0.00 173.24 173.62 3bjm h PRO 218 N -1.20 0.18 -0.09 4.02 0.11 -1.90 -0.28 132.00 132.83 3bjm h PRO 218 Ca -0.44 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3bjm h PRO 218 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3bjm h PRO 218 CO 0.48 0.12 -0.56 -0.97 -0.21 0.00 0.00 178.00 176.86 3bjm h ASN 219 N 0.19 0.29 0.00 -2.05 -0.73 -1.90 -3.42 115.58 107.96 3bjm h ASN 219 Ca 0.25 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.26 3bjm h ASN 219 Cb 0.74 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.25 3bjm h ASN 219 CO -0.04 0.79 0.00 0.61 -0.37 0.00 0.00 177.43 178.42 3bjm n GLY 220 N 0.17 0.60 0.10 1.57 0.00 -0.12 -4.71 105.19 102.80 3bjm n GLY 220 Ca -0.02 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 3bjm n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bjm h THR 221 N 0.00 1.29 -3.06 2.61 2.02 -1.91 -3.46 112.91 110.41 3bjm h THR 221 Ca 0.00 -2.32 -0.66 0.00 0.77 0.00 0.00 66.41 64.20 3bjm h THR 221 Cb 0.00 2.82 -0.10 0.00 -1.74 0.00 0.00 68.15 69.14 3bjm h THR 221 CO 0.00 0.54 -0.56 -0.36 0.37 0.00 0.00 175.52 175.51 3bjm s PHE 222 N -2.35 3.32 -0.24 3.16 0.08 -1.26 0.46 117.98 121.15 3bjm s PHE 222 Ca -0.22 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.10 3bjm s PHE 222 Cb 0.02 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 3bjm s PHE 222 CO 0.69 0.57 -0.13 -1.17 -0.10 0.00 0.00 175.22 175.08 3bjm s LEU 223 N -1.57 3.16 0.03 -0.37 0.20 -0.41 -1.00 118.68 118.72 3bjm s LEU 223 Ca 0.21 -1.22 -0.09 0.00 0.69 0.00 0.00 54.13 53.73 3bjm s LEU 223 Cb -0.12 -1.54 -0.05 0.00 -0.43 0.00 0.00 46.19 44.05 3bjm s LEU 223 CO 0.12 -0.15 0.33 0.00 -0.29 0.00 0.00 176.35 176.36 3bjm s ALA 224 N 1.15 3.79 0.06 5.97 0.00 -0.76 -1.05 121.76 130.92 3bjm s ALA 224 Ca -0.06 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3bjm s ALA 224 Cb -0.18 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3bjm s ALA 224 CO -0.07 0.60 0.25 1.52 0.00 0.00 0.00 175.76 178.06 3bjm s TYR 225 N -1.30 -0.00 0.19 0.00 -0.85 0.21 -0.29 117.35 115.31 3bjm s TYR 225 Ca 0.29 -0.25 0.05 0.00 -0.52 0.00 0.00 57.07 56.64 3bjm s TYR 225 Cb -0.14 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3bjm s TYR 225 CO 0.16 -0.51 0.21 0.00 -1.52 0.00 0.00 175.55 173.89 3bjm s ALA 226 N -3.01 3.69 -0.06 9.51 0.00 -0.86 -1.02 121.76 130.01 3bjm s ALA 226 Ca -0.02 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3bjm s ALA 226 Cb 0.01 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.68 3bjm s ALA 226 CO -0.06 0.41 -0.07 -1.14 0.00 0.00 0.00 175.76 174.90 3bjm s GLN 227 N -3.44 1.17 -0.01 0.00 0.74 0.13 -1.41 119.66 116.84 3bjm s GLN 227 Ca 0.32 -0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.58 3bjm s GLN 227 Cb -0.09 -1.14 -0.03 0.00 1.10 0.00 0.00 33.01 32.85 3bjm s GLN 227 CO 0.25 -0.11 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.74 3bjm s PHE 228 N 1.10 2.83 -0.22 1.67 0.08 -0.20 -0.87 117.98 122.37 3bjm s PHE 228 Ca -0.08 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3bjm s PHE 228 Cb -0.14 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 3bjm s PHE 228 CO -0.01 0.33 -0.07 1.21 -0.10 0.00 0.00 175.22 176.58 3bjm s ASN 229 N -1.25 3.66 -0.01 1.36 3.84 0.58 -1.18 114.94 121.95 3bjm s ASN 229 Ca 0.15 -1.06 0.16 0.00 0.21 0.00 0.00 52.86 52.32 3bjm s ASN 229 Cb -0.11 -1.18 0.47 0.00 -0.55 0.00 0.00 41.25 39.88 3bjm s ASN 229 CO 0.05 -0.21 1.39 0.47 -2.79 0.00 0.00 177.10 176.02 3bjm n ASP 230 N 4.68 3.46 -0.31 -4.21 9.92 0.53 -1.16 116.55 129.46 3bjm n ASP 230 Ca -0.13 -2.06 0.09 0.00 -0.53 0.00 0.00 54.79 52.16 3bjm n ASP 230 Cb 0.45 -0.36 0.21 0.00 -0.64 0.00 0.00 41.12 40.78 3bjm n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3bjm h THR 231 N 2.98 0.14 -0.61 -3.53 2.02 -1.85 -0.76 112.91 111.31 3bjm h THR 231 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3bjm h THR 231 Cb 0.90 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3bjm h THR 231 CO 0.02 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.30 3bjm n GLU 232 N -5.46 3.11 -2.79 6.66 1.02 -1.26 -4.93 120.64 116.99 3bjm n GLU 232 Ca 0.18 -2.63 -0.42 0.00 -0.02 0.00 0.00 57.16 54.27 3bjm n GLU 232 Cb 0.60 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 3bjm n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3bjm s VAL 233 N -1.37 4.87 0.88 2.62 1.01 -0.29 -4.71 120.40 123.41 3bjm s VAL 233 Ca 0.44 1.88 -0.10 0.00 0.00 0.00 0.00 61.98 64.20 3bjm s VAL 233 Cb 0.26 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 32.52 3bjm s VAL 233 CO 0.26 0.10 1.12 -2.84 0.00 0.00 0.00 175.10 173.74 3bjm s PRO 234 N 1.48 1.37 -0.12 2.72 0.02 -1.26 -4.71 135.00 134.49 3bjm s PRO 234 Ca 0.46 1.36 -0.05 0.00 0.02 0.00 0.00 61.00 62.80 3bjm s PRO 234 Cb -0.19 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3bjm s PRO 234 CO 0.21 -2.33 0.05 -0.51 -0.33 0.00 0.00 177.00 174.09 3bjm s LEU 235 N -6.38 3.83 -0.03 -5.54 1.43 -1.26 -1.75 118.68 108.97 3bjm s LEU 235 Ca 0.65 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.81 3bjm s LEU 235 Cb -0.21 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3bjm s LEU 235 CO 0.58 0.32 0.35 -0.51 0.23 0.00 0.00 176.35 177.31 3bjm s ILE 236 N -0.52 5.14 -0.03 -0.59 -1.16 -0.09 -4.90 121.20 119.06 3bjm s ILE 236 Ca 0.10 0.70 0.03 0.00 -0.51 0.00 0.00 60.65 60.97 3bjm s ILE 236 Cb -0.12 -3.64 -0.00 0.00 0.61 0.00 0.00 42.46 39.31 3bjm s ILE 236 CO 0.02 0.58 -0.13 -1.61 -2.81 0.00 0.00 174.94 170.99 3bjm s GLU 237 N -0.99 1.29 0.15 3.50 2.02 -1.26 -1.69 118.70 121.71 3bjm s GLU 237 Ca 0.22 -0.44 -0.17 0.00 0.02 0.00 0.00 54.97 54.60 3bjm s GLU 237 Cb -0.16 -1.17 0.04 0.00 0.10 0.00 0.00 34.13 32.94 3bjm s GLU 237 CO 0.11 0.18 0.45 1.52 0.02 0.00 0.00 175.26 177.54 3bjm s TYR 238 N 0.08 -0.20 0.22 1.61 -0.85 -0.90 -4.98 117.35 112.32 3bjm s TYR 238 Ca -0.02 -0.11 -0.25 0.00 -0.52 0.00 0.00 57.07 56.16 3bjm s TYR 238 Cb -0.09 0.31 -0.09 0.00 0.38 0.00 0.00 41.96 42.47 3bjm s TYR 238 CO 0.01 -0.77 0.83 -1.12 -1.52 0.00 0.00 175.55 172.99 3bjm s SER 239 N -2.82 7.37 -0.13 -0.18 0.01 -1.26 -0.34 113.70 116.35 3bjm s SER 239 Ca 0.05 1.70 0.02 0.00 1.31 0.00 0.00 55.95 59.03 3bjm s SER 239 Cb 0.01 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.73 3bjm s SER 239 CO -0.10 0.11 -0.20 0.12 0.41 0.00 0.00 173.24 173.59 3bjm s PHE 240 N -1.31 2.43 -0.11 2.43 5.36 0.23 -4.68 117.98 122.32 3bjm s PHE 240 Ca 0.41 -1.21 0.16 0.00 -0.96 0.00 0.00 56.93 55.33 3bjm s PHE 240 Cb -0.22 -1.68 -0.16 0.00 -0.34 0.00 0.00 43.02 40.62 3bjm s PHE 240 CO 0.26 -0.57 0.75 0.66 -1.46 0.00 0.00 175.22 174.86 3bjm n TYR 241 N 4.13 0.92 -4.95 10.12 4.01 -1.26 -0.84 117.16 129.30 3bjm n TYR 241 Ca -0.20 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3bjm n TYR 241 Cb 0.51 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.45 3bjm n TYR 241 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3bjm n SER 242 N -2.89 -3.19 -4.75 7.72 2.88 -1.26 -4.75 113.62 107.38 3bjm n SER 242 Ca -0.12 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.08 3bjm n SER 242 Cb 0.88 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.40 3bjm n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3bjm s ASP 243 N -4.00 4.82 0.43 -3.46 1.01 -1.26 -4.88 116.67 109.33 3bjm s ASP 243 Ca 0.00 2.29 0.27 0.00 0.71 0.00 0.00 52.55 55.82 3bjm s ASP 243 Cb 0.00 -2.58 1.36 0.00 1.01 0.00 0.00 42.92 42.70 3bjm s ASP 243 CO 0.00 -1.83 1.65 -0.08 0.21 0.00 0.00 175.17 175.11 3bjm h GLU 244 N 0.28 0.14 0.00 8.23 4.81 -2.05 -0.61 114.58 125.37 3bjm h GLU 244 Ca -0.49 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3bjm h GLU 244 Cb 1.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3bjm h GLU 244 CO 0.53 0.09 -0.03 0.66 -0.73 0.00 0.00 179.01 179.53 3bjm h SER 245 N 0.14 0.00 -2.94 1.04 4.64 -1.93 -3.42 113.55 111.08 3bjm h SER 245 Ca 0.78 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.55 3bjm h SER 245 Cb 2.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.42 3bjm h SER 245 CO -0.42 0.03 0.84 -0.22 -0.87 0.00 0.00 176.83 176.19 3bjm s LEU 246 N -6.39 4.25 -0.06 5.97 0.20 -0.24 -4.93 118.68 117.48 3bjm s LEU 246 Ca -0.02 1.86 -0.22 0.00 0.69 0.00 0.00 54.13 56.44 3bjm s LEU 246 Cb 0.11 -3.55 -0.31 0.00 -0.43 0.00 0.00 46.19 42.01 3bjm s LEU 246 CO 0.51 -0.71 0.88 -0.61 -0.29 0.00 0.00 176.35 176.13 3bjm h GLN 247 N 8.00 0.28 -5.17 1.98 4.15 -1.88 -3.44 115.11 119.03 3bjm h GLN 247 Ca -0.32 -0.47 -0.63 0.00 0.77 0.00 0.00 58.65 57.99 3bjm h GLN 247 Cb 1.14 0.18 -0.20 0.00 0.21 0.00 0.00 27.48 28.81 3bjm h GLN 247 CO 0.93 1.23 -0.62 0.71 -1.93 0.00 0.00 178.83 179.15 3bjm s TYR 248 N -2.41 3.12 0.45 3.99 1.51 -1.26 -5.08 117.35 117.66 3bjm s TYR 248 Ca -0.14 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 3bjm s TYR 248 Cb 0.01 -2.10 -0.09 0.00 -0.11 0.00 0.00 41.96 39.67 3bjm s TYR 248 CO 0.82 -0.09 1.33 -2.30 -1.11 0.00 0.00 175.55 174.20 3bjm n PRO 249 N 4.03 1.99 -3.30 -1.71 -0.02 -1.26 -4.98 135.00 129.76 3bjm n PRO 249 Ca -0.17 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 3bjm n PRO 249 Cb 0.52 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3bjm n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3bjm s LYS 250 N -2.37 4.00 -0.25 -0.52 2.20 -0.02 -4.89 119.74 117.89 3bjm s LYS 250 Ca 0.62 0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 56.68 3bjm s LYS 250 Cb -0.48 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3bjm s LYS 250 CO 0.57 0.40 0.14 0.99 -0.36 0.00 0.00 175.35 177.09 3bjm s THR 251 N -1.60 5.07 0.09 3.43 2.01 -1.26 0.74 115.64 124.13 3bjm s THR 251 Ca 0.42 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 3bjm s THR 251 Cb -0.14 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 68.92 3bjm s THR 251 CO 0.20 0.32 0.61 -0.69 -0.69 0.00 0.00 174.62 174.36 3bjm s VAL 252 N 1.38 4.68 -0.07 3.82 1.01 0.54 -4.93 120.40 126.82 3bjm s VAL 252 Ca 0.07 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3bjm s VAL 252 Cb -0.15 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3bjm s VAL 252 CO 0.07 0.54 -0.05 -0.13 0.00 0.00 0.00 175.10 175.53 3bjm s ARG 253 N -1.15 1.02 -0.05 2.72 0.52 -1.26 -2.12 118.95 118.63 3bjm s ARG 253 Ca 0.30 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 3bjm s ARG 253 Cb -0.20 -1.12 0.02 0.00 0.52 0.00 0.00 34.95 34.17 3bjm s ARG 253 CO 0.20 -0.18 -0.06 0.08 0.02 0.00 0.00 175.30 175.36 3bjm s VAL 254 N 1.41 0.65 -0.02 3.52 1.01 -0.68 -4.95 120.40 121.34 3bjm s VAL 254 Ca -0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3bjm s VAL 254 Cb -0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 3bjm s VAL 254 CO -0.03 0.25 1.66 -2.84 0.00 0.00 0.00 175.10 174.13 3bjm s PRO 255 N 0.80 4.19 -0.27 2.72 0.02 -1.26 -0.91 135.00 140.29 3bjm s PRO 255 Ca -0.12 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.13 3bjm s PRO 255 Cb -0.14 -3.88 0.14 0.00 0.02 0.00 0.00 34.50 30.63 3bjm s PRO 255 CO 0.01 -0.81 0.35 -0.47 -0.33 0.00 0.00 177.00 175.75 3bjm s TYR 256 N 3.63 -0.72 -0.24 6.54 6.14 -0.72 -4.54 117.35 127.44 3bjm s TYR 256 Ca 0.74 0.31 -0.29 0.00 0.64 0.00 0.00 57.07 58.46 3bjm s TYR 256 Cb -0.35 -0.22 -0.00 0.00 0.42 0.00 0.00 41.96 41.80 3bjm s TYR 256 CO 0.31 -0.85 1.28 -1.25 0.64 0.00 0.00 175.55 175.67 3bjm s PRO 257 N 2.47 4.05 0.75 4.97 0.04 -1.26 -4.64 135.00 141.38 3bjm s PRO 257 Ca 0.10 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 3bjm s PRO 257 Cb -0.14 -3.82 0.08 0.00 0.04 0.00 0.00 34.50 30.65 3bjm s PRO 257 CO -0.25 -0.94 1.08 0.15 0.04 0.00 0.00 177.00 177.08 3bjm s LYS 258 N 3.87 2.03 -0.00 4.56 1.02 -1.26 -1.09 119.74 128.86 3bjm s LYS 258 Ca 0.55 -0.18 -0.33 0.00 0.02 0.00 0.00 55.97 56.03 3bjm s LYS 258 Cb -0.19 -2.09 -0.12 0.00 -0.52 0.00 0.00 37.83 34.91 3bjm s LYS 258 CO 0.19 -1.41 1.83 0.00 -0.92 0.00 0.00 175.35 175.03 3bjm n ALA 259 N -3.08 1.18 -0.06 5.17 0.00 -0.16 -1.39 120.51 122.17 3bjm n ALA 259 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3bjm n ALA 259 Cb 0.61 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3bjm n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bjm n GLY 260 N 4.21 0.91 3.94 0.00 0.00 -1.26 -4.85 105.19 108.15 3bjm n GLY 260 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3bjm n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjm s ALA 261 N -2.39 3.11 0.17 4.61 0.00 -0.49 -5.00 121.76 121.78 3bjm s ALA 261 Ca 0.00 -1.15 -0.32 0.00 0.00 0.00 0.00 51.96 50.49 3bjm s ALA 261 Cb 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 3bjm s ALA 261 CO 0.00 -1.54 1.75 0.08 0.00 0.00 0.00 175.76 176.05 3bjm s VAL 262 N -3.34 2.29 0.34 0.00 1.01 -1.26 -4.89 120.40 114.56 3bjm s VAL 262 Ca 0.64 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3bjm s VAL 262 Cb -0.08 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3bjm s VAL 262 CO 0.46 0.00 0.60 0.20 0.00 0.00 0.00 175.10 176.36 3bjm s ASN 263 N 1.79 6.37 0.72 3.32 0.02 -1.26 -4.51 114.94 121.39 3bjm s ASN 263 Ca 0.77 0.68 -0.16 0.00 -1.02 0.00 0.00 52.86 53.13 3bjm s ASN 263 Cb -0.48 -2.13 0.03 0.00 0.02 0.00 0.00 41.25 38.69 3bjm s ASN 263 CO 0.34 -0.29 1.23 -2.16 0.02 0.00 0.00 177.10 176.23 3bjm s PRO 264 N -3.98 2.19 0.21 -0.60 0.04 -1.26 -4.81 135.00 126.79 3bjm s PRO 264 Ca 0.44 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.40 3bjm s PRO 264 Cb -0.10 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3bjm s PRO 264 CO 0.34 -1.82 0.12 0.95 0.04 0.00 0.00 177.00 176.63 3bjm s THR 265 N -1.82 4.24 -0.00 1.26 -4.23 -0.31 -4.88 115.64 109.89 3bjm s THR 265 Ca 0.77 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 3bjm s THR 265 Cb -0.32 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 3bjm s THR 265 CO 0.44 -0.23 -0.13 0.54 -0.54 0.00 0.00 174.62 174.71 3bjm s VAL 266 N -1.95 1.01 0.21 2.29 0.11 -1.26 -0.31 120.40 120.51 3bjm s VAL 266 Ca 0.31 -0.60 0.09 0.00 -2.93 0.00 0.00 61.98 58.85 3bjm s VAL 266 Cb -0.09 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 3bjm s VAL 266 CO 0.23 0.24 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.53 3bjm s LYS 267 N -0.41 1.41 -0.04 1.54 1.02 -0.05 -4.97 119.74 118.24 3bjm s LYS 267 Ca 0.04 -1.59 0.05 0.00 0.02 0.00 0.00 55.97 54.49 3bjm s LYS 267 Cb -0.05 -1.35 -0.01 0.00 -0.52 0.00 0.00 37.83 35.90 3bjm s LYS 267 CO -0.00 0.25 -0.19 0.12 -0.92 0.00 0.00 175.35 174.61 3bjm s PHE 268 N -2.60 1.84 0.03 3.18 5.36 -1.26 -0.69 117.98 123.84 3bjm s PHE 268 Ca 0.23 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 3bjm s PHE 268 Cb -0.03 -1.23 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 3bjm s PHE 268 CO 0.09 -0.16 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.55 3bjm s PHE 269 N -0.05 0.67 -0.05 10.12 0.40 -0.19 -1.36 117.98 127.51 3bjm s PHE 269 Ca -0.02 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 3bjm s PHE 269 Cb -0.11 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.01 3bjm s PHE 269 CO 0.02 -0.06 -0.16 0.08 0.70 0.00 0.00 175.22 175.81 3bjm s VAL 270 N -1.07 1.35 -0.05 -0.44 1.01 0.85 -0.62 120.40 121.44 3bjm s VAL 270 Ca -0.06 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3bjm s VAL 270 Cb -0.08 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3bjm s VAL 270 CO 0.00 0.40 -0.24 -0.69 0.00 0.00 0.00 175.10 174.57 3bjm s VAL 271 N 0.28 2.21 -0.41 2.92 1.01 -0.21 -0.63 120.40 125.57 3bjm s VAL 271 Ca -0.09 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 3bjm s VAL 271 Cb -0.13 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3bjm s VAL 271 CO 0.03 0.57 0.87 0.21 0.00 0.00 0.00 175.10 176.78 3bjm s ASN 272 N -0.36 6.55 0.43 3.32 3.84 -1.26 -1.29 114.94 126.17 3bjm s ASN 272 Ca 0.02 0.26 0.26 0.00 0.21 0.00 0.00 52.86 53.62 3bjm s ASN 272 Cb -0.12 -2.43 0.72 0.00 -0.55 0.00 0.00 41.25 38.87 3bjm s ASN 272 CO 0.02 -0.90 1.74 0.74 -2.79 0.00 0.00 177.10 175.91 3bjm h THR 273 N 5.91 0.00 -0.00 -5.21 2.02 -0.31 -3.06 112.91 112.26 3bjm h THR 273 Ca -0.24 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3bjm h THR 273 Cb 1.08 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3bjm h THR 273 CO 0.97 0.00 -0.17 0.47 0.37 0.00 0.00 175.52 177.17 3bjm n ASP 274 N -2.94 0.51 -1.98 4.18 8.00 -1.25 -3.88 116.55 119.19 3bjm n ASP 274 Ca 0.03 -0.48 -0.23 0.00 0.71 0.00 0.00 54.79 54.82 3bjm n ASP 274 Cb 0.44 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3bjm n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3bjm n SER 275 N -1.03 4.89 -4.79 -2.24 3.41 -1.16 -5.04 113.62 107.67 3bjm n SER 275 Ca 0.12 -3.76 -0.38 0.00 -0.26 0.00 0.00 58.87 54.60 3bjm n SER 275 Cb 0.30 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3bjm n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bjm s LEU 276 N -3.59 4.39 0.08 1.04 1.43 -1.25 -4.96 118.68 115.81 3bjm s LEU 276 Ca 0.51 0.89 0.09 0.00 -1.03 0.00 0.00 54.13 54.59 3bjm s LEU 276 Cb 0.41 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 3bjm s LEU 276 CO 0.04 0.19 -0.24 -0.55 0.23 0.00 0.00 176.35 176.02 3bjm s SER 277 N -0.38 3.44 0.00 2.29 0.15 -1.26 -5.02 113.70 112.92 3bjm s SER 277 Ca 0.24 -0.60 0.29 0.00 0.70 0.00 0.00 55.95 56.59 3bjm s SER 277 Cb -0.16 -0.37 1.35 0.00 -1.71 0.00 0.00 66.02 65.13 3bjm s SER 277 CO 0.12 0.23 1.96 -1.54 1.20 0.00 0.00 173.24 175.20 3bjm n SER 278 N 1.37 0.12 -0.12 5.45 3.41 -1.26 -3.94 113.62 118.65 3bjm n SER 278 Ca -0.17 -0.09 -0.23 0.00 -0.26 0.00 0.00 58.87 58.11 3bjm n SER 278 Cb 0.52 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 3bjm n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3bjm n VAL 279 N -1.28 1.32 -3.66 -3.33 0.31 -1.26 -5.03 118.33 105.39 3bjm n VAL 279 Ca 0.12 -0.38 -0.25 0.00 -0.01 0.00 0.00 64.34 63.83 3bjm n VAL 279 Cb 0.27 -1.69 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 3bjm n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bjm s THR 280 N -2.44 5.19 0.59 2.52 2.01 -1.25 -5.09 115.64 117.16 3bjm s THR 280 Ca -0.33 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 3bjm s THR 280 Cb 0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3bjm s THR 280 CO 0.45 -0.32 1.04 0.20 -0.69 0.00 0.00 174.62 175.30 3bjm s ASN 281 N -3.59 5.91 0.08 3.53 0.01 -1.26 -4.45 114.94 115.17 3bjm s ASN 281 Ca 0.38 1.75 -0.31 0.00 -0.71 0.00 0.00 52.86 53.97 3bjm s ASN 281 Cb -0.10 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 38.97 3bjm s ASN 281 CO 0.31 -1.08 1.23 0.00 -1.51 0.00 0.00 177.10 176.06 3bjm s ALA 282 N -2.54 3.43 -0.45 0.60 0.00 -1.26 -4.91 121.76 116.62 3bjm s ALA 282 Ca 0.62 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 53.27 3bjm s ALA 282 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3bjm s ALA 282 CO 0.38 -0.46 0.71 0.99 0.00 0.00 0.00 175.76 177.37 3bjm s THR 283 N 1.02 4.74 -0.22 0.00 2.01 -1.26 -5.02 115.64 116.90 3bjm s THR 283 Ca 0.59 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.67 3bjm s THR 283 Cb -0.31 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 3bjm s THR 283 CO 0.30 -0.67 0.36 -0.44 -0.69 0.00 0.00 174.62 173.48 3bjm s SER 284 N 2.10 6.34 -0.13 3.53 0.01 -1.26 -4.46 113.70 119.83 3bjm s SER 284 Ca 0.26 0.40 -0.21 0.00 1.31 0.00 0.00 55.95 57.71 3bjm s SER 284 Cb -0.13 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3bjm s SER 284 CO 0.20 -0.08 0.62 -0.63 0.41 0.00 0.00 173.24 173.76 3bjm s ILE 285 N 1.47 5.07 0.11 1.44 -1.09 0.20 -4.88 121.20 123.53 3bjm s ILE 285 Ca 0.16 1.23 -0.21 0.00 -2.23 0.00 0.00 60.65 59.60 3bjm s ILE 285 Cb -0.15 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 3bjm s ILE 285 CO 0.08 0.21 0.63 -1.58 -1.23 0.00 0.00 174.94 173.05 3bjm s GLN 286 N 1.21 4.29 -0.20 2.79 0.74 -1.26 -0.11 119.66 127.12 3bjm s GLN 286 Ca 0.31 0.85 -0.01 0.00 0.05 0.00 0.00 55.36 56.55 3bjm s GLN 286 Cb -0.16 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 30.74 3bjm s GLN 286 CO 0.13 0.60 -0.12 0.42 -0.55 0.00 0.00 175.29 175.77 3bjm s ILE 287 N -1.16 2.70 0.17 -2.34 1.01 -0.47 -4.90 121.20 116.21 3bjm s ILE 287 Ca 0.32 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 3bjm s ILE 287 Cb -0.20 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 3bjm s ILE 287 CO 0.21 0.47 0.59 0.42 0.00 0.00 0.00 174.94 176.62 3bjm s THR 288 N 1.38 4.80 0.79 2.92 -4.23 -1.26 -4.13 115.64 115.92 3bjm s THR 288 Ca 0.05 0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 61.30 3bjm s THR 288 Cb -0.14 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 3bjm s THR 288 CO -0.08 0.20 0.52 0.00 -0.54 0.00 0.00 174.62 174.72 3bjm n ALA 289 N 0.67 -1.77 -0.66 3.99 0.00 -1.26 -4.94 120.51 116.55 3bjm n ALA 289 Ca -0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 3bjm n ALA 289 Cb 0.52 -1.85 0.18 0.00 0.00 0.00 0.00 19.45 18.29 3bjm n ALA 289 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bjm n PRO 290 N -1.11 -1.22 0.09 0.00 -0.02 -1.26 -4.78 135.00 126.69 3bjm n PRO 290 Ca 0.09 -0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.20 3bjm n PRO 290 Cb 0.51 -1.98 0.13 0.00 -0.02 0.00 0.00 33.50 32.14 3bjm n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bjm h ALA 291 N -2.05 0.88 0.00 3.55 0.00 -1.99 -2.29 119.26 117.37 3bjm h ALA 291 Ca -0.51 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3bjm h ALA 291 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3bjm h ALA 291 CO 0.40 0.71 0.00 0.66 0.00 0.00 0.00 179.25 181.03 3bjm h SER 292 N 0.18 0.00 0.19 0.00 4.64 -2.03 -2.31 113.55 114.22 3bjm h SER 292 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3bjm h SER 292 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 3bjm h SER 292 CO 0.09 0.00 -2.10 0.23 -0.87 0.00 0.00 176.83 174.18 3bjm n MET 293 N -2.31 0.68 0.24 4.77 2.00 -1.03 -4.44 117.12 117.04 3bjm n MET 293 Ca 0.01 0.17 0.17 0.00 0.00 0.00 0.00 57.70 58.05 3bjm n MET 293 Cb 0.18 -1.65 0.78 0.00 0.00 0.00 0.00 33.22 32.53 3bjm n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3bjm h LEU 294 N 0.01 0.00 -0.25 4.03 4.07 -0.85 -2.97 115.31 119.35 3bjm h LEU 294 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3bjm h LEU 294 Cb 2.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.81 3bjm h LEU 294 CO 0.04 0.00 0.00 2.30 -1.08 0.00 0.00 178.44 179.70 3bjm n ILE 295 N -2.74 0.78 -2.57 1.22 -5.35 -1.18 -4.89 119.36 104.63 3bjm n ILE 295 Ca -0.00 0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 3bjm n ILE 295 Cb 0.17 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 3bjm n ILE 295 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bjm n GLY 296 N 0.31 2.40 3.77 3.28 0.00 -1.12 -5.14 105.19 108.68 3bjm n GLY 296 Ca 0.04 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3bjm n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bjm s ASP 297 N 0.41 6.79 0.22 1.61 1.01 -1.26 -4.99 116.67 120.46 3bjm s ASP 297 Ca 0.00 2.66 -0.18 0.00 0.71 0.00 0.00 52.55 55.73 3bjm s ASP 297 Cb 0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3bjm s ASP 297 CO 0.00 -0.52 0.57 -1.38 0.21 0.00 0.00 175.17 174.05 3bjm s HIS 298 N -1.15 -0.11 0.13 4.23 -3.43 -1.26 -1.73 115.29 111.96 3bjm s HIS 298 Ca 0.49 -0.25 0.10 0.00 -0.80 0.00 0.00 55.06 54.60 3bjm s HIS 298 Cb -0.39 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3bjm s HIS 298 CO 0.52 -0.99 -0.24 0.71 -2.00 0.00 0.00 174.74 172.74 3bjm s TYR 299 N -3.89 2.10 -0.34 0.38 2.02 0.27 -4.86 117.35 113.03 3bjm s TYR 299 Ca 0.10 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 3bjm s TYR 299 Cb -0.02 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3bjm s TYR 299 CO -0.00 0.31 0.79 -1.17 -1.57 0.00 0.00 175.55 173.91 3bjm s LEU 300 N -2.13 4.10 -0.01 -1.29 0.20 -1.26 -1.15 118.68 117.15 3bjm s LEU 300 Ca 0.12 0.50 0.08 0.00 0.69 0.00 0.00 54.13 55.53 3bjm s LEU 300 Cb -0.09 -3.06 -0.11 0.00 -0.43 0.00 0.00 46.19 42.50 3bjm s LEU 300 CO 0.06 -0.69 0.25 0.00 -0.29 0.00 0.00 176.35 175.69 3bjm s ASP 302 N -2.37 -0.75 -0.13 0.00 2.15 -1.14 -4.83 116.67 109.61 3bjm s ASP 302 Ca -0.00 1.34 0.02 0.00 0.43 0.00 0.00 52.55 54.35 3bjm s ASP 302 Cb 0.06 1.31 0.01 0.00 -0.30 0.00 0.00 42.92 44.00 3bjm s ASP 302 CO 0.33 -0.23 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.22 3bjm s VAL 303 N 0.79 1.85 -0.08 1.11 1.01 -1.26 -0.94 120.40 122.88 3bjm s VAL 303 Ca -0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3bjm s VAL 303 Cb -0.05 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.72 3bjm s VAL 303 CO -0.06 0.51 0.06 -0.89 0.00 0.00 0.00 175.10 174.72 3bjm s THR 304 N 0.85 -0.07 0.20 3.92 2.01 0.12 -5.01 115.64 117.66 3bjm s THR 304 Ca -0.08 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3bjm s THR 304 Cb -0.15 -0.29 -0.09 0.00 0.01 0.00 0.00 72.50 71.98 3bjm s THR 304 CO -0.01 0.07 1.27 0.26 -0.69 0.00 0.00 174.62 175.52 3bjm s TRP 305 N 2.15 3.31 -0.24 4.92 0.52 -1.26 0.09 118.94 128.42 3bjm s TRP 305 Ca 0.04 1.30 -0.10 0.00 0.02 0.00 0.00 56.10 57.36 3bjm s TRP 305 Cb -0.13 -3.55 -0.11 0.00 -1.15 0.00 0.00 33.47 28.53 3bjm s TRP 305 CO -0.05 -1.65 -0.29 0.00 0.02 0.00 0.00 176.95 174.98 3bjm n ALA 306 N 2.53 1.46 -3.12 0.98 0.00 0.55 -4.90 120.51 118.01 3bjm n ALA 306 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3bjm n ALA 306 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3bjm n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bjm n THR 307 N -3.95 0.00 0.24 0.00 -2.24 -1.08 -4.62 114.28 102.64 3bjm n THR 307 Ca -0.46 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.44 3bjm n THR 307 Cb 0.85 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.64 3bjm n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3bjm h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.27 115.11 110.17 3bjm h GLN 308 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3bjm h GLN 308 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3bjm h GLN 308 CO 0.00 0.16 -0.15 0.39 -0.95 0.00 0.00 178.83 178.29 3bjm n GLU 309 N -3.37 1.02 -3.75 1.46 1.02 -1.26 -4.89 120.64 110.87 3bjm n GLU 309 Ca -0.00 -1.51 -0.22 0.00 -0.02 0.00 0.00 57.16 55.40 3bjm n GLU 309 Cb 0.37 -0.92 -0.18 0.00 -0.02 0.00 0.00 31.44 30.69 3bjm n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3bjm s ARG 310 N -1.12 0.48 -0.03 3.49 3.52 -1.24 -1.40 118.95 122.66 3bjm s ARG 310 Ca 0.10 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.89 3bjm s ARG 310 Cb 0.09 -0.90 -0.03 0.00 -1.56 0.00 0.00 34.95 32.55 3bjm s ARG 310 CO 0.01 -0.31 -0.10 0.42 -0.81 0.00 0.00 175.30 174.50 3bjm s ILE 311 N 2.01 3.40 -0.17 4.11 1.01 0.34 -0.33 121.20 131.57 3bjm s ILE 311 Ca 0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3bjm s ILE 311 Cb -0.12 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3bjm s ILE 311 CO -0.05 0.50 -0.05 -0.55 0.00 0.00 0.00 174.94 174.79 3bjm s SER 312 N -1.06 4.58 -0.07 3.58 0.15 0.11 0.00 113.70 121.00 3bjm s SER 312 Ca 0.14 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.62 3bjm s SER 312 Cb -0.11 -1.75 -0.00 0.00 -1.71 0.00 0.00 66.02 62.45 3bjm s SER 312 CO 0.04 0.12 -0.22 -0.76 1.20 0.00 0.00 173.24 173.62 3bjm s LEU 313 N 0.64 2.00 -0.12 3.45 1.43 -0.27 -0.70 118.68 125.12 3bjm s LEU 313 Ca -0.03 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3bjm s LEU 313 Cb -0.15 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3bjm s LEU 313 CO 0.02 0.18 -0.06 -1.10 0.23 0.00 0.00 176.35 175.62 3bjm s GLN 314 N 0.13 3.29 0.26 1.70 -0.21 -0.12 0.42 119.66 125.12 3bjm s GLN 314 Ca -0.10 -0.55 0.11 0.00 0.02 0.00 0.00 55.36 54.84 3bjm s GLN 314 Cb -0.15 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.06 3bjm s GLN 314 CO 0.05 0.40 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.86 3bjm s TRP 315 N -0.08 2.36 -0.05 0.91 0.52 0.10 -1.39 118.94 121.30 3bjm s TRP 315 Ca 0.01 -0.32 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 3bjm s TRP 315 Cb -0.13 -1.06 0.04 0.00 -1.15 0.00 0.00 33.47 31.17 3bjm s TRP 315 CO 0.03 0.65 0.11 -1.17 0.02 0.00 0.00 176.95 176.59 3bjm s LEU 316 N -3.32 0.64 0.67 2.99 0.20 -0.30 -1.27 118.68 118.28 3bjm s LEU 316 Ca 0.28 0.22 -0.14 0.00 0.69 0.00 0.00 54.13 55.18 3bjm s LEU 316 Cb -0.06 0.20 0.00 0.00 -0.43 0.00 0.00 46.19 45.90 3bjm s LEU 316 CO 0.15 -0.17 1.09 -0.13 -0.29 0.00 0.00 176.35 177.00 3bjm s ARG 317 N 1.41 2.82 0.42 1.98 0.52 -0.62 0.96 118.95 126.44 3bjm s ARG 317 Ca -0.06 1.30 0.15 0.00 -0.52 0.00 0.00 55.73 56.60 3bjm s ARG 317 Cb -0.12 -1.96 0.92 0.00 0.52 0.00 0.00 34.95 34.31 3bjm s ARG 317 CO -0.05 -1.22 1.93 -0.09 0.02 0.00 0.00 175.30 175.89 3bjm h ARG 318 N -0.11 0.00 -6.40 3.54 2.43 -1.67 -3.20 114.38 108.97 3bjm h ARG 318 Ca -0.46 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.15 3bjm h ARG 318 Cb 1.24 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 3bjm h ARG 318 CO 0.54 0.26 0.93 0.42 -1.51 0.00 0.00 179.97 180.61 3bjm s ILE 319 N -4.41 4.01 -0.19 1.20 1.09 -1.26 -4.80 121.20 116.84 3bjm s ILE 319 Ca -0.03 0.67 -0.01 0.00 -1.10 0.00 0.00 60.65 60.18 3bjm s ILE 319 Cb 0.15 -4.74 0.10 0.00 -1.06 0.00 0.00 42.46 36.90 3bjm s ILE 319 CO 0.70 -1.43 2.13 0.00 -0.10 0.00 0.00 174.94 176.24 3bjm n GLN 320 N 8.50 1.53 -0.32 2.79 6.02 -1.21 -3.56 117.38 131.14 3bjm n GLN 320 Ca 0.06 -0.97 0.07 0.00 -0.01 0.00 0.00 57.00 56.15 3bjm n GLN 320 Cb 0.49 -1.42 0.21 0.00 1.02 0.00 0.00 30.24 30.54 3bjm n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3bjm n ASN 321 N 0.93 3.44 -3.70 1.08 0.23 -1.26 -1.25 115.26 114.72 3bjm n ASN 321 Ca 0.20 -2.45 -0.15 0.00 -0.53 0.00 0.00 54.58 51.65 3bjm n ASN 321 Cb 0.56 -0.38 -0.14 0.00 -2.08 0.00 0.00 39.78 37.74 3bjm n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3bjm s TYR 322 N -1.82 -0.24 -0.00 -2.53 6.14 -1.23 -2.26 117.35 115.41 3bjm s TYR 322 Ca 0.33 0.66 -0.01 0.00 0.64 0.00 0.00 57.07 58.68 3bjm s TYR 322 Cb 0.23 -0.12 -0.00 0.00 0.42 0.00 0.00 41.96 42.48 3bjm s TYR 322 CO 0.13 -0.24 0.02 0.45 0.64 0.00 0.00 175.55 176.55 3bjm s SER 323 N 1.79 0.04 -0.05 4.32 0.15 -0.43 -1.58 113.70 117.93 3bjm s SER 323 Ca -0.03 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.55 3bjm s SER 323 Cb -0.12 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3bjm s SER 323 CO -0.07 -0.11 -0.16 -0.69 1.20 0.00 0.00 173.24 173.42 3bjm s VAL 324 N -0.45 1.36 -0.23 4.45 1.01 -0.39 -1.12 120.40 125.02 3bjm s VAL 324 Ca -0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3bjm s VAL 324 Cb -0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3bjm s VAL 324 CO -0.00 0.40 0.04 -0.32 0.00 0.00 0.00 175.10 175.22 3bjm s MET 325 N 0.27 3.63 -0.05 2.72 1.75 0.11 0.03 119.30 127.75 3bjm s MET 325 Ca -0.09 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 53.82 3bjm s MET 325 Cb -0.13 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.27 3bjm s MET 325 CO 0.03 -0.12 0.15 -0.51 -0.65 0.00 0.00 175.02 173.93 3bjm s ASP 326 N 1.39 6.29 -0.25 1.11 1.11 0.17 -1.62 116.67 124.86 3bjm s ASP 326 Ca 0.05 0.37 -0.00 0.00 0.18 0.00 0.00 52.55 53.15 3bjm s ASP 326 Cb -0.15 -1.98 0.04 0.00 1.07 0.00 0.00 42.92 41.90 3bjm s ASP 326 CO 0.02 0.32 -0.08 -0.63 1.18 0.00 0.00 175.17 175.99 3bjm s ILE 327 N -1.19 2.60 -0.09 0.77 -1.09 -1.26 -1.11 121.20 119.83 3bjm s ILE 327 Ca 0.22 -1.27 0.03 0.00 -2.23 0.00 0.00 60.65 57.40 3bjm s ILE 327 Cb -0.12 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.35 3bjm s ILE 327 CO 0.12 0.11 -0.19 0.00 -1.23 0.00 0.00 174.94 173.75 3bjm s ASP 329 N 0.05 3.61 -0.01 0.00 1.01 -0.32 -0.50 116.67 120.51 3bjm s ASP 329 Ca -0.08 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.51 3bjm s ASP 329 Cb -0.15 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.14 3bjm s ASP 329 CO 0.05 0.30 1.33 -0.47 0.21 0.00 0.00 175.17 176.60 3bjm s TYR 330 N -0.76 3.00 -0.53 4.23 5.04 -0.49 -1.63 117.35 126.20 3bjm s TYR 330 Ca 0.12 0.96 -0.21 0.00 -2.44 0.00 0.00 57.07 55.50 3bjm s TYR 330 Cb -0.10 -3.58 0.06 0.00 0.35 0.00 0.00 41.96 38.68 3bjm s TYR 330 CO 0.02 -2.07 0.74 0.34 -1.34 0.00 0.00 175.55 173.24 3bjm s ASP 331 N 1.69 6.26 0.54 4.32 -1.08 0.03 -4.93 116.67 123.49 3bjm s ASP 331 Ca 0.61 -0.77 0.25 0.00 -0.52 0.00 0.00 52.55 52.13 3bjm s ASP 331 Cb -0.30 -2.34 1.51 0.00 -1.46 0.00 0.00 42.92 40.33 3bjm s ASP 331 CO 0.26 -1.03 2.14 -0.08 0.52 0.00 0.00 175.17 176.97 3bjm h GLU 332 N 9.13 0.00 0.00 4.34 4.81 -1.94 -0.03 114.58 130.89 3bjm h GLU 332 Ca -0.27 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3bjm h GLU 332 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3bjm h GLU 332 CO 1.02 0.07 -0.68 0.66 -0.73 0.00 0.00 179.01 179.35 3bjm h SER 333 N 0.00 0.00 0.00 1.04 4.64 -1.96 -3.35 113.55 113.91 3bjm h SER 333 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bjm h SER 333 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3bjm h SER 333 CO 0.01 0.08 -1.30 -1.54 -0.87 0.00 0.00 176.83 173.20 3bjm n SER 334 N -2.87 2.43 -0.01 4.97 3.41 -0.87 -5.00 113.62 115.68 3bjm n SER 334 Ca 0.01 -0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3bjm n SER 334 Cb 0.58 1.38 -0.00 0.00 -0.26 0.00 0.00 64.21 65.91 3bjm n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bjm n GLY 335 N 1.84 0.45 3.90 5.00 0.00 -0.08 -5.03 105.19 111.27 3bjm n GLY 335 Ca -0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 3bjm n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bjm s ARG 336 N -0.98 2.57 -0.13 1.61 1.81 -1.21 -4.93 118.95 117.69 3bjm s ARG 336 Ca 0.00 -1.51 0.02 0.00 -1.72 0.00 0.00 55.73 52.53 3bjm s ARG 336 Cb 0.00 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.09 3bjm s ARG 336 CO 0.00 -0.21 -0.20 -1.58 -0.68 0.00 0.00 175.30 172.63 3bjm s TRP 337 N -2.46 2.42 -0.12 -0.53 0.52 -1.26 -0.79 118.94 116.72 3bjm s TRP 337 Ca 0.49 -1.19 0.01 0.00 0.02 0.00 0.00 56.10 55.43 3bjm s TRP 337 Cb -0.04 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 3bjm s TRP 337 CO 0.29 -0.56 -0.17 -0.80 0.02 0.00 0.00 176.95 175.72 3bjm s ASN 338 N 0.87 3.63 -0.49 2.95 0.01 -0.65 -4.91 114.94 116.36 3bjm s ASN 338 Ca -0.07 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 3bjm s ASN 338 Cb -0.15 -1.53 0.13 0.00 0.41 0.00 0.00 41.25 40.11 3bjm s ASN 338 CO -0.02 0.16 0.31 0.00 -1.51 0.00 0.00 177.10 176.04 3bjm s LEU 340 N 0.82 4.27 0.43 0.00 2.96 -1.25 -4.94 118.68 120.97 3bjm s LEU 340 Ca 0.10 2.08 0.28 0.00 -0.22 0.00 0.00 54.13 56.38 3bjm s LEU 340 Cb -0.22 -4.01 0.99 0.00 0.50 0.00 0.00 46.19 43.44 3bjm s LEU 340 CO -0.03 -0.36 1.82 0.58 -1.32 0.00 0.00 176.35 177.04 3bjm h VAL 341 N 2.48 0.00 -0.45 1.68 2.07 -1.96 -3.02 116.25 117.04 3bjm h VAL 341 Ca -0.48 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3bjm h VAL 341 Cb 1.21 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3bjm h VAL 341 CO 0.64 0.00 0.30 0.00 0.02 0.00 0.00 177.57 178.53 3bjm h ALA 342 N 2.11 1.93 -0.51 1.67 0.00 -1.96 -2.14 119.26 120.36 3bjm h ALA 342 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 3bjm h ALA 342 Cb 0.63 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.13 3bjm h ALA 342 CO 0.00 -0.01 -0.10 2.89 0.00 0.00 0.00 179.25 182.03 3bjm n ARG 343 N -4.48 2.25 -3.44 0.00 0.00 -1.14 -4.63 116.66 105.23 3bjm n ARG 343 Ca 0.06 -3.38 -0.37 0.00 -0.00 0.00 0.00 57.85 54.15 3bjm n ARG 343 Cb 0.24 -1.96 -0.06 0.00 -0.00 0.00 0.00 32.46 30.67 3bjm n ARG 343 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3bjm s GLN 344 N -3.39 4.24 0.00 2.89 0.74 -0.81 -4.00 119.66 119.34 3bjm s GLN 344 Ca 0.48 0.28 0.08 0.00 0.05 0.00 0.00 55.36 56.26 3bjm s GLN 344 Cb 0.42 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.11 3bjm s GLN 344 CO 0.00 0.27 -0.24 -1.01 -0.55 0.00 0.00 175.29 173.76 3bjm s HIS 345 N 0.31 2.39 -0.08 1.67 3.76 -0.64 -4.96 115.29 117.73 3bjm s HIS 345 Ca 0.21 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 3bjm s HIS 345 Cb -0.14 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 3bjm s HIS 345 CO 0.08 0.06 -0.12 0.42 -0.85 0.00 0.00 174.74 174.33 3bjm s ILE 346 N -0.71 3.23 -0.11 0.60 1.01 -1.26 -0.72 121.20 123.24 3bjm s ILE 346 Ca 0.11 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3bjm s ILE 346 Cb -0.10 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3bjm s ILE 346 CO 0.01 0.57 -0.20 -1.61 0.00 0.00 0.00 174.94 173.70 3bjm s GLU 347 N -0.35 2.73 0.10 2.79 2.02 -0.28 -5.02 118.70 120.70 3bjm s GLU 347 Ca 0.04 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.33 3bjm s GLU 347 Cb -0.13 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 3bjm s GLU 347 CO 0.02 0.06 -0.15 -1.64 0.02 0.00 0.00 175.26 173.57 3bjm s MET 348 N 0.65 0.94 0.05 1.61 -1.94 -1.26 -1.31 119.30 118.03 3bjm s MET 348 Ca -0.12 -1.11 0.08 0.00 -1.71 0.00 0.00 55.69 52.83 3bjm s MET 348 Cb -0.16 -0.92 -0.03 0.00 2.01 0.00 0.00 34.83 35.73 3bjm s MET 348 CO 0.03 0.19 -0.23 0.45 -0.01 0.00 0.00 175.02 175.45 3bjm s SER 349 N -2.10 2.77 -0.05 3.03 0.15 -0.96 -5.00 113.70 111.55 3bjm s SER 349 Ca 0.04 -0.55 0.15 0.00 0.70 0.00 0.00 55.95 56.29 3bjm s SER 349 Cb -0.08 -0.24 -0.23 0.00 -1.71 0.00 0.00 66.02 63.77 3bjm s SER 349 CO 0.03 0.20 0.28 0.41 1.20 0.00 0.00 173.24 175.36 3bjm n THR 350 N 1.81 0.20 0.20 6.45 -1.04 -1.26 -4.58 114.28 116.05 3bjm n THR 350 Ca -0.17 -0.40 0.09 0.00 -2.04 0.00 0.00 64.05 61.53 3bjm n THR 350 Cb 0.53 -0.01 -0.13 0.00 -1.82 0.00 0.00 70.33 68.90 3bjm n THR 350 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3bjm n THR 351 N -2.13 0.00 0.00 12.58 -2.24 -1.26 -5.06 114.28 116.17 3bjm n THR 351 Ca -0.07 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3bjm n THR 351 Cb 0.51 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3bjm n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bjm n GLY 352 N 1.45 3.05 3.90 3.38 0.00 -1.26 -4.84 105.19 110.87 3bjm n GLY 352 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3bjm n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3bjm s TRP 353 N 0.57 2.10 -0.14 1.61 -2.14 -1.26 -4.52 118.94 115.16 3bjm s TRP 353 Ca 0.00 -0.67 -0.18 0.00 2.66 0.00 0.00 56.10 57.92 3bjm s TRP 353 Cb 0.00 -2.06 -0.04 0.00 -3.10 0.00 0.00 33.47 28.27 3bjm s TRP 353 CO 0.00 -0.38 0.46 0.08 -2.66 0.00 0.00 176.95 174.45 3bjm s VAL 354 N -2.63 5.19 0.00 -0.66 1.01 -0.38 -4.75 120.40 118.18 3bjm s VAL 354 Ca 0.44 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3bjm s VAL 354 Cb -0.03 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3bjm s VAL 354 CO 0.26 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3bjm n GLY 355 N 3.37 -1.42 0.06 4.51 0.00 -1.26 -3.44 105.19 107.02 3bjm n GLY 355 Ca -0.07 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 3bjm n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bjm h ARG 356 N 0.00 -0.01 0.00 1.61 3.08 -1.95 -3.41 114.38 113.71 3bjm h ARG 356 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bjm h ARG 356 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3bjm h ARG 356 CO 0.00 0.73 -0.47 1.19 -1.07 0.00 0.00 179.97 180.35 3bjm n PHE 357 N -4.74 0.00 -3.57 3.04 3.72 -1.26 -4.90 117.46 109.75 3bjm n PHE 357 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 3bjm n PHE 357 Cb 0.36 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3bjm n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3bjm s ARG 358 N -1.27 0.92 0.24 -1.08 1.70 -1.25 -5.03 118.95 113.17 3bjm s ARG 358 Ca 0.00 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 54.56 3bjm s ARG 358 Cb 0.00 0.38 -0.14 0.00 -0.57 0.00 0.00 34.95 34.62 3bjm s ARG 358 CO 0.00 -0.41 1.20 -2.30 -1.08 0.00 0.00 175.30 172.71 3bjm n PRO 359 N -0.31 1.56 -1.25 3.89 -0.02 -1.22 -4.16 135.00 133.49 3bjm n PRO 359 Ca -0.08 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 3bjm n PRO 359 Cb 0.62 -2.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.12 3bjm n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3bjm s SER 360 N -0.10 4.48 0.18 2.55 1.04 -1.26 -4.96 113.70 115.63 3bjm s SER 360 Ca 0.66 1.83 -0.30 0.00 0.48 0.00 0.00 55.95 58.62 3bjm s SER 360 Cb -0.72 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 62.80 3bjm s SER 360 CO 0.54 -2.05 0.99 -0.70 0.98 0.00 0.00 173.24 173.01 3bjm s GLU 361 N -4.90 4.72 0.23 4.02 2.12 -1.26 -4.91 118.70 118.73 3bjm s GLU 361 Ca 0.61 1.54 -0.30 0.00 0.36 0.00 0.00 54.97 57.19 3bjm s GLU 361 Cb -0.17 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 3bjm s GLU 361 CO 0.56 0.28 1.02 -1.25 -0.54 0.00 0.00 175.26 175.33 3bjm s PRO 362 N -0.55 4.73 -0.32 4.30 0.04 -1.26 -4.50 135.00 137.44 3bjm s PRO 362 Ca 0.45 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 3bjm s PRO 362 Cb -0.26 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.09 3bjm s PRO 362 CO 0.32 0.32 0.03 -1.01 0.04 0.00 0.00 177.00 176.71 3bjm s HIS 363 N -0.93 3.41 0.35 0.56 3.76 0.11 -4.94 115.29 117.61 3bjm s HIS 363 Ca 0.44 -2.24 -0.19 0.00 -0.15 0.00 0.00 55.06 52.92 3bjm s HIS 363 Cb -0.28 -2.45 -0.10 0.00 1.11 0.00 0.00 32.58 30.86 3bjm s HIS 363 CO 0.35 -0.88 0.83 -0.06 -0.85 0.00 0.00 174.74 174.14 3bjm s PHE 364 N 1.15 3.41 0.80 1.40 0.08 -1.26 -0.55 117.98 123.01 3bjm s PHE 364 Ca -0.00 1.44 -0.11 0.00 0.12 0.00 0.00 56.93 58.37 3bjm s PHE 364 Cb -0.20 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.62 3bjm s PHE 364 CO -0.03 0.06 1.10 0.95 -0.10 0.00 0.00 175.22 177.19 3bjm s THR 365 N -1.97 3.06 0.36 0.64 -4.23 -0.41 -4.94 115.64 108.15 3bjm s THR 365 Ca 0.55 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 61.53 3bjm s THR 365 Cb -0.11 -3.10 0.34 0.00 1.34 0.00 0.00 72.50 70.97 3bjm s THR 365 CO 0.17 -0.45 1.81 -0.07 -0.54 0.00 0.00 174.62 175.54 3bjm h LEU 366 N -1.08 0.60 0.00 4.79 3.38 -1.92 -1.63 115.31 119.44 3bjm h LEU 366 Ca -0.47 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3bjm h LEU 366 Cb 1.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3bjm h LEU 366 CO 0.59 0.22 -0.16 -2.24 0.09 0.00 0.00 178.44 176.95 3bjm h ASP 367 N 0.59 0.00 0.00 -0.43 3.04 -1.92 -3.47 116.42 114.23 3bjm h ASP 367 Ca 0.53 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.32 3bjm h ASP 367 Cb 1.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.34 3bjm h ASP 367 CO -0.28 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.53 3bjm n GLY 368 N 1.13 0.76 0.36 7.15 0.00 -0.62 -4.91 105.19 109.06 3bjm n GLY 368 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3bjm n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bjm n ASN 369 N 0.00 1.56 -3.69 1.61 3.02 -1.26 -4.90 115.26 111.60 3bjm n ASN 369 Ca 0.00 -1.22 -0.10 0.00 -0.03 0.00 0.00 54.58 53.23 3bjm n ASN 369 Cb 0.00 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 3bjm n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3bjm s SER 370 N -2.55 -0.32 0.13 6.41 1.04 -1.26 -0.96 113.70 116.19 3bjm s SER 370 Ca 0.19 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 56.07 3bjm s SER 370 Cb 0.18 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.94 3bjm s SER 370 CO 0.58 -1.08 0.41 0.72 0.98 0.00 0.00 173.24 174.85 3bjm s PHE 371 N -3.85 -0.19 -0.00 5.02 -0.12 -0.34 -1.29 117.98 117.20 3bjm s PHE 371 Ca 0.08 -0.13 0.06 0.00 -0.05 0.00 0.00 56.93 56.88 3bjm s PHE 371 Cb -0.02 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 3bjm s PHE 371 CO -0.04 -0.71 -0.18 0.71 -0.05 0.00 0.00 175.22 174.95 3bjm s TYR 372 N -3.81 2.57 0.07 3.49 1.51 0.29 -0.55 117.35 120.92 3bjm s TYR 372 Ca 0.04 -0.25 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 3bjm s TYR 372 Cb 0.02 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 3bjm s TYR 372 CO -0.11 0.18 0.39 -1.59 -1.11 0.00 0.00 175.55 173.31 3bjm s LYS 373 N -1.02 0.95 0.09 -0.62 -2.85 -0.91 0.06 119.74 115.43 3bjm s LYS 373 Ca 0.13 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.31 3bjm s LYS 373 Cb -0.10 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 3bjm s LYS 373 CO 0.02 -0.34 0.96 0.42 0.10 0.00 0.00 175.35 176.52 3bjm s ILE 374 N -2.89 4.59 0.02 3.79 1.01 -1.26 -0.69 121.20 125.76 3bjm s ILE 374 Ca -0.03 2.06 0.01 0.00 0.00 0.00 0.00 60.65 62.69 3bjm s ILE 374 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 3bjm s ILE 374 CO -0.05 0.28 -0.04 -0.63 0.00 0.00 0.00 174.94 174.50 3bjm s ILE 375 N 0.22 0.22 0.11 2.92 -1.09 -0.17 -4.62 121.20 118.78 3bjm s ILE 375 Ca 0.48 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.86 3bjm s ILE 375 Cb -0.23 -0.31 -0.06 0.00 -1.58 0.00 0.00 42.46 40.28 3bjm s ILE 375 CO 0.29 -0.33 1.18 -0.55 -1.23 0.00 0.00 174.94 174.30 3bjm s SER 376 N -1.12 7.12 0.45 3.58 0.15 -1.26 -0.99 113.70 121.64 3bjm s SER 376 Ca -0.10 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.61 3bjm s SER 376 Cb -0.08 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3bjm s SER 376 CO -0.00 -0.40 0.27 -0.46 1.20 0.00 0.00 173.24 173.85 3bjm n ASN 377 N 3.37 0.39 0.29 5.45 2.04 0.17 -4.87 115.26 122.09 3bjm n ASN 377 Ca 0.07 -1.32 0.19 0.00 -0.44 0.00 0.00 54.58 53.07 3bjm n ASN 377 Cb 0.46 -0.17 1.00 0.00 -2.53 0.00 0.00 39.78 38.53 3bjm n ASN 377 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3bjm h GLU 378 N 0.00 0.00 -0.33 -3.83 4.81 -1.96 -0.17 114.58 113.10 3bjm h GLU 378 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3bjm h GLU 378 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3bjm h GLU 378 CO 0.10 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.77 3bjm n GLU 379 N -3.42 2.22 -0.57 1.92 4.71 -1.26 -4.97 120.64 119.27 3bjm n GLU 379 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 57.16 55.13 3bjm n GLU 379 Cb 0.18 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3bjm n GLU 379 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bjm n GLY 380 N 1.00 0.71 3.78 0.62 0.00 -0.08 -4.77 105.19 106.45 3bjm n GLY 380 Ca 0.14 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3bjm n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjm s TYR 381 N -2.00 3.33 -0.27 1.61 1.51 -1.26 0.12 117.35 120.39 3bjm s TYR 381 Ca 0.00 0.28 -0.21 0.00 -1.01 0.00 0.00 57.07 56.13 3bjm s TYR 381 Cb 0.00 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3bjm s TYR 381 CO 0.00 0.57 0.66 1.03 -1.11 0.00 0.00 175.55 176.71 3bjm s ARG 382 N -1.31 4.07 0.15 -0.62 0.52 -1.26 -0.66 118.95 119.84 3bjm s ARG 382 Ca 0.18 0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 55.94 3bjm s ARG 382 Cb -0.12 -3.67 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 3bjm s ARG 382 CO 0.08 -0.47 0.04 -1.01 0.02 0.00 0.00 175.30 173.95 3bjm s HIS 383 N 2.60 0.99 0.01 -0.53 3.76 -0.16 -1.19 115.29 120.77 3bjm s HIS 383 Ca 0.27 -1.16 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 3bjm s HIS 383 Cb -0.15 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3bjm s HIS 383 CO 0.09 -0.41 1.13 0.42 -0.85 0.00 0.00 174.74 175.12 3bjm s ILE 384 N -3.91 4.36 0.02 0.60 1.01 -1.26 -1.00 121.20 121.02 3bjm s ILE 384 Ca 0.24 1.69 0.06 0.00 0.00 0.00 0.00 60.65 62.65 3bjm s ILE 384 Cb 0.07 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3bjm s ILE 384 CO 0.03 0.09 -0.17 0.00 0.00 0.00 0.00 174.94 174.89 3bjm s TYR 386 N -0.86 3.18 -0.09 0.00 5.04 0.12 -2.14 117.35 122.60 3bjm s TYR 386 Ca 0.14 -0.22 -0.00 0.00 -2.44 0.00 0.00 57.07 54.55 3bjm s TYR 386 Cb -0.10 -2.35 -0.03 0.00 0.35 0.00 0.00 41.96 39.83 3bjm s TYR 386 CO 0.04 -0.30 -0.07 -0.06 -1.34 0.00 0.00 175.55 173.82 3bjm s PHE 387 N 1.69 2.94 -0.19 4.97 0.40 0.29 -1.18 117.98 126.89 3bjm s PHE 387 Ca 0.06 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3bjm s PHE 387 Cb -0.16 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3bjm s PHE 387 CO 0.08 0.21 -0.01 -0.65 0.70 0.00 0.00 175.22 175.54 3bjm s GLN 388 N -0.47 3.59 0.24 0.44 -0.21 -1.26 -1.20 119.66 120.80 3bjm s GLN 388 Ca 0.07 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 3bjm s GLN 388 Cb -0.12 -3.03 0.50 0.00 1.00 0.00 0.00 33.01 31.36 3bjm s GLN 388 CO 0.02 0.03 1.28 -0.89 -2.12 0.00 0.00 175.29 173.61 3bjm n ILE 389 N 4.18 -0.35 -0.57 1.08 2.08 -0.13 -0.85 119.36 124.80 3bjm n ILE 389 Ca -0.17 1.85 0.09 0.00 0.56 0.00 0.00 62.75 65.07 3bjm n ILE 389 Cb 0.52 -2.62 0.31 0.00 -0.75 0.00 0.00 39.64 37.09 3bjm n ILE 389 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3bjm n ASP 390 N -5.26 4.27 -4.46 4.38 8.00 -1.26 -4.34 116.55 117.87 3bjm n ASP 390 Ca 0.16 -2.41 -0.23 0.00 0.71 0.00 0.00 54.79 53.02 3bjm n ASP 390 Cb 0.52 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 3bjm n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bjm s LYS 391 N -1.75 1.64 0.40 -1.24 1.02 -0.03 -4.88 119.74 114.90 3bjm s LYS 391 Ca 0.45 -1.78 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 3bjm s LYS 391 Cb 0.29 -1.60 -0.06 0.00 -0.52 0.00 0.00 37.83 35.94 3bjm s LYS 391 CO 0.22 0.24 0.75 -1.59 -0.92 0.00 0.00 175.35 174.05 3bjm s LYS 392 N -3.57 3.73 0.29 1.68 -2.85 -1.26 -4.68 119.74 113.07 3bjm s LYS 392 Ca 0.29 0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 3bjm s LYS 392 Cb -0.02 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 3bjm s LYS 392 CO 0.14 -0.03 0.00 -0.25 0.10 0.00 0.00 175.35 175.31 3bjm n ASP 393 N -1.37 -7.38 -3.78 0.03 8.00 -1.26 -4.96 116.55 105.83 3bjm n ASP 393 Ca 0.02 0.50 -0.23 0.00 0.71 0.00 0.00 54.79 55.78 3bjm n ASP 393 Cb 0.54 -3.76 -0.08 0.00 -0.02 0.00 0.00 41.12 37.80 3bjm n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bjm s THR 395 N -3.33 2.68 0.11 0.00 2.01 -0.32 -4.87 115.64 111.92 3bjm s THR 395 Ca 0.31 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 3bjm s THR 395 Cb 0.02 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.30 3bjm s THR 395 CO 0.20 0.50 1.36 -0.36 -0.69 0.00 0.00 174.62 175.63 3bjm s PHE 396 N 1.16 3.27 -0.53 4.92 0.08 -1.26 0.15 117.98 125.77 3bjm s PHE 396 Ca 0.01 1.01 0.09 0.00 0.12 0.00 0.00 56.93 58.16 3bjm s PHE 396 Cb -0.14 -3.65 -0.07 0.00 -0.57 0.00 0.00 43.02 38.59 3bjm s PHE 396 CO -0.05 -2.22 0.44 0.44 -0.10 0.00 0.00 175.22 173.72 3bjm n ILE 397 N 3.88 0.00 -4.34 0.64 -5.35 -0.83 -4.94 119.36 108.42 3bjm n ILE 397 Ca 0.11 -0.32 -0.22 0.00 -0.27 0.00 0.00 62.75 62.06 3bjm n ILE 397 Cb 0.43 1.03 -0.11 0.00 -1.74 0.00 0.00 39.64 39.24 3bjm n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3bjm s THR 398 N -1.72 1.83 0.16 7.28 -4.23 -1.25 -4.90 115.64 112.82 3bjm s THR 398 Ca 0.04 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 3bjm s THR 398 Cb 0.07 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 72.11 3bjm s THR 398 CO 0.34 -0.34 0.62 -1.59 -0.54 0.00 0.00 174.62 173.11 3bjm s LYS 399 N -2.88 1.28 0.00 3.99 -2.85 -1.26 -4.61 119.74 113.42 3bjm s LYS 399 Ca 0.17 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 3bjm s LYS 399 Cb -0.05 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3bjm s LYS 399 CO 0.07 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.36 3bjm n GLY 400 N -0.38 3.16 3.56 0.59 0.00 -1.26 -4.96 105.19 105.91 3bjm n GLY 400 Ca -0.16 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3bjm n GLY 400 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bjm s THR 401 N -2.01 4.15 0.00 2.61 2.01 -1.26 -4.78 115.64 116.35 3bjm s THR 401 Ca 0.00 -1.68 0.00 0.00 0.31 0.00 0.00 61.69 60.32 3bjm s THR 401 Cb 0.00 -5.14 0.00 0.00 0.01 0.00 0.00 72.50 67.37 3bjm s THR 401 CO 0.00 -1.97 0.00 -2.67 -0.69 0.00 0.00 174.62 169.29 3bjm n TRP 402 N 8.29 0.00 -4.04 4.92 4.27 -1.26 -4.98 117.44 124.63 3bjm n TRP 402 Ca 0.44 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.92 3bjm n TRP 402 Cb 0.47 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.30 3bjm n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3bjm s GLU 403 N -2.00 0.44 -0.01 -2.67 2.02 -1.26 -4.39 118.70 110.82 3bjm s GLU 403 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 3bjm s GLU 403 Cb 0.00 -0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.00 3bjm s GLU 403 CO 0.00 0.03 0.97 0.08 0.02 0.00 0.00 175.26 176.36 3bjm s VAL 404 N -1.19 4.87 -0.03 2.63 1.01 -0.33 -2.55 120.40 124.80 3bjm s VAL 404 Ca -0.10 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 3bjm s VAL 404 Cb -0.09 -4.31 -0.28 0.00 0.00 0.00 0.00 36.38 31.71 3bjm s VAL 404 CO -0.00 0.15 0.74 0.40 0.00 0.00 0.00 175.10 176.39 3bjm h ILE 405 N 4.83 1.01 -1.94 2.22 5.03 -0.10 -3.46 117.51 125.10 3bjm h ILE 405 Ca -0.40 -2.66 0.04 0.00 -0.12 0.00 0.00 64.86 61.73 3bjm h ILE 405 Cb 1.21 2.71 -0.19 0.00 -3.03 0.00 0.00 36.82 37.52 3bjm h ILE 405 CO 0.76 0.82 0.42 -0.83 -0.68 0.00 0.00 178.15 178.63 3bjm s GLY 406 N -5.08 -0.42 -0.10 5.37 0.00 -1.12 -4.98 107.32 101.00 3bjm s GLY 406 Ca -0.12 1.50 -0.23 0.00 0.00 0.00 0.00 44.72 45.87 3bjm s GLY 406 CO 0.84 0.79 0.70 -0.42 0.00 0.00 0.00 173.10 175.02 3bjm s ILE 407 N -1.77 5.03 -0.16 0.90 1.01 -1.26 -0.47 121.20 124.47 3bjm s ILE 407 Ca -0.02 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.11 3bjm s ILE 407 Cb -0.00 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 3bjm s ILE 407 CO 0.00 0.20 -0.05 -0.62 0.00 0.00 0.00 174.94 174.47 3bjm n GLU 408 N 4.16 1.07 -3.48 2.79 -0.58 0.14 -4.95 120.64 119.78 3bjm n GLU 408 Ca -0.01 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 3bjm n GLU 408 Cb 0.51 -1.37 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 3bjm n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bjm s ALA 409 N -2.36 -1.71 -0.05 0.62 0.00 -1.03 -4.86 121.76 112.36 3bjm s ALA 409 Ca -0.16 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3bjm s ALA 409 Cb 0.05 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.54 3bjm s ALA 409 CO 0.52 -0.53 0.01 -1.17 0.00 0.00 0.00 175.76 174.59 3bjm s LEU 410 N -1.81 0.68 0.00 0.00 1.98 -1.26 0.14 118.68 118.41 3bjm s LEU 410 Ca -0.06 -0.03 0.01 0.00 -2.89 0.00 0.00 54.13 51.16 3bjm s LEU 410 Cb -0.00 -0.30 -0.00 0.00 0.66 0.00 0.00 46.19 46.54 3bjm s LEU 410 CO 0.01 -0.17 0.03 0.35 -1.89 0.00 0.00 176.35 174.68 3bjm n THR 411 N 4.83 0.00 0.25 3.68 -2.24 0.57 -4.94 114.28 116.43 3bjm n THR 411 Ca -0.13 -2.42 0.10 0.00 -2.27 0.00 0.00 64.05 59.33 3bjm n THR 411 Cb 0.50 0.57 0.63 0.00 -2.10 0.00 0.00 70.33 69.93 3bjm n THR 411 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3bjm h SER 412 N 1.32 0.00 0.00 3.42 0.87 -2.01 -3.28 113.55 113.88 3bjm h SER 412 Ca -0.41 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.90 3bjm h SER 412 Cb 1.28 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.19 3bjm h SER 412 CO 0.67 0.16 -1.95 0.47 -0.53 0.00 0.00 176.83 175.64 3bjm n ASP 413 N -3.89 1.92 -4.05 6.23 8.00 -1.26 -4.89 116.55 118.62 3bjm n ASP 413 Ca -0.02 -0.03 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 3bjm n ASP 413 Cb 0.25 0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.76 3bjm n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bjm s TYR 414 N -2.34 0.45 -0.10 1.24 1.51 -1.24 -0.89 117.35 115.98 3bjm s TYR 414 Ca -0.12 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 3bjm s TYR 414 Cb 0.05 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.56 3bjm s TYR 414 CO 0.51 -0.27 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.37 3bjm s LEU 415 N -2.27 2.67 -0.12 -1.29 0.20 -1.09 -0.31 118.68 116.47 3bjm s LEU 415 Ca -0.03 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.44 3bjm s LEU 415 Cb -0.00 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 3bjm s LEU 415 CO -0.05 0.22 0.05 -0.31 -0.29 0.00 0.00 176.35 175.96 3bjm s TYR 416 N 0.02 3.29 0.06 5.38 1.51 0.12 -1.65 117.35 126.07 3bjm s TYR 416 Ca -0.05 0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 3bjm s TYR 416 Cb -0.14 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 3bjm s TYR 416 CO 0.04 0.43 0.13 1.52 -1.11 0.00 0.00 175.55 176.56 3bjm s TYR 417 N -0.54 0.21 -0.09 2.71 1.13 -0.79 0.27 117.35 120.25 3bjm s TYR 417 Ca 0.10 -0.58 -0.06 0.00 -1.41 0.00 0.00 57.07 55.13 3bjm s TYR 417 Cb -0.12 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 3bjm s TYR 417 CO 0.02 -0.44 0.15 0.42 -2.51 0.00 0.00 175.55 173.19 3bjm s ILE 418 N -3.24 5.45 0.21 -3.49 -1.09 0.38 -0.77 121.20 118.65 3bjm s ILE 418 Ca 0.00 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.42 3bjm s ILE 418 Cb 0.02 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.47 3bjm s ILE 418 CO -0.08 0.54 0.36 -0.94 -1.23 0.00 0.00 174.94 173.59 3bjm s SER 419 N -1.27 -0.02 -0.46 3.58 1.04 -0.49 0.67 113.70 116.75 3bjm s SER 419 Ca 0.18 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.69 3bjm s SER 419 Cb -0.12 0.50 0.52 0.00 0.10 0.00 0.00 66.02 67.02 3bjm s SER 419 CO 0.08 -1.00 1.73 -0.46 0.98 0.00 0.00 173.24 174.56 3bjm n ASN 420 N -0.30 5.03 -0.03 7.02 2.04 -1.06 -0.67 115.26 127.28 3bjm n ASN 420 Ca -0.03 -3.74 -0.11 0.00 -0.44 0.00 0.00 54.58 50.25 3bjm n ASN 420 Cb 0.63 -0.75 -0.06 0.00 -2.53 0.00 0.00 39.78 37.07 3bjm n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3bjm h GLU 421 N 1.55 0.20 -6.13 -3.83 4.81 -1.85 -3.37 114.58 105.97 3bjm h GLU 421 Ca 0.48 -0.04 -0.75 0.00 -0.13 0.00 0.00 59.36 58.92 3bjm h GLU 421 Cb 1.63 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.99 3bjm h GLU 421 CO 1.05 0.33 0.89 0.98 -0.73 0.00 0.00 179.01 181.52 3bjm n TYR 422 N -4.87 2.03 -1.52 0.92 9.36 -1.26 -0.79 117.16 121.04 3bjm n TYR 422 Ca -0.05 0.59 -0.18 0.00 3.32 0.00 0.00 57.90 61.58 3bjm n TYR 422 Cb 0.13 -2.44 -0.08 0.00 -0.63 0.00 0.00 39.34 36.33 3bjm n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3bjm n LYS 423 N 5.27 -1.49 -1.54 2.98 5.02 -1.26 -2.48 118.16 124.66 3bjm n LYS 423 Ca 0.27 1.11 -0.19 0.00 -2.02 0.00 0.00 58.31 57.48 3bjm n LYS 423 Cb 0.11 -5.48 -0.08 0.00 -0.02 0.00 0.00 35.03 29.56 3bjm n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bjm n GLY 424 N -0.24 1.81 3.53 0.72 0.00 0.03 -4.94 105.19 106.10 3bjm n GLY 424 Ca -0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3bjm n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bjm s MET 425 N -3.58 3.37 0.31 1.61 -1.94 -1.03 -4.91 119.30 113.12 3bjm s MET 425 Ca 0.00 -0.20 0.25 0.00 -1.71 0.00 0.00 55.69 54.03 3bjm s MET 425 Cb 0.00 -3.98 1.08 0.00 2.01 0.00 0.00 34.83 33.94 3bjm s MET 425 CO 0.00 -1.20 1.75 -1.00 -0.01 0.00 0.00 175.02 174.56 3bjm h PRO 426 N 9.05 0.00 -0.64 2.03 0.13 -1.89 -2.33 132.00 138.35 3bjm h PRO 426 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3bjm h PRO 426 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3bjm h PRO 426 CO 0.99 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 3bjm n GLY 427 N -0.18 2.21 3.77 1.56 0.00 -1.26 -4.89 105.19 106.40 3bjm n GLY 427 Ca 0.01 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 3bjm n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bjm s GLY 428 N -0.91 1.63 -0.02 -0.02 0.00 -0.88 -2.25 107.32 104.88 3bjm s GLY 428 Ca 0.44 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 3bjm s GLY 428 CO 0.25 -1.60 0.03 0.50 0.00 0.00 0.00 173.10 172.28 3bjm s ARG 429 N -3.83 0.00 0.02 2.90 1.81 -0.59 -4.02 118.95 115.24 3bjm s ARG 429 Ca 0.35 0.18 -0.01 0.00 -1.72 0.00 0.00 55.73 54.53 3bjm s ARG 429 Cb -0.06 -0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.13 3bjm s ARG 429 CO 0.23 -0.17 -0.01 -0.80 -0.68 0.00 0.00 175.30 173.87 3bjm s ASN 430 N 1.12 0.25 -0.12 0.23 0.01 0.15 -1.27 114.94 115.31 3bjm s ASN 430 Ca -0.08 -0.54 -0.21 0.00 -0.71 0.00 0.00 52.86 51.32 3bjm s ASN 430 Cb -0.13 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.62 3bjm s ASN 430 CO -0.03 -0.35 0.61 -0.22 -1.51 0.00 0.00 177.10 175.60 3bjm s LEU 431 N -1.66 4.25 0.29 0.60 0.20 -1.26 -1.40 118.68 119.71 3bjm s LEU 431 Ca -0.13 0.96 0.08 0.00 0.69 0.00 0.00 54.13 55.73 3bjm s LEU 431 Cb -0.07 -2.90 -0.06 0.00 -0.43 0.00 0.00 46.19 42.73 3bjm s LEU 431 CO -0.02 -0.12 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.52 3bjm s TYR 432 N 1.07 2.07 -0.00 5.38 1.51 0.05 -0.39 117.35 127.04 3bjm s TYR 432 Ca 0.31 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3bjm s TYR 432 Cb -0.16 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 3bjm s TYR 432 CO 0.13 0.40 -0.08 -1.59 -1.11 0.00 0.00 175.55 173.30 3bjm s LYS 433 N -3.67 0.65 -0.16 -0.62 -2.85 -0.76 -1.89 119.74 110.45 3bjm s LYS 433 Ca 0.30 -0.32 -0.03 0.00 -1.00 0.00 0.00 55.97 54.91 3bjm s LYS 433 Cb 0.02 -0.62 -0.03 0.00 -2.06 0.00 0.00 37.83 35.14 3bjm s LYS 433 CO 0.13 0.17 -0.04 0.42 0.10 0.00 0.00 175.35 176.12 3bjm s ILE 434 N -0.25 3.82 -0.09 3.79 1.01 -0.66 -1.54 121.20 127.28 3bjm s ILE 434 Ca 0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 3bjm s ILE 434 Cb -0.03 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3bjm s ILE 434 CO -0.00 0.49 1.50 -1.58 0.00 0.00 0.00 174.94 175.35 3bjm s GLN 435 N 0.40 4.20 0.28 2.79 0.74 -0.65 -2.66 119.66 124.76 3bjm s GLN 435 Ca -0.04 1.99 -0.00 0.00 0.05 0.00 0.00 55.36 57.35 3bjm s GLN 435 Cb -0.14 -3.89 0.42 0.00 1.10 0.00 0.00 33.01 30.50 3bjm s GLN 435 CO 0.03 -0.78 1.81 -0.07 -0.55 0.00 0.00 175.29 175.73 3bjm h LEU 436 N 9.96 0.72 0.00 3.68 3.38 -1.36 -2.16 115.31 129.53 3bjm h LEU 436 Ca -0.35 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3bjm h LEU 436 Cb 1.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3bjm h LEU 436 CO 0.96 0.74 0.00 -1.54 0.09 0.00 0.00 178.44 178.69 3bjm n SER 437 N -4.26 0.00 -3.18 -0.43 3.41 -1.26 -4.52 113.62 103.38 3bjm n SER 437 Ca 0.03 0.28 0.02 0.00 -0.26 0.00 0.00 58.87 58.93 3bjm n SER 437 Cb 0.25 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 3bjm n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bjm s ASP 438 N -2.83 -1.28 0.58 4.04 2.15 -0.81 -5.04 116.67 113.47 3bjm s ASP 438 Ca 0.16 0.16 0.37 0.00 0.43 0.00 0.00 52.55 53.68 3bjm s ASP 438 Cb 0.16 1.89 1.81 0.00 -0.30 0.00 0.00 42.92 46.48 3bjm s ASP 438 CO 0.42 -0.30 2.13 1.88 -0.17 0.00 0.00 175.17 179.12 3bjm h TYR 439 N 8.03 0.00 0.00 -5.34 0.05 -1.79 -1.57 116.97 116.35 3bjm h TYR 439 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3bjm h TYR 439 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3bjm h TYR 439 CO 0.25 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.61 3bjm n THR 440 N -2.99 0.11 -3.36 -2.88 -2.24 -1.26 -4.42 114.28 97.23 3bjm n THR 440 Ca -0.01 0.03 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 3bjm n THR 440 Cb 0.18 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 3bjm n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bjm s LYS 441 N -2.39 3.67 -0.20 -0.78 1.02 -0.59 -5.02 119.74 115.46 3bjm s LYS 441 Ca 0.30 -2.66 -0.05 0.00 0.02 0.00 0.00 55.97 53.58 3bjm s LYS 441 Cb 0.18 -4.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.06 3bjm s LYS 441 CO 0.37 -1.27 0.00 0.08 -0.92 0.00 0.00 175.35 173.61 3bjm s VAL 442 N -0.22 3.98 -0.19 3.17 1.01 -1.26 -1.64 120.40 125.26 3bjm s VAL 442 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 3bjm s VAL 442 Cb -0.11 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3bjm s VAL 442 CO -0.09 0.43 -0.03 -0.89 0.00 0.00 0.00 175.10 174.52 3bjm s THR 443 N 1.00 3.69 -0.11 3.92 2.01 -0.59 -4.98 115.64 120.59 3bjm s THR 443 Ca 0.02 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 3bjm s THR 443 Cb -0.14 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 3bjm s THR 443 CO 0.02 0.45 0.94 0.00 -0.69 0.00 0.00 174.62 175.34 3bjm n LEU 445 N 4.88 0.70 0.00 0.00 4.77 0.48 -4.52 117.00 123.31 3bjm n LEU 445 Ca 0.07 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3bjm n LEU 445 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3bjm n LEU 445 CO 0.51 0.14 -0.30 -1.54 -1.33 0.00 0.00 177.39 174.87 3bjm n SER 446 N -1.68 3.00 -0.31 -1.43 3.41 -1.23 -4.84 113.62 110.54 3bjm n SER 446 Ca 0.03 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.80 3bjm n SER 446 Cb 0.38 0.55 0.33 0.00 -0.26 0.00 0.00 64.21 65.20 3bjm n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bjm n GLU 448 N -5.16 2.37 -0.22 0.00 -0.58 -1.26 -4.36 120.64 111.43 3bjm n GLU 448 Ca 0.24 -1.87 -0.05 0.00 -0.42 0.00 0.00 57.16 55.05 3bjm n GLU 448 Cb 0.74 -1.26 0.05 0.00 -0.57 0.00 0.00 31.44 30.40 3bjm n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3bjm h LEU 449 N 2.10 0.72 -5.00 -4.62 3.38 -1.81 -3.40 115.31 106.68 3bjm h LEU 449 Ca 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3bjm h LEU 449 Cb 0.68 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 3bjm h LEU 449 CO 0.00 0.52 -0.33 -3.20 0.09 0.00 0.00 178.44 175.52 3bjm n ASN 450 N -4.65 -2.59 0.19 -0.43 2.85 -1.26 -5.07 115.26 104.31 3bjm n ASN 450 Ca 0.05 -2.11 0.14 0.00 -0.11 0.00 0.00 54.58 52.54 3bjm n ASN 450 Cb 0.03 1.33 0.68 0.00 1.24 0.00 0.00 39.78 43.05 3bjm n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3bjm h PRO 451 N 4.59 0.00 0.00 1.20 0.13 -1.78 -0.81 132.00 135.33 3bjm h PRO 451 Ca 0.02 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.82 3bjm h PRO 451 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 3bjm h PRO 451 CO -0.03 0.00 -2.08 0.39 -0.23 0.00 0.00 178.00 176.05 3bjm n GLU 452 N -2.45 0.66 -0.02 0.86 4.71 -1.26 -4.37 120.64 118.78 3bjm n GLU 452 Ca -0.01 0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 57.18 3bjm n GLU 452 Cb 0.10 -1.64 -0.14 0.00 -1.01 0.00 0.00 31.44 28.75 3bjm n GLU 452 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3bjm n ARG 453 N -2.88 0.64 -3.86 3.49 0.63 -0.87 -4.52 116.66 109.29 3bjm n ARG 453 Ca -0.26 0.30 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 3bjm n ARG 453 Cb 1.11 -1.79 -0.16 0.00 0.45 0.00 0.00 32.46 32.07 3bjm n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bjm n GLN 455 N 4.83 0.59 -3.44 0.00 6.02 0.17 -4.52 117.38 121.04 3bjm n GLN 455 Ca -0.11 -0.76 -0.21 0.00 -0.01 0.00 0.00 57.00 55.91 3bjm n GLN 455 Cb 0.45 -0.61 -0.11 0.00 1.02 0.00 0.00 30.24 30.99 3bjm n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3bjm s TYR 456 N -0.24 -0.15 0.04 1.08 6.14 -1.13 -1.55 117.35 121.55 3bjm s TYR 456 Ca 0.01 -0.55 0.04 0.00 0.64 0.00 0.00 57.07 57.20 3bjm s TYR 456 Cb 0.01 -0.60 -0.04 0.00 0.42 0.00 0.00 41.96 41.74 3bjm s TYR 456 CO 0.00 -0.90 -0.04 0.71 0.64 0.00 0.00 175.55 175.96 3bjm s TYR 457 N 2.08 2.93 0.45 4.97 2.02 -0.40 -0.55 117.35 128.85 3bjm s TYR 457 Ca 0.11 -0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 3bjm s TYR 457 Cb -0.15 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 3bjm s TYR 457 CO -0.28 0.43 0.01 -1.54 -1.57 0.00 0.00 175.55 172.60 3bjm s SER 458 N -1.79 3.99 0.04 2.29 1.04 0.12 -4.56 113.70 114.84 3bjm s SER 458 Ca 0.20 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.14 3bjm s SER 458 Cb -0.11 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3bjm s SER 458 CO 0.12 -0.62 -0.02 0.54 0.98 0.00 0.00 173.24 174.24 3bjm s VAL 459 N -2.78 0.19 -0.17 5.02 0.11 -1.26 -1.44 120.40 120.07 3bjm s VAL 459 Ca 0.23 -1.54 -0.04 0.00 -2.93 0.00 0.00 61.98 57.70 3bjm s VAL 459 Cb 0.06 -1.19 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3bjm s VAL 459 CO 0.12 -0.85 0.07 -0.55 -3.33 0.00 0.00 175.10 170.56 3bjm s SER 460 N -2.53 2.41 0.14 3.54 0.15 -0.70 -4.98 113.70 111.73 3bjm s SER 460 Ca 0.01 -0.61 -0.17 0.00 0.70 0.00 0.00 55.95 55.87 3bjm s SER 460 Cb 0.03 -0.34 -0.07 0.00 -1.71 0.00 0.00 66.02 63.93 3bjm s SER 460 CO -0.08 -0.33 0.60 -0.36 1.20 0.00 0.00 173.24 174.27 3bjm s PHE 461 N 2.05 3.69 0.98 3.44 0.08 -1.26 -1.11 117.98 125.86 3bjm s PHE 461 Ca 0.01 1.21 -0.13 0.00 0.12 0.00 0.00 56.93 58.14 3bjm s PHE 461 Cb -0.16 -2.47 0.18 0.00 -0.57 0.00 0.00 43.02 40.00 3bjm s PHE 461 CO -0.08 0.47 1.13 -1.54 -0.10 0.00 0.00 175.22 175.09 3bjm s SER 462 N -1.49 2.82 -0.04 1.36 1.04 -0.11 -4.86 113.70 112.41 3bjm s SER 462 Ca 0.36 0.97 -0.36 0.00 0.48 0.00 0.00 55.95 57.39 3bjm s SER 462 Cb -0.17 -1.51 -0.14 0.00 0.10 0.00 0.00 66.02 64.29 3bjm s SER 462 CO 0.20 -2.99 1.67 0.29 0.98 0.00 0.00 173.24 173.39 3bjm n LYS 463 N -4.05 1.71 -0.97 4.02 4.01 -0.98 -0.59 118.16 121.30 3bjm n LYS 463 Ca 0.07 0.62 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 3bjm n LYS 463 Cb 0.59 -2.37 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 3bjm n LYS 463 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3bjm n GLU 464 N 4.75 -0.49 -1.95 1.97 2.13 -1.26 -3.87 120.64 121.93 3bjm n GLU 464 Ca 0.21 0.12 -0.15 0.00 0.66 0.00 0.00 57.16 58.01 3bjm n GLU 464 Cb 0.23 -3.51 -0.03 0.00 0.27 0.00 0.00 31.44 28.40 3bjm n GLU 464 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3bjm n ALA 465 N 1.00 -0.36 0.15 4.31 0.00 0.24 -4.88 120.51 120.97 3bjm n ALA 465 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.62 3bjm n ALA 465 Cb 0.12 -1.69 0.31 0.00 0.00 0.00 0.00 19.45 18.20 3bjm n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3bjm h LYS 466 N 0.00 0.10 -4.56 0.00 1.79 -1.76 -3.41 116.57 108.73 3bjm h LYS 466 Ca -0.34 -0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 57.88 3bjm h LYS 466 Cb 1.16 -0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.64 3bjm h LYS 466 CO 0.44 0.45 -0.70 0.71 -1.08 0.00 0.00 179.45 179.27 3bjm s TYR 467 N -4.22 0.79 -0.01 -1.35 2.02 -1.26 -0.63 117.35 112.68 3bjm s TYR 467 Ca -0.04 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 55.74 3bjm s TYR 467 Cb 0.14 -0.47 -0.00 0.00 -0.40 0.00 0.00 41.96 41.23 3bjm s TYR 467 CO 0.74 -0.18 0.09 1.52 -1.57 0.00 0.00 175.55 176.15 3bjm s TYR 468 N -3.36 0.03 -0.26 2.71 1.13 -0.62 -0.93 117.35 116.05 3bjm s TYR 468 Ca 0.08 -0.07 -0.11 0.00 -1.41 0.00 0.00 57.07 55.56 3bjm s TYR 468 Cb 0.04 -0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 3bjm s TYR 468 CO -0.05 -0.18 0.20 -1.14 -2.51 0.00 0.00 175.55 171.87 3bjm s GLN 469 N -0.87 4.00 0.09 -3.49 0.74 -0.27 -0.55 119.66 119.32 3bjm s GLN 469 Ca -0.10 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 54.88 3bjm s GLN 469 Cb -0.06 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.37 3bjm s GLN 469 CO 0.00 -0.10 0.56 -0.51 -0.55 0.00 0.00 175.29 174.69 3bjm s LEU 470 N 1.53 4.47 -0.21 3.68 1.43 0.96 -1.71 118.68 128.83 3bjm s LEU 470 Ca 0.08 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3bjm s LEU 470 Cb -0.15 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.14 3bjm s LEU 470 CO 0.09 0.23 -0.01 -0.60 0.23 0.00 0.00 176.35 176.29 3bjm s ARG 471 N -1.34 1.10 -0.15 1.70 3.52 -0.52 -1.59 118.95 121.67 3bjm s ARG 471 Ca 0.31 -0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 55.18 3bjm s ARG 471 Cb -0.18 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 3bjm s ARG 471 CO 0.19 -0.61 0.10 0.00 -0.81 0.00 0.00 175.30 174.17 3bjm n SER 473 N 2.71 1.67 0.00 0.00 7.64 0.28 -2.03 113.62 123.89 3bjm n SER 473 Ca -0.18 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.32 3bjm n SER 473 Cb 0.53 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3bjm n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bjm n GLY 474 N 0.27 -0.03 0.22 0.23 0.00 -1.25 -0.45 105.19 104.17 3bjm n GLY 474 Ca 0.04 -1.16 0.10 0.00 0.00 0.00 0.00 46.02 45.00 3bjm n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bjm h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.84 0.50 132.00 133.39 3bjm h PRO 475 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3bjm h PRO 475 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3bjm h PRO 475 CO 0.00 0.21 0.01 0.41 -0.23 0.00 0.00 178.00 178.40 3bjm n GLY 476 N 0.19 -0.94 3.76 1.56 0.00 0.09 -4.36 105.19 105.49 3bjm n GLY 476 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3bjm n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bjm s LEU 477 N 0.00 3.89 0.49 0.99 1.43 -1.26 -4.58 118.68 119.63 3bjm s LEU 477 Ca 0.03 2.62 -0.24 0.00 -1.03 0.00 0.00 54.13 55.51 3bjm s LEU 477 Cb -0.00 -4.27 -0.07 0.00 0.03 0.00 0.00 46.19 41.87 3bjm s LEU 477 CO 0.02 -1.38 1.41 -2.65 0.23 0.00 0.00 176.35 173.98 3bjm n PRO 478 N -0.89 2.07 -3.85 1.29 -0.02 -1.26 -4.75 135.00 127.59 3bjm n PRO 478 Ca 0.10 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 62.11 3bjm n PRO 478 Cb 0.46 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.15 3bjm n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3bjm s LEU 479 N -2.98 0.76 -0.14 2.45 0.20 -0.86 -4.21 118.68 113.90 3bjm s LEU 479 Ca 0.65 -0.06 -0.02 0.00 0.69 0.00 0.00 54.13 55.39 3bjm s LEU 479 Cb -0.44 -0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 3bjm s LEU 479 CO 0.55 -0.16 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.05 3bjm s TYR 480 N 1.63 2.92 0.04 5.38 1.51 0.15 -1.68 117.35 127.30 3bjm s TYR 480 Ca -0.01 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3bjm s TYR 480 Cb -0.13 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3bjm s TYR 480 CO -0.03 -0.14 -0.05 0.95 -1.11 0.00 0.00 175.55 175.17 3bjm s THR 481 N 0.39 0.32 -0.02 -0.71 -4.23 -0.62 -0.68 115.64 110.09 3bjm s THR 481 Ca -0.07 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3bjm s THR 481 Cb -0.15 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 3bjm s THR 481 CO 0.04 -0.53 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.30 3bjm s LEU 482 N -1.75 3.17 0.04 4.79 0.20 -0.67 -0.03 118.68 124.44 3bjm s LEU 482 Ca -0.10 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 3bjm s LEU 482 Cb -0.07 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3bjm s LEU 482 CO -0.02 0.31 -0.03 -1.00 -0.29 0.00 0.00 176.35 175.32 3bjm s HIS 483 N -0.94 0.45 -0.04 5.38 3.76 0.29 -1.30 115.29 122.88 3bjm s HIS 483 Ca 0.16 -0.93 0.03 0.00 -0.15 0.00 0.00 55.06 54.16 3bjm s HIS 483 Cb -0.11 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.21 3bjm s HIS 483 CO 0.06 -0.33 -0.11 -1.54 -0.85 0.00 0.00 174.74 171.97 3bjm s SER 484 N -2.55 4.34 0.37 1.40 1.04 -0.91 -1.58 113.70 115.80 3bjm s SER 484 Ca 0.01 -0.13 0.19 0.00 0.48 0.00 0.00 55.95 56.50 3bjm s SER 484 Cb 0.03 -0.99 0.57 0.00 0.10 0.00 0.00 66.02 65.73 3bjm s SER 484 CO -0.08 0.34 1.67 0.28 0.98 0.00 0.00 173.24 176.43 3bjm h SER 485 N 5.14 0.00 -0.15 7.02 0.02 -1.11 -0.86 113.55 123.61 3bjm h SER 485 Ca -0.48 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 3bjm h SER 485 Cb 1.16 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 3bjm h SER 485 CO 0.51 0.36 -0.25 0.58 -1.14 0.00 0.00 176.83 176.90 3bjm h VAL 486 N 0.00 0.41 0.00 2.27 2.07 -1.91 -3.19 116.25 115.89 3bjm h VAL 486 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3bjm h VAL 486 Cb 1.00 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3bjm h VAL 486 CO 0.05 0.00 -0.21 0.59 0.02 0.00 0.00 177.57 178.02 3bjm n ASN 487 N -5.37 1.51 -3.84 0.57 4.13 -1.25 -4.98 115.26 106.02 3bjm n ASN 487 Ca -0.02 -2.74 -0.30 0.00 1.68 0.00 0.00 54.58 53.20 3bjm n ASN 487 Cb 0.29 -0.35 0.01 0.00 -1.54 0.00 0.00 39.78 38.18 3bjm n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3bjm n ASP 488 N -0.90 -4.25 -4.76 6.41 10.43 -0.34 -4.92 116.55 118.22 3bjm n ASP 488 Ca 0.11 -0.73 -0.40 0.00 2.57 0.00 0.00 54.79 56.34 3bjm n ASP 488 Cb 0.67 -3.44 -0.05 0.00 1.84 0.00 0.00 41.12 40.15 3bjm n ASP 488 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3bjm s LYS 489 N -6.53 4.59 -0.17 -1.24 2.20 -1.14 -4.86 119.74 112.59 3bjm s LYS 489 Ca 0.62 1.70 -0.29 0.00 -0.36 0.00 0.00 55.97 57.63 3bjm s LYS 489 Cb -0.32 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3bjm s LYS 489 CO 0.76 0.19 1.15 0.20 -0.36 0.00 0.00 175.35 177.29 3bjm s GLY 490 N -1.06 1.81 -0.18 5.54 0.00 -1.26 -2.14 107.32 110.03 3bjm s GLY 490 Ca 0.46 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 45.35 3bjm s GLY 490 CO 0.37 2.29 0.30 1.41 0.00 0.00 0.00 173.10 177.47 3bjm h LEU 491 N 9.23 0.00 -7.00 0.66 3.38 -1.55 -3.49 115.31 116.54 3bjm h LEU 491 Ca -0.25 -0.55 0.18 0.00 0.09 0.00 0.00 57.88 57.35 3bjm h LEU 491 Cb 1.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 3bjm h LEU 491 CO 0.95 1.23 0.71 0.00 0.09 0.00 0.00 178.44 181.42 3bjm s ARG 492 N -2.27 0.43 0.12 1.13 1.70 -1.21 -5.03 118.95 113.82 3bjm s ARG 492 Ca -0.23 -0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 54.70 3bjm s ARG 492 Cb 0.03 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 3bjm s ARG 492 CO 0.54 -0.16 0.88 0.08 -1.08 0.00 0.00 175.30 175.56 3bjm s VAL 493 N -1.93 4.48 -0.26 4.99 1.01 -1.26 -1.67 120.40 125.76 3bjm s VAL 493 Ca 0.05 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.88 3bjm s VAL 493 Cb -0.01 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 3bjm s VAL 493 CO -0.04 0.39 -0.29 0.18 0.00 0.00 0.00 175.10 175.34 3bjm n LEU 494 N 2.44 2.45 -3.67 3.92 4.77 0.14 -4.94 117.00 122.10 3bjm n LEU 494 Ca -0.01 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3bjm n LEU 494 Cb 0.49 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 3bjm n LEU 494 CO 0.49 0.75 0.17 -0.70 -1.33 0.00 0.00 177.39 176.77 3bjm s GLU 495 N -2.50 0.52 0.00 3.23 2.56 -1.12 -4.99 118.70 116.39 3bjm s GLU 495 Ca -0.36 0.97 0.03 0.00 0.00 0.00 0.00 54.97 55.61 3bjm s GLU 495 Cb 0.12 0.04 0.05 0.00 2.00 0.00 0.00 34.13 36.35 3bjm s GLU 495 CO 0.53 -0.16 0.85 -0.40 -0.56 0.00 0.00 175.26 175.52 3bjm n ASP 496 N 4.30 1.78 -2.87 -1.70 5.75 -1.26 -0.67 116.55 121.87 3bjm n ASP 496 Ca -0.22 -1.59 -0.22 0.00 -0.01 0.00 0.00 54.79 52.76 3bjm n ASP 496 Cb 0.57 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 3bjm n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bjm n ASN 497 N -0.04 -5.71 -0.13 -1.12 3.02 -1.26 -4.85 115.26 105.17 3bjm n ASN 497 Ca 0.02 -0.20 -0.03 0.00 -0.03 0.00 0.00 54.58 54.34 3bjm n ASN 497 Cb 0.19 -4.67 0.18 0.00 -0.61 0.00 0.00 39.78 34.88 3bjm n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3bjm h SER 498 N -0.93 0.78 -0.92 6.41 4.64 -1.94 -0.88 113.55 120.71 3bjm h SER 498 Ca -0.50 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 60.72 3bjm h SER 498 Cb 1.35 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 3bjm h SER 498 CO 0.56 0.78 0.60 0.00 -0.87 0.00 0.00 176.83 177.89 3bjm h ALA 499 N 1.33 1.23 -0.24 5.18 0.00 -1.99 -1.15 119.26 123.61 3bjm h ALA 499 Ca 0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3bjm h ALA 499 Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bjm h ALA 499 CO 0.00 0.45 -0.51 1.25 0.00 0.00 0.00 179.25 180.44 3bjm h LEU 500 N 1.15 0.76 -0.54 0.00 6.46 -1.74 -3.21 115.31 118.19 3bjm h LEU 500 Ca 0.37 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3bjm h LEU 500 Cb 0.03 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.70 3bjm h LEU 500 CO -0.13 1.13 0.31 -0.78 -0.62 0.00 0.00 178.44 178.35 3bjm h ASP 501 N 0.54 0.48 0.42 1.25 3.58 0.03 -2.25 116.42 120.46 3bjm h ASP 501 Ca 0.02 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 3bjm h ASP 501 Cb 1.07 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 3bjm h ASP 501 CO 0.10 0.33 -0.62 0.07 -2.88 0.00 0.00 179.24 176.25 3bjm h LYS 502 N 0.60 0.19 -0.59 0.28 2.10 -1.40 -2.64 116.57 115.10 3bjm h LYS 502 Ca 0.23 -0.13 -0.10 0.00 -2.00 0.00 0.00 60.65 58.65 3bjm h LYS 502 Cb 0.08 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 3bjm h LYS 502 CO -0.13 0.75 -0.00 0.52 -2.00 0.00 0.00 179.45 178.59 3bjm h MET 503 N 0.14 1.05 0.00 0.07 2.86 -1.45 -3.10 114.93 114.50 3bjm h MET 503 Ca -0.01 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3bjm h MET 503 Cb 1.12 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3bjm h MET 503 CO 0.09 1.03 0.00 -0.07 1.06 0.00 0.00 176.91 179.03 3bjm h LEU 504 N 0.95 0.00 -2.31 1.22 3.38 -1.23 -2.33 115.31 114.99 3bjm h LEU 504 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3bjm h LEU 504 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3bjm h LEU 504 CO 0.03 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 180.11 3bjm h GLN 505 N 0.00 0.00 -0.17 1.13 4.20 -1.39 -1.09 115.11 117.79 3bjm h GLN 505 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bjm h GLN 505 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3bjm h GLN 505 CO 0.00 0.01 0.00 -1.71 -0.67 0.00 0.00 178.83 176.46 3bjm n ASN 506 N -3.15 2.15 -4.30 1.46 5.15 -0.88 -4.90 115.26 110.79 3bjm n ASN 506 Ca -0.02 -1.76 -0.27 0.00 -0.60 0.00 0.00 54.58 51.94 3bjm n ASN 506 Cb 0.18 -0.11 -0.14 0.00 -0.53 0.00 0.00 39.78 39.18 3bjm n ASN 506 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3bjm s VAL 507 N -1.79 1.87 -0.94 3.44 1.01 -0.41 -4.50 120.40 119.08 3bjm s VAL 507 Ca 0.34 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3bjm s VAL 507 Cb 0.19 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 35.00 3bjm s VAL 507 CO 0.29 0.15 1.31 -1.10 0.00 0.00 0.00 175.10 175.75 3bjm s GLN 508 N -1.53 3.52 0.20 2.72 -0.21 0.05 -4.93 119.66 119.48 3bjm s GLN 508 Ca 0.09 -1.18 -0.10 0.00 0.02 0.00 0.00 55.36 54.19 3bjm s GLN 508 Cb -0.10 -5.04 -0.07 0.00 1.00 0.00 0.00 33.01 28.80 3bjm s GLN 508 CO 0.03 -2.06 0.53 -1.64 -2.12 0.00 0.00 175.29 170.03 3bjm s MET 509 N 4.39 3.81 0.72 2.91 -1.94 -1.26 -4.33 119.30 123.58 3bjm s MET 509 Ca 0.40 0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 54.53 3bjm s MET 509 Cb -0.03 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 34.11 3bjm s MET 509 CO -0.06 0.36 1.08 -1.25 -0.01 0.00 0.00 175.02 175.14 3bjm s PRO 510 N -2.64 2.68 0.36 2.03 0.04 -1.26 -4.20 135.00 132.01 3bjm s PRO 510 Ca 0.45 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.66 3bjm s PRO 510 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3bjm s PRO 510 CO 0.21 -1.31 0.46 -1.54 0.04 0.00 0.00 177.00 174.85 3bjm s SER 511 N -3.44 5.71 -0.16 6.66 1.04 -0.60 -4.89 113.70 118.03 3bjm s SER 511 Ca 0.61 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.71 3bjm s SER 511 Cb -0.16 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 64.98 3bjm s SER 511 CO 0.53 -0.51 -0.17 -0.75 0.98 0.00 0.00 173.24 173.32 3bjm s LYS 512 N -4.18 2.60 -0.23 4.02 2.20 -1.26 -0.50 119.74 122.39 3bjm s LYS 512 Ca 0.47 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 3bjm s LYS 512 Cb -0.09 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.91 3bjm s LYS 512 CO 0.31 -0.20 0.19 0.21 -0.36 0.00 0.00 175.35 175.50 3bjm s LYS 513 N 1.33 4.11 -0.20 4.03 2.36 0.25 -4.94 119.74 126.67 3bjm s LYS 513 Ca 0.03 -0.20 0.01 0.00 -2.55 0.00 0.00 55.97 53.27 3bjm s LYS 513 Cb -0.13 -3.52 0.04 0.00 -1.05 0.00 0.00 37.83 33.17 3bjm s LYS 513 CO -0.10 0.09 -0.14 -1.17 1.55 0.00 0.00 175.35 175.58 3bjm s LEU 514 N 0.96 2.49 0.00 5.43 0.20 -1.26 0.11 118.68 126.61 3bjm s LEU 514 Ca 0.09 -0.91 -0.03 0.00 0.69 0.00 0.00 54.13 53.98 3bjm s LEU 514 Cb -0.13 -1.40 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 3bjm s LEU 514 CO 0.04 -0.10 0.18 -0.67 -0.29 0.00 0.00 176.35 175.51 3bjm n ASP 515 N 4.60 -0.52 -4.01 3.68 -0.08 -0.57 -5.02 116.55 114.63 3bjm n ASP 515 Ca -0.17 -1.45 -0.10 0.00 -1.51 0.00 0.00 54.79 51.56 3bjm n ASP 515 Cb 0.47 0.89 -0.11 0.00 2.34 0.00 0.00 41.12 44.71 3bjm n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3bjm s PHE 516 N -6.20 0.40 0.16 -0.67 -0.12 -1.26 -0.54 117.98 109.75 3bjm s PHE 516 Ca 0.05 -0.55 0.07 0.00 -0.05 0.00 0.00 56.93 56.45 3bjm s PHE 516 Cb -0.01 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3bjm s PHE 516 CO 0.04 -0.17 -0.03 0.96 -0.05 0.00 0.00 175.22 175.97 3bjm s ILE 517 N -1.59 3.59 -0.22 -4.49 -4.36 -0.44 -4.94 121.20 108.74 3bjm s ILE 517 Ca -0.13 -1.43 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 3bjm s ILE 517 Cb -0.09 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 3bjm s ILE 517 CO -0.01 -0.07 0.09 -0.63 0.24 0.00 0.00 174.94 174.56 3bjm s ILE 518 N -1.64 4.71 -0.17 8.37 1.01 -1.26 -0.89 121.20 131.33 3bjm s ILE 518 Ca 0.26 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 3bjm s ILE 518 Cb -0.10 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3bjm s ILE 518 CO 0.17 0.38 -0.30 0.18 0.00 0.00 0.00 174.94 175.37 3bjm n LEU 519 N 4.32 1.90 0.00 2.97 4.77 -0.66 -4.95 117.00 125.36 3bjm n LEU 519 Ca -0.16 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3bjm n LEU 519 Cb 0.52 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3bjm n LEU 519 CO 0.33 -0.31 0.00 0.59 -1.33 0.00 0.00 177.39 176.67 3bjm n ASN 520 N -4.50 0.00 -0.61 -1.43 4.13 -1.26 -4.87 115.26 106.72 3bjm n ASN 520 Ca -0.13 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.21 3bjm n ASN 520 Cb 0.45 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.91 3bjm n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3bjm n GLU 521 N 0.00 2.22 -4.69 3.52 1.02 -1.26 -5.04 120.64 116.42 3bjm n GLU 521 Ca 0.00 -2.79 -0.33 0.00 -0.02 0.00 0.00 57.16 54.02 3bjm n GLU 521 Cb 0.00 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 29.58 3bjm n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3bjm s THR 522 N -2.89 3.39 0.04 2.62 2.01 -1.26 -5.11 115.64 114.45 3bjm s THR 522 Ca 0.39 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 3bjm s THR 522 Cb 0.33 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 3bjm s THR 522 CO 0.06 0.55 0.85 -0.54 -0.69 0.00 0.00 174.62 174.85 3bjm s LYS 523 N -0.20 4.56 -0.07 4.92 1.02 -1.26 -1.65 119.74 127.06 3bjm s LYS 523 Ca 0.01 1.21 0.03 0.00 0.02 0.00 0.00 55.97 57.24 3bjm s LYS 523 Cb -0.13 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 3bjm s LYS 523 CO 0.03 0.19 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.44 3bjm s PHE 524 N 0.22 1.64 0.16 3.18 0.08 -0.07 -4.99 117.98 118.21 3bjm s PHE 524 Ca 0.43 -0.60 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 3bjm s PHE 524 Cb -0.21 -1.17 -0.06 0.00 -0.57 0.00 0.00 43.02 41.01 3bjm s PHE 524 CO 0.25 -0.28 0.48 -1.58 -0.10 0.00 0.00 175.22 173.99 3bjm s TRP 525 N 0.53 3.52 0.06 0.36 0.52 -1.25 -1.33 118.94 121.35 3bjm s TRP 525 Ca -0.14 0.84 -0.05 0.00 0.02 0.00 0.00 56.10 56.77 3bjm s TRP 525 Cb -0.16 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 3bjm s TRP 525 CO 0.04 0.40 0.07 1.52 0.02 0.00 0.00 176.95 179.01 3bjm s TYR 526 N -1.60 0.32 0.11 -1.98 1.13 0.30 -0.92 117.35 114.72 3bjm s TYR 526 Ca 0.40 -0.78 0.08 0.00 -1.41 0.00 0.00 57.07 55.36 3bjm s TYR 526 Cb -0.13 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 3bjm s TYR 526 CO 0.20 -0.44 -0.20 1.14 -2.51 0.00 0.00 175.55 173.75 3bjm s GLN 527 N -3.63 1.15 -0.08 -3.49 -2.07 -0.48 -1.51 119.66 109.56 3bjm s GLN 527 Ca 0.04 -1.21 0.03 0.00 -1.82 0.00 0.00 55.36 52.39 3bjm s GLN 527 Cb 0.05 -1.37 0.01 0.00 -1.09 0.00 0.00 33.01 30.60 3bjm s GLN 527 CO -0.09 0.31 -0.17 -1.64 -1.32 0.00 0.00 175.29 172.38 3bjm s MET 528 N -2.09 2.21 -0.37 9.60 -1.94 0.12 -1.63 119.30 125.19 3bjm s MET 528 Ca 0.08 -0.59 -0.22 0.00 -1.71 0.00 0.00 55.69 53.25 3bjm s MET 528 Cb -0.09 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 35.01 3bjm s MET 528 CO 0.05 0.08 0.74 0.42 -0.01 0.00 0.00 175.02 176.30 3bjm s ILE 529 N 0.56 4.76 -0.12 2.53 -1.09 0.44 -0.58 121.20 127.70 3bjm s ILE 529 Ca -0.16 0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 58.97 3bjm s ILE 529 Cb -0.17 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3bjm s ILE 529 CO 0.05 -0.44 0.03 -0.76 -1.23 0.00 0.00 174.94 172.59 3bjm s LEU 530 N 3.02 3.70 0.59 2.97 1.43 0.35 -2.27 118.68 128.46 3bjm s LEU 530 Ca 0.29 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.33 3bjm s LEU 530 Cb -0.13 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3bjm s LEU 530 CO 0.17 0.30 1.23 -2.65 0.23 0.00 0.00 176.35 175.63 3bjm n PRO 531 N 2.66 1.29 -1.67 1.29 -0.02 -1.26 -1.56 135.00 135.74 3bjm n PRO 531 Ca -0.18 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 3bjm n PRO 531 Cb 0.53 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 3bjm n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3bjm n PRO 532 N -1.26 1.05 -3.55 0.52 -0.04 -1.26 -2.54 135.00 127.92 3bjm n PRO 532 Ca 0.13 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.77 3bjm n PRO 532 Cb 0.46 -2.33 0.08 0.00 -0.04 0.00 0.00 33.50 31.67 3bjm n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3bjm n HIS 533 N -1.70 -2.74 -1.68 0.54 8.25 -1.26 -4.86 115.22 111.76 3bjm n HIS 533 Ca 0.14 0.99 -0.45 0.00 -0.26 0.00 0.00 57.72 58.14 3bjm n HIS 533 Cb 0.47 -4.99 -0.04 0.00 1.12 0.00 0.00 29.99 26.56 3bjm n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3bjm n PHE 534 N -4.83 2.40 -4.04 4.41 7.35 -1.05 -4.97 117.46 116.73 3bjm n PHE 534 Ca -0.04 0.19 -0.31 0.00 -0.76 0.00 0.00 57.45 56.53 3bjm n PHE 534 Cb 0.58 -2.58 -0.15 0.00 0.35 0.00 0.00 39.48 37.67 3bjm n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3bjm s ASP 535 N 1.12 3.90 0.00 -2.13 -1.08 -1.26 -4.99 116.67 112.23 3bjm s ASP 535 Ca 0.78 -1.13 0.20 0.00 -0.52 0.00 0.00 52.55 51.89 3bjm s ASP 535 Cb -0.63 -1.40 1.09 0.00 -1.46 0.00 0.00 42.92 40.52 3bjm s ASP 535 CO 0.37 -0.16 1.63 2.29 0.52 0.00 0.00 175.17 179.82 3bjm n LYS 536 N 4.56 0.41 0.11 4.34 2.85 -1.26 -1.39 118.16 127.77 3bjm n LYS 536 Ca -0.15 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.29 3bjm n LYS 536 Cb 0.45 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.34 3bjm n LYS 536 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3bjm h SER 537 N 0.00 0.00 -4.41 -5.58 4.64 -1.94 -3.38 113.55 102.88 3bjm h SER 537 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3bjm h SER 537 Cb 0.13 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.30 3bjm h SER 537 CO 0.00 0.02 0.39 -0.54 -0.87 0.00 0.00 176.83 175.84 3bjm s LYS 538 N -3.34 2.77 -0.18 4.77 -0.14 -0.49 -4.99 119.74 118.15 3bjm s LYS 538 Ca -0.00 0.57 -0.04 0.00 -1.36 0.00 0.00 55.97 55.14 3bjm s LYS 538 Cb 0.09 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 3bjm s LYS 538 CO 0.78 -1.12 -0.03 0.15 -0.76 0.00 0.00 175.35 174.37 3bjm s LYS 539 N -5.27 3.59 0.02 1.68 -0.14 -1.26 -4.28 119.74 114.08 3bjm s LYS 539 Ca 0.58 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.71 3bjm s LYS 539 Cb -0.12 -2.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.05 3bjm s LYS 539 CO 0.53 0.11 -0.17 0.71 -0.76 0.00 0.00 175.35 175.77 3bjm s TYR 540 N 0.70 2.59 0.57 3.18 1.51 0.02 -4.71 117.35 121.22 3bjm s TYR 540 Ca -0.02 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 3bjm s TYR 540 Cb -0.14 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 3bjm s TYR 540 CO 0.02 0.23 1.20 -1.25 -1.11 0.00 0.00 175.55 174.64 3bjm s PRO 541 N -1.26 3.12 -0.07 -1.71 0.04 -1.26 -1.37 135.00 132.48 3bjm s PRO 541 Ca 0.14 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.00 3bjm s PRO 541 Cb -0.11 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3bjm s PRO 541 CO 0.04 -1.08 -0.15 -1.17 0.04 0.00 0.00 177.00 174.68 3bjm s LEU 542 N -3.91 1.76 -0.32 -3.56 0.20 -0.87 -1.25 118.68 110.72 3bjm s LEU 542 Ca 0.75 -0.36 -0.09 0.00 0.69 0.00 0.00 54.13 55.11 3bjm s LEU 542 Cb -0.29 -0.97 0.00 0.00 -0.43 0.00 0.00 46.19 44.50 3bjm s LEU 542 CO 0.32 0.07 0.15 -0.22 -0.29 0.00 0.00 176.35 176.39 3bjm s LEU 543 N 0.56 4.22 -0.42 -0.68 0.20 0.20 -0.49 118.68 122.27 3bjm s LEU 543 Ca -0.15 -0.66 -0.28 0.00 0.69 0.00 0.00 54.13 53.73 3bjm s LEU 543 Cb -0.16 -1.99 0.02 0.00 -0.43 0.00 0.00 46.19 43.63 3bjm s LEU 543 CO 0.05 -0.24 1.05 -0.22 -0.29 0.00 0.00 176.35 176.70 3bjm s LEU 544 N 1.58 3.83 -0.35 -0.68 0.20 0.38 -1.23 118.68 122.41 3bjm s LEU 544 Ca 0.04 0.56 -0.20 0.00 0.69 0.00 0.00 54.13 55.21 3bjm s LEU 544 Cb -0.18 -3.43 0.00 0.00 -0.43 0.00 0.00 46.19 42.15 3bjm s LEU 544 CO 0.06 -1.06 0.62 -0.62 -0.29 0.00 0.00 176.35 175.06 3bjm s ASP 545 N 2.14 6.42 -0.03 3.68 -1.08 0.13 -1.69 116.67 126.23 3bjm s ASP 545 Ca 0.44 0.15 0.06 0.00 -0.52 0.00 0.00 52.55 52.67 3bjm s ASP 545 Cb -0.10 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 3bjm s ASP 545 CO 0.25 -0.58 -0.20 -0.69 0.52 0.00 0.00 175.17 174.47 3bjm s VAL 546 N 2.67 2.55 0.00 1.11 1.01 -0.71 -4.30 120.40 122.73 3bjm s VAL 546 Ca 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3bjm s VAL 546 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3bjm s VAL 546 CO 0.14 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.83 3bjm n TYR 547 N 2.36 0.00 -1.00 5.22 9.36 -1.26 -4.28 117.16 127.55 3bjm n TYR 547 Ca -0.17 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.05 3bjm n TYR 547 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 3bjm n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bjm n ALA 548 N -1.71 -0.00 -0.93 2.98 0.00 -1.26 -3.40 120.51 116.19 3bjm n ALA 548 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3bjm n ALA 548 Cb 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 19.45 19.36 3bjm n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3bjm s GLY 549 N -2.04 1.57 0.10 0.00 0.00 -1.26 -4.82 107.32 100.87 3bjm s GLY 549 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 44.72 44.20 3bjm s GLY 549 CO 0.00 0.44 1.63 -1.05 0.00 0.00 0.00 173.10 174.12 3bjm n PRO 550 N -4.40 2.11 -2.16 2.90 -0.02 -1.26 -1.85 135.00 130.32 3bjm n PRO 550 Ca 0.05 0.76 -0.17 0.00 -2.02 0.00 0.00 63.50 62.12 3bjm n PRO 550 Cb 0.56 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3bjm n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bjm s SER 552 N -2.34 6.16 -0.11 0.00 1.04 -0.77 -4.19 113.70 113.48 3bjm s SER 552 Ca 0.00 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 3bjm s SER 552 Cb 0.00 -2.05 0.05 0.00 0.10 0.00 0.00 66.02 64.12 3bjm s SER 552 CO 0.00 -0.56 0.12 -1.58 0.98 0.00 0.00 173.24 172.20 3bjm s GLN 553 N -4.63 0.03 0.00 4.02 0.74 -1.26 -1.38 119.66 117.18 3bjm s GLN 553 Ca 0.46 0.31 0.10 0.00 0.05 0.00 0.00 55.36 56.29 3bjm s GLN 553 Cb -0.10 -0.84 0.09 0.00 1.10 0.00 0.00 33.01 33.26 3bjm s GLN 553 CO 0.42 -0.45 0.84 1.63 -0.55 0.00 0.00 175.29 177.18 3bjm n LYS 554 N 5.31 0.50 -3.87 1.67 4.76 -1.26 -4.84 118.16 120.42 3bjm n LYS 554 Ca -0.05 -1.14 -0.35 0.00 -2.87 0.00 0.00 58.31 53.90 3bjm n LYS 554 Cb 0.50 -1.20 -0.13 0.00 -1.84 0.00 0.00 35.03 32.36 3bjm n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bjm s ALA 555 N -0.87 2.92 0.33 7.82 0.00 -1.26 -4.72 121.76 125.97 3bjm s ALA 555 Ca 0.12 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 50.06 3bjm s ALA 555 Cb 0.09 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 3bjm s ALA 555 CO 0.13 -1.45 0.41 -0.40 0.00 0.00 0.00 175.76 174.45 3bjm n ASP 556 N 4.59 -1.13 -1.80 0.00 5.68 -1.26 -4.42 116.55 118.22 3bjm n ASP 556 Ca -0.09 -2.85 -0.06 0.00 -0.50 0.00 0.00 54.79 51.29 3bjm n ASP 556 Cb 0.43 2.19 0.28 0.00 -1.14 0.00 0.00 41.12 42.88 3bjm n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bjm n THR 557 N -0.56 2.85 -2.69 2.12 -2.24 -0.95 -4.97 114.28 107.83 3bjm n THR 557 Ca 0.02 -1.83 -0.39 0.00 -2.27 0.00 0.00 64.05 59.58 3bjm n THR 557 Cb 0.56 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 3bjm n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bjm s VAL 558 N -3.04 3.97 -0.16 2.28 1.01 -1.26 -1.94 120.40 121.26 3bjm s VAL 558 Ca 0.53 1.86 -0.22 0.00 0.00 0.00 0.00 61.98 64.15 3bjm s VAL 558 Cb 0.43 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3bjm s VAL 558 CO 0.11 0.35 0.66 0.12 0.00 0.00 0.00 175.10 176.34 3bjm s PHE 559 N -1.32 3.43 0.01 5.22 5.36 0.40 -4.91 117.98 126.17 3bjm s PHE 559 Ca 0.45 1.03 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 3bjm s PHE 559 Cb -0.25 -2.81 -0.01 0.00 -0.34 0.00 0.00 43.02 39.61 3bjm s PHE 559 CO 0.31 -0.10 -0.10 1.03 -1.46 0.00 0.00 175.22 174.90 3bjm s ARG 560 N 1.62 0.77 -0.35 10.12 0.52 -1.26 -4.91 118.95 125.45 3bjm s ARG 560 Ca 0.31 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.02 3bjm s ARG 560 Cb -0.16 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.63 3bjm s ARG 560 CO 0.12 0.19 0.12 -0.51 0.02 0.00 0.00 175.30 175.24 3bjm s LEU 561 N -0.50 4.47 0.00 2.53 1.43 -1.26 -4.87 118.68 120.47 3bjm s LEU 561 Ca 0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 3bjm s LEU 561 Cb -0.05 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3bjm s LEU 561 CO -0.00 -0.37 0.00 -0.46 0.23 0.00 0.00 176.35 175.75 3bjm n ASN 562 N 4.76 0.00 -0.29 2.29 0.23 -1.26 -5.01 115.26 115.98 3bjm n ASN 562 Ca -0.11 -0.43 -0.04 0.00 -0.53 0.00 0.00 54.58 53.47 3bjm n ASN 562 Cb 0.44 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.24 3bjm n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3bjm h TRP 563 N 0.43 1.17 -0.34 -2.53 7.01 -1.98 -1.67 115.95 118.03 3bjm h TRP 563 Ca 0.00 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 3bjm h TRP 563 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.68 3bjm h TRP 563 CO 0.00 0.84 0.13 0.00 -2.79 0.00 0.00 178.44 176.62 3bjm h ALA 564 N 1.27 1.59 0.29 2.65 0.00 -1.98 -0.63 119.26 122.45 3bjm h ALA 564 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3bjm h ALA 564 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3bjm h ALA 564 CO -0.04 0.33 -0.17 1.15 0.00 0.00 0.00 179.25 180.51 3bjm h THR 565 N 0.48 0.63 -0.92 0.00 2.02 -1.64 -0.13 112.91 113.35 3bjm h THR 565 Ca 0.12 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 3bjm h THR 565 Cb 0.11 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 3bjm h THR 565 CO -0.01 0.00 0.56 0.22 0.37 0.00 0.00 175.52 176.66 3bjm h TYR 566 N -0.45 1.02 -0.43 3.16 3.20 -1.28 0.90 116.97 123.09 3bjm h TYR 566 Ca -0.03 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3bjm h TYR 566 Cb 0.37 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3bjm h TYR 566 CO -0.09 0.42 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.63 3bjm h LEU 567 N 0.92 0.82 0.00 2.82 3.38 -0.38 -1.64 115.31 121.23 3bjm h LEU 567 Ca 0.45 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3bjm h LEU 567 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3bjm h LEU 567 CO -0.25 0.97 -0.00 0.00 0.09 0.00 0.00 178.44 179.25 3bjm h ALA 568 N 1.10 -0.00 -0.36 1.53 0.00 -0.71 -0.16 119.26 120.66 3bjm h ALA 568 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3bjm h ALA 568 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bjm h ALA 568 CO 0.05 -0.06 -0.22 1.03 0.00 0.00 0.00 179.25 180.05 3bjm h SER 569 N -0.89 0.71 0.00 0.00 0.87 -0.83 -2.66 113.55 110.75 3bjm h SER 569 Ca -0.00 -0.25 -0.30 0.00 -1.23 0.00 0.00 61.79 60.01 3bjm h SER 569 Cb 0.88 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3bjm h SER 569 CO 0.00 0.92 -2.10 0.41 -0.53 0.00 0.00 176.83 175.53 3bjm n THR 570 N -4.12 1.11 0.45 2.23 -1.04 -0.62 -4.59 114.28 107.70 3bjm n THR 570 Ca 0.00 -0.40 0.12 0.00 -2.04 0.00 0.00 64.05 61.73 3bjm n THR 570 Cb 0.42 -1.28 0.18 0.00 -1.82 0.00 0.00 70.33 67.84 3bjm n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3bjm n GLU 571 N -3.20 2.44 -3.85 -2.82 -0.58 -1.11 -4.96 120.64 106.55 3bjm n GLU 571 Ca -0.35 -2.19 -0.28 0.00 -0.42 0.00 0.00 57.16 53.92 3bjm n GLU 571 Cb 0.85 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.26 3bjm n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3bjm n ASN 572 N 1.44 -4.29 -4.74 1.62 3.02 -0.97 -4.94 115.26 106.40 3bjm n ASN 572 Ca 0.18 -0.77 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 3bjm n ASN 572 Cb 0.60 -4.01 -0.08 0.00 -0.61 0.00 0.00 39.78 35.67 3bjm n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bjm s ILE 573 N -3.37 4.97 -0.03 2.41 1.01 -0.11 -4.53 121.20 121.54 3bjm s ILE 573 Ca 0.54 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 3bjm s ILE 573 Cb -0.27 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 3bjm s ILE 573 CO 0.82 0.55 0.94 -0.63 0.00 0.00 0.00 174.94 176.63 3bjm s ILE 574 N -0.46 4.88 -0.29 2.92 1.01 -0.38 -3.36 121.20 125.51 3bjm s ILE 574 Ca 0.10 1.97 -0.03 0.00 0.00 0.00 0.00 60.65 62.69 3bjm s ILE 574 Cb -0.12 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.11 3bjm s ILE 574 CO 0.02 0.14 0.01 -0.69 0.00 0.00 0.00 174.94 174.42 3bjm s VAL 575 N 1.18 3.20 0.03 2.92 1.01 -0.96 0.60 120.40 128.38 3bjm s VAL 575 Ca 0.49 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3bjm s VAL 575 Cb -0.20 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3bjm s VAL 575 CO 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 175.10 175.35 3bjm s ALA 576 N 1.33 3.26 0.02 5.51 0.00 -0.36 -0.42 121.76 131.09 3bjm s ALA 576 Ca -0.02 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3bjm s ALA 576 Cb -0.18 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3bjm s ALA 576 CO -0.01 0.66 -0.12 -1.12 0.00 0.00 0.00 175.76 175.17 3bjm s SER 577 N -1.79 1.39 -0.05 0.00 0.01 -0.64 0.17 113.70 112.78 3bjm s SER 577 Ca 0.21 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3bjm s SER 577 Cb -0.12 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.01 3bjm s SER 577 CO 0.13 0.07 -0.14 0.12 0.41 0.00 0.00 173.24 173.82 3bjm s PHE 578 N -0.58 1.53 -0.49 2.43 5.36 -1.26 -1.38 117.98 123.58 3bjm s PHE 578 Ca 0.02 -0.50 -0.12 0.00 -0.96 0.00 0.00 56.93 55.37 3bjm s PHE 578 Cb -0.06 -1.07 0.12 0.00 -0.34 0.00 0.00 43.02 41.66 3bjm s PHE 578 CO 0.00 -0.22 0.39 -0.51 -1.46 0.00 0.00 175.22 173.42 3bjm s ASP 579 N 0.36 5.88 0.00 6.13 1.01 -0.10 -4.82 116.67 125.13 3bjm s ASP 579 Ca -0.09 -1.81 0.00 0.00 0.71 0.00 0.00 52.55 51.36 3bjm s ASP 579 Cb -0.13 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3bjm s ASP 579 CO 0.03 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.29 3bjm n GLY 580 N 5.03 2.63 3.77 0.21 0.00 -1.26 -3.80 105.19 111.77 3bjm n GLY 580 Ca -0.10 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3bjm n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bjm s ARG 581 N 3.24 3.81 0.00 1.61 0.52 -1.26 -1.63 118.95 125.23 3bjm s ARG 581 Ca 0.00 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 3bjm s ARG 581 Cb 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.76 3bjm s ARG 581 CO 0.00 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 175.04 3bjm n GLY 582 N 0.60 3.19 3.79 -3.53 0.00 0.78 -4.10 105.19 105.92 3bjm n GLY 582 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3bjm n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjm s SER 583 N -0.26 5.08 0.48 1.61 1.04 -0.65 -0.01 113.70 120.99 3bjm s SER 583 Ca 0.00 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.27 3bjm s SER 583 Cb 0.00 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.68 3bjm s SER 583 CO 0.00 -1.64 0.66 0.61 0.98 0.00 0.00 173.24 173.85 3bjm n GLY 584 N -1.39 1.95 2.51 7.32 0.00 -0.48 -3.76 105.19 111.34 3bjm n GLY 584 Ca 0.09 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 3bjm n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bjm n TYR 585 N -2.04 -0.14 -1.40 1.61 4.01 -1.26 -4.77 117.16 113.18 3bjm n TYR 585 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.89 3bjm n TYR 585 Cb 0.49 -3.22 0.01 0.00 -0.31 0.00 0.00 39.34 36.32 3bjm n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3bjm n GLN 586 N -2.51 0.36 0.00 -0.72 6.02 -1.26 -4.60 117.38 114.66 3bjm n GLN 586 Ca -0.19 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 3bjm n GLN 586 Cb 0.62 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.24 3bjm n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bjm n GLY 587 N -0.18 2.22 0.25 1.08 0.00 -1.26 -4.69 105.19 102.61 3bjm n GLY 587 Ca 0.02 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 3bjm n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bjm h ASP 588 N 0.00 0.75 -1.03 1.61 3.32 0.59 -2.18 116.42 119.47 3bjm h ASP 588 Ca 0.00 -0.31 0.28 0.00 0.02 0.00 0.00 57.03 57.02 3bjm h ASP 588 Cb 0.00 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 39.21 3bjm h ASP 588 CO 0.00 1.02 0.61 0.50 -1.72 0.00 0.00 179.24 179.66 3bjm h LYS 589 N 0.60 0.43 0.11 3.56 1.63 -1.88 0.53 116.57 121.54 3bjm h LYS 589 Ca 0.06 -0.03 -0.33 0.00 -0.85 0.00 0.00 60.65 59.51 3bjm h LYS 589 Cb 0.87 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3bjm h LYS 589 CO 0.08 0.28 -1.76 0.82 -3.45 0.00 0.00 179.45 175.42 3bjm h ILE 590 N 0.44 0.77 -0.25 2.00 2.04 -1.81 -3.28 117.51 117.42 3bjm h ILE 590 Ca 0.68 -2.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 3bjm h ILE 590 Cb 1.49 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 3bjm h ILE 590 CO -0.49 0.77 -0.11 -0.03 0.00 0.00 0.00 178.15 178.29 3bjm h MET 591 N -0.15 0.52 -0.00 2.37 4.05 -0.65 0.22 114.93 121.29 3bjm h MET 591 Ca -0.38 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 3bjm h MET 591 Cb 1.88 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 3bjm h MET 591 CO 0.05 0.77 -0.03 0.72 0.23 0.00 0.00 176.91 178.65 3bjm n HIS 592 N -4.49 0.00 0.23 1.39 8.25 0.18 -3.86 115.22 116.92 3bjm n HIS 592 Ca -0.04 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.60 3bjm n HIS 592 Cb 0.34 -0.23 0.85 0.00 1.12 0.00 0.00 29.99 32.07 3bjm n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bjm h ALA 593 N 3.54 1.66 -0.03 -1.41 0.00 -1.60 0.22 119.26 121.63 3bjm h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bjm h ALA 593 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3bjm h ALA 593 CO 0.00 -0.36 -0.00 1.51 0.00 0.00 0.00 179.25 180.39 3bjm n ILE 594 N -3.44 0.00 -1.64 0.00 0.13 -1.25 -4.92 119.36 108.24 3bjm n ILE 594 Ca 0.01 -0.45 -0.49 0.00 -1.10 0.00 0.00 62.75 60.72 3bjm n ILE 594 Cb 0.38 1.32 -0.05 0.00 -0.84 0.00 0.00 39.64 40.45 3bjm n ILE 594 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3bjm n ASN 595 N 1.12 2.43 -0.33 9.51 5.15 0.06 -0.95 115.26 132.26 3bjm n ASN 595 Ca 0.15 1.09 -0.04 0.00 -0.60 0.00 0.00 54.58 55.18 3bjm n ASN 595 Cb 0.55 -1.31 -0.02 0.00 -0.53 0.00 0.00 39.78 38.48 3bjm n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3bjm n ARG 596 N 3.28 -1.88 -2.99 1.20 1.74 0.35 -4.82 116.66 113.53 3bjm n ARG 596 Ca 0.18 0.63 -0.15 0.00 -0.77 0.00 0.00 57.85 57.74 3bjm n ARG 596 Cb 0.24 -5.04 -0.01 0.00 -1.02 0.00 0.00 32.46 26.63 3bjm n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bjm n ARG 597 N 0.28 1.03 -2.18 5.56 1.74 -0.13 -4.91 116.66 118.05 3bjm n ARG 597 Ca -0.04 -3.32 -0.41 0.00 -0.77 0.00 0.00 57.85 53.31 3bjm n ARG 597 Cb 0.52 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 3bjm n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bjm s LEU 598 N -2.68 4.45 0.00 0.55 1.43 -1.24 -3.31 118.68 117.88 3bjm s LEU 598 Ca 0.35 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 3bjm s LEU 598 Cb 0.39 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.97 3bjm s LEU 598 CO -0.04 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3bjm n GLY 599 N 1.01 0.75 0.00 -3.19 0.00 -1.26 -4.83 105.19 97.67 3bjm n GLY 599 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3bjm n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bjm n THR 600 N -2.49 0.00 -0.12 2.61 -2.24 -1.21 -4.76 114.28 106.07 3bjm n THR 600 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3bjm n THR 600 Cb 0.02 -0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.34 3bjm n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3bjm h PHE 601 N 0.00 0.85 -0.09 4.78 0.04 -1.93 0.70 116.94 121.29 3bjm h PHE 601 Ca 0.00 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 3bjm h PHE 601 Cb 0.00 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 3bjm h PHE 601 CO 0.00 0.77 -0.28 1.05 -0.60 0.00 0.00 178.31 179.25 3bjm h GLU 602 N 0.76 0.17 0.15 1.51 9.09 -1.91 0.19 114.58 124.53 3bjm h GLU 602 Ca 0.15 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.50 3bjm h GLU 602 Cb 0.41 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3bjm h GLU 602 CO 0.01 0.44 -0.07 0.28 0.05 0.00 0.00 179.01 179.72 3bjm h VAL 603 N 0.15 0.74 -0.72 -1.06 2.07 -1.58 -3.04 116.25 112.82 3bjm h VAL 603 Ca 0.02 -1.17 0.16 0.00 0.82 0.00 0.00 66.70 66.53 3bjm h VAL 603 Cb 0.58 1.29 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 3bjm h VAL 603 CO 0.04 0.21 0.12 -0.33 0.02 0.00 0.00 177.57 177.63 3bjm h GLU 604 N -0.92 0.21 -0.56 1.57 5.08 -0.74 -2.21 114.58 117.00 3bjm h GLU 604 Ca -0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3bjm h GLU 604 Cb 0.50 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3bjm h GLU 604 CO 0.03 0.14 0.12 -0.44 -1.00 0.00 0.00 179.01 177.86 3bjm h ASP 605 N 0.21 0.82 -0.91 1.42 3.32 -0.70 0.43 116.42 121.02 3bjm h ASP 605 Ca 0.40 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3bjm h ASP 605 Cb 0.68 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 3bjm h ASP 605 CO -0.54 0.81 0.59 1.56 -1.72 0.00 0.00 179.24 179.95 3bjm h GLN 606 N 0.84 1.12 -0.57 3.56 1.08 -1.28 0.20 115.11 120.06 3bjm h GLN 606 Ca 0.18 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.22 3bjm h GLN 606 Cb 0.33 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3bjm h GLN 606 CO 0.00 0.74 -0.00 0.82 -0.95 0.00 0.00 178.83 179.44 3bjm h ILE 607 N 1.16 1.26 -0.12 2.54 2.04 -0.95 -2.53 117.51 120.91 3bjm h ILE 607 Ca 0.36 -1.13 -0.11 0.00 1.00 0.00 0.00 64.86 64.98 3bjm h ILE 607 Cb -0.01 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3bjm h ILE 607 CO -0.11 0.41 -0.41 -0.08 0.00 0.00 0.00 178.15 177.95 3bjm h GLU 608 N 0.89 0.26 -0.47 2.37 4.57 -0.25 -2.46 114.58 119.48 3bjm h GLU 608 Ca 0.16 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3bjm h GLU 608 Cb 0.55 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3bjm h GLU 608 CO 0.03 0.63 -0.13 0.00 -1.18 0.00 0.00 179.01 178.36 3bjm h ALA 609 N 1.36 0.66 -0.31 2.92 0.00 -0.47 -2.23 119.26 121.19 3bjm h ALA 609 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3bjm h ALA 609 Cb 0.82 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bjm h ALA 609 CO 0.06 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.76 3bjm h ALA 610 N 0.88 1.21 -0.37 0.00 0.00 -1.16 0.17 119.26 119.99 3bjm h ALA 610 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3bjm h ALA 610 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3bjm h ALA 610 CO 0.05 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.94 3bjm h ARG 611 N 0.49 0.57 -0.62 0.00 3.08 -1.30 0.18 114.38 116.77 3bjm h ARG 611 Ca 0.09 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3bjm h ARG 611 Cb 0.50 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3bjm h ARG 611 CO 0.03 0.57 0.35 1.96 -1.07 0.00 0.00 179.97 181.81 3bjm h GLN 612 N 0.45 0.64 -0.39 0.04 1.08 -0.77 -0.95 115.11 115.20 3bjm h GLN 612 Ca 0.12 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 3bjm h GLN 612 Cb 0.23 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3bjm h GLN 612 CO -0.01 0.42 -0.02 0.74 -0.95 0.00 0.00 178.83 179.01 3bjm h PHE 613 N 0.66 0.67 -0.45 2.96 0.04 -0.29 -2.53 116.94 117.99 3bjm h PHE 613 Ca 0.27 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3bjm h PHE 613 Cb 0.14 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3bjm h PHE 613 CO -0.08 0.66 0.26 0.77 -0.60 0.00 0.00 178.31 179.31 3bjm h SER 614 N 0.60 0.56 -0.00 2.17 0.02 0.41 -3.04 113.55 114.26 3bjm h SER 614 Ca 0.12 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3bjm h SER 614 Cb 0.41 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3bjm h SER 614 CO 0.02 0.47 -0.23 0.11 -1.14 0.00 0.00 176.83 176.06 3bjm h LYS 615 N 0.60 -0.28 -4.62 3.45 1.57 -0.79 -3.42 116.57 113.08 3bjm h LYS 615 Ca 0.16 0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.36 3bjm h LYS 615 Cb 0.03 0.06 0.04 0.00 0.08 0.00 0.00 32.23 32.45 3bjm h LYS 615 CO -0.03 -0.19 -0.01 -1.33 -0.57 0.00 0.00 179.45 177.32 3bjm n MET 616 N -3.79 0.00 0.00 3.15 2.81 -1.12 -4.74 117.12 113.42 3bjm n MET 616 Ca -0.03 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.93 3bjm n MET 616 Cb 0.17 -1.11 0.41 0.00 -0.71 0.00 0.00 33.22 31.98 3bjm n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bjm n GLY 617 N 1.20 -0.95 1.26 3.03 0.00 -1.26 -3.03 105.19 105.43 3bjm n GLY 617 Ca 0.15 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3bjm n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3bjm n PHE 618 N -0.72 1.17 -4.44 1.61 1.16 -1.26 -4.67 117.46 110.30 3bjm n PHE 618 Ca 0.10 -0.64 -0.33 0.00 -1.87 0.00 0.00 57.45 54.71 3bjm n PHE 618 Cb 0.05 -0.21 -0.15 0.00 -1.61 0.00 0.00 39.48 37.56 3bjm n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3bjm s VAL 619 N -1.87 2.91 -0.72 1.97 1.01 -1.17 -0.80 120.40 121.74 3bjm s VAL 619 Ca 0.44 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 3bjm s VAL 619 Cb 0.29 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3bjm s VAL 619 CO 0.20 0.50 1.30 -0.62 0.00 0.00 0.00 175.10 176.48 3bjm s ASP 620 N 0.83 6.15 0.00 3.32 3.68 -0.47 -4.77 116.67 125.41 3bjm s ASP 620 Ca -0.04 -0.35 0.22 0.00 2.13 0.00 0.00 52.55 54.51 3bjm s ASP 620 Cb -0.15 -2.56 1.30 0.00 -1.45 0.00 0.00 42.92 40.06 3bjm s ASP 620 CO 0.00 -1.83 1.70 -0.46 0.13 0.00 0.00 175.17 174.71 3bjm n ASN 621 N 9.44 0.00 0.09 -0.34 6.94 -1.26 -0.78 115.26 129.35 3bjm n ASN 621 Ca 0.04 -0.63 0.13 0.00 -0.02 0.00 0.00 54.58 54.10 3bjm n ASN 621 Cb 0.49 -0.03 0.29 0.00 -2.36 0.00 0.00 39.78 38.18 3bjm n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3bjm n LYS 622 N -1.03 0.28 -3.36 -3.83 5.02 -1.26 -4.38 118.16 109.60 3bjm n LYS 622 Ca 0.16 0.16 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 3bjm n LYS 622 Cb 0.08 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 3bjm n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bjm n ARG 623 N -2.21 1.84 -4.50 1.97 1.74 0.04 -4.80 116.66 110.74 3bjm n ARG 623 Ca 0.04 -4.15 -0.33 0.00 -0.77 0.00 0.00 57.85 52.64 3bjm n ARG 623 Cb 0.44 -1.90 -0.14 0.00 -1.02 0.00 0.00 32.46 29.84 3bjm n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bjm s ILE 624 N -1.94 3.06 0.39 0.55 1.01 -1.26 -2.06 121.20 120.95 3bjm s ILE 624 Ca 0.37 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3bjm s ILE 624 Cb 0.15 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.24 3bjm s ILE 624 CO -0.06 0.50 0.09 0.00 0.00 0.00 0.00 174.94 175.48 3bjm s ALA 625 N 0.71 3.37 0.00 9.38 0.00 0.36 -1.49 121.76 134.09 3bjm s ALA 625 Ca -0.05 -2.13 -0.06 0.00 0.00 0.00 0.00 51.96 49.72 3bjm s ALA 625 Cb -0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3bjm s ALA 625 CO 0.02 -0.09 0.12 -1.50 0.00 0.00 0.00 175.76 174.30 3bjm s ILE 626 N -2.61 0.08 0.15 0.00 2.07 -0.91 -0.47 121.20 119.52 3bjm s ILE 626 Ca 0.38 -0.67 -0.21 0.00 -1.41 0.00 0.00 60.65 58.75 3bjm s ILE 626 Cb 0.04 -0.39 0.06 0.00 0.13 0.00 0.00 42.46 42.30 3bjm s ILE 626 CO 0.21 -0.37 0.54 -1.66 -1.91 0.00 0.00 174.94 171.75 3bjm s TRP 627 N -1.28 -0.41 0.00 3.50 1.48 -0.68 -0.76 118.94 120.79 3bjm s TRP 627 Ca -0.14 0.16 -0.30 0.00 -1.06 0.00 0.00 56.10 54.76 3bjm s TRP 627 Cb -0.07 0.47 0.11 0.00 -1.16 0.00 0.00 33.47 32.81 3bjm s TRP 627 CO 0.01 -0.82 1.18 0.20 -4.06 0.00 0.00 176.95 173.46 3bjm s GLY 628 N -2.78 -0.36 -0.03 3.67 0.00 -0.80 -1.74 107.32 105.28 3bjm s GLY 628 Ca 0.02 0.68 0.07 0.00 0.00 0.00 0.00 44.72 45.50 3bjm s GLY 628 CO -0.12 0.15 -0.25 0.86 0.00 0.00 0.00 173.10 173.74 3bjm s TRP 629 N -2.66 2.33 0.00 1.90 -0.11 -1.26 -1.50 118.94 117.65 3bjm s TRP 629 Ca 0.13 -0.52 0.00 0.00 1.22 0.00 0.00 56.10 56.92 3bjm s TRP 629 Cb 0.02 -1.51 0.00 0.00 -1.50 0.00 0.00 33.47 30.48 3bjm s TRP 629 CO -0.03 -0.10 0.00 0.45 -4.62 0.00 0.00 176.95 172.66 3bjm n SER 630 N 2.61 0.00 0.20 5.86 2.88 -0.43 -1.02 113.62 123.72 3bjm n SER 630 Ca -0.16 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.41 3bjm n SER 630 Cb 0.51 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.40 3bjm n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3bjm h TYR 631 N 0.00 0.01 -0.03 0.66 5.03 -1.87 -0.94 116.97 119.84 3bjm h TYR 631 Ca 0.00 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 3bjm h TYR 631 Cb 0.00 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 3bjm h TYR 631 CO 0.00 0.29 -0.52 0.78 -1.32 0.00 0.00 178.16 177.38 3bjm h GLY 632 N 0.83 0.08 1.46 1.82 0.00 -1.09 -0.53 103.07 105.63 3bjm h GLY 632 Ca -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 3bjm h GLY 632 CO 0.04 0.07 -0.39 -1.33 0.00 0.00 0.00 176.54 174.93 3bjm h GLY 633 N 1.51 0.65 0.97 4.60 0.00 -1.24 0.78 103.07 110.35 3bjm h GLY 633 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 3bjm h GLY 633 CO 0.07 0.58 -0.32 -1.82 0.00 0.00 0.00 176.54 175.05 3bjm h TYR 634 N 0.50 0.84 -0.34 5.60 3.20 -0.95 -2.40 116.97 123.42 3bjm h TYR 634 Ca 0.05 -0.27 -0.15 0.00 3.14 0.00 0.00 58.73 61.49 3bjm h TYR 634 Cb 0.89 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 3bjm h TYR 634 CO 0.04 1.02 -0.39 0.28 -1.64 0.00 0.00 178.16 177.46 3bjm h VAL 635 N 0.42 1.28 -0.73 1.81 2.07 -0.99 -1.39 116.25 118.73 3bjm h VAL 635 Ca 0.03 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.09 3bjm h VAL 635 Cb 0.90 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 3bjm h VAL 635 CO 0.08 0.52 0.35 0.74 0.02 0.00 0.00 177.57 179.28 3bjm h THR 636 N 0.65 0.81 -0.14 2.57 2.02 -0.85 0.86 112.91 118.82 3bjm h THR 636 Ca 0.05 -0.20 -0.23 0.00 0.77 0.00 0.00 66.41 66.80 3bjm h THR 636 Cb 0.99 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3bjm h THR 636 CO 0.09 0.11 -0.80 0.28 0.37 0.00 0.00 175.52 175.57 3bjm h SER 637 N 0.58 0.95 -0.86 4.18 0.02 -1.20 -0.60 113.55 116.61 3bjm h SER 637 Ca 0.37 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3bjm h SER 637 Cb 0.43 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3bjm h SER 637 CO -0.30 1.43 0.57 0.24 -1.14 0.00 0.00 176.83 177.64 3bjm h MET 638 N 0.53 1.13 -0.16 3.45 2.86 -0.96 0.11 114.93 121.88 3bjm h MET 638 Ca -0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3bjm h MET 638 Cb 1.43 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3bjm h MET 638 CO 0.16 0.75 0.06 0.28 1.06 0.00 0.00 176.91 179.22 3bjm h VAL 639 N 1.16 1.17 0.00 -2.22 2.07 -0.68 -2.50 116.25 115.26 3bjm h VAL 639 Ca 0.32 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3bjm h VAL 639 Cb -0.13 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3bjm h VAL 639 CO -0.07 0.16 -0.17 -0.07 0.02 0.00 0.00 177.57 177.44 3bjm h LEU 640 N 0.10 0.00 -1.26 2.57 3.38 -0.76 -2.27 115.31 117.06 3bjm h LEU 640 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3bjm h LEU 640 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3bjm h LEU 640 CO -0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 3bjm n GLY 641 N -0.75 0.57 0.13 0.83 0.00 0.33 -4.10 105.19 102.21 3bjm n GLY 641 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3bjm n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bjm n SER 642 N 0.49 0.79 -1.72 1.61 3.41 -0.85 -4.66 113.62 112.67 3bjm n SER 642 Ca 0.13 -0.60 -0.17 0.00 -0.26 0.00 0.00 58.87 57.97 3bjm n SER 642 Cb 0.31 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3bjm n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bjm n GLY 643 N 1.41 0.36 0.13 5.00 0.00 -1.26 -4.88 105.19 105.95 3bjm n GLY 643 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 3bjm n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bjm h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.47 113.55 114.44 3bjm h SER 644 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3bjm h SER 644 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3bjm h SER 644 CO 0.49 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3bjm n GLY 645 N 0.87 0.84 0.12 -0.77 0.00 -1.26 -4.90 105.19 100.09 3bjm n GLY 645 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3bjm n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3bjm h VAL 646 N 0.00 0.98 -3.49 1.61 2.07 -1.95 -3.46 116.25 112.01 3bjm h VAL 646 Ca 0.00 -2.40 -0.66 0.00 0.82 0.00 0.00 66.70 64.45 3bjm h VAL 646 Cb 0.00 2.47 -0.25 0.00 -1.52 0.00 0.00 31.29 31.99 3bjm h VAL 646 CO 0.00 0.56 -0.76 -0.36 0.02 0.00 0.00 177.57 177.03 3bjm s PHE 647 N -2.92 2.81 -0.01 1.57 0.40 -1.26 -4.60 117.98 113.97 3bjm s PHE 647 Ca 0.03 -0.48 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 3bjm s PHE 647 Cb 0.08 -1.80 -0.34 0.00 0.51 0.00 0.00 43.02 41.48 3bjm s PHE 647 CO 0.76 -0.09 0.90 -0.22 0.70 0.00 0.00 175.22 177.27 3bjm h LYS 648 N 6.34 0.44 -3.39 0.44 3.64 -1.58 -3.45 116.57 119.01 3bjm h LYS 648 Ca -0.31 -0.75 -0.02 0.00 -1.27 0.00 0.00 60.65 58.29 3bjm h LYS 648 Cb 1.20 0.28 -0.09 0.00 -0.41 0.00 0.00 32.23 33.21 3bjm h LYS 648 CO 0.55 1.36 0.01 0.00 -2.27 0.00 0.00 179.45 179.09 3bjm s GLY 650 N -2.95 -0.51 -0.10 0.00 0.00 -0.59 -2.14 107.32 101.03 3bjm s GLY 650 Ca 0.15 0.89 0.03 0.00 0.00 0.00 0.00 44.72 45.79 3bjm s GLY 650 CO 0.05 0.32 -0.18 -0.42 0.00 0.00 0.00 173.10 172.87 3bjm s ILE 651 N -3.21 1.63 -0.19 0.90 1.01 0.06 -1.59 121.20 119.80 3bjm s ILE 651 Ca 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3bjm s ILE 651 Cb -0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3bjm s ILE 651 CO -0.09 0.46 -0.06 0.00 0.00 0.00 0.00 174.94 175.25 3bjm s ALA 652 N 0.69 2.81 -0.12 9.38 0.00 -0.36 -1.91 121.76 132.24 3bjm s ALA 652 Ca -0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3bjm s ALA 652 Cb -0.16 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 3bjm s ALA 652 CO 0.03 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 175.60 3bjm s VAL 653 N 1.07 3.54 -1.14 0.00 1.01 -0.56 -1.46 120.40 122.85 3bjm s VAL 653 Ca 0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 3bjm s VAL 653 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3bjm s VAL 653 CO -0.00 0.53 0.32 0.00 0.00 0.00 0.00 175.10 175.95 3bjm n ALA 654 N 3.18 -2.13 -1.77 5.51 0.00 0.51 -1.31 120.51 124.51 3bjm n ALA 654 Ca -0.18 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 3bjm n ALA 654 Cb 0.53 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3bjm n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bjm s PRO 655 N -6.92 3.49 0.29 0.00 0.04 -1.26 -2.99 135.00 127.65 3bjm s PRO 655 Ca 0.23 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3bjm s PRO 655 Cb -0.13 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3bjm s PRO 655 CO 0.83 -0.71 1.00 0.08 0.04 0.00 0.00 177.00 178.23 3bjm s VAL 656 N -1.90 3.89 0.00 -0.36 1.01 -1.19 -4.50 120.40 117.35 3bjm s VAL 656 Ca 0.70 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.45 3bjm s VAL 656 Cb -0.21 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3bjm s VAL 656 CO 0.25 0.32 0.00 -1.54 0.00 0.00 0.00 175.10 174.13 3bjm n SER 657 N 1.00 4.29 -3.64 3.32 3.41 -1.26 -4.12 113.62 116.62 3bjm n SER 657 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3bjm n SER 657 Cb 0.47 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.20 3bjm n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bjm s ARG 658 N -1.72 0.67 0.47 4.33 3.52 -1.26 -0.71 118.95 124.24 3bjm s ARG 658 Ca 0.00 1.26 0.26 0.00 -0.13 0.00 0.00 55.73 57.12 3bjm s ARG 658 Cb 0.00 0.32 1.08 0.00 -1.56 0.00 0.00 34.95 34.79 3bjm s ARG 658 CO 0.00 -0.16 1.90 -1.49 -0.81 0.00 0.00 175.30 174.74 3bjm h TRP 659 N 7.21 0.00 0.00 5.12 4.06 -1.87 -0.59 115.95 129.89 3bjm h TRP 659 Ca -0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 3bjm h TRP 659 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3bjm h TRP 659 CO 0.08 0.19 -0.00 0.93 -3.56 0.00 0.00 178.44 176.07 3bjm h GLU 660 N 0.00 0.00 0.00 0.49 3.07 -1.90 -2.42 114.58 113.82 3bjm h GLU 660 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3bjm h GLU 660 Cb 0.64 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3bjm h GLU 660 CO 0.02 0.00 -0.35 1.88 -1.40 0.00 0.00 179.01 179.17 3bjm h TYR 661 N 0.00 0.00 -2.47 4.33 0.05 -1.47 -3.26 116.97 114.15 3bjm h TYR 661 Ca -0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 3bjm h TYR 661 Cb 0.03 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.82 3bjm h TYR 661 CO 0.00 0.28 -0.02 -0.47 -1.05 0.00 0.00 178.16 176.90 3bjm s TYR 662 N -3.08 2.72 0.70 4.88 5.04 -0.91 -4.82 117.35 121.89 3bjm s TYR 662 Ca 0.05 -0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.52 3bjm s TYR 662 Cb 0.07 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.62 3bjm s TYR 662 CO 0.72 -0.96 1.07 0.16 -1.34 0.00 0.00 175.55 175.20 3bjm s ASP 663 N -4.46 5.15 0.11 4.32 1.47 -1.26 -0.99 116.67 121.02 3bjm s ASP 663 Ca 0.58 1.74 -0.15 0.00 1.18 0.00 0.00 52.55 55.90 3bjm s ASP 663 Cb -0.10 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 39.92 3bjm s ASP 663 CO 0.39 -1.60 1.52 0.77 0.68 0.00 0.00 175.17 176.94 3bjm h SER 664 N -0.60 0.67 -0.55 2.11 4.64 -1.24 -2.45 113.55 116.12 3bjm h SER 664 Ca -0.44 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 60.47 3bjm h SER 664 Cb 1.22 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3bjm h SER 664 CO 0.55 0.87 0.13 0.58 -0.87 0.00 0.00 176.83 178.08 3bjm h VAL 665 N 0.47 1.25 0.01 0.95 2.07 -1.93 0.83 116.25 119.89 3bjm h VAL 665 Ca 0.09 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3bjm h VAL 665 Cb 0.56 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3bjm h VAL 665 CO 0.03 0.33 -0.15 0.22 0.02 0.00 0.00 177.57 178.01 3bjm h TYR 666 N 0.79 0.13 0.02 1.57 5.03 -1.92 -3.21 116.97 119.38 3bjm h TYR 666 Ca 0.17 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 3bjm h TYR 666 Cb 0.35 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.62 3bjm h TYR 666 CO 0.02 0.94 -0.01 1.15 -1.32 0.00 0.00 178.16 178.95 3bjm h THR 667 N -0.71 1.20 0.00 1.81 2.02 -1.40 -2.94 112.91 112.89 3bjm h THR 667 Ca -0.02 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 3bjm h THR 667 Cb 0.99 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3bjm h THR 667 CO 0.03 0.17 -0.20 -0.33 0.37 0.00 0.00 175.52 175.56 3bjm h GLU 668 N -0.31 0.00 -0.83 6.66 5.08 -1.01 0.19 114.58 124.37 3bjm h GLU 668 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3bjm h GLU 668 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3bjm h GLU 668 CO 0.00 0.20 0.54 -0.09 -1.00 0.00 0.00 179.01 178.66 3bjm h ARG 669 N 0.00 0.64 0.00 2.33 2.43 -1.52 -0.93 114.38 117.34 3bjm h ARG 669 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3bjm h ARG 669 Cb 0.41 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3bjm h ARG 669 CO 0.03 0.42 -1.61 0.66 -1.51 0.00 0.00 179.97 177.96 3bjm n TYR 670 N -4.52 0.00 0.10 2.20 4.01 -0.55 -4.65 117.16 113.75 3bjm n TYR 670 Ca 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 3bjm n TYR 670 Cb 0.42 -0.32 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3bjm n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3bjm n MET 671 N -1.98 2.62 0.00 -0.72 2.81 0.57 0.13 117.12 120.55 3bjm n MET 671 Ca -0.03 -0.34 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 3bjm n MET 671 Cb 0.37 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 3bjm n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bjm n GLY 672 N 0.57 -0.20 3.87 3.03 0.00 -0.37 -4.65 105.19 107.44 3bjm n GLY 672 Ca 0.01 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 3bjm n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bjm s LEU 673 N 0.00 4.26 -0.15 0.99 1.43 -1.26 -4.35 118.68 119.60 3bjm s LEU 673 Ca 0.00 0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3bjm s LEU 673 Cb 0.00 -3.36 -0.20 0.00 0.03 0.00 0.00 46.19 42.65 3bjm s LEU 673 CO 0.00 0.04 3.45 -0.81 0.23 0.00 0.00 176.35 179.26 3bjm n PRO 674 N 0.32 2.16 -4.15 1.29 -0.04 -1.26 -2.01 135.00 131.30 3bjm n PRO 674 Ca -0.03 -1.29 -0.26 0.00 -0.04 0.00 0.00 63.50 61.87 3bjm n PRO 674 Cb 0.52 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 3bjm n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3bjm s THR 675 N 0.48 4.05 0.46 0.52 -4.23 -1.26 -4.58 115.64 111.08 3bjm s THR 675 Ca 0.66 -1.28 0.16 0.00 -1.18 0.00 0.00 61.69 60.04 3bjm s THR 675 Cb 0.32 -3.05 0.33 0.00 1.34 0.00 0.00 72.50 71.44 3bjm s THR 675 CO -0.04 -0.11 2.01 -0.65 -0.54 0.00 0.00 174.62 175.28 3bjm h PRO 676 N 2.56 0.28 -0.00 3.99 0.11 -1.96 0.85 132.00 137.83 3bjm h PRO 676 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bjm h PRO 676 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bjm h PRO 676 CO 0.60 0.19 -0.07 -0.85 -0.21 0.00 0.00 178.00 177.66 3bjm n GLU 677 N -4.46 0.25 0.00 1.05 0.28 -1.26 -4.72 120.64 111.79 3bjm n GLU 677 Ca 0.08 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3bjm n GLU 677 Cb 0.37 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.74 3bjm n GLU 677 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3bjm n ASP 678 N -1.34 0.00 -1.05 -1.84 -0.08 0.25 -5.03 116.55 107.45 3bjm n ASP 678 Ca 0.10 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.41 3bjm n ASP 678 Cb 0.30 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.79 3bjm n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3bjm n ASN 679 N 0.00 0.74 -0.35 1.67 4.05 -0.85 -4.88 115.26 115.64 3bjm n ASN 679 Ca 0.00 -2.15 0.04 0.00 0.45 0.00 0.00 54.58 52.93 3bjm n ASN 679 Cb 0.00 -0.28 0.21 0.00 1.23 0.00 0.00 39.78 40.94 3bjm n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3bjm h LEU 680 N 0.62 0.97 -0.68 1.20 5.85 -1.54 -2.69 115.31 119.03 3bjm h LEU 680 Ca -0.13 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3bjm h LEU 680 Cb 1.64 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.42 3bjm h LEU 680 CO 0.06 0.59 0.34 0.44 -0.34 0.00 0.00 178.44 179.53 3bjm h ASP 681 N 1.08 0.45 1.01 1.25 3.32 -1.90 -1.14 116.42 120.50 3bjm h ASP 681 Ca 0.44 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 3bjm h ASP 681 Cb 0.28 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3bjm h ASP 681 CO -0.19 0.27 -0.77 -0.74 -1.72 0.00 0.00 179.24 176.09 3bjm h HIS 682 N 0.59 0.00 -0.49 4.55 2.76 -1.84 -1.83 115.15 118.89 3bjm h HIS 682 Ca 0.33 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.59 3bjm h HIS 682 Cb 0.33 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.21 3bjm h HIS 682 CO -0.11 0.77 0.04 1.88 -1.30 0.00 0.00 177.93 179.21 3bjm h TYR 683 N 0.00 0.04 0.00 5.26 -1.99 -1.12 -1.93 116.97 117.24 3bjm h TYR 683 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3bjm h TYR 683 Cb 1.48 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.27 3bjm h TYR 683 CO 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 178.16 178.09 3bjm h ARG 684 N 0.16 0.00 0.00 4.88 2.47 -1.08 -3.16 114.38 117.65 3bjm h ARG 684 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3bjm h ARG 684 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3bjm h ARG 684 CO -0.38 0.00 -0.71 -1.71 0.56 0.00 0.00 179.97 177.73 3bjm n ASN 685 N -2.92 0.70 -1.08 7.04 5.15 -0.70 -4.37 115.26 119.08 3bjm n ASN 685 Ca 0.03 -0.55 -0.03 0.00 -0.60 0.00 0.00 54.58 53.44 3bjm n ASN 685 Cb 0.45 0.56 0.20 0.00 -0.53 0.00 0.00 39.78 40.45 3bjm n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3bjm n SER 686 N -1.51 2.33 -4.90 1.20 3.41 -0.76 -5.01 113.62 108.39 3bjm n SER 686 Ca 0.05 -3.82 -0.29 0.00 -0.26 0.00 0.00 58.87 54.54 3bjm n SER 686 Cb 0.33 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 3bjm n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3bjm s THR 687 N -3.27 5.04 0.13 6.66 -4.23 -1.26 -4.79 115.64 113.92 3bjm s THR 687 Ca 0.44 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3bjm s THR 687 Cb 0.40 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 3bjm s THR 687 CO -0.02 -0.23 1.49 0.58 -0.54 0.00 0.00 174.62 175.91 3bjm h VAL 688 N 1.56 1.28 -0.90 2.29 2.07 -1.26 -3.31 116.25 117.98 3bjm h VAL 688 Ca -0.47 -1.41 0.16 0.00 0.82 0.00 0.00 66.70 65.80 3bjm h VAL 688 Cb 1.18 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 3bjm h VAL 688 CO 0.68 0.47 0.58 0.24 0.02 0.00 0.00 177.57 179.55 3bjm h MET 689 N 0.67 0.62 0.00 1.57 2.86 -1.91 -0.36 114.93 118.36 3bjm h MET 689 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3bjm h MET 689 Cb 0.82 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3bjm h MET 689 CO 0.07 0.41 0.00 -1.13 1.06 0.00 0.00 176.91 177.32 3bjm n SER 690 N -4.57 0.00 -0.80 1.22 3.41 -1.25 -2.32 113.62 109.32 3bjm n SER 690 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.87 3bjm n SER 690 Cb 0.52 -0.26 0.18 0.00 -0.26 0.00 0.00 64.21 64.39 3bjm n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bjm n ARG 691 N -1.26 2.49 -0.33 4.33 1.74 -0.15 -4.75 116.66 118.73 3bjm n ARG 691 Ca 0.08 -2.07 0.13 0.00 -0.77 0.00 0.00 57.85 55.23 3bjm n ARG 691 Cb 0.13 -1.34 0.32 0.00 -1.02 0.00 0.00 32.46 30.54 3bjm n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bjm h ALA 692 N 2.72 1.58 -0.93 7.54 0.00 -1.56 -1.28 119.26 127.33 3bjm h ALA 692 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3bjm h ALA 692 Cb 0.77 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3bjm h ALA 692 CO 0.00 -0.19 0.59 0.93 0.00 0.00 0.00 179.25 180.58 3bjm h GLU 693 N 0.60 0.79 0.00 0.00 4.39 -1.87 -1.52 114.58 116.96 3bjm h GLU 693 Ca 0.57 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.23 3bjm h GLU 693 Cb 0.99 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3bjm h GLU 693 CO -0.44 0.52 0.00 -0.91 -1.16 0.00 0.00 179.01 177.02 3bjm h ASN 694 N 0.81 0.00 0.33 1.42 2.35 -1.50 -2.93 115.58 116.07 3bjm h ASN 694 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3bjm h ASN 694 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3bjm h ASN 694 CO -0.23 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.04 3bjm n PHE 695 N -2.62 0.30 1.07 1.19 3.01 -0.57 -2.17 117.46 117.67 3bjm n PHE 695 Ca 0.02 0.14 0.10 0.00 1.01 0.00 0.00 57.45 58.72 3bjm n PHE 695 Cb 0.32 -0.72 0.54 0.00 -0.01 0.00 0.00 39.48 39.61 3bjm n PHE 695 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3bjm n LYS 696 N -1.79 0.45 0.00 -1.08 -0.00 -1.11 -2.47 118.16 112.16 3bjm n LYS 696 Ca 0.01 0.05 0.11 0.00 -0.00 0.00 0.00 58.31 58.49 3bjm n LYS 696 Cb 0.11 -1.50 0.05 0.00 -0.00 0.00 0.00 35.03 33.69 3bjm n LYS 696 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3bjm n GLN 697 N -1.14 0.57 -4.21 -1.58 6.02 -0.92 -4.99 117.38 111.13 3bjm n GLN 697 Ca 0.12 -0.44 -0.12 0.00 -0.01 0.00 0.00 57.00 56.55 3bjm n GLN 697 Cb 0.11 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 3bjm n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3bjm s VAL 698 N -2.73 0.45 -0.11 5.09 -7.23 -1.03 -4.95 120.40 109.89 3bjm s VAL 698 Ca 0.15 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.20 3bjm s VAL 698 Cb 0.17 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3bjm s VAL 698 CO 0.69 -0.48 0.42 -1.61 -0.31 0.00 0.00 175.10 173.81 3bjm s GLU 699 N -3.97 4.25 -0.06 4.82 2.02 -0.73 -4.98 118.70 120.05 3bjm s GLU 699 Ca 0.24 0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.61 3bjm s GLU 699 Cb 0.07 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.91 3bjm s GLU 699 CO 0.03 0.27 -0.12 -0.47 0.02 0.00 0.00 175.26 174.99 3bjm s TYR 700 N 0.29 1.39 -0.17 1.61 5.04 -1.26 -1.55 117.35 122.70 3bjm s TYR 700 Ca 0.23 -0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 54.36 3bjm s TYR 700 Cb -0.15 -1.03 -0.00 0.00 0.35 0.00 0.00 41.96 41.13 3bjm s TYR 700 CO 0.09 -0.26 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.74 3bjm s LEU 701 N 0.65 2.53 -0.18 6.97 2.96 -0.62 -0.62 118.68 130.37 3bjm s LEU 701 Ca -0.14 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 3bjm s LEU 701 Cb -0.15 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3bjm s LEU 701 CO 0.03 0.05 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.70 3bjm s LEU 702 N 1.01 2.15 -0.01 -0.68 2.96 -0.09 -1.22 118.68 122.80 3bjm s LEU 702 Ca -0.01 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 3bjm s LEU 702 Cb -0.15 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3bjm s LEU 702 CO -0.03 0.01 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.24 3bjm s ILE 703 N 1.22 1.12 -0.14 6.68 1.01 -0.54 -0.59 121.20 129.97 3bjm s ILE 703 Ca 0.03 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 3bjm s ILE 703 Cb -0.13 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.47 3bjm s ILE 703 CO -0.11 0.31 0.66 -2.28 0.00 0.00 0.00 174.94 173.52 3bjm s HIS 704 N -0.34 -0.67 0.08 3.97 2.46 -0.94 -0.36 115.29 119.49 3bjm s HIS 704 Ca 0.05 1.39 -0.20 0.00 0.47 0.00 0.00 55.06 56.78 3bjm s HIS 704 Cb -0.06 0.32 -0.07 0.00 -0.13 0.00 0.00 32.58 32.65 3bjm s HIS 704 CO -0.00 -0.49 0.58 0.20 -2.47 0.00 0.00 174.74 172.56 3bjm s GLY 705 N -0.51 2.68 0.37 1.59 0.00 -1.26 -1.57 107.32 108.62 3bjm s GLY 705 Ca -0.06 0.05 0.19 0.00 0.00 0.00 0.00 44.72 44.90 3bjm s GLY 705 CO 0.06 0.48 1.71 -0.91 0.00 0.00 0.00 173.10 174.43 3bjm h THR 706 N 3.49 0.86 -0.72 0.90 1.35 -1.40 -2.92 112.91 114.46 3bjm h THR 706 Ca -0.49 -1.57 -0.29 0.00 -0.55 0.00 0.00 66.41 63.50 3bjm h THR 706 Cb 1.21 1.97 -0.17 0.00 -1.73 0.00 0.00 68.15 69.43 3bjm h THR 706 CO 0.64 0.37 0.32 0.00 -0.25 0.00 0.00 175.52 176.60 3bjm n ALA 707 N -2.28 4.75 -1.98 6.62 0.00 -0.83 -4.72 120.51 122.07 3bjm n ALA 707 Ca 0.00 -2.66 -0.42 0.00 0.00 0.00 0.00 53.44 50.36 3bjm n ALA 707 Cb 0.53 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3bjm n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bjm s ASP 708 N -1.45 5.75 0.00 0.00 -1.08 -1.10 -4.30 116.67 114.48 3bjm s ASP 708 Ca 0.53 1.17 0.29 0.00 -0.52 0.00 0.00 52.55 54.02 3bjm s ASP 708 Cb 0.44 -2.53 1.20 0.00 -1.46 0.00 0.00 42.92 40.58 3bjm s ASP 708 CO 0.10 -1.85 1.89 -0.90 0.52 0.00 0.00 175.17 174.93 3bjm n ASP 709 N 10.85 0.08 -0.00 -0.34 5.75 -1.26 -4.06 116.55 127.57 3bjm n ASP 709 Ca 0.23 0.26 -0.00 0.00 -0.01 0.00 0.00 54.79 55.26 3bjm n ASP 709 Cb 0.48 -0.36 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3bjm n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3bjm n ASN 710 N -1.44 0.10 -4.45 -1.12 2.85 -1.26 -4.80 115.26 105.14 3bjm n ASN 710 Ca 0.08 0.02 -0.44 0.00 -0.11 0.00 0.00 54.58 54.14 3bjm n ASN 710 Cb 0.32 -0.44 -0.08 0.00 1.24 0.00 0.00 39.78 40.82 3bjm n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3bjm s VAL 711 N -1.10 5.05 0.38 3.44 1.01 -1.26 -4.84 120.40 123.07 3bjm s VAL 711 Ca -0.01 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 3bjm s VAL 711 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3bjm s VAL 711 CO 0.02 -0.58 1.15 -1.00 0.00 0.00 0.00 175.10 174.69 3bjm s HIS 712 N 2.19 3.18 0.52 5.22 3.76 -1.26 -4.70 115.29 124.21 3bjm s HIS 712 Ca 0.11 1.58 0.25 0.00 -0.15 0.00 0.00 55.06 56.86 3bjm s HIS 712 Cb -0.19 -3.35 1.36 0.00 1.11 0.00 0.00 32.58 31.51 3bjm s HIS 712 CO 0.12 -1.11 1.97 0.35 -0.85 0.00 0.00 174.74 175.21 3bjm h PHE 713 N 2.86 0.07 -0.79 1.40 3.57 -1.78 0.27 116.94 122.53 3bjm h PHE 713 Ca -0.48 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.28 3bjm h PHE 713 Cb 1.23 -0.02 -0.15 0.00 2.79 0.00 0.00 35.95 39.80 3bjm h PHE 713 CO 0.56 0.03 0.16 0.94 -2.23 0.00 0.00 178.31 177.77 3bjm n GLN 714 N -4.38 -0.06 -0.25 1.11 7.27 -1.26 -0.64 117.38 119.17 3bjm n GLN 714 Ca 0.12 1.16 -0.07 0.00 0.07 0.00 0.00 57.00 58.28 3bjm n GLN 714 Cb 0.65 -1.92 0.05 0.00 2.41 0.00 0.00 30.24 31.43 3bjm n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3bjm h GLN 715 N 0.00 1.04 0.05 3.69 4.20 -0.76 -0.02 115.11 123.31 3bjm h GLN 715 Ca 0.55 -0.19 -0.23 0.00 0.06 0.00 0.00 58.65 58.84 3bjm h GLN 715 Cb 1.28 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3bjm h GLN 715 CO -0.70 0.87 -1.04 0.77 -0.67 0.00 0.00 178.83 178.06 3bjm h SER 716 N 1.00 0.32 -0.98 1.46 0.02 -1.23 -2.83 113.55 111.31 3bjm h SER 716 Ca 0.23 -0.30 0.14 0.00 -0.84 0.00 0.00 61.79 61.02 3bjm h SER 716 Cb 0.21 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 3bjm h SER 716 CO -0.02 1.17 0.62 0.00 -1.14 0.00 0.00 176.83 177.46 3bjm h ALA 717 N 0.80 1.61 0.00 3.77 0.00 -0.47 -0.68 119.26 124.30 3bjm h ALA 717 Ca -0.08 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3bjm h ALA 717 Cb 1.73 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3bjm h ALA 717 CO 0.16 0.12 -0.86 1.96 0.00 0.00 0.00 179.25 180.63 3bjm h GLN 718 N 0.89 0.00 -0.10 0.00 1.08 -1.00 -2.89 115.11 113.09 3bjm h GLN 718 Ca 0.50 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 3bjm h GLN 718 Cb 0.61 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3bjm h GLN 718 CO -0.27 0.86 0.02 0.82 -0.95 0.00 0.00 178.83 179.32 3bjm h ILE 719 N 0.00 1.19 -0.30 2.54 2.04 -1.07 -2.48 117.51 119.43 3bjm h ILE 719 Ca -0.01 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 3bjm h ILE 719 Cb 1.63 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 3bjm h ILE 719 CO 0.11 0.17 -0.17 0.77 0.00 0.00 0.00 178.15 179.03 3bjm h SER 720 N -0.04 0.53 -0.71 1.72 4.64 -1.22 -2.11 113.55 116.36 3bjm h SER 720 Ca 0.03 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3bjm h SER 720 Cb 0.25 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3bjm h SER 720 CO 0.00 0.72 0.34 0.50 -0.87 0.00 0.00 176.83 177.52 3bjm h LYS 721 N 0.49 1.02 -0.47 4.77 3.64 -1.45 -0.23 116.57 124.34 3bjm h LYS 721 Ca 0.08 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3bjm h LYS 721 Cb 0.58 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3bjm h LYS 721 CO 0.04 0.80 -0.11 0.00 -2.27 0.00 0.00 179.45 177.91 3bjm h ALA 722 N 1.16 0.92 -0.34 5.00 0.00 -0.96 -1.47 119.26 123.57 3bjm h ALA 722 Ca 0.24 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3bjm h ALA 722 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3bjm h ALA 722 CO -0.03 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.69 3bjm h LEU 723 N 0.77 0.67 0.11 0.00 3.38 -1.04 -2.63 115.31 116.58 3bjm h LEU 723 Ca 0.13 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3bjm h LEU 723 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3bjm h LEU 723 CO 0.04 0.88 -0.23 0.58 0.09 0.00 0.00 178.44 179.80 3bjm h VAL 724 N 0.45 0.48 -0.01 1.22 2.07 -0.96 -1.06 116.25 118.43 3bjm h VAL 724 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3bjm h VAL 724 Cb 0.59 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3bjm h VAL 724 CO 0.04 0.00 0.04 0.44 0.02 0.00 0.00 177.57 178.11 3bjm h ASP 725 N -0.43 0.00 0.06 0.57 3.32 -1.18 -0.33 116.42 118.44 3bjm h ASP 725 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3bjm h ASP 725 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3bjm h ASP 725 CO -0.14 0.00 -0.76 0.52 -1.72 0.00 0.00 179.24 177.14 3bjm n VAL 726 N -3.26 0.00 -1.74 -1.35 0.31 -0.99 -5.00 118.33 106.31 3bjm n VAL 726 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3bjm n VAL 726 Cb 0.11 0.95 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 3bjm n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bjm n GLY 727 N 1.47 0.52 3.54 2.92 0.00 -0.13 -4.98 105.19 108.53 3bjm n GLY 727 Ca 0.06 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 3bjm n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bjm s VAL 728 N -2.00 4.70 0.31 1.61 1.01 -0.53 -5.04 120.40 120.46 3bjm s VAL 728 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 3bjm s VAL 728 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 3bjm s VAL 728 CO 0.00 0.35 0.91 -0.62 0.00 0.00 0.00 175.10 175.74 3bjm s ASP 729 N 1.28 7.29 0.24 3.32 2.15 -1.26 -4.49 116.67 125.20 3bjm s ASP 729 Ca 0.05 1.76 -0.20 0.00 0.43 0.00 0.00 52.55 54.60 3bjm s ASP 729 Cb -0.15 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 3bjm s ASP 729 CO 0.04 -0.05 0.65 0.72 -0.17 0.00 0.00 175.17 176.36 3bjm s PHE 730 N -1.61 -0.19 0.06 -5.34 -0.71 -1.26 -4.77 117.98 104.16 3bjm s PHE 730 Ca 0.49 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.21 3bjm s PHE 730 Cb -0.18 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 3bjm s PHE 730 CO 0.23 -1.10 0.06 -0.65 -1.34 0.00 0.00 175.22 172.42 3bjm s GLN 731 N -3.89 2.86 0.09 1.99 -0.21 0.21 -5.02 119.66 115.68 3bjm s GLN 731 Ca 0.10 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 3bjm s GLN 731 Cb -0.04 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 3bjm s GLN 731 CO 0.02 0.58 0.05 0.00 -2.12 0.00 0.00 175.29 173.82 3bjm s ALA 732 N -1.32 0.47 -0.30 6.09 0.00 -1.26 -0.91 121.76 124.53 3bjm s ALA 732 Ca 0.27 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 3bjm s ALA 732 Cb -0.12 0.52 0.13 0.00 0.00 0.00 0.00 23.12 23.65 3bjm s ALA 732 CO 0.19 -0.44 0.69 1.41 0.00 0.00 0.00 175.76 177.61 3bjm s MET 733 N -3.95 0.55 0.29 0.00 0.00 0.24 -4.89 119.30 111.54 3bjm s MET 733 Ca 0.12 1.37 -0.04 0.00 0.00 0.00 0.00 55.69 57.14 3bjm s MET 733 Cb 0.07 0.81 -0.05 0.00 0.00 0.00 0.00 34.83 35.66 3bjm s MET 733 CO -0.06 -0.19 0.54 1.67 0.00 0.00 0.00 175.02 176.98 3bjm s TRP 734 N 2.81 3.48 -0.23 4.11 -2.14 -1.26 -2.20 118.94 123.51 3bjm s TRP 734 Ca -0.06 0.61 0.01 0.00 2.66 0.00 0.00 56.10 59.33 3bjm s TRP 734 Cb -0.11 -2.08 0.05 0.00 -3.10 0.00 0.00 33.47 28.23 3bjm s TRP 734 CO -0.19 0.18 -0.09 0.71 -2.66 0.00 0.00 176.95 174.90 3bjm s TYR 735 N -2.08 2.64 0.12 1.66 2.02 -0.61 -4.92 117.35 116.18 3bjm s TYR 735 Ca 0.43 -1.84 -0.31 0.00 -0.37 0.00 0.00 57.07 54.99 3bjm s TYR 735 Cb -0.11 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 3bjm s TYR 735 CO 0.30 -0.79 1.29 -0.08 -1.57 0.00 0.00 175.55 174.70 3bjm s THR 736 N 1.32 3.55 0.00 -0.71 -1.32 -1.26 -1.99 115.64 115.22 3bjm s THR 736 Ca -0.05 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 3bjm s THR 736 Cb -0.18 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 3bjm s THR 736 CO -0.07 0.12 0.00 0.47 -2.21 0.00 0.00 174.62 172.93 3bjm n ASP 737 N 3.50 -3.36 -4.80 8.08 8.00 -1.26 -4.90 116.55 121.81 3bjm n ASP 737 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 3bjm n ASP 737 Cb 0.44 -1.92 -0.06 0.00 -0.02 0.00 0.00 41.12 39.56 3bjm n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3bjm s GLU 738 N -0.94 4.34 0.00 -1.24 0.41 -1.09 -4.68 118.70 115.49 3bjm s GLU 738 Ca 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 3bjm s GLU 738 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3bjm s GLU 738 CO 0.00 0.53 0.00 -0.40 -0.49 0.00 0.00 175.26 174.90 3bjm n ASP 739 N 1.30 0.00 0.14 -0.19 5.68 -1.26 -1.96 116.55 120.26 3bjm n ASP 739 Ca -0.06 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.26 3bjm n ASP 739 Cb 0.50 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.88 3bjm n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3bjm h HIS 740 N 0.00 0.20 -0.00 2.11 -0.00 -1.91 -2.35 115.15 113.20 3bjm h HIS 740 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3bjm h HIS 740 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3bjm h HIS 740 CO 0.00 0.35 -0.21 0.41 -0.00 0.00 0.00 177.93 178.48 3bjm n GLY 741 N -0.85 -1.12 4.02 5.26 0.00 -1.26 -4.95 105.19 106.29 3bjm n GLY 741 Ca -0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3bjm n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bjm n ILE 742 N -1.20 -1.99 -0.02 -0.61 5.41 -0.88 -4.81 119.36 115.25 3bjm n ILE 742 Ca 0.10 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.39 3bjm n ILE 742 Cb 0.31 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 3bjm n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bjm n ALA 743 N -4.22 2.20 -1.70 -1.39 0.00 -1.26 -3.62 120.51 110.53 3bjm n ALA 743 Ca -0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3bjm n ALA 743 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 3bjm n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bjm n SER 744 N -0.45 2.68 0.18 0.00 3.41 -1.26 -4.68 113.62 113.50 3bjm n SER 744 Ca 0.00 1.18 0.04 0.00 -0.26 0.00 0.00 58.87 59.84 3bjm n SER 744 Cb 0.00 -1.48 0.47 0.00 -0.26 0.00 0.00 64.21 62.94 3bjm n SER 744 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3bjm h SER 745 N 2.42 0.09 -0.33 4.04 4.64 -1.99 0.20 113.55 122.62 3bjm h SER 745 Ca -0.46 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 3bjm h SER 745 Cb 1.29 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3bjm h SER 745 CO 0.62 0.24 -0.35 0.71 -0.87 0.00 0.00 176.83 177.18 3bjm h THR 746 N 0.10 1.29 -0.34 2.95 1.35 -1.97 -2.08 112.91 114.20 3bjm h THR 746 Ca 0.02 -1.52 -0.15 0.00 -0.55 0.00 0.00 66.41 64.21 3bjm h THR 746 Cb 0.30 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3bjm h THR 746 CO 0.02 0.50 -0.38 0.00 -0.25 0.00 0.00 175.52 175.41 3bjm h ALA 747 N 0.73 0.68 -0.44 6.62 0.00 -1.53 -1.28 119.26 124.05 3bjm h ALA 747 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3bjm h ALA 747 Cb 0.93 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3bjm h ALA 747 CO 0.09 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.34 3bjm h HIS 748 N 0.67 0.76 -0.61 0.00 2.76 -0.64 0.14 115.15 118.22 3bjm h HIS 748 Ca 0.06 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 3bjm h HIS 748 Cb 0.94 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 3bjm h HIS 748 CO 0.05 0.71 0.31 1.96 -1.30 0.00 0.00 177.93 179.67 3bjm h GLN 749 N 0.58 0.87 -0.21 5.26 4.20 -1.34 -3.03 115.11 121.44 3bjm h GLN 749 Ca 0.14 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3bjm h GLN 749 Cb 0.35 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3bjm h GLN 749 CO 0.01 0.68 -0.01 1.25 -0.67 0.00 0.00 178.83 180.09 3bjm h HIS 750 N 0.83 0.42 -0.64 2.96 2.76 -0.38 -1.85 115.15 119.24 3bjm h HIS 750 Ca 0.21 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3bjm h HIS 750 Cb 0.09 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3bjm h HIS 750 CO -0.00 0.58 0.06 0.97 -1.30 0.00 0.00 177.93 178.24 3bjm h ILE 751 N 0.13 1.27 -0.04 6.26 2.10 -0.78 0.11 117.51 126.56 3bjm h ILE 751 Ca 0.06 -1.09 -0.14 0.00 1.08 0.00 0.00 64.86 64.77 3bjm h ILE 751 Cb 0.42 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3bjm h ILE 751 CO 0.01 0.40 -0.59 1.88 -1.08 0.00 0.00 178.15 178.77 3bjm h TYR 752 N 1.01 0.16 -0.49 2.19 0.05 -1.53 0.11 116.97 118.47 3bjm h TYR 752 Ca 0.19 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.79 3bjm h TYR 752 Cb 0.49 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3bjm h TYR 752 CO 0.04 0.69 -0.16 1.15 -1.05 0.00 0.00 178.16 178.83 3bjm h THR 753 N 0.10 1.27 -0.34 -2.88 2.02 -0.92 -0.72 112.91 111.43 3bjm h THR 753 Ca -0.01 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 3bjm h THR 753 Cb 1.07 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3bjm h THR 753 CO 0.09 0.45 -0.07 -0.74 0.37 0.00 0.00 175.52 175.61 3bjm h HIS 754 N 0.84 0.74 -0.24 3.16 -0.00 -0.19 -2.35 115.15 117.11 3bjm h HIS 754 Ca 0.12 -0.16 -0.10 0.00 -0.00 0.00 0.00 60.37 60.24 3bjm h HIS 754 Cb 0.71 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 3bjm h HIS 754 CO 0.04 0.82 -0.28 0.52 -0.00 0.00 0.00 177.93 179.03 3bjm h MET 755 N 0.45 0.47 -0.09 5.26 2.07 -0.76 -2.22 114.93 120.11 3bjm h MET 755 Ca 0.09 -0.19 -0.00 0.00 -2.07 0.00 0.00 59.70 57.53 3bjm h MET 755 Cb 0.57 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.28 3bjm h MET 755 CO 0.03 0.71 0.04 0.77 1.07 0.00 0.00 176.91 179.54 3bjm h SER 756 N 0.41 0.12 -0.61 1.22 0.02 -0.95 -0.60 113.55 113.16 3bjm h SER 756 Ca 0.06 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3bjm h SER 756 Cb 0.71 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 3bjm h SER 756 CO 0.05 0.21 0.29 0.45 -1.14 0.00 0.00 176.83 176.69 3bjm h HIS 757 N 0.02 0.53 -0.32 3.45 3.86 -1.32 -0.59 115.15 120.77 3bjm h HIS 757 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3bjm h HIS 757 Cb 0.12 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3bjm h HIS 757 CO -0.03 0.22 0.16 0.35 0.86 0.00 0.00 177.93 179.49 3bjm h PHE 758 N 0.53 0.45 -0.68 2.45 3.04 -1.07 -1.82 116.94 119.84 3bjm h PHE 758 Ca 0.29 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.14 3bjm h PHE 758 Cb 0.25 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 3bjm h PHE 758 CO -0.12 0.39 0.12 0.82 -2.02 0.00 0.00 178.31 177.50 3bjm h ILE 759 N 0.39 1.26 -0.18 1.41 1.08 -0.89 -1.96 117.51 118.62 3bjm h ILE 759 Ca 0.11 -1.03 -0.10 0.00 -0.39 0.00 0.00 64.86 63.45 3bjm h ILE 759 Cb 0.10 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 3bjm h ILE 759 CO -0.02 0.39 -0.31 0.11 -0.69 0.00 0.00 178.15 177.63 3bjm h LYS 760 N 1.05 0.36 -0.03 2.37 1.57 -0.91 -1.99 116.57 119.00 3bjm h LYS 760 Ca 0.21 -0.14 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 3bjm h LYS 760 Cb 0.43 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3bjm h LYS 760 CO 0.01 0.64 -0.92 -0.56 -0.57 0.00 0.00 179.45 178.04 3bjm h GLN 761 N 0.31 0.53 0.00 3.15 -0.00 -1.21 0.33 115.11 118.22 3bjm h GLN 761 Ca 0.04 -0.54 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 3bjm h GLN 761 Cb 0.71 0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 28.33 3bjm h GLN 761 CO 0.05 1.17 -0.09 0.00 -0.00 0.00 0.00 178.83 179.96 3bjm n PHE 763 N -4.19 0.00 -3.55 0.00 3.72 -0.76 -4.99 117.46 107.68 3bjm n PHE 763 Ca -0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.15 3bjm n PHE 763 Cb 0.17 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.79 3bjm n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3bjm n SER 764 N 0.92 -5.51 -4.34 4.37 7.64 0.20 -4.94 113.62 111.96 3bjm n SER 764 Ca 0.11 -0.55 -0.46 0.00 1.01 0.00 0.00 58.87 58.98 3bjm n SER 764 Cb 0.47 -5.00 -0.03 0.00 -1.01 0.00 0.00 64.21 58.63 3bjm n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bjm s LEU 765 N -7.06 6.28 0.00 -3.43 1.43 0.91 -5.02 118.68 111.79 3bjm s LEU 765 Ca 0.47 -2.23 0.07 0.00 -1.03 0.00 0.00 54.13 51.40 3bjm s LEU 765 Cb -0.21 -2.24 0.39 0.00 0.03 0.00 0.00 46.19 44.16 3bjm s LEU 765 CO 0.72 -0.76 0.85 -2.65 0.23 0.00 0.00 176.35 174.74