#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjm s ARG 40 N 0.00 3.84 0.78 1.43 0.52 -1.26 -4.99 118.95 119.27 3bjm s ARG 40 Ca 0.00 2.45 -0.11 0.00 -0.52 0.00 0.00 55.73 57.55 3bjm s ARG 40 Cb 0.00 -2.76 0.06 0.00 0.52 0.00 0.00 34.95 32.77 3bjm s ARG 40 CO 0.00 -0.70 1.08 -1.59 0.02 0.00 0.00 175.30 174.11 3bjm s LYS 41 N -2.32 2.20 0.60 3.54 -2.85 -1.20 -4.71 119.74 115.00 3bjm s LYS 41 Ca 0.58 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.45 3bjm s LYS 41 Cb -0.44 -1.91 0.06 0.00 -2.06 0.00 0.00 37.83 33.47 3bjm s LYS 41 CO 0.58 -1.60 0.84 -0.08 0.10 0.00 0.00 175.35 175.19 3bjm s THR 42 N -3.02 2.52 -0.50 3.79 -1.32 -1.26 -0.77 115.64 115.08 3bjm s THR 42 Ca 0.61 -0.62 -0.22 0.00 -1.21 0.00 0.00 61.69 60.25 3bjm s THR 42 Cb -0.16 -2.90 0.04 0.00 -1.51 0.00 0.00 72.50 67.98 3bjm s THR 42 CO 0.55 0.00 0.75 -0.47 -2.21 0.00 0.00 174.62 173.25 3bjm s TYR 43 N -2.88 2.96 0.49 9.09 5.04 -1.26 -4.83 117.35 125.96 3bjm s TYR 43 Ca 0.59 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 55.00 3bjm s TYR 43 Cb -0.09 -3.70 -0.01 0.00 0.35 0.00 0.00 41.96 38.51 3bjm s TYR 43 CO 0.40 -1.11 0.74 0.95 -1.34 0.00 0.00 175.55 175.19 3bjm s THR 44 N 3.19 4.06 0.22 4.34 -4.23 -1.26 -4.24 115.64 117.71 3bjm s THR 44 Ca 0.23 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 3bjm s THR 44 Cb -0.15 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.31 3bjm s THR 44 CO 0.17 -0.44 1.76 0.25 -0.54 0.00 0.00 174.62 175.81 3bjm h LEU 45 N 0.23 0.31 -1.20 4.79 5.85 -1.96 -1.12 115.31 122.22 3bjm h LEU 45 Ca -0.46 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3bjm h LEU 45 Cb 1.25 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 3bjm h LEU 45 CO 0.59 0.18 0.55 0.74 -0.34 0.00 0.00 178.44 180.16 3bjm h THR 46 N 0.48 1.19 -0.93 1.05 2.02 -1.98 0.10 112.91 114.84 3bjm h THR 46 Ca 0.33 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3bjm h THR 46 Cb 0.38 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 3bjm h THR 46 CO -0.30 0.20 0.57 0.44 0.37 0.00 0.00 175.52 176.81 3bjm h ASP 47 N 1.09 1.11 -0.21 4.18 3.32 -1.59 0.17 116.42 124.49 3bjm h ASP 47 Ca 0.31 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3bjm h ASP 47 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3bjm h ASP 47 CO -0.08 0.84 -0.02 0.22 -1.72 0.00 0.00 179.24 178.49 3bjm h TYR 48 N 1.28 0.43 -0.34 4.55 3.20 -0.70 -0.18 116.97 125.20 3bjm h TYR 48 Ca 0.34 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 3bjm h TYR 48 Cb -0.07 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3bjm h TYR 48 CO 0.00 0.60 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.72 3bjm h LEU 49 N 0.14 0.80 -1.76 2.82 4.07 -0.32 -3.09 115.31 117.96 3bjm h LEU 49 Ca 0.06 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.68 3bjm h LEU 49 Cb 0.44 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3bjm h LEU 49 CO 0.01 1.06 -0.08 0.29 -1.08 0.00 0.00 178.44 178.65 3bjm n LYS 50 N -4.07 2.09 -3.03 1.13 5.02 0.55 -4.98 118.16 114.88 3bjm n LYS 50 Ca -0.01 -1.75 -0.14 0.00 -2.02 0.00 0.00 58.31 54.39 3bjm n LYS 50 Cb 0.50 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 3bjm n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3bjm n ASN 51 N 1.10 -4.56 -0.32 4.39 5.15 -0.15 -4.90 115.26 115.97 3bjm n ASN 51 Ca 0.13 -0.28 0.10 0.00 -0.60 0.00 0.00 54.58 53.93 3bjm n ASN 51 Cb 0.57 -3.23 0.27 0.00 -0.53 0.00 0.00 39.78 36.86 3bjm n ASN 51 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 3bjm h THR 52 N -1.41 0.72 -3.54 -0.44 2.02 -1.64 -3.35 112.91 105.27 3bjm h THR 52 Ca -0.34 -0.24 -0.70 0.00 0.77 0.00 0.00 66.41 65.90 3bjm h THR 52 Cb 1.22 -0.04 -0.30 0.00 -1.74 0.00 0.00 68.15 67.30 3bjm h THR 52 CO 0.34 0.13 -0.53 -0.31 0.37 0.00 0.00 175.52 175.51 3bjm s TYR 53 N -5.92 3.35 -0.16 3.16 2.02 -1.26 -5.09 117.35 113.45 3bjm s TYR 53 Ca -0.12 -1.67 -0.08 0.00 -0.37 0.00 0.00 57.07 54.83 3bjm s TYR 53 Cb 0.23 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3bjm s TYR 53 CO 0.79 -0.84 0.12 1.03 -1.57 0.00 0.00 175.55 175.08 3bjm s ARG 54 N 1.36 3.83 0.00 -0.62 0.52 -1.26 -5.06 118.95 117.73 3bjm s ARG 54 Ca 0.02 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3bjm s ARG 54 Cb -0.22 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 3bjm s ARG 54 CO 0.01 0.49 1.21 -0.51 0.02 0.00 0.00 175.30 176.52 3bjm s LEU 55 N -0.19 4.32 0.21 2.53 1.43 -1.26 -4.75 118.68 120.98 3bjm s LEU 55 Ca 0.10 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 3bjm s LEU 55 Cb -0.12 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3bjm s LEU 55 CO 0.01 -0.54 0.83 -0.54 0.23 0.00 0.00 176.35 176.33 3bjm s LYS 56 N 1.71 4.57 0.47 1.70 1.02 -1.26 -5.07 119.74 122.88 3bjm s LYS 56 Ca 0.58 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.84 3bjm s LYS 56 Cb -0.27 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3bjm s LYS 56 CO 0.26 0.49 0.34 -0.51 -0.92 0.00 0.00 175.35 175.00 3bjm s LEU 57 N -1.43 3.05 -0.40 3.17 1.43 -1.26 -4.91 118.68 118.32 3bjm s LEU 57 Ca 0.40 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3bjm s LEU 57 Cb -0.22 -1.55 0.16 0.00 0.03 0.00 0.00 46.19 44.61 3bjm s LEU 57 CO 0.26 -0.81 0.35 -0.47 0.23 0.00 0.00 176.35 175.91 3bjm s TYR 58 N -2.63 0.62 -0.39 0.29 6.14 -1.26 -4.97 117.35 115.15 3bjm s TYR 58 Ca 0.41 -1.86 -0.23 0.00 0.64 0.00 0.00 57.07 56.03 3bjm s TYR 58 Cb -0.01 -0.75 0.01 0.00 0.42 0.00 0.00 41.96 41.63 3bjm s TYR 58 CO 0.24 -0.88 0.79 -1.12 0.64 0.00 0.00 175.55 175.21 3bjm s SER 59 N 0.51 6.50 0.24 4.32 0.01 -1.26 -5.04 113.70 118.98 3bjm s SER 59 Ca 0.28 0.20 0.12 0.00 1.31 0.00 0.00 55.95 57.85 3bjm s SER 59 Cb -0.05 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 3bjm s SER 59 CO -0.12 -0.80 -0.21 -1.48 0.41 0.00 0.00 173.24 171.04 3bjm s LEU 60 N 3.17 2.54 -0.22 2.44 2.34 -1.26 -4.50 118.68 123.20 3bjm s LEU 60 Ca 0.31 -0.95 0.01 0.00 0.06 0.00 0.00 54.13 53.56 3bjm s LEU 60 Cb -0.13 -1.15 0.05 0.00 -0.56 0.00 0.00 46.19 44.41 3bjm s LEU 60 CO 0.19 0.07 -0.07 -0.13 -1.06 0.00 0.00 176.35 175.36 3bjm s ARG 61 N -3.15 1.72 0.24 1.48 0.52 -0.56 -4.95 118.95 114.26 3bjm s ARG 61 Ca 0.26 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 3bjm s ARG 61 Cb -0.06 -2.48 -0.10 0.00 0.52 0.00 0.00 34.95 32.83 3bjm s ARG 61 CO 0.13 -0.53 1.50 -1.58 0.02 0.00 0.00 175.30 174.84 3bjm s TRP 62 N 1.42 2.97 0.00 -0.53 0.52 -1.26 -0.49 118.94 121.57 3bjm s TRP 62 Ca -0.04 0.90 0.00 0.00 0.02 0.00 0.00 56.10 56.98 3bjm s TRP 62 Cb -0.18 -3.89 0.00 0.00 -1.15 0.00 0.00 33.47 28.25 3bjm s TRP 62 CO -0.07 -3.01 0.37 1.51 0.02 0.00 0.00 176.95 175.77 3bjm n ILE 63 N 2.61 0.00 -2.24 2.03 0.13 -0.85 -4.91 119.36 116.13 3bjm n ILE 63 Ca 0.08 -0.49 0.00 0.00 -1.10 0.00 0.00 62.75 61.24 3bjm n ILE 63 Cb 0.39 1.01 0.00 0.00 -0.84 0.00 0.00 39.64 40.20 3bjm n ILE 63 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3bjm n SER 64 N -0.26 0.00 0.01 9.51 3.41 -1.20 -4.99 113.62 120.10 3bjm n SER 64 Ca 0.00 -0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3bjm n SER 64 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.44 3bjm n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bjm n ASP 65 N -0.22 0.23 0.00 4.04 5.75 -1.26 -2.63 116.55 122.46 3bjm n ASP 65 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 3bjm n ASP 65 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3bjm n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bjm n HIS 66 N -1.59 0.00 -4.33 2.11 1.44 -1.26 -4.35 115.22 107.24 3bjm n HIS 66 Ca 0.06 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.55 3bjm n HIS 66 Cb 0.35 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 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 1.06 0.09 -1.40 2.02 -1.26 -0.35 118.70 118.87 3bjm s GLU 67 Ca 0.00 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.01 3bjm s GLU 67 Cb 0.00 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 3bjm s GLU 67 CO 0.00 0.28 -0.08 1.52 0.02 0.00 0.00 175.26 177.01 3bjm s TYR 68 N -1.08 0.92 -0.06 1.61 -0.85 -0.62 -2.00 117.35 115.28 3bjm s TYR 68 Ca 0.04 -0.80 -0.08 0.00 -0.52 0.00 0.00 57.07 55.71 3bjm s TYR 68 Cb -0.09 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.68 3bjm s TYR 68 CO 0.03 -0.09 0.22 -0.51 -1.52 0.00 0.00 175.55 173.68 3bjm s LEU 69 N -2.75 4.40 -0.02 -3.49 1.43 0.36 -0.24 118.68 118.37 3bjm s LEU 69 Ca 0.08 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3bjm s LEU 69 Cb 0.01 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.90 3bjm s LEU 69 CO -0.03 0.34 0.03 -0.47 0.23 0.00 0.00 176.35 176.46 3bjm s TYR 70 N -1.13 0.00 -0.20 0.29 5.04 -0.18 -1.49 117.35 119.68 3bjm s TYR 70 Ca 0.21 0.12 -0.17 0.00 -2.44 0.00 0.00 57.07 54.78 3bjm s TYR 70 Cb -0.13 -0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.00 3bjm s TYR 70 CO 0.10 -0.06 0.46 0.21 -1.34 0.00 0.00 175.55 174.91 3bjm s LYS 71 N 0.69 4.17 -0.14 4.97 2.20 -1.26 -0.34 119.74 130.04 3bjm s LYS 71 Ca -0.06 0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.83 3bjm s LYS 71 Cb -0.08 -3.56 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 3bjm s LYS 71 CO -0.02 -0.11 0.05 -1.14 -0.36 0.00 0.00 175.35 173.77 3bjm s GLN 72 N 1.52 0.34 -1.42 4.03 0.74 0.20 -4.79 119.66 120.28 3bjm s GLN 72 Ca 0.22 -0.08 -0.05 0.00 0.05 0.00 0.00 55.36 55.50 3bjm s GLN 72 Cb -0.15 -1.53 0.03 0.00 1.10 0.00 0.00 33.01 32.46 3bjm s GLN 72 CO 0.09 -0.53 0.68 0.39 -0.55 0.00 0.00 175.29 175.37 3bjm n GLU 73 N 5.18 -4.40 -0.76 1.67 1.02 -1.26 -0.31 120.64 121.78 3bjm n GLU 73 Ca -0.07 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3bjm n GLU 73 Cb 0.49 -5.04 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 3bjm n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bjm n ASN 74 N -2.95 -3.52 -4.79 1.62 4.13 -1.26 -4.76 115.26 103.72 3bjm n ASN 74 Ca -0.20 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.67 3bjm n ASN 74 Cb 0.63 -2.93 -0.06 0.00 -1.54 0.00 0.00 39.78 35.88 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 -1.86 7.11 -0.36 6.41 0.01 0.57 -3.81 114.94 123.01 3bjm s ASN 75 Ca 0.00 1.31 -0.14 0.00 -0.71 0.00 0.00 52.86 53.32 3bjm s ASN 75 Cb 0.00 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 3bjm s ASN 75 CO 0.00 0.21 0.28 -0.63 -1.51 0.00 0.00 177.10 175.45 3bjm s ILE 76 N -0.84 5.26 0.05 0.60 1.01 0.13 0.63 121.20 128.04 3bjm s ILE 76 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3bjm s ILE 76 Cb -0.20 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3bjm s ILE 76 CO 0.20 -0.11 0.10 -0.76 0.00 0.00 0.00 174.94 174.36 3bjm s LEU 77 N 1.76 3.89 -0.16 2.97 1.43 0.53 0.52 118.68 129.64 3bjm s LEU 77 Ca 0.07 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3bjm s LEU 77 Cb -0.18 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3bjm s LEU 77 CO 0.11 0.20 0.04 -0.69 0.23 0.00 0.00 176.35 176.23 3bjm s VAL 78 N -1.35 4.59 -0.03 -1.59 1.01 0.05 -1.01 120.40 122.07 3bjm s VAL 78 Ca 0.28 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3bjm s VAL 78 Cb -0.12 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3bjm s VAL 78 CO 0.21 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.28 3bjm s PHE 79 N 0.06 2.63 -0.26 5.22 0.40 0.66 -1.48 117.98 125.22 3bjm s PHE 79 Ca 0.04 -0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 3bjm s PHE 79 Cb -0.12 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 3bjm s PHE 79 CO 0.01 0.17 0.29 1.21 0.70 0.00 0.00 175.22 177.60 3bjm s ASN 80 N -0.87 6.19 0.08 1.36 3.84 -0.44 -1.58 114.94 123.52 3bjm s ASN 80 Ca 0.12 0.21 -0.17 0.00 0.21 0.00 0.00 52.86 53.23 3bjm s ASN 80 Cb -0.11 -2.17 -0.10 0.00 -0.55 0.00 0.00 41.25 38.33 3bjm s ASN 80 CO 0.01 -0.08 1.42 0.00 -2.79 0.00 0.00 177.10 175.66 3bjm h ALA 81 N 7.96 0.36 -0.76 1.71 0.00 -1.02 0.68 119.26 128.18 3bjm h ALA 81 Ca -0.34 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 3bjm h ALA 81 Cb 1.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3bjm h ALA 81 CO 0.63 0.28 0.26 1.49 0.00 0.00 0.00 179.25 181.91 3bjm h GLU 82 N 0.28 1.17 0.00 0.00 4.57 -1.95 -3.33 114.58 115.33 3bjm h GLU 82 Ca 0.05 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3bjm h GLU 82 Cb 0.71 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3bjm h GLU 82 CO 0.05 0.98 -1.16 0.66 -1.18 0.00 0.00 179.01 178.36 3bjm n TYR 83 N -4.25 0.00 -0.61 0.92 4.01 -1.21 -5.01 117.16 111.01 3bjm n TYR 83 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3bjm n TYR 83 Cb 0.22 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.91 0.85 3.85 2.72 0.00 0.24 -5.02 105.19 109.73 3bjm n GLY 84 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.01 6.71 0.14 1.61 4.22 -1.24 -4.71 114.94 118.66 3bjm s ASN 85 Ca 0.00 1.44 0.04 0.00 -2.14 0.00 0.00 52.86 52.20 3bjm s ASN 85 Cb 0.00 -2.45 -0.04 0.00 1.28 0.00 0.00 41.25 40.04 3bjm s ASN 85 CO 0.00 -0.41 -0.09 -0.94 -2.04 0.00 0.00 177.10 173.62 3bjm s SER 86 N -2.69 1.64 0.04 3.54 1.04 -1.26 -1.33 113.70 114.68 3bjm s SER 86 Ca 0.57 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3bjm s SER 86 Cb -0.10 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3bjm s SER 86 CO 0.24 -0.37 -0.11 -0.44 0.98 0.00 0.00 173.24 173.54 3bjm s SER 87 N -3.14 1.23 -0.26 7.02 0.01 -0.55 -4.99 113.70 113.02 3bjm s SER 87 Ca 0.16 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 3bjm s SER 87 Cb 0.03 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.24 3bjm s SER 87 CO -0.00 -0.08 1.05 0.54 0.41 0.00 0.00 173.24 175.15 3bjm s VAL 88 N -1.08 4.63 -0.15 3.43 0.11 -1.26 -0.77 120.40 125.31 3bjm s VAL 88 Ca -0.04 1.91 0.01 0.00 -2.93 0.00 0.00 61.98 60.93 3bjm s VAL 88 Cb -0.09 -4.34 -0.23 0.00 -1.53 0.00 0.00 36.38 30.19 3bjm s VAL 88 CO 0.01 -0.28 0.24 0.33 -3.33 0.00 0.00 175.10 172.07 3bjm n PHE 89 N 6.50 0.80 -3.62 1.54 7.35 0.19 -4.83 117.46 125.38 3bjm n PHE 89 Ca 0.12 0.19 -0.23 0.00 -0.76 0.00 0.00 57.45 56.77 3bjm n PHE 89 Cb 0.46 -1.11 -0.17 0.00 0.35 0.00 0.00 39.48 39.01 3bjm n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3bjm s LEU 90 N -6.63 0.22 0.24 -2.13 1.98 -0.50 -4.98 118.68 106.89 3bjm s LEU 90 Ca -0.22 -0.33 -0.30 0.00 -2.89 0.00 0.00 54.13 50.39 3bjm s LEU 90 Cb 0.07 -0.12 -0.09 0.00 0.66 0.00 0.00 46.19 46.71 3bjm s LEU 90 CO 0.74 -0.31 1.26 -1.61 -1.89 0.00 0.00 176.35 174.53 3bjm s GLU 91 N 2.17 4.44 0.07 1.98 8.01 -1.26 -0.69 118.70 133.42 3bjm s GLU 91 Ca 0.03 2.02 0.07 0.00 0.01 0.00 0.00 54.97 57.11 3bjm s GLU 91 Cb -0.15 -3.17 0.36 0.00 -4.31 0.00 0.00 34.13 26.86 3bjm s GLU 91 CO -0.08 -0.13 1.23 0.27 0.01 0.00 0.00 175.26 176.56 3bjm n ASN 92 N 1.96 0.13 0.10 -0.19 0.23 -1.25 -1.11 115.26 115.13 3bjm n ASN 92 Ca 0.03 0.55 0.06 0.00 -0.53 0.00 0.00 54.58 54.70 3bjm n ASN 92 Cb 0.43 -0.57 -0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3bjm n ASN 92 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3bjm h SER 93 N 0.00 0.00 -3.52 0.53 4.64 -1.90 -3.44 113.55 109.87 3bjm h SER 93 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3bjm h SER 93 Cb 0.06 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.25 3bjm h SER 93 CO 0.00 0.28 0.75 0.41 -0.87 0.00 0.00 176.83 177.40 3bjm n THR 94 N -2.89 1.62 -0.98 2.95 -1.04 -0.27 -1.82 114.28 111.84 3bjm n THR 94 Ca -0.03 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3bjm n THR 94 Cb 0.68 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 3bjm n THR 94 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3bjm n PHE 95 N 1.06 0.00 0.11 -1.42 3.72 -1.26 -4.88 117.46 114.78 3bjm n PHE 95 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 3bjm n PHE 95 Cb 0.37 -0.46 0.67 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.00 0.01 -0.26 4.37 5.19 -1.64 -1.53 116.42 122.56 3bjm h ASP 96 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3bjm h ASP 96 Cb 0.20 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3bjm h ASP 96 CO 0.00 0.00 -0.01 1.21 -3.12 0.00 0.00 179.24 177.33 3bjm n GLU 97 N -4.45 2.55 0.20 3.56 2.13 -1.26 -4.71 120.64 118.66 3bjm n GLU 97 Ca 0.04 -2.89 0.04 0.00 0.66 0.00 0.00 57.16 55.02 3bjm n GLU 97 Cb 0.39 -1.81 0.46 0.00 0.27 0.00 0.00 31.44 30.75 3bjm n GLU 97 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3bjm h PHE 98 N 1.46 0.06 0.00 4.31 3.57 -1.66 -3.46 116.94 121.21 3bjm h PHE 98 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3bjm h PHE 98 Cb 1.46 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.18 3bjm h PHE 98 CO 0.56 0.24 0.00 0.41 -2.23 0.00 0.00 178.31 177.30 3bjm n GLY 99 N -0.93 1.41 3.05 2.40 0.00 -1.26 -5.06 105.19 104.81 3bjm n GLY 99 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.18 0.37 0.06 1.61 3.76 -1.26 -5.12 115.29 112.53 3bjm s HIS 100 Ca 0.00 -0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 53.84 3bjm s HIS 100 Cb 0.00 -0.27 -0.06 0.00 1.11 0.00 0.00 32.58 33.36 3bjm s HIS 100 CO 0.00 -0.30 1.27 -1.54 -0.85 0.00 0.00 174.74 173.32 3bjm s SER 101 N -2.20 6.98 -0.34 1.40 1.04 -1.26 -4.97 113.70 114.34 3bjm s SER 101 Ca -0.04 2.10 -0.22 0.00 0.48 0.00 0.00 55.95 58.27 3bjm s SER 101 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3bjm s SER 101 CO -0.06 -0.55 0.72 -0.63 0.98 0.00 0.00 173.24 173.70 3bjm s ILE 102 N 1.29 4.82 0.13 -1.02 1.01 -1.26 -4.52 121.20 121.64 3bjm s ILE 102 Ca 0.61 0.85 0.12 0.00 0.00 0.00 0.00 60.65 62.22 3bjm s ILE 102 Cb -0.31 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3bjm s ILE 102 CO 0.29 -0.32 1.50 -1.13 0.00 0.00 0.00 174.94 175.27 3bjm h ASN 103 N 8.36 0.00 -4.86 3.58 -0.73 -1.04 -3.48 115.58 117.42 3bjm h ASN 103 Ca -0.25 0.00 0.13 0.00 1.87 0.00 0.00 56.30 58.04 3bjm h ASN 103 Cb 1.10 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 39.56 3bjm h ASN 103 CO 0.87 0.68 0.48 -0.62 -0.37 0.00 0.00 177.43 178.47 3bjm s ASP 104 N -6.66 -0.32 0.18 1.15 -1.08 -1.15 -5.01 116.67 103.78 3bjm s ASP 104 Ca 0.01 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 51.94 3bjm s ASP 104 Cb 0.11 0.42 -0.05 0.00 -1.46 0.00 0.00 42.92 41.94 3bjm s ASP 104 CO 0.76 -0.71 -0.00 -0.72 0.52 0.00 0.00 175.17 175.02 3bjm s TYR 105 N -3.19 1.29 -0.21 -5.34 -0.85 -1.26 -0.65 117.35 107.15 3bjm s TYR 105 Ca 0.07 -0.98 -0.07 0.00 -0.52 0.00 0.00 57.07 55.56 3bjm s TYR 105 Cb -0.01 -0.74 0.09 0.00 0.38 0.00 0.00 41.96 41.69 3bjm s TYR 105 CO -0.06 -0.16 0.44 0.45 -1.52 0.00 0.00 175.55 174.70 3bjm s SER 106 N -3.20 -0.33 -0.15 -0.18 0.15 -0.25 -4.96 113.70 104.78 3bjm s SER 106 Ca 0.25 1.04 -0.17 0.00 0.70 0.00 0.00 55.95 57.76 3bjm s SER 106 Cb 0.06 1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 65.74 3bjm s SER 106 CO 0.05 -0.23 0.44 -0.63 1.20 0.00 0.00 173.24 174.07 3bjm s ILE 107 N 2.62 5.20 0.64 6.45 1.01 -1.26 0.77 121.20 136.62 3bjm s ILE 107 Ca -0.02 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.30 3bjm s ILE 107 Cb -0.12 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3bjm s ILE 107 CO -0.13 0.30 0.95 -1.54 0.00 0.00 0.00 174.94 174.52 3bjm n SER 108 N 3.96 0.62 -0.32 3.58 3.41 -0.20 -4.86 113.62 119.80 3bjm n SER 108 Ca -0.08 0.76 0.04 0.00 -0.26 0.00 0.00 58.87 59.33 3bjm n SER 108 Cb 0.51 -1.39 0.18 0.00 -0.26 0.00 0.00 64.21 63.26 3bjm n SER 108 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bjm h PRO 109 N 0.26 0.90 -0.74 4.33 0.11 -1.80 -1.46 132.00 133.59 3bjm h PRO 109 Ca -0.48 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 3bjm h PRO 109 Cb 1.36 -0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 3bjm h PRO 109 CO 0.49 0.60 0.20 -0.25 -0.21 0.00 0.00 178.00 178.83 3bjm n ASP 110 N -4.66 4.79 0.00 -2.05 9.92 -1.21 -4.91 116.55 118.44 3bjm n ASP 110 Ca 0.15 -3.05 0.00 0.00 -0.53 0.00 0.00 54.79 51.36 3bjm n ASP 110 Cb 0.27 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 3bjm n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bjm n GLY 111 N 0.06 0.91 0.17 0.44 0.00 -0.55 -4.85 105.19 101.36 3bjm n GLY 111 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 2.71 0.00 -4.22 1.61 4.20 -1.91 -3.46 115.11 114.03 3bjm h GLN 112 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3bjm h GLN 112 Cb 0.00 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.63 3bjm h GLN 112 CO 0.00 0.17 -0.68 -0.06 -0.67 0.00 0.00 178.83 177.59 3bjm s PHE 113 N -3.14 0.50 -0.04 2.96 0.08 -1.26 -1.59 117.98 115.49 3bjm s PHE 113 Ca 0.04 -1.04 0.02 0.00 0.12 0.00 0.00 56.93 56.07 3bjm s PHE 113 Cb 0.07 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.15 3bjm s PHE 113 CO 0.72 -0.37 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.89 3bjm s ILE 114 N -3.82 0.75 -0.08 0.64 2.07 -0.92 -1.04 121.20 118.81 3bjm s ILE 114 Ca 0.06 -0.29 -0.26 0.00 -1.41 0.00 0.00 60.65 58.75 3bjm s ILE 114 Cb 0.07 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 3bjm s ILE 114 CO -0.10 0.26 0.82 -0.76 -1.91 0.00 0.00 174.94 173.26 3bjm s LEU 115 N 0.58 4.29 -0.27 8.50 1.43 0.23 -1.40 118.68 132.05 3bjm s LEU 115 Ca -0.09 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.27 3bjm s LEU 115 Cb -0.13 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3bjm s LEU 115 CO 0.01 -0.24 0.06 -0.76 0.23 0.00 0.00 176.35 175.64 3bjm s LEU 116 N 1.26 3.55 -0.12 1.79 1.43 0.51 -1.09 118.68 126.01 3bjm s LEU 116 Ca 0.42 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3bjm s LEU 116 Cb -0.18 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3bjm s LEU 116 CO 0.19 -0.11 0.52 -0.70 0.23 0.00 0.00 176.35 176.48 3bjm s GLU 117 N 1.53 4.33 0.22 1.70 2.12 0.17 -1.93 118.70 126.84 3bjm s GLU 117 Ca 0.04 0.51 -0.10 0.00 0.36 0.00 0.00 54.97 55.79 3bjm s GLU 117 Cb -0.16 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3bjm s GLU 117 CO 0.02 0.10 0.36 1.52 -0.54 0.00 0.00 175.26 176.71 3bjm s TYR 118 N 0.80 0.52 -1.30 5.30 1.13 -0.72 -0.31 117.35 122.78 3bjm s TYR 118 Ca 0.27 -0.86 -0.02 0.00 -1.41 0.00 0.00 57.07 55.06 3bjm s TYR 118 Cb -0.16 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.69 3bjm s TYR 118 CO 0.11 -0.85 0.24 0.09 -2.51 0.00 0.00 175.55 172.63 3bjm n ASN 119 N -0.32 -4.98 -4.70 -0.18 3.02 -1.26 -0.43 115.26 106.42 3bjm n ASN 119 Ca -0.02 -0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 3bjm n ASN 119 Cb 0.63 -3.96 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 3bjm n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bjm n TYR 120 N -4.13 2.63 -3.92 3.10 4.19 -1.26 -4.42 117.16 113.35 3bjm n TYR 120 Ca -0.14 -0.04 -0.29 0.00 3.31 0.00 0.00 57.90 60.74 3bjm n TYR 120 Cb 0.62 -2.69 -0.16 0.00 0.49 0.00 0.00 39.34 37.59 3bjm n TYR 120 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3bjm s VAL 121 N 2.08 1.26 0.28 2.97 1.01 0.14 -5.01 120.40 123.14 3bjm s VAL 121 Ca 0.80 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3bjm s VAL 121 Cb -0.52 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 3bjm s VAL 121 CO 0.36 0.11 1.16 -0.75 0.00 0.00 0.00 175.10 175.98 3bjm s LYS 122 N 1.56 4.55 0.00 2.72 2.20 -1.26 -1.27 119.74 128.24 3bjm s LYS 122 Ca -0.00 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 3bjm s LYS 122 Cb -0.16 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3bjm s LYS 122 CO -0.08 0.08 0.00 0.94 -0.36 0.00 0.00 175.35 175.94 3bjm n GLN 123 N 1.22 0.00 0.00 4.03 7.27 -0.61 -4.91 117.38 124.38 3bjm n GLN 123 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3bjm n GLN 123 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 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 -0.05 3.69 5.03 -1.20 -4.95 117.44 119.96 3bjm n TRP 124 Ca 0.00 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.49 3bjm n TRP 124 Cb 0.00 0.00 0.18 0.00 -1.03 0.00 0.00 31.31 30.46 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 0.66 0.00 -0.99 2.43 -1.99 -3.36 114.38 111.13 3bjm h ARG 125 Ca 0.00 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3bjm h ARG 125 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3bjm h ARG 125 CO 0.00 0.75 -1.13 0.72 -1.51 0.00 0.00 179.97 178.80 3bjm n HIS 126 N -4.18 0.00 -2.36 2.20 8.25 -1.26 -5.06 115.22 112.81 3bjm n HIS 126 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 3bjm n HIS 126 Cb 0.34 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -3.67 6.20 0.10 0.41 1.04 -1.26 -4.68 113.70 111.83 3bjm s SER 127 Ca -0.02 2.16 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 3bjm s SER 127 Cb 0.01 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.62 3bjm s SER 127 CO 0.07 -0.89 0.87 -0.72 0.98 0.00 0.00 173.24 173.55 3bjm s TYR 128 N -1.69 -0.27 0.15 5.02 -0.85 -1.26 -1.57 117.35 116.87 3bjm s TYR 128 Ca 0.65 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.34 3bjm s TYR 128 Cb -0.24 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 3bjm s TYR 128 CO 0.29 -0.74 -0.20 -0.08 -1.52 0.00 0.00 175.55 173.30 3bjm s THR 129 N -3.32 2.67 0.22 -3.49 -1.32 -0.40 -4.58 115.64 105.42 3bjm s THR 129 Ca 0.08 -1.70 -0.23 0.00 -1.21 0.00 0.00 61.69 58.63 3bjm s THR 129 Cb -0.02 -2.25 0.04 0.00 -1.51 0.00 0.00 72.50 68.77 3bjm s THR 129 CO -0.04 0.01 0.80 0.00 -2.21 0.00 0.00 174.62 173.19 3bjm s ALA 130 N -1.34 -1.41 0.27 11.08 0.00 -0.58 -0.68 121.76 129.10 3bjm s ALA 130 Ca 0.19 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.13 3bjm s ALA 130 Cb -0.10 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3bjm s ALA 130 CO 0.10 -1.02 0.27 -1.12 0.00 0.00 0.00 175.76 173.99 3bjm s SER 131 N -2.91 5.69 -0.07 0.00 0.01 0.43 -1.16 113.70 115.69 3bjm s SER 131 Ca 0.11 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 3bjm s SER 131 Cb -0.04 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 64.81 3bjm s SER 131 CO 0.04 -0.14 0.17 -0.31 0.41 0.00 0.00 173.24 173.41 3bjm s TYR 132 N -2.14 -0.19 0.16 2.43 2.02 -1.26 -1.76 117.35 116.61 3bjm s TYR 132 Ca 0.36 0.49 0.11 0.00 -0.37 0.00 0.00 57.07 57.65 3bjm s TYR 132 Cb -0.08 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 3bjm s TYR 132 CO 0.27 -0.12 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.37 3bjm s ASP 133 N 0.48 3.44 -0.09 2.29 1.01 -0.81 -4.43 116.67 118.56 3bjm s ASP 133 Ca -0.03 -0.79 0.02 0.00 0.71 0.00 0.00 52.55 52.47 3bjm s ASP 133 Cb -0.05 -0.27 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 3bjm s ASP 133 CO -0.02 0.15 -0.16 -0.63 0.21 0.00 0.00 175.17 174.72 3bjm s ILE 134 N -1.37 2.86 -0.23 0.77 1.01 -1.26 -0.37 121.20 122.62 3bjm s ILE 134 Ca 0.18 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3bjm s ILE 134 Cb -0.09 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.25 3bjm s ILE 134 CO 0.08 0.56 -0.06 -0.47 0.00 0.00 0.00 174.94 175.05 3bjm s TYR 135 N -0.16 2.99 -0.34 3.97 6.14 -0.49 -1.51 117.35 127.96 3bjm s TYR 135 Ca -0.01 -1.30 -0.29 0.00 0.64 0.00 0.00 57.07 56.11 3bjm s TYR 135 Cb -0.14 -2.07 0.01 0.00 0.42 0.00 0.00 41.96 40.18 3bjm s TYR 135 CO 0.03 -0.66 1.29 0.34 0.64 0.00 0.00 175.55 177.19 3bjm s ASP 136 N 1.39 6.63 0.12 4.32 -1.08 0.60 -2.16 116.67 126.49 3bjm s ASP 136 Ca 0.03 1.05 -0.07 0.00 -0.52 0.00 0.00 52.55 53.05 3bjm s ASP 136 Cb -0.15 -2.54 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 3bjm s ASP 136 CO -0.05 -1.14 1.27 -0.07 0.52 0.00 0.00 175.17 175.70 3bjm h LEU 137 N 11.08 0.63 0.78 -1.34 3.38 -1.60 -3.15 115.31 125.10 3bjm h LEU 137 Ca -0.26 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 3bjm h LEU 137 Cb 1.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3bjm h LEU 137 CO 1.05 1.30 -0.43 0.78 0.09 0.00 0.00 178.44 181.23 3bjm h ASN 138 N 0.27 -1.07 -0.63 -0.43 2.35 -1.89 -3.40 115.58 110.78 3bjm h ASN 138 Ca -0.09 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3bjm h ASN 138 Cb 1.61 0.30 0.00 0.00 0.05 0.00 0.00 38.32 40.28 3bjm h ASN 138 CO 0.17 -0.69 0.00 0.29 -1.65 0.00 0.00 177.43 175.55 3bjm n LYS 139 N -5.19 -0.21 -2.66 0.81 5.02 -1.25 -5.01 118.16 109.68 3bjm n LYS 139 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 3bjm n LYS 139 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.50 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 -0.85 1.68 -4.73 1.97 3.00 -1.21 -4.86 116.66 111.67 3bjm n ARG 140 Ca 0.00 -3.51 -0.28 0.00 -0.01 0.00 0.00 57.85 54.05 3bjm n ARG 140 Cb 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 32.46 30.81 3bjm n ARG 140 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3bjm s GLN 141 N -3.38 1.58 0.18 5.56 -0.21 -1.19 -4.97 119.66 117.22 3bjm s GLN 141 Ca 0.31 -1.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 3bjm s GLN 141 Cb 0.41 -1.78 -0.08 0.00 1.00 0.00 0.00 33.01 32.56 3bjm s GLN 141 CO -0.01 0.45 1.31 -0.51 -2.12 0.00 0.00 175.29 174.42 3bjm s LEU 142 N -1.35 4.41 0.21 2.90 1.43 -1.26 -0.29 118.68 124.73 3bjm s LEU 142 Ca 0.10 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 3bjm s LEU 142 Cb -0.10 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3bjm s LEU 142 CO 0.03 -0.54 1.19 0.27 0.23 0.00 0.00 176.35 177.53 3bjm s ILE 143 N 0.28 3.52 -0.08 -0.59 -5.25 -0.57 -4.91 121.20 113.59 3bjm s ILE 143 Ca 0.58 1.32 0.19 0.00 -0.99 0.00 0.00 60.65 61.75 3bjm s ILE 143 Cb -0.36 -3.85 -0.29 0.00 2.95 0.00 0.00 42.46 40.92 3bjm s ILE 143 CO 0.37 0.23 0.31 0.41 -1.79 0.00 0.00 174.94 174.47 3bjm n THR 144 N 2.23 0.46 -4.47 8.37 -1.04 -1.26 -4.71 114.28 113.85 3bjm n THR 144 Ca 0.03 -0.58 -0.24 0.00 -2.04 0.00 0.00 64.05 61.22 3bjm n THR 144 Cb 0.45 -0.16 -0.10 0.00 -1.82 0.00 0.00 70.33 68.70 3bjm n THR 144 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3bjm s GLU 145 N -3.07 1.76 -1.63 -2.82 -1.05 -1.26 -4.63 118.70 106.00 3bjm s GLU 145 Ca -0.08 -1.78 -0.03 0.00 -0.15 0.00 0.00 54.97 52.93 3bjm s GLU 145 Cb 0.10 -1.78 0.01 0.00 -0.44 0.00 0.00 34.13 32.02 3bjm s GLU 145 CO 0.82 0.29 0.36 0.39 0.95 0.00 0.00 175.26 178.07 3bjm n GLU 146 N -0.68 -3.59 -1.75 -4.83 -0.58 -1.26 -4.77 120.64 103.18 3bjm n GLU 146 Ca -0.05 0.93 -0.39 0.00 -0.42 0.00 0.00 57.16 57.23 3bjm n GLU 146 Cb 0.61 -5.71 0.03 0.00 -0.57 0.00 0.00 31.44 25.79 3bjm n GLU 146 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3bjm n ARG 147 N -3.62 1.97 -1.67 3.49 1.74 -1.26 -4.88 116.66 112.44 3bjm n ARG 147 Ca -0.16 0.71 -0.46 0.00 -0.77 0.00 0.00 57.85 57.17 3bjm n ARG 147 Cb 0.64 -2.59 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 3bjm n ARG 147 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3bjm n ILE 148 N -0.59 0.24 -1.11 0.55 5.41 -1.26 -4.93 119.36 117.67 3bjm n ILE 148 Ca 0.08 -0.06 -0.31 0.00 1.00 0.00 0.00 62.75 63.46 3bjm n ILE 148 Cb 0.43 -1.51 0.12 0.00 -0.71 0.00 0.00 39.64 37.97 3bjm n ILE 148 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3bjm s PRO 149 N 0.56 1.79 0.75 0.38 0.04 -1.26 -4.46 135.00 132.80 3bjm s PRO 149 Ca 0.76 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 3bjm s PRO 149 Cb -0.68 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.07 3bjm s PRO 149 CO 0.41 -1.98 1.12 -0.80 0.04 0.00 0.00 177.00 175.79 3bjm s ASN 150 N -3.21 4.44 -1.53 6.66 0.01 -1.26 -3.63 114.94 116.42 3bjm s ASN 150 Ca 0.63 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.78 3bjm s ASN 150 Cb -0.19 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.93 3bjm s ASN 150 CO 0.57 -2.08 0.00 0.59 -1.51 0.00 0.00 177.10 174.67 3bjm n ASN 151 N -3.15 -5.11 -4.77 -1.22 3.02 -1.05 -4.97 115.26 98.02 3bjm n ASN 151 Ca 0.10 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 3bjm n ASN 151 Cb 0.52 -4.19 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 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 -2.85 3.03 -0.13 3.41 2.01 -0.31 -4.61 115.64 116.19 3bjm s THR 152 Ca 0.00 0.99 0.19 0.00 0.31 0.00 0.00 61.69 63.18 3bjm s THR 152 Cb 0.00 -3.62 -0.24 0.00 0.01 0.00 0.00 72.50 68.65 3bjm s THR 152 CO 0.00 0.21 0.40 0.00 -0.69 0.00 0.00 174.62 174.54 3bjm n GLN 153 N 0.74 0.66 -3.57 4.92 6.02 0.26 -1.53 117.38 124.87 3bjm n GLN 153 Ca 0.01 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 3bjm n GLN 153 Cb 0.44 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.89 -0.58 -0.06 1.08 -0.11 -1.18 -4.56 118.94 110.64 3bjm s TRP 154 Ca -0.07 1.16 -0.05 0.00 1.22 0.00 0.00 56.10 58.35 3bjm s TRP 154 Cb 0.09 0.39 0.02 0.00 -1.50 0.00 0.00 33.47 32.46 3bjm s TRP 154 CO 0.85 -0.44 0.15 0.08 -4.62 0.00 0.00 176.95 172.97 3bjm s VAL 155 N -0.65 -0.01 -0.02 5.86 1.01 -1.26 0.08 120.40 125.42 3bjm s VAL 155 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3bjm s VAL 155 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.14 3bjm s VAL 155 CO 0.04 0.01 0.09 -0.89 0.00 0.00 0.00 175.10 174.34 3bjm s THR 156 N 0.20 0.03 0.69 3.92 2.01 0.06 -5.00 115.64 117.56 3bjm s THR 156 Ca -0.01 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 3bjm s THR 156 Cb -0.02 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.27 3bjm s THR 156 CO -0.01 -0.16 1.09 0.26 -0.69 0.00 0.00 174.62 175.11 3bjm s TRP 157 N -0.49 2.76 0.82 4.92 0.52 -1.26 -1.49 118.94 124.72 3bjm s TRP 157 Ca -0.06 1.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.47 3bjm s TRP 157 Cb -0.04 -3.05 0.08 0.00 -1.15 0.00 0.00 33.47 29.32 3bjm s TRP 157 CO 0.00 -1.53 1.11 -1.54 0.02 0.00 0.00 176.95 175.01 3bjm s SER 158 N -3.07 4.29 0.44 2.95 1.04 -0.88 -4.89 113.70 113.58 3bjm s SER 158 Ca 0.63 1.24 0.14 0.00 0.48 0.00 0.00 55.95 58.44 3bjm s SER 158 Cb -0.17 -1.94 0.98 0.00 0.10 0.00 0.00 66.02 64.98 3bjm s SER 158 CO 0.47 -2.09 1.97 -0.65 0.98 0.00 0.00 173.24 173.93 3bjm h PRO 159 N -1.17 0.00 -4.93 4.02 0.11 -1.84 -3.42 132.00 124.77 3bjm h PRO 159 Ca -0.48 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 3bjm h PRO 159 Cb 1.28 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.19 3bjm h PRO 159 CO 0.60 0.20 -0.75 0.14 -0.21 0.00 0.00 178.00 177.99 3bjm s VAL 160 N -4.58 0.85 0.00 3.15 -7.23 -1.26 -4.74 120.40 106.59 3bjm s VAL 160 Ca -0.04 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3bjm s VAL 160 Cb 0.16 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3bjm s VAL 160 CO 0.70 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3bjm n GLY 161 N 1.06 0.42 1.31 2.32 0.00 -1.26 -4.52 105.19 104.51 3bjm n GLY 161 Ca -0.20 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 10.52 -0.06 -2.05 1.61 1.44 -1.26 -3.30 115.22 122.13 3bjm n HIS 162 Ca 0.00 -0.60 -0.35 0.00 -2.01 0.00 0.00 57.72 54.76 3bjm n HIS 162 Cb 0.00 0.29 0.03 0.00 0.12 0.00 0.00 29.99 30.43 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 -0.10 3.04 0.06 -1.40 1.02 -1.26 -4.53 119.74 116.57 3bjm s LYS 163 Ca 0.14 1.74 0.08 0.00 0.02 0.00 0.00 55.97 57.94 3bjm s LYS 163 Cb 0.17 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 3bjm s LYS 163 CO -0.07 -1.13 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.49 3bjm s LEU 164 N -4.08 2.19 -0.05 3.17 1.43 -0.12 -2.06 118.68 119.15 3bjm s LEU 164 Ca 0.75 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3bjm s LEU 164 Cb -0.28 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.86 3bjm s LEU 164 CO 0.32 0.18 -0.15 0.00 0.23 0.00 0.00 176.35 176.93 3bjm s ALA 165 N -0.85 1.41 0.12 4.21 0.00 -0.56 -0.94 121.76 125.15 3bjm s ALA 165 Ca 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3bjm s ALA 165 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3bjm s ALA 165 CO 0.02 0.21 -0.03 1.52 0.00 0.00 0.00 175.76 177.49 3bjm s TYR 166 N 0.26 0.95 -0.14 0.00 -0.85 -0.65 -0.76 117.35 116.16 3bjm s TYR 166 Ca -0.08 -1.00 0.01 0.00 -0.52 0.00 0.00 57.07 55.49 3bjm s TYR 166 Cb -0.13 -0.55 -0.00 0.00 0.38 0.00 0.00 41.96 41.66 3bjm s TYR 166 CO 0.03 -0.23 -0.17 0.08 -1.52 0.00 0.00 175.55 173.73 3bjm s VAL 167 N -3.71 2.51 -0.02 -3.49 1.01 0.11 -1.09 120.40 115.72 3bjm s VAL 167 Ca 0.16 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3bjm s VAL 167 Cb 0.06 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3bjm s VAL 167 CO -0.02 0.53 0.04 0.86 0.00 0.00 0.00 175.10 176.51 3bjm s TRP 168 N 0.69 0.00 -1.50 5.22 -0.00 -0.61 0.89 118.94 123.64 3bjm s TRP 168 Ca -0.08 0.16 -0.14 0.00 -0.00 0.00 0.00 56.10 56.03 3bjm s TRP 168 Cb -0.16 -0.20 0.12 0.00 -0.00 0.00 0.00 33.47 33.23 3bjm s TRP 168 CO 0.02 -0.09 0.69 0.09 -0.00 0.00 0.00 176.95 177.66 3bjm n ASN 169 N 4.06 -3.64 0.00 5.86 5.03 -1.26 -2.00 115.26 123.31 3bjm n ASN 169 Ca -0.26 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.46 3bjm n ASN 169 Cb 0.51 -2.98 0.00 0.00 -1.02 0.00 0.00 39.78 36.29 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 -2.52 -3.36 -4.58 6.41 4.13 -1.26 -4.28 115.26 109.79 3bjm n ASN 170 Ca 0.04 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.04 3bjm n ASN 170 Cb 0.51 -1.40 -0.09 0.00 -1.54 0.00 0.00 39.78 37.26 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 -2.11 4.32 -0.10 6.41 1.01 -0.85 -1.73 116.67 123.62 3bjm s ASP 171 Ca 0.00 -0.58 -0.10 0.00 0.71 0.00 0.00 52.55 52.57 3bjm s ASP 171 Cb 0.00 -0.75 -0.05 0.00 1.01 0.00 0.00 42.92 43.13 3bjm s ASP 171 CO 0.00 0.09 0.23 -0.63 0.21 0.00 0.00 175.17 175.07 3bjm s ILE 172 N -1.81 5.34 0.08 0.77 1.01 -1.26 -1.58 121.20 123.75 3bjm s ILE 172 Ca 0.26 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.38 3bjm s ILE 172 Cb -0.08 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3bjm s ILE 172 CO 0.16 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.21 3bjm s TYR 173 N -0.65 1.17 -0.04 3.97 1.51 -0.25 -0.87 117.35 122.19 3bjm s TYR 173 Ca 0.17 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3bjm s TYR 173 Cb -0.13 -0.65 0.01 0.00 -0.11 0.00 0.00 41.96 41.07 3bjm s TYR 173 CO 0.06 0.05 -0.11 0.08 -1.11 0.00 0.00 175.55 174.52 3bjm s VAL 174 N -1.48 0.97 -0.21 0.71 1.01 -0.18 -1.64 120.40 119.58 3bjm s VAL 174 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3bjm s VAL 174 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3bjm s VAL 174 CO 0.02 0.30 -0.05 -0.54 0.00 0.00 0.00 175.10 174.83 3bjm s LYS 175 N 0.35 3.39 0.02 2.72 1.02 -0.12 0.29 119.74 127.42 3bjm s LYS 175 Ca -0.07 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.12 3bjm s LYS 175 Cb -0.12 -2.96 -0.26 0.00 -0.52 0.00 0.00 37.83 33.97 3bjm s LYS 175 CO 0.02 -0.13 1.09 0.82 -0.92 0.00 0.00 175.35 176.23 3bjm h ILE 176 N 5.64 1.37 -4.05 2.17 1.08 -1.86 -0.29 117.51 121.58 3bjm h ILE 176 Ca -0.39 -2.28 -0.60 0.00 -0.39 0.00 0.00 64.86 61.20 3bjm h ILE 176 Cb 1.17 2.67 -0.24 0.00 -3.07 0.00 0.00 36.82 37.35 3bjm h ILE 176 CO 0.60 0.68 -0.84 -1.61 -0.69 0.00 0.00 178.15 176.28 3bjm s GLU 177 N -3.06 1.33 0.57 2.37 0.41 -1.26 -4.16 118.70 114.90 3bjm s GLU 177 Ca -0.12 -1.11 0.27 0.00 -0.41 0.00 0.00 54.97 53.60 3bjm s GLU 177 Cb 0.04 -1.57 1.58 0.00 -1.78 0.00 0.00 34.13 32.40 3bjm s GLU 177 CO 0.87 0.38 2.09 -1.35 -0.49 0.00 0.00 175.26 176.77 3bjm h PRO 178 N 4.39 0.00 -0.02 0.39 0.11 -1.86 -1.90 132.00 133.11 3bjm h PRO 178 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bjm h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bjm h PRO 178 CO 0.41 0.00 -0.27 0.27 -0.21 0.00 0.00 178.00 178.20 3bjm n ASN 179 N -3.95 2.44 -4.88 -2.05 6.94 -1.26 -4.85 115.26 107.63 3bjm n ASN 179 Ca 0.02 -1.72 -0.30 0.00 -0.02 0.00 0.00 54.58 52.57 3bjm n ASN 179 Cb 0.34 0.27 -0.04 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.26 4.00 0.32 -4.53 2.01 -0.71 -4.67 118.68 112.83 3bjm s LEU 180 Ca 0.22 0.94 -0.29 0.00 0.01 0.00 0.00 54.13 55.02 3bjm s LEU 180 Cb 0.19 -3.77 -0.12 0.00 0.01 0.00 0.00 46.19 42.49 3bjm s LEU 180 CO 0.45 -0.25 1.34 -2.65 1.01 0.00 0.00 176.35 176.25 3bjm n PRO 181 N -0.89 2.15 -1.93 1.29 -0.02 -1.26 -4.85 135.00 129.50 3bjm n PRO 181 Ca 0.01 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 3bjm n PRO 181 Cb 0.54 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.13 6.10 -0.19 2.55 1.04 -1.26 -4.76 113.70 117.04 3bjm s SER 182 Ca 0.59 1.33 -0.10 0.00 0.48 0.00 0.00 55.95 58.25 3bjm s SER 182 Cb -0.58 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.13 3bjm s SER 182 CO 0.59 -0.93 0.13 -0.31 0.98 0.00 0.00 173.24 173.70 3bjm s TYR 183 N -3.18 3.44 -0.19 5.02 1.51 0.14 -4.87 117.35 119.22 3bjm s TYR 183 Ca 0.55 0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 56.72 3bjm s TYR 183 Cb -0.11 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3bjm s TYR 183 CO 0.53 0.35 0.86 0.50 -1.11 0.00 0.00 175.55 176.68 3bjm s ARG 184 N 0.18 4.27 -0.16 -0.62 3.52 -1.26 -1.01 118.95 123.86 3bjm s ARG 184 Ca 0.09 1.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3bjm s ARG 184 Cb -0.11 -3.60 -0.23 0.00 -1.56 0.00 0.00 34.95 29.45 3bjm s ARG 184 CO -0.01 -0.40 0.18 -0.89 -0.81 0.00 0.00 175.30 173.37 3bjm n ILE 185 N 4.91 1.62 -4.36 4.11 2.08 -0.05 -4.35 119.36 123.33 3bjm n ILE 185 Ca 0.06 -0.67 -0.24 0.00 0.56 0.00 0.00 62.75 62.46 3bjm n ILE 185 Cb 0.48 -1.40 -0.11 0.00 -0.75 0.00 0.00 39.64 37.86 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 1.97 0.00 1.39 -4.23 -1.21 -4.78 115.64 106.24 3bjm s THR 186 Ca -0.23 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 3bjm s THR 186 Cb 0.07 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 72.01 3bjm s THR 186 CO 0.73 -0.23 0.39 0.79 -0.54 0.00 0.00 174.62 175.76 3bjm n TRP 187 N 0.36 0.00 0.97 3.99 7.02 -1.26 -4.52 117.44 124.00 3bjm n TRP 187 Ca -0.14 -0.08 0.12 0.00 -1.02 0.00 0.00 57.50 56.39 3bjm n TRP 187 Cb 0.56 -0.01 0.21 0.00 -2.42 0.00 0.00 31.31 29.65 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 -0.08 0.02 -1.63 -0.99 -2.24 -1.26 -4.97 114.28 103.13 3bjm n THR 188 Ca 0.00 -0.02 -0.46 0.00 -2.27 0.00 0.00 64.05 61.30 3bjm n THR 188 Cb 0.23 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.49 0.35 3.34 3.38 0.00 -1.26 -4.71 105.19 107.78 3bjm n GLY 189 Ca 0.05 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.66 0.43 0.12 1.61 2.20 -0.94 -4.89 119.74 117.61 3bjm s LYS 190 Ca 0.68 0.94 -0.34 0.00 -0.36 0.00 0.00 55.97 56.88 3bjm s LYS 190 Cb -0.72 0.12 -0.14 0.00 -1.51 0.00 0.00 37.83 35.57 3bjm s LYS 190 CO 0.53 -0.18 1.57 -1.91 -0.36 0.00 0.00 175.35 175.00 3bjm n GLU 191 N 4.59 1.99 -0.86 4.03 2.13 -1.26 -1.16 120.64 130.09 3bjm n GLU 191 Ca -0.19 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3bjm n GLU 191 Cb 0.54 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.78 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 3.58 -0.54 0.07 4.31 8.00 -1.26 -4.77 116.55 125.93 3bjm n ASP 192 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3bjm n ASP 192 Cb 0.27 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 -2.09 0.55 -4.29 0.53 5.41 -0.31 -4.71 119.36 114.44 3bjm n ILE 193 Ca 0.00 0.18 -0.34 0.00 1.00 0.00 0.00 62.75 63.59 3bjm n ILE 193 Cb 0.02 -1.01 -0.13 0.00 -0.71 0.00 0.00 39.64 37.81 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 -1.73 3.49 -0.20 1.39 -1.09 -0.87 -0.39 121.20 121.80 3bjm s ILE 194 Ca 0.00 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 3bjm s ILE 194 Cb 0.00 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 3bjm s ILE 194 CO 0.00 0.47 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.76 3bjm s TYR 195 N 0.82 2.89 -0.26 3.97 1.51 -0.12 -2.21 117.35 123.94 3bjm s TYR 195 Ca -0.02 -1.26 -0.06 0.00 -1.01 0.00 0.00 57.07 54.72 3bjm s TYR 195 Cb -0.15 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 3bjm s TYR 195 CO 0.01 -0.67 0.04 -0.80 -1.11 0.00 0.00 175.55 173.03 3bjm s ASN 196 N 1.39 4.90 0.00 2.29 0.01 -0.70 -0.86 114.94 121.97 3bjm s ASN 196 Ca 0.05 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 3bjm s ASN 196 Cb -0.14 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.67 3bjm s ASN 196 CO -0.07 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 3bjm n GLY 197 N 4.85 1.53 3.24 0.66 0.00 -0.67 -4.37 105.19 110.43 3bjm n GLY 197 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.90 1.20 0.50 -0.61 -4.36 -1.26 0.25 121.20 114.01 3bjm s ILE 198 Ca 0.00 -1.92 -0.06 0.00 -0.26 0.00 0.00 60.65 58.40 3bjm s ILE 198 Cb 0.00 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3bjm s ILE 198 CO 0.00 -0.63 0.82 0.42 0.24 0.00 0.00 174.94 175.79 3bjm s THR 199 N -2.89 4.88 0.36 8.37 -4.23 0.45 -4.70 115.64 117.87 3bjm s THR 199 Ca 0.13 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 3bjm s THR 199 Cb -0.00 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 70.05 3bjm s THR 199 CO 0.01 -0.88 0.49 -0.90 -0.54 0.00 0.00 174.62 172.80 3bjm n ASP 200 N -2.30 0.45 0.01 3.99 5.75 -1.26 -4.81 116.55 118.38 3bjm n ASP 200 Ca 0.01 -1.43 -0.10 0.00 -0.01 0.00 0.00 54.79 53.26 3bjm n ASP 200 Cb 0.55 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.72 -0.12 0.00 2.11 7.01 -2.00 -1.61 115.95 120.62 3bjm h TRP 201 Ca -0.16 0.01 -0.19 0.00 2.11 0.00 0.00 58.89 60.66 3bjm h TRP 201 Cb 0.55 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 3bjm h TRP 201 CO 0.00 -0.08 -0.84 -0.24 -2.79 0.00 0.00 178.44 174.49 3bjm h VAL 202 N -0.05 1.52 -0.47 2.65 3.04 -1.95 -1.95 116.25 119.04 3bjm h VAL 202 Ca 0.05 -2.64 -0.13 0.00 -1.01 0.00 0.00 66.70 62.97 3bjm h VAL 202 Cb 0.12 2.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 3bjm h VAL 202 CO -0.11 0.76 -0.22 1.88 -1.01 0.00 0.00 177.57 178.88 3bjm h TYR 203 N 0.08 1.10 -0.23 3.17 -1.99 -1.92 -0.65 116.97 116.52 3bjm h TYR 203 Ca -0.03 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.43 3bjm h TYR 203 Cb 1.47 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 3bjm h TYR 203 CO 0.02 1.07 0.12 1.49 -0.00 0.00 0.00 178.16 180.86 3bjm h GLU 204 N 0.83 0.33 0.14 4.88 4.81 -1.05 -1.07 114.58 123.45 3bjm h GLU 204 Ca 0.11 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.00 3bjm h GLU 204 Cb 0.78 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.12 3bjm h GLU 204 CO 0.07 0.32 -1.26 1.49 -0.73 0.00 0.00 179.01 178.89 3bjm h GLU 205 N 0.25 0.43 0.00 1.92 4.57 -1.35 -2.28 114.58 118.12 3bjm h GLU 205 Ca 0.08 -0.66 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3bjm h GLU 205 Cb 0.10 0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3bjm h GLU 205 CO -0.01 1.29 -1.41 0.39 -1.18 0.00 0.00 179.01 178.09 3bjm n GLU 206 N -3.66 0.34 -0.01 1.92 -0.58 -0.25 -4.63 120.64 113.77 3bjm n GLU 206 Ca -0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 57.16 56.50 3bjm n GLU 206 Cb 1.01 -1.21 -0.01 0.00 -0.57 0.00 0.00 31.44 30.66 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 -1.82 1.22 0.14 2.62 0.31 -0.86 -4.81 118.33 115.13 3bjm n VAL 207 Ca -0.02 0.25 0.11 0.00 -0.01 0.00 0.00 64.34 64.67 3bjm n VAL 207 Cb 0.25 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.30 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 -3.79 0.61 -3.83 3.52 3.72 -0.46 -4.97 117.46 112.25 3bjm n PHE 208 Ca -0.07 0.18 -0.26 0.00 -0.05 0.00 0.00 57.45 57.24 3bjm n PHE 208 Cb 0.26 -0.76 0.03 0.00 -0.94 0.00 0.00 39.48 38.06 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 -2.46 -2.90 -3.59 4.37 7.64 -0.88 -4.95 113.62 110.85 3bjm n SER 209 Ca -0.01 -0.81 -0.07 0.00 1.01 0.00 0.00 58.87 58.98 3bjm n SER 209 Cb 0.54 -3.89 -0.04 0.00 -1.01 0.00 0.00 64.21 59.80 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 -3.51 -1.99 0.06 -0.43 0.00 -1.06 -5.00 121.76 109.84 3bjm s ALA 210 Ca 0.33 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.91 3bjm s ALA 210 Cb -0.17 -0.82 -0.27 0.00 0.00 0.00 0.00 23.12 21.85 3bjm s ALA 210 CO 0.83 -0.34 1.09 -0.92 0.00 0.00 0.00 175.76 176.42 3bjm h TYR 211 N 2.33 0.43 -3.80 0.00 3.20 -1.87 -3.38 116.97 113.88 3bjm h TYR 211 Ca -0.15 -0.31 -0.53 0.00 3.14 0.00 0.00 58.73 60.88 3bjm h TYR 211 Cb 1.17 -0.02 0.08 0.00 1.54 0.00 0.00 36.73 39.51 3bjm h TYR 211 CO 0.26 1.27 0.72 0.45 -1.64 0.00 0.00 178.16 179.22 3bjm s SER 212 N -7.06 6.58 -0.35 -2.11 0.15 -1.26 -0.42 113.70 109.24 3bjm s SER 212 Ca -0.04 2.83 0.15 0.00 0.70 0.00 0.00 55.95 59.59 3bjm s SER 212 Cb 0.07 -2.65 0.45 0.00 -1.71 0.00 0.00 66.02 62.18 3bjm s SER 212 CO 0.87 -0.70 1.01 0.00 1.20 0.00 0.00 173.24 175.61 3bjm n ALA 213 N 0.96 3.82 -2.96 5.45 0.00 0.14 -4.64 120.51 123.28 3bjm n ALA 213 Ca 0.02 -3.42 -0.25 0.00 0.00 0.00 0.00 53.44 49.79 3bjm n ALA 213 Cb 0.40 -0.82 -0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.28 1.88 -0.25 0.00 1.02 -1.25 -2.35 118.68 114.45 3bjm s LEU 214 Ca 0.33 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 3bjm s LEU 214 Cb 0.44 -0.90 0.08 0.00 0.02 0.00 0.00 46.19 45.83 3bjm s LEU 214 CO -0.02 0.13 0.10 0.26 0.02 0.00 0.00 176.35 176.84 3bjm s TRP 215 N 0.11 0.65 0.43 0.29 0.51 0.16 -4.98 118.94 116.11 3bjm s TRP 215 Ca -0.05 -0.88 -0.24 0.00 -2.12 0.00 0.00 56.10 52.81 3bjm s TRP 215 Cb -0.11 -1.01 -0.08 0.00 -0.81 0.00 0.00 33.47 31.46 3bjm s TRP 215 CO 0.02 -0.72 1.16 -1.58 -0.51 0.00 0.00 176.95 175.32 3bjm s TRP 216 N 1.98 2.97 0.76 -1.98 0.52 -1.26 -0.71 118.94 121.23 3bjm s TRP 216 Ca 0.06 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.62 3bjm s TRP 216 Cb -0.16 -3.36 0.05 0.00 -1.15 0.00 0.00 33.47 28.84 3bjm s TRP 216 CO -0.23 -1.37 1.09 -1.54 0.02 0.00 0.00 176.95 174.92 3bjm s SER 217 N -1.30 4.62 0.59 2.95 1.04 0.21 -4.89 113.70 116.92 3bjm s SER 217 Ca 0.61 1.76 0.29 0.00 0.48 0.00 0.00 55.95 59.08 3bjm s SER 217 Cb -0.29 -2.49 1.74 0.00 0.10 0.00 0.00 66.02 65.08 3bjm s SER 217 CO 0.35 -1.95 2.20 -0.65 0.98 0.00 0.00 173.24 174.18 3bjm h PRO 218 N -1.07 0.00 0.00 4.02 0.11 -1.91 -0.12 132.00 133.04 3bjm h PRO 218 Ca -0.44 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 3bjm h PRO 218 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3bjm h PRO 218 CO 0.53 0.00 -0.73 -0.97 -0.21 0.00 0.00 178.00 176.61 3bjm h ASN 219 N 0.00 0.00 0.00 -2.05 -0.73 -1.92 -3.41 115.58 107.48 3bjm h ASN 219 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3bjm h ASN 219 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 3bjm h ASN 219 CO -0.00 0.73 0.00 0.61 -0.37 0.00 0.00 177.43 178.40 3bjm n GLY 220 N 0.66 0.83 0.15 1.57 0.00 -0.06 -4.68 105.19 103.66 3bjm n GLY 220 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 1.41 -3.38 2.61 2.02 -1.92 -3.45 112.91 110.20 3bjm h THR 221 Ca 0.00 -1.89 -0.68 0.00 0.77 0.00 0.00 66.41 64.61 3bjm h THR 221 Cb 0.00 2.38 -0.15 0.00 -1.74 0.00 0.00 68.15 68.64 3bjm h THR 221 CO 0.00 0.55 -0.64 -0.36 0.37 0.00 0.00 175.52 175.45 3bjm s PHE 222 N -3.50 3.11 -0.31 3.16 0.08 -1.26 -0.30 117.98 118.97 3bjm s PHE 222 Ca -0.13 0.14 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 3bjm s PHE 222 Cb 0.04 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 3bjm s PHE 222 CO 0.81 0.45 0.08 -1.17 -0.10 0.00 0.00 175.22 175.29 3bjm s LEU 223 N -1.05 3.98 0.06 -0.37 0.20 -0.25 -0.62 118.68 120.63 3bjm s LEU 223 Ca 0.15 -0.86 -0.12 0.00 0.69 0.00 0.00 54.13 53.99 3bjm s LEU 223 Cb -0.11 -1.87 -0.06 0.00 -0.43 0.00 0.00 46.19 43.72 3bjm s LEU 223 CO 0.04 -0.23 0.41 0.00 -0.29 0.00 0.00 176.35 176.28 3bjm s ALA 224 N 1.46 3.71 0.09 5.97 0.00 0.12 -0.93 121.76 132.17 3bjm s ALA 224 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 3bjm s ALA 224 Cb -0.18 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.64 3bjm s ALA 224 CO 0.02 0.53 0.34 1.52 0.00 0.00 0.00 175.76 178.17 3bjm s TYR 225 N -1.31 -0.11 0.22 0.00 1.13 -0.33 0.39 117.35 117.33 3bjm s TYR 225 Ca 0.31 -0.16 0.07 0.00 -1.41 0.00 0.00 57.07 55.87 3bjm s TYR 225 Cb -0.15 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 3bjm s TYR 225 CO 0.17 -0.62 0.16 0.00 -2.51 0.00 0.00 175.55 172.75 3bjm s ALA 226 N -3.44 3.55 -0.08 9.51 0.00 -0.99 -1.07 121.76 129.23 3bjm s ALA 226 Ca 0.01 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3bjm s ALA 226 Cb 0.02 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.87 3bjm s ALA 226 CO -0.09 0.34 -0.10 -1.14 0.00 0.00 0.00 175.76 174.77 3bjm s GLN 227 N -3.57 1.60 0.03 0.00 0.74 0.36 -1.68 119.66 117.14 3bjm s GLN 227 Ca 0.32 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.43 3bjm s GLN 227 Cb -0.09 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 3bjm s GLN 227 CO 0.24 -0.08 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.74 3bjm s PHE 228 N 1.04 2.79 -0.16 1.67 0.08 -0.04 -0.90 117.98 122.46 3bjm s PHE 228 Ca -0.07 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 3bjm s PHE 228 Cb -0.15 -1.55 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3bjm s PHE 228 CO -0.01 0.35 -0.05 1.21 -0.10 0.00 0.00 175.22 176.63 3bjm s ASN 229 N -1.56 2.76 -0.08 1.36 3.84 0.42 -0.94 114.94 120.74 3bjm s ASN 229 Ca 0.17 -0.64 0.12 0.00 0.21 0.00 0.00 52.86 52.73 3bjm s ASN 229 Cb -0.11 -0.87 0.35 0.00 -0.55 0.00 0.00 41.25 40.07 3bjm s ASN 229 CO 0.08 -0.19 1.28 0.47 -2.79 0.00 0.00 177.10 175.95 3bjm n ASP 230 N 4.90 3.13 -0.27 -4.21 9.92 0.48 -1.66 116.55 128.84 3bjm n ASP 230 Ca -0.11 -2.48 0.20 0.00 -0.53 0.00 0.00 54.79 51.87 3bjm n ASP 230 Cb 0.48 -0.34 0.38 0.00 -0.64 0.00 0.00 41.12 41.00 3bjm n ASP 230 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3bjm n THR 231 N -0.17 -0.35 0.06 -3.53 -1.04 -1.26 -1.56 114.28 106.43 3bjm n THR 231 Ca 0.14 1.74 0.02 0.00 -2.04 0.00 0.00 64.05 63.92 3bjm n THR 231 Cb 0.60 -2.70 0.04 0.00 -1.82 0.00 0.00 70.33 66.45 3bjm n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3bjm n GLU 232 N -5.01 1.32 -2.03 -2.82 1.02 -1.26 -4.97 120.64 106.89 3bjm n GLU 232 Ca 0.26 -1.26 -0.42 0.00 -0.02 0.00 0.00 57.16 55.72 3bjm n GLU 232 Cb 0.88 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.70 3.04 0.82 2.62 1.01 -0.60 -4.76 120.40 121.83 3bjm s VAL 233 Ca 0.08 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 3bjm s VAL 233 Cb 0.04 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3bjm s VAL 233 CO 0.06 0.03 1.10 -2.84 0.00 0.00 0.00 175.10 173.45 3bjm s PRO 234 N 1.64 1.87 -0.17 2.72 0.02 -1.26 -4.65 135.00 135.17 3bjm s PRO 234 Ca 0.69 1.14 -0.05 0.00 0.02 0.00 0.00 61.00 62.80 3bjm s PRO 234 Cb -0.39 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 3bjm s PRO 234 CO 0.31 -1.91 0.01 -0.51 -0.33 0.00 0.00 177.00 174.57 3bjm s LEU 235 N -6.08 3.47 0.02 -5.54 1.43 -1.26 -1.09 118.68 109.62 3bjm s LEU 235 Ca 0.62 -0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.39 3bjm s LEU 235 Cb -0.18 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3bjm s LEU 235 CO 0.57 0.15 0.85 -0.51 0.23 0.00 0.00 176.35 177.63 3bjm s ILE 236 N 0.48 4.79 0.03 -0.59 -1.16 -0.77 -4.88 121.20 119.10 3bjm s ILE 236 Ca -0.01 1.79 0.09 0.00 -0.51 0.00 0.00 60.65 62.01 3bjm s ILE 236 Cb -0.14 -4.19 -0.03 0.00 0.61 0.00 0.00 42.46 38.71 3bjm s ILE 236 CO 0.02 0.28 -0.26 -1.61 -2.81 0.00 0.00 174.94 170.56 3bjm s GLU 237 N 0.41 1.81 0.01 3.50 2.02 -1.26 -1.91 118.70 123.28 3bjm s GLU 237 Ca 0.43 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 3bjm s GLU 237 Cb -0.21 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.16 3bjm s GLU 237 CO 0.25 0.51 0.67 1.52 0.02 0.00 0.00 175.26 178.23 3bjm s TYR 238 N -0.76 -0.61 0.26 1.61 1.13 -0.63 -4.99 117.35 113.37 3bjm s TYR 238 Ca 0.11 0.87 -0.30 0.00 -1.41 0.00 0.00 57.07 56.34 3bjm s TYR 238 Cb -0.10 0.46 -0.09 0.00 -1.10 0.00 0.00 41.96 41.13 3bjm s TYR 238 CO 0.01 -0.67 0.99 -1.12 -2.51 0.00 0.00 175.55 172.26 3bjm s SER 239 N -1.66 7.51 -0.11 -0.18 0.01 -1.26 -0.52 113.70 117.50 3bjm s SER 239 Ca -0.07 2.04 0.03 0.00 1.31 0.00 0.00 55.95 59.26 3bjm s SER 239 Cb -0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 3bjm s SER 239 CO 0.03 0.05 -0.21 0.12 0.41 0.00 0.00 173.24 173.64 3bjm s PHE 240 N -1.20 2.63 -0.13 2.43 5.36 0.71 -4.71 117.98 123.06 3bjm s PHE 240 Ca 0.43 -0.90 0.17 0.00 -0.96 0.00 0.00 56.93 55.67 3bjm s PHE 240 Cb -0.27 -1.74 -0.23 0.00 -0.34 0.00 0.00 43.02 40.43 3bjm s PHE 240 CO 0.34 -0.34 0.41 0.66 -1.46 0.00 0.00 175.22 174.83 3bjm n TYR 241 N 3.47 0.39 -4.79 10.12 4.01 -1.26 -0.62 117.16 128.49 3bjm n TYR 241 Ca -0.19 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3bjm n TYR 241 Cb 0.53 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 -2.75 -3.66 -4.72 7.72 2.88 -1.26 -4.76 113.62 107.06 3bjm n SER 242 Ca -0.20 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.99 3bjm n SER 242 Cb 0.98 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.52 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 4.29 0.54 -3.46 -0.00 -1.26 -4.88 116.67 107.91 3bjm s ASP 243 Ca 0.00 2.44 0.35 0.00 -0.00 0.00 0.00 52.55 55.34 3bjm s ASP 243 Cb 0.00 -2.60 1.52 0.00 -0.00 0.00 0.00 42.92 41.84 3bjm s ASP 243 CO 0.00 -2.20 1.84 -0.08 -0.00 0.00 0.00 175.17 174.73 3bjm h GLU 244 N -0.05 0.00 0.00 8.23 4.81 -2.05 -1.53 114.58 123.98 3bjm h GLU 244 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3bjm h GLU 244 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 3bjm h GLU 244 CO 0.51 0.00 -0.12 0.66 -0.73 0.00 0.00 179.01 179.33 3bjm h SER 245 N 0.00 0.00 -2.71 1.04 4.64 -1.93 -3.42 113.55 111.17 3bjm h SER 245 Ca 0.50 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.27 3bjm h SER 245 Cb 2.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 3bjm h SER 245 CO -0.01 0.12 1.02 -0.22 -0.87 0.00 0.00 176.83 176.87 3bjm s LEU 246 N -6.49 4.30 -0.01 5.97 0.20 -0.58 -4.92 118.68 117.14 3bjm s LEU 246 Ca 0.01 2.15 -0.16 0.00 0.69 0.00 0.00 54.13 56.82 3bjm s LEU 246 Cb 0.09 -3.54 -0.33 0.00 -0.43 0.00 0.00 46.19 41.98 3bjm s LEU 246 CO 0.60 -0.87 0.87 -0.61 -0.29 0.00 0.00 176.35 176.05 3bjm h GLN 247 N 9.00 0.44 -5.15 1.98 4.15 -1.89 -3.44 115.11 120.21 3bjm h GLN 247 Ca -0.37 -0.76 -0.64 0.00 0.77 0.00 0.00 58.65 57.65 3bjm h GLN 247 Cb 1.17 0.28 -0.23 0.00 0.21 0.00 0.00 27.48 28.91 3bjm h GLN 247 CO 0.95 1.36 -0.66 0.71 -1.93 0.00 0.00 178.83 179.26 3bjm s TYR 248 N -2.55 3.04 0.57 3.99 1.51 -1.26 -5.09 117.35 117.56 3bjm s TYR 248 Ca -0.12 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 3bjm s TYR 248 Cb 0.04 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.75 3bjm s TYR 248 CO 0.89 -0.20 0.84 -2.30 -1.11 0.00 0.00 175.55 173.67 3bjm n PRO 249 N 4.14 0.84 -3.31 -1.71 -0.02 -1.26 -4.98 135.00 128.70 3bjm n PRO 249 Ca -0.17 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 3bjm n PRO 249 Cb 0.52 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.47 3.82 -0.22 -0.52 2.20 0.21 -4.92 119.74 117.84 3bjm s LYS 250 Ca 0.72 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 56.61 3bjm s LYS 250 Cb -0.44 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 3bjm s LYS 250 CO 0.50 0.25 -0.00 0.99 -0.36 0.00 0.00 175.35 176.73 3bjm s THR 251 N -1.93 3.79 -0.02 3.43 2.01 -1.26 -0.21 115.64 121.45 3bjm s THR 251 Ca 0.49 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 3bjm s THR 251 Cb -0.11 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3bjm s THR 251 CO 0.22 0.41 0.44 -0.69 -0.69 0.00 0.00 174.62 174.31 3bjm s VAL 252 N 1.34 5.03 -0.09 3.82 1.01 0.33 -4.93 120.40 126.91 3bjm s VAL 252 Ca 0.04 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 3bjm s VAL 252 Cb -0.15 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3bjm s VAL 252 CO 0.00 0.51 -0.01 -0.13 0.00 0.00 0.00 175.10 175.47 3bjm s ARG 253 N -0.62 0.83 -0.08 2.72 0.52 -1.26 -1.60 118.95 119.46 3bjm s ARG 253 Ca 0.25 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 3bjm s ARG 253 Cb -0.17 -1.20 0.02 0.00 0.52 0.00 0.00 34.95 34.12 3bjm s ARG 253 CO 0.13 -0.32 -0.12 0.08 0.02 0.00 0.00 175.30 175.09 3bjm s VAL 254 N 1.90 1.19 0.12 3.52 1.01 -0.80 -4.97 120.40 122.37 3bjm s VAL 254 Ca 0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 3bjm s VAL 254 Cb -0.13 -1.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 3bjm s VAL 254 CO -0.06 0.38 1.79 -2.84 0.00 0.00 0.00 175.10 174.37 3bjm s PRO 255 N 0.93 4.15 -0.29 2.72 0.02 -1.26 -1.85 135.00 139.42 3bjm s PRO 255 Ca -0.09 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.51 3bjm s PRO 255 Cb -0.15 -3.58 0.18 0.00 0.02 0.00 0.00 34.50 30.98 3bjm s PRO 255 CO 0.00 -0.82 0.53 -0.47 -0.33 0.00 0.00 177.00 175.92 3bjm s TYR 256 N 2.66 -1.55 -0.32 6.54 6.14 -0.25 -4.53 117.35 126.05 3bjm s TYR 256 Ca 0.79 1.00 -0.29 0.00 0.64 0.00 0.00 57.07 59.22 3bjm s TYR 256 Cb -0.45 0.23 0.01 0.00 0.42 0.00 0.00 41.96 42.17 3bjm s TYR 256 CO 0.35 -1.00 1.21 -1.25 0.64 0.00 0.00 175.55 175.50 3bjm s PRO 257 N 2.75 3.96 0.75 4.97 0.04 -1.26 -4.59 135.00 141.62 3bjm s PRO 257 Ca 0.12 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 3bjm s PRO 257 Cb -0.12 -3.83 0.06 0.00 0.04 0.00 0.00 34.50 30.65 3bjm s PRO 257 CO -0.25 -1.05 1.11 0.15 0.04 0.00 0.00 177.00 176.99 3bjm s LYS 258 N 3.99 2.27 0.10 4.56 1.02 -1.26 -0.72 119.74 129.70 3bjm s LYS 258 Ca 0.52 0.10 -0.34 0.00 0.02 0.00 0.00 55.97 56.27 3bjm s LYS 258 Cb -0.14 -2.03 -0.13 0.00 -0.52 0.00 0.00 37.83 35.00 3bjm s LYS 258 CO 0.21 -1.34 1.67 0.00 -0.92 0.00 0.00 175.35 174.96 3bjm n ALA 259 N -3.12 1.33 -0.22 5.17 0.00 -0.41 -0.76 120.51 122.50 3bjm n ALA 259 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3bjm n ALA 259 Cb 0.60 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 3.71 1.50 3.90 0.00 0.00 -1.26 -4.82 105.19 108.22 3bjm n GLY 260 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.85 2.56 0.13 4.61 0.00 0.06 -4.99 121.76 121.27 3bjm s ALA 261 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 3bjm s ALA 261 Cb 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 3bjm s ALA 261 CO 0.00 -1.83 1.66 0.08 0.00 0.00 0.00 175.76 175.67 3bjm s VAL 262 N -3.63 2.70 0.23 0.00 1.01 -1.26 -4.90 120.40 114.54 3bjm s VAL 262 Ca 0.64 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3bjm s VAL 262 Cb -0.10 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3bjm s VAL 262 CO 0.50 0.01 0.43 0.20 0.00 0.00 0.00 175.10 176.24 3bjm s ASN 263 N 1.87 6.39 0.66 3.32 0.02 -1.26 -4.34 114.94 121.60 3bjm s ASN 263 Ca 0.74 0.46 -0.17 0.00 -1.02 0.00 0.00 52.86 52.86 3bjm s ASN 263 Cb -0.43 -2.03 -0.02 0.00 0.02 0.00 0.00 41.25 38.79 3bjm s ASN 263 CO 0.32 -0.09 1.07 -0.81 0.02 0.00 0.00 177.10 177.62 3bjm n PRO 264 N -0.79 0.83 -4.10 -0.60 -0.04 -1.26 -4.81 135.00 124.23 3bjm n PRO 264 Ca -0.04 0.33 -0.25 0.00 -0.04 0.00 0.00 63.50 63.50 3bjm n PRO 264 Cb 0.54 -2.31 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 3bjm n PRO 264 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3bjm s THR 265 N -1.57 4.39 0.05 0.52 -4.23 -0.66 -4.92 115.64 109.23 3bjm s THR 265 Ca 0.78 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3bjm s THR 265 Cb -0.38 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 3bjm s THR 265 CO 0.45 -0.17 -0.12 0.54 -0.54 0.00 0.00 174.62 174.78 3bjm s VAL 266 N -1.85 0.93 0.09 2.29 0.11 -1.26 -0.43 120.40 120.28 3bjm s VAL 266 Ca 0.31 -1.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 3bjm s VAL 266 Cb -0.09 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3bjm s VAL 266 CO 0.23 -0.21 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.16 3bjm s LYS 267 N -1.51 0.82 -0.04 1.54 1.02 -0.08 -4.97 119.74 116.52 3bjm s LYS 267 Ca -0.03 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.87 3bjm s LYS 267 Cb -0.09 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.72 3bjm s LYS 267 CO 0.01 0.07 -0.19 0.12 -0.92 0.00 0.00 175.35 174.45 3bjm s PHE 268 N -2.44 1.83 0.07 3.18 5.36 -1.26 -0.49 117.98 124.23 3bjm s PHE 268 Ca 0.05 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 3bjm s PHE 268 Cb -0.03 -1.22 -0.03 0.00 -0.34 0.00 0.00 43.02 41.40 3bjm s PHE 268 CO -0.00 -0.16 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.46 3bjm s PHE 269 N -0.05 0.82 -0.04 10.12 0.08 -0.24 -0.43 117.98 128.25 3bjm s PHE 269 Ca -0.03 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.38 3bjm s PHE 269 Cb -0.11 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.89 3bjm s PHE 269 CO 0.02 -0.08 -0.01 0.08 -0.10 0.00 0.00 175.22 175.13 3bjm s VAL 270 N -2.20 0.26 0.04 -0.44 1.01 0.07 -1.19 120.40 117.96 3bjm s VAL 270 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3bjm s VAL 270 Cb -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3bjm s VAL 270 CO -0.01 0.18 -0.19 -0.69 0.00 0.00 0.00 175.10 174.39 3bjm s VAL 271 N 1.17 2.75 -0.42 2.92 1.01 -0.11 -1.51 120.40 126.21 3bjm s VAL 271 Ca -0.08 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 3bjm s VAL 271 Cb -0.13 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3bjm s VAL 271 CO -0.02 0.33 0.70 0.21 0.00 0.00 0.00 175.10 176.32 3bjm s ASN 272 N -1.44 6.38 0.00 3.32 3.84 -1.26 -1.09 114.94 124.69 3bjm s ASN 272 Ca 0.14 -0.14 0.29 0.00 0.21 0.00 0.00 52.86 53.36 3bjm s ASN 272 Cb -0.10 -2.35 1.24 0.00 -0.55 0.00 0.00 41.25 39.49 3bjm s ASN 272 CO 0.05 -0.79 1.90 1.07 -2.79 0.00 0.00 177.10 176.53 3bjm n THR 273 N 5.90 0.00 0.65 -5.21 5.66 0.59 -3.00 114.28 118.88 3bjm n THR 273 Ca 0.00 -0.01 0.12 0.00 -3.05 0.00 0.00 64.05 61.11 3bjm n THR 273 Cb 0.48 -0.33 0.26 0.00 -1.55 0.00 0.00 70.33 69.19 3bjm n THR 273 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3bjm n ASP 274 N -1.33 0.67 -0.80 1.09 8.00 -1.25 -4.11 116.55 118.82 3bjm n ASP 274 Ca 0.10 0.22 0.02 0.00 0.71 0.00 0.00 54.79 55.85 3bjm n ASP 274 Cb 0.30 -0.11 0.20 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.06 2.19 -4.77 -2.24 3.41 -1.16 -5.04 113.62 103.95 3bjm n SER 275 Ca 0.04 -3.74 -0.38 0.00 -0.26 0.00 0.00 58.87 54.53 3bjm n SER 275 Cb 0.42 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.19 4.29 -0.00 1.04 1.43 -1.26 -5.01 118.68 115.98 3bjm s LEU 276 Ca 0.40 2.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.78 3bjm s LEU 276 Cb 0.38 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3bjm s LEU 276 CO -0.03 -0.44 -0.23 -0.55 0.23 0.00 0.00 176.35 175.34 3bjm s SER 277 N -1.22 3.33 0.32 2.29 0.15 -1.26 -5.02 113.70 112.29 3bjm s SER 277 Ca 0.53 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.75 3bjm s SER 277 Cb -0.28 -0.44 0.54 0.00 -1.71 0.00 0.00 66.02 64.13 3bjm s SER 277 CO 0.35 0.30 1.90 0.28 1.20 0.00 0.00 173.24 177.28 3bjm h SER 278 N 5.18 0.67 -0.00 5.45 0.02 -2.00 -3.26 113.55 119.62 3bjm h SER 278 Ca -0.45 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3bjm h SER 278 Cb 1.13 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3bjm h SER 278 CO 0.47 0.62 -0.48 1.33 -1.14 0.00 0.00 176.83 177.63 3bjm n VAL 279 N -4.33 0.00 -4.63 2.27 0.24 -1.26 -4.94 118.33 105.68 3bjm n VAL 279 Ca 0.04 -0.26 -0.33 0.00 -2.04 0.00 0.00 64.34 61.75 3bjm n VAL 279 Cb 0.17 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.41 3bjm n VAL 279 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3bjm s THR 280 N -1.96 3.41 0.48 3.34 2.01 -1.23 -5.10 115.64 116.60 3bjm s THR 280 Ca 0.04 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 3bjm s THR 280 Cb 0.08 -2.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.05 3bjm s THR 280 CO 0.42 0.52 1.03 0.59 -0.69 0.00 0.00 174.62 176.49 3bjm n ASN 281 N 3.38 1.28 -4.79 3.53 3.02 -1.26 -4.08 115.26 116.34 3bjm n ASN 281 Ca -0.18 0.96 -0.36 0.00 -0.03 0.00 0.00 54.58 54.98 3bjm n ASN 281 Cb 0.53 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.27 3bjm n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bjm s ALA 282 N -1.35 3.03 -0.24 5.41 0.00 -1.26 -4.89 121.76 122.46 3bjm s ALA 282 Ca 0.67 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 3bjm s ALA 282 Cb -0.50 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3bjm s ALA 282 CO 0.54 -0.18 0.10 0.99 0.00 0.00 0.00 175.76 177.21 3bjm s THR 283 N -1.79 4.73 -0.16 0.00 2.01 -1.26 -4.99 115.64 114.17 3bjm s THR 283 Ca 0.60 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 3bjm s THR 283 Cb -0.19 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3bjm s THR 283 CO 0.24 0.35 0.20 -0.44 -0.69 0.00 0.00 174.62 174.28 3bjm s SER 284 N 1.28 6.36 -0.19 3.53 0.01 -1.26 -4.49 113.70 118.93 3bjm s SER 284 Ca 0.06 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.56 3bjm s SER 284 Cb -0.15 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 3bjm s SER 284 CO 0.05 0.21 0.46 -0.63 0.41 0.00 0.00 173.24 173.74 3bjm s ILE 285 N 0.04 5.15 0.35 1.44 1.09 -0.57 -4.88 121.20 123.82 3bjm s ILE 285 Ca 0.13 0.85 -0.25 0.00 -1.10 0.00 0.00 60.65 60.28 3bjm s ILE 285 Cb -0.12 -3.79 -0.10 0.00 -1.06 0.00 0.00 42.46 37.39 3bjm s ILE 285 CO 0.02 0.22 0.96 -1.58 -0.10 0.00 0.00 174.94 174.46 3bjm s GLN 286 N 1.42 4.49 -0.21 2.79 0.74 -1.26 -0.75 119.66 126.89 3bjm s GLN 286 Ca 0.22 1.32 0.01 0.00 0.05 0.00 0.00 55.36 56.96 3bjm s GLN 286 Cb -0.15 -2.68 0.03 0.00 1.10 0.00 0.00 33.01 31.31 3bjm s GLN 286 CO 0.09 0.19 -0.17 0.42 -0.55 0.00 0.00 175.29 175.27 3bjm s ILE 287 N -1.71 2.17 0.31 -2.34 1.01 0.43 -4.91 121.20 116.17 3bjm s ILE 287 Ca 0.53 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 3bjm s ILE 287 Cb -0.18 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.18 3bjm s ILE 287 CO 0.23 0.37 0.81 -0.89 0.00 0.00 0.00 174.94 175.46 3bjm s THR 288 N 1.25 4.51 0.79 2.92 2.01 -1.26 -4.18 115.64 121.68 3bjm s THR 288 Ca 0.01 1.30 -0.12 0.00 0.31 0.00 0.00 61.69 63.19 3bjm s THR 288 Cb -0.15 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.68 3bjm s THR 288 CO -0.10 -0.03 1.13 0.00 -0.69 0.00 0.00 174.62 174.93 3bjm s ALA 289 N -1.81 2.01 0.48 7.40 0.00 -1.26 -4.97 121.76 123.60 3bjm s ALA 289 Ca 0.51 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 3bjm s ALA 289 Cb -0.13 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 3bjm s ALA 289 CO 0.19 -2.04 1.36 -2.14 0.00 0.00 0.00 175.76 173.13 3bjm s PRO 290 N -4.51 3.55 0.49 0.00 0.02 -1.26 -4.80 135.00 128.49 3bjm s PRO 290 Ca 0.66 2.26 0.29 0.00 0.02 0.00 0.00 61.00 64.23 3bjm s PRO 290 Cb -0.22 -2.51 1.37 0.00 0.02 0.00 0.00 34.50 33.16 3bjm s PRO 290 CO 0.52 -0.87 1.82 0.00 -0.33 0.00 0.00 177.00 178.14 3bjm h ALA 291 N 2.06 2.72 0.00 -1.55 0.00 -1.98 0.44 119.26 120.94 3bjm h ALA 291 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3bjm h ALA 291 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3bjm h ALA 291 CO 0.60 -1.05 0.00 -1.13 0.00 0.00 0.00 179.25 177.66 3bjm n SER 292 N -4.36 0.41 -0.05 0.00 3.41 -1.26 -1.86 113.62 109.91 3bjm n SER 292 Ca 0.23 0.59 -0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3bjm n SER 292 Cb 1.02 -0.68 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 3bjm n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bjm n MET 293 N -1.95 0.67 0.08 4.33 2.00 0.15 -4.50 117.12 117.91 3bjm n MET 293 Ca 0.03 0.18 0.10 0.00 0.00 0.00 0.00 57.70 58.01 3bjm n MET 293 Cb 0.22 -1.66 0.43 0.00 0.00 0.00 0.00 33.22 32.21 3bjm n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3bjm n LEU 294 N -3.04 0.42 0.00 4.03 4.77 -0.78 -2.84 117.00 119.56 3bjm n LEU 294 Ca -0.28 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 3bjm n LEU 294 Cb 1.08 -0.52 0.54 0.00 -2.33 0.00 0.00 43.42 42.18 3bjm n LEU 294 CO 0.42 -0.39 0.76 2.30 -1.33 0.00 0.00 177.39 179.15 3bjm n ILE 295 N -1.95 0.00 -3.87 -0.08 -5.35 -1.14 -4.90 119.36 102.07 3bjm n ILE 295 Ca 0.03 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.52 3bjm n ILE 295 Cb 0.23 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 0.42 0.56 3.77 3.28 0.00 -1.13 -5.14 105.19 106.95 3bjm n GLY 296 Ca 0.14 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.73 6.48 0.18 1.61 1.01 -1.26 -4.97 116.67 117.99 3bjm s ASP 297 Ca 0.08 2.62 -0.19 0.00 0.71 0.00 0.00 52.55 55.76 3bjm s ASP 297 Cb -0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.33 3bjm s ASP 297 CO -0.00 -0.73 0.54 -1.38 0.21 0.00 0.00 175.17 173.81 3bjm s HIS 298 N -1.25 -0.26 0.02 4.23 -3.43 -1.26 -1.62 115.29 111.73 3bjm s HIS 298 Ca 0.55 -0.06 0.07 0.00 -0.80 0.00 0.00 55.06 54.82 3bjm s HIS 298 Cb -0.37 0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 3bjm s HIS 298 CO 0.49 -0.89 -0.22 0.71 -2.00 0.00 0.00 174.74 172.83 3bjm s TYR 299 N -3.83 1.96 -0.22 0.38 2.02 0.27 -4.84 117.35 113.09 3bjm s TYR 299 Ca 0.06 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 3bjm s TYR 299 Cb -0.01 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3bjm s TYR 299 CO -0.06 0.05 0.99 -1.17 -1.57 0.00 0.00 175.55 173.78 3bjm s LEU 300 N -0.94 4.11 -0.00 -1.29 1.98 -1.26 -0.23 118.68 121.06 3bjm s LEU 300 Ca 0.09 1.32 0.00 0.00 -2.89 0.00 0.00 54.13 52.64 3bjm s LEU 300 Cb -0.09 -3.46 -0.00 0.00 0.66 0.00 0.00 46.19 43.30 3bjm s LEU 300 CO 0.01 -0.61 0.01 0.00 -1.89 0.00 0.00 176.35 173.86 3bjm s ASP 302 N -1.55 -0.34 -0.07 0.00 -1.08 -1.11 -4.87 116.67 107.64 3bjm s ASP 302 Ca -0.00 0.65 0.01 0.00 -0.52 0.00 0.00 52.55 52.69 3bjm s ASP 302 Cb 0.00 0.65 0.02 0.00 -1.46 0.00 0.00 42.92 42.13 3bjm s ASP 302 CO 0.01 -0.12 -0.07 -0.69 0.52 0.00 0.00 175.17 174.82 3bjm s VAL 303 N 0.27 0.79 -0.17 1.11 1.01 -1.26 -1.09 120.40 121.05 3bjm s VAL 303 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3bjm s VAL 303 Cb -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.63 3bjm s VAL 303 CO -0.01 0.30 0.37 -0.89 0.00 0.00 0.00 175.10 174.87 3bjm s THR 304 N 1.16 -0.48 0.12 3.92 2.01 -0.41 -5.01 115.64 116.96 3bjm s THR 304 Ca -0.06 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3bjm s THR 304 Cb -0.14 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3bjm s THR 304 CO -0.01 0.08 1.22 0.26 -0.69 0.00 0.00 174.62 175.47 3bjm s TRP 305 N 2.34 3.42 -0.19 4.92 0.52 -1.26 0.14 118.94 128.82 3bjm s TRP 305 Ca -0.02 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.35 3bjm s TRP 305 Cb -0.11 -3.45 -0.21 0.00 -1.15 0.00 0.00 33.47 28.54 3bjm s TRP 305 CO -0.12 -1.36 0.10 0.00 0.02 0.00 0.00 176.95 175.60 3bjm n ALA 306 N 3.29 1.08 -3.00 0.98 0.00 0.14 -4.90 120.51 118.09 3bjm n ALA 306 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3bjm n ALA 306 Cb 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.58 0.00 0.32 0.00 -2.24 -1.09 -4.53 114.28 103.16 3bjm n THR 307 Ca -0.38 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.60 3bjm n THR 307 Cb 0.98 0.00 1.07 0.00 -2.10 0.00 0.00 70.33 70.28 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 -3.24 115.11 110.20 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 0.01 -0.11 0.39 -0.95 0.00 0.00 178.83 178.17 3bjm n GLU 309 N -3.17 0.74 -4.13 1.46 1.02 -1.26 -4.91 120.64 110.39 3bjm n GLU 309 Ca -0.02 -1.02 -0.21 0.00 -0.02 0.00 0.00 57.16 55.89 3bjm n GLU 309 Cb 0.13 -0.70 -0.16 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.48 0.85 -0.04 3.49 3.52 -1.22 -1.25 118.95 123.82 3bjm s ARG 310 Ca 0.03 -0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.59 3bjm s ARG 310 Cb 0.03 -0.89 -0.02 0.00 -1.56 0.00 0.00 34.95 32.50 3bjm s ARG 310 CO 0.00 -0.11 -0.21 0.42 -0.81 0.00 0.00 175.30 174.60 3bjm s ILE 311 N 1.04 2.48 -0.19 4.11 1.01 -0.52 0.25 121.20 129.39 3bjm s ILE 311 Ca -0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 3bjm s ILE 311 Cb -0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3bjm s ILE 311 CO -0.01 0.58 0.02 -0.55 0.00 0.00 0.00 174.94 174.99 3bjm s SER 312 N -0.55 5.18 -0.06 3.58 0.15 0.12 -1.27 113.70 120.84 3bjm s SER 312 Ca 0.08 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.71 3bjm s SER 312 Cb -0.11 -1.88 -0.00 0.00 -1.71 0.00 0.00 66.02 62.31 3bjm s SER 312 CO 0.00 0.12 -0.22 -0.76 1.20 0.00 0.00 173.24 173.59 3bjm s LEU 313 N 0.65 2.00 -0.11 3.45 1.43 0.10 -1.29 118.68 124.92 3bjm s LEU 313 Ca 0.01 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3bjm s LEU 313 Cb -0.14 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3bjm s LEU 313 CO 0.02 0.19 -0.09 -1.10 0.23 0.00 0.00 176.35 175.60 3bjm s GLN 314 N 0.05 3.16 0.19 1.70 -0.21 -0.25 0.72 119.66 125.02 3bjm s GLN 314 Ca -0.08 -0.60 0.11 0.00 0.02 0.00 0.00 55.36 54.82 3bjm s GLN 314 Cb -0.14 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 3bjm s GLN 314 CO 0.04 0.41 -0.22 -1.58 -2.12 0.00 0.00 175.29 171.83 3bjm s TRP 315 N -0.14 2.35 -0.03 0.91 0.52 0.34 -0.65 118.94 122.24 3bjm s TRP 315 Ca 0.01 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 55.78 3bjm s TRP 315 Cb -0.13 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.05 3bjm s TRP 315 CO 0.03 0.50 0.05 -1.17 0.02 0.00 0.00 176.95 176.38 3bjm s LEU 316 N -2.67 1.01 0.72 2.99 2.96 0.69 -1.48 118.68 122.89 3bjm s LEU 316 Ca 0.21 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 54.07 3bjm s LEU 316 Cb -0.08 0.00 0.03 0.00 0.50 0.00 0.00 46.19 46.64 3bjm s LEU 316 CO 0.10 -0.13 1.11 -0.13 -1.32 0.00 0.00 176.35 175.98 3bjm s ARG 317 N 1.10 2.45 0.27 1.98 0.52 -0.89 0.94 118.95 125.32 3bjm s ARG 317 Ca -0.09 1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 56.43 3bjm s ARG 317 Cb -0.13 -1.91 0.36 0.00 0.52 0.00 0.00 34.95 33.80 3bjm s ARG 317 CO -0.03 -1.52 1.94 -0.09 0.02 0.00 0.00 175.30 175.62 3bjm h ARG 318 N -0.52 1.20 -6.52 3.54 2.43 -1.64 -3.25 114.38 109.62 3bjm h ARG 318 Ca -0.45 -0.07 -0.57 0.00 -0.81 0.00 0.00 59.98 58.08 3bjm h ARG 318 Cb 1.25 -0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 30.46 3bjm h ARG 318 CO 0.52 0.79 0.89 0.42 -1.51 0.00 0.00 179.97 181.08 3bjm s ILE 319 N -6.02 4.35 -0.43 1.20 1.01 -1.26 -4.78 121.20 115.27 3bjm s ILE 319 Ca -0.12 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 3bjm s ILE 319 Cb 0.18 -4.52 0.25 0.00 0.01 0.00 0.00 42.46 38.39 3bjm s ILE 319 CO 0.81 -0.76 2.12 0.00 0.00 0.00 0.00 174.94 177.11 3bjm n GLN 320 N 7.38 2.10 -0.19 2.79 6.02 -1.23 -3.92 117.38 130.34 3bjm n GLN 320 Ca 0.12 -2.10 0.06 0.00 -0.01 0.00 0.00 57.00 55.07 3bjm n GLN 320 Cb 0.48 -1.85 0.16 0.00 1.02 0.00 0.00 30.24 30.05 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 0.12 2.98 -3.67 1.08 0.23 -1.26 -1.12 115.26 113.62 3bjm n ASN 321 Ca 0.40 -2.04 -0.11 0.00 -0.53 0.00 0.00 54.58 52.30 3bjm n ASN 321 Cb 0.58 -0.25 -0.11 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.08 -0.61 0.06 -2.53 5.04 -1.25 -1.22 117.35 115.76 3bjm s TYR 322 Ca 0.24 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 3bjm s TYR 322 Cb 0.13 0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.55 3bjm s TYR 322 CO 0.16 -0.41 -0.05 -1.54 -1.34 0.00 0.00 175.55 172.37 3bjm s SER 323 N 2.40 0.67 -0.06 4.32 1.04 -0.04 -2.10 113.70 119.92 3bjm s SER 323 Ca -0.01 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.59 3bjm s SER 323 Cb -0.12 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3bjm s SER 323 CO -0.11 -0.45 -0.14 -0.69 0.98 0.00 0.00 173.24 172.83 3bjm s VAL 324 N -3.04 1.24 -0.24 5.02 1.01 -0.55 -1.07 120.40 122.76 3bjm s VAL 324 Ca 0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3bjm s VAL 324 Cb 0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3bjm s VAL 324 CO -0.06 0.38 0.27 -0.32 0.00 0.00 0.00 175.10 175.37 3bjm s MET 325 N 0.54 4.06 -0.13 2.72 1.75 0.53 -0.51 119.30 128.27 3bjm s MET 325 Ca -0.13 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.16 3bjm s MET 325 Cb -0.15 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 33.90 3bjm s MET 325 CO 0.04 -0.08 0.07 0.34 -0.65 0.00 0.00 175.02 174.74 3bjm s ASP 326 N 1.29 5.74 -0.21 1.11 -1.08 0.22 -1.83 116.67 121.91 3bjm s ASP 326 Ca 0.12 0.23 0.01 0.00 -0.52 0.00 0.00 52.55 52.39 3bjm s ASP 326 Cb -0.15 -1.84 0.03 0.00 -1.46 0.00 0.00 42.92 39.51 3bjm s ASP 326 CO 0.08 0.32 -0.16 -0.63 0.52 0.00 0.00 175.17 175.29 3bjm s ILE 327 N -0.48 2.18 -0.11 4.11 1.01 -1.26 -0.72 121.20 125.93 3bjm s ILE 327 Ca 0.10 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.63 3bjm s ILE 327 Cb -0.12 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.31 3bjm s ILE 327 CO 0.02 0.33 -0.21 0.00 0.00 0.00 0.00 174.94 175.08 3bjm s ASP 329 N 0.56 5.08 0.00 0.00 1.11 0.27 -1.43 116.67 122.26 3bjm s ASP 329 Ca -0.14 -0.05 -0.30 0.00 0.18 0.00 0.00 52.55 52.23 3bjm s ASP 329 Cb -0.17 -1.30 -0.03 0.00 1.07 0.00 0.00 42.92 42.49 3bjm s ASP 329 CO 0.05 0.25 1.00 -0.47 1.18 0.00 0.00 175.17 177.18 3bjm s TYR 330 N -1.14 3.63 -0.58 4.23 5.04 -0.38 -1.61 117.35 126.54 3bjm s TYR 330 Ca 0.21 1.66 -0.16 0.00 -2.44 0.00 0.00 57.07 56.34 3bjm s TYR 330 Cb -0.12 -3.15 0.14 0.00 0.35 0.00 0.00 41.96 39.18 3bjm s TYR 330 CO 0.12 -0.15 0.53 0.34 -1.34 0.00 0.00 175.55 175.06 3bjm s ASP 331 N 1.02 6.25 0.54 4.32 2.15 0.27 -4.93 116.67 126.30 3bjm s ASP 331 Ca 0.53 -1.91 0.36 0.00 0.43 0.00 0.00 52.55 51.96 3bjm s ASP 331 Cb -0.22 -2.21 1.84 0.00 -0.30 0.00 0.00 42.92 42.04 3bjm s ASP 331 CO 0.28 -0.82 2.10 1.05 -0.17 0.00 0.00 175.17 177.61 3bjm h GLU 332 N 8.73 0.00 0.07 4.34 9.09 -1.95 0.96 114.58 135.83 3bjm h GLU 332 Ca -0.24 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.04 3bjm h GLU 332 Cb 1.09 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.20 3bjm h GLU 332 CO 1.00 0.00 -0.60 1.03 0.05 0.00 0.00 179.01 180.49 3bjm h SER 333 N 0.00 0.24 0.94 3.06 0.87 -1.95 -3.34 113.55 113.37 3bjm h SER 333 Ca 0.00 -0.93 -0.14 0.00 -1.23 0.00 0.00 61.79 59.49 3bjm h SER 333 Cb 0.15 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3bjm h SER 333 CO 0.00 1.27 -0.69 -1.28 -0.53 0.00 0.00 176.83 175.61 3bjm h SER 334 N -0.66 0.00 -0.07 6.23 0.87 -1.71 -3.46 113.55 114.75 3bjm h SER 334 Ca -0.12 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3bjm h SER 334 Cb 1.38 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 3bjm h SER 334 CO 0.05 0.69 -0.03 0.61 -0.53 0.00 0.00 176.83 177.62 3bjm n GLY 335 N 0.79 0.44 3.86 5.77 0.00 0.32 -5.01 105.19 111.36 3bjm n GLY 335 Ca -0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3bjm n GLY 335 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bjm s ARG 336 N -1.13 2.44 -0.12 1.61 3.52 -1.18 -4.90 118.95 119.19 3bjm s ARG 336 Ca 0.00 -1.66 0.03 0.00 -0.13 0.00 0.00 55.73 53.97 3bjm s ARG 336 Cb 0.00 -2.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3bjm s ARG 336 CO 0.00 -0.26 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.44 3bjm s TRP 337 N -2.54 2.64 -0.02 5.12 0.52 -1.26 -0.57 118.94 122.84 3bjm s TRP 337 Ca 0.45 -1.04 0.08 0.00 0.02 0.00 0.00 56.10 55.61 3bjm s TRP 337 Cb -0.02 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 3bjm s TRP 337 CO 0.26 -0.43 -0.26 -0.80 0.02 0.00 0.00 176.95 175.75 3bjm s ASN 338 N 0.48 3.01 -0.28 2.95 0.01 -0.63 -4.93 114.94 115.54 3bjm s ASN 338 Ca -0.14 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 3bjm s ASN 338 Cb -0.17 -0.33 0.05 0.00 0.41 0.00 0.00 41.25 41.21 3bjm s ASN 338 CO 0.05 0.31 -0.05 0.00 -1.51 0.00 0.00 177.10 175.90 3bjm s LEU 340 N 1.18 4.36 0.36 0.00 1.02 -1.24 -4.91 118.68 119.45 3bjm s LEU 340 Ca -0.07 2.20 0.05 0.00 0.02 0.00 0.00 54.13 56.32 3bjm s LEU 340 Cb -0.20 -3.58 0.68 0.00 0.02 0.00 0.00 46.19 43.12 3bjm s LEU 340 CO -0.03 -0.61 1.96 0.58 0.02 0.00 0.00 176.35 178.27 3bjm h VAL 341 N 4.44 1.16 -0.89 -1.59 2.07 -1.98 -0.54 116.25 118.92 3bjm h VAL 341 Ca -0.41 -0.50 0.19 0.00 0.82 0.00 0.00 66.70 66.80 3bjm h VAL 341 Cb 1.21 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3bjm h VAL 341 CO 0.85 0.19 0.59 0.00 0.02 0.00 0.00 177.57 179.23 3bjm h ALA 342 N 1.59 2.13 -0.00 1.67 0.00 -1.98 -0.69 119.26 121.99 3bjm h ALA 342 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bjm h ALA 342 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bjm h ALA 342 CO -0.02 -0.41 -0.22 0.54 0.00 0.00 0.00 179.25 179.14 3bjm n ARG 343 N -4.53 0.08 -1.72 0.00 1.74 -0.22 -4.87 116.66 107.14 3bjm n ARG 343 Ca 0.19 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.85 3bjm n ARG 343 Cb 0.65 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.63 3bjm n ARG 343 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3bjm n GLN 344 N -1.44 1.64 -4.72 5.56 6.02 -0.27 -4.63 117.38 119.53 3bjm n GLN 344 Ca 0.07 0.60 -0.25 0.00 -0.01 0.00 0.00 57.00 57.41 3bjm n GLN 344 Cb 0.33 -2.48 -0.16 0.00 1.02 0.00 0.00 30.24 28.95 3bjm n GLN 344 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3bjm s HIS 345 N -1.30 1.59 -0.07 1.08 3.76 -0.76 -4.97 115.29 114.62 3bjm s HIS 345 Ca 0.70 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3bjm s HIS 345 Cb -0.44 -1.10 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 3bjm s HIS 345 CO 0.51 -0.21 -0.07 0.42 -0.85 0.00 0.00 174.74 174.54 3bjm s ILE 346 N 0.29 3.71 -0.09 0.60 1.01 -1.26 -0.35 121.20 125.11 3bjm s ILE 346 Ca -0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 3bjm s ILE 346 Cb -0.13 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3bjm s ILE 346 CO 0.03 0.60 -0.06 -0.70 0.00 0.00 0.00 174.94 174.81 3bjm s GLU 347 N -0.80 1.29 0.11 2.79 2.12 -0.24 -5.01 118.70 118.96 3bjm s GLU 347 Ca 0.12 -0.18 0.08 0.00 0.36 0.00 0.00 54.97 55.35 3bjm s GLU 347 Cb -0.11 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 3bjm s GLU 347 CO 0.01 -0.23 -0.20 -1.64 -0.54 0.00 0.00 175.26 172.66 3bjm s MET 348 N 1.59 1.12 -0.03 4.30 -1.94 -1.26 -0.86 119.30 122.23 3bjm s MET 348 Ca 0.02 -1.18 0.06 0.00 -1.71 0.00 0.00 55.69 52.88 3bjm s MET 348 Cb -0.13 -1.34 -0.01 0.00 2.01 0.00 0.00 34.83 35.36 3bjm s MET 348 CO -0.06 0.31 -0.21 0.45 -0.01 0.00 0.00 175.02 175.50 3bjm s SER 349 N -2.00 2.49 -0.14 3.03 0.15 -0.36 -4.99 113.70 111.88 3bjm s SER 349 Ca 0.07 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.50 3bjm s SER 349 Cb -0.09 -0.41 -0.25 0.00 -1.71 0.00 0.00 66.02 63.56 3bjm s SER 349 CO 0.04 0.24 0.26 0.41 1.20 0.00 0.00 173.24 175.39 3bjm n THR 350 N 2.72 1.31 0.01 6.45 -1.04 -1.26 -4.58 114.28 117.88 3bjm n THR 350 Ca -0.16 -0.81 -0.00 0.00 -2.04 0.00 0.00 64.05 61.04 3bjm n THR 350 Cb 0.53 -0.55 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 3bjm n THR 350 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3bjm n THR 351 N -2.78 1.09 0.00 12.58 -1.04 -1.26 -5.02 114.28 117.85 3bjm n THR 351 Ca -0.26 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.05 3bjm n THR 351 Cb 1.08 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3bjm n THR 351 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bjm n GLY 352 N 1.43 1.10 3.68 3.41 0.00 -1.26 -4.82 105.19 108.73 3bjm n GLY 352 Ca -0.12 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 2.36 2.20 -0.15 1.61 -2.14 -1.26 -4.60 118.94 116.96 3bjm s TRP 353 Ca 0.00 -0.81 -0.22 0.00 2.66 0.00 0.00 56.10 57.73 3bjm s TRP 353 Cb 0.00 -1.69 -0.03 0.00 -3.10 0.00 0.00 33.47 28.66 3bjm s TRP 353 CO 0.00 0.33 0.66 0.08 -2.66 0.00 0.00 176.95 175.37 3bjm s VAL 354 N -2.80 5.02 0.18 -0.66 1.01 -0.28 -4.78 120.40 118.09 3bjm s VAL 354 Ca 0.22 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3bjm s VAL 354 Cb 0.06 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3bjm s VAL 354 CO 0.11 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3bjm n GLY 355 N 3.52 -2.03 0.31 4.51 0.00 -1.26 -3.48 105.19 106.77 3bjm n GLY 355 Ca -0.01 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.55 -0.71 -0.00 1.61 3.08 -1.95 -3.37 114.38 112.49 3bjm h ARG 356 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3bjm h ARG 356 Cb 0.54 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3bjm h ARG 356 CO 0.02 -0.40 -0.18 1.19 -1.07 0.00 0.00 179.97 179.52 3bjm n PHE 357 N -5.30 0.00 0.00 3.04 3.72 -1.26 -4.92 117.46 112.74 3bjm n PHE 357 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3bjm n PHE 357 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3bjm n PHE 357 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3bjm n ARG 358 N -0.86 0.00 -1.66 -1.08 1.85 -1.24 -5.03 116.66 108.64 3bjm n ARG 358 Ca 0.01 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 3bjm n ARG 358 Cb 0.08 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.49 3bjm n ARG 358 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3bjm n PRO 359 N -0.09 1.85 -1.86 2.89 -0.02 -1.23 -4.19 135.00 132.36 3bjm n PRO 359 Ca 0.00 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 3bjm n PRO 359 Cb 0.00 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.42 5.64 0.17 2.55 1.04 -1.26 -4.96 113.70 116.46 3bjm s SER 360 Ca 0.57 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 58.43 3bjm s SER 360 Cb -0.60 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 62.92 3bjm s SER 360 CO 0.61 -1.27 1.12 -0.70 0.98 0.00 0.00 173.24 173.98 3bjm s GLU 361 N -4.45 4.57 0.14 4.02 2.12 -1.26 -4.94 118.70 118.90 3bjm s GLU 361 Ca 0.61 1.75 -0.18 0.00 0.36 0.00 0.00 54.97 57.51 3bjm s GLU 361 Cb -0.15 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 3bjm s GLU 361 CO 0.44 0.03 0.61 -1.25 -0.54 0.00 0.00 175.26 174.55 3bjm s PRO 362 N -0.29 4.16 -0.31 4.30 0.04 -1.26 -4.61 135.00 137.03 3bjm s PRO 362 Ca 0.50 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 3bjm s PRO 362 Cb -0.30 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.24 3bjm s PRO 362 CO 0.35 0.52 0.02 -1.01 0.04 0.00 0.00 177.00 176.92 3bjm s HIS 363 N -1.33 3.25 0.16 0.56 3.76 0.30 -4.93 115.29 117.07 3bjm s HIS 363 Ca 0.36 -1.77 -0.28 0.00 -0.15 0.00 0.00 55.06 53.22 3bjm s HIS 363 Cb -0.18 -2.14 -0.08 0.00 1.11 0.00 0.00 32.58 31.30 3bjm s HIS 363 CO 0.20 -0.79 0.86 -0.06 -0.85 0.00 0.00 174.74 174.11 3bjm s PHE 364 N 1.29 3.89 0.97 1.40 0.40 -1.26 -0.75 117.98 123.92 3bjm s PHE 364 Ca -0.04 1.73 -0.12 0.00 -0.60 0.00 0.00 56.93 57.90 3bjm s PHE 364 Cb -0.20 -2.90 0.14 0.00 0.51 0.00 0.00 43.02 40.57 3bjm s PHE 364 CO -0.00 0.41 0.88 0.25 0.70 0.00 0.00 175.22 177.45 3bjm n THR 365 N 1.95 0.00 -0.23 0.64 -2.24 -0.72 -4.88 114.28 108.80 3bjm n THR 365 Ca -0.03 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.77 3bjm n THR 365 Cb 0.48 -0.88 0.43 0.00 -2.10 0.00 0.00 70.33 68.27 3bjm n THR 365 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3bjm h LEU 366 N -1.93 0.54 -0.01 3.22 5.85 -1.92 -1.67 115.31 119.39 3bjm h LEU 366 Ca -0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3bjm h LEU 366 Cb 1.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3bjm h LEU 366 CO 0.40 0.27 -0.26 -0.90 -0.34 0.00 0.00 178.44 177.61 3bjm n ASP 367 N -4.53 0.28 0.00 1.25 5.68 -1.26 -4.93 116.55 113.04 3bjm n ASP 367 Ca 0.17 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 3bjm n ASP 367 Cb 0.52 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3bjm n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bjm n GLY 368 N 1.49 0.73 0.13 6.12 0.00 -0.63 -4.89 105.19 108.13 3bjm n GLY 368 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.96 -3.75 1.61 3.02 -1.26 -4.94 115.26 110.89 3bjm n ASN 369 Ca 0.00 -0.76 -0.12 0.00 -0.03 0.00 0.00 54.58 53.67 3bjm n ASN 369 Cb 0.00 0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.81 0.39 0.16 6.41 1.04 -1.26 -1.65 113.70 115.98 3bjm s SER 370 Ca 0.15 -1.27 -0.24 0.00 0.48 0.00 0.00 55.95 55.06 3bjm s SER 370 Cb 0.18 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.92 3bjm s SER 370 CO 0.68 -1.12 0.83 0.72 0.98 0.00 0.00 173.24 175.32 3bjm s PHE 371 N -3.68 -0.26 -0.00 5.02 -0.71 -0.73 -1.76 117.98 115.86 3bjm s PHE 371 Ca 0.30 -0.04 0.08 0.00 -1.04 0.00 0.00 56.93 56.23 3bjm s PHE 371 Cb 0.01 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.43 3bjm s PHE 371 CO 0.14 -0.88 -0.25 0.71 -1.34 0.00 0.00 175.22 173.61 3bjm s TYR 372 N -3.49 2.20 0.15 3.49 1.51 0.07 -0.98 117.35 120.30 3bjm s TYR 372 Ca 0.09 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 3bjm s TYR 372 Cb -0.02 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3bjm s TYR 372 CO -0.01 0.00 0.36 -1.59 -1.11 0.00 0.00 175.55 173.20 3bjm s LYS 373 N -0.75 1.13 -0.06 -0.62 -2.85 -0.66 -0.54 119.74 115.40 3bjm s LYS 373 Ca 0.10 -0.93 -0.27 0.00 -1.00 0.00 0.00 55.97 53.86 3bjm s LYS 373 Cb -0.10 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 3bjm s LYS 373 CO -0.00 -0.43 0.88 0.42 0.10 0.00 0.00 175.35 176.32 3bjm s ILE 374 N -3.88 4.91 0.02 3.79 1.01 -1.26 -0.33 121.20 125.46 3bjm s ILE 374 Ca 0.09 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.59 3bjm s ILE 374 Cb 0.02 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3bjm s ILE 374 CO -0.06 0.15 -0.07 -0.63 0.00 0.00 0.00 174.94 174.32 3bjm s ILE 375 N 1.24 0.54 0.03 2.92 -1.09 -0.42 -4.65 121.20 119.77 3bjm s ILE 375 Ca 0.46 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 3bjm s ILE 375 Cb -0.19 -0.53 -0.05 0.00 -1.58 0.00 0.00 42.46 40.10 3bjm s ILE 375 CO 0.22 -0.13 1.27 -0.55 -1.23 0.00 0.00 174.94 174.52 3bjm s SER 376 N -0.91 6.98 0.58 3.58 0.15 -1.26 -1.16 113.70 121.66 3bjm s SER 376 Ca -0.04 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.66 3bjm s SER 376 Cb -0.06 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3bjm s SER 376 CO 0.00 -0.58 0.00 -0.46 1.20 0.00 0.00 173.24 173.40 3bjm n ASN 377 N 4.51 0.00 0.21 5.45 2.04 0.60 -4.86 115.26 123.21 3bjm n ASN 377 Ca 0.11 -0.81 0.10 0.00 -0.44 0.00 0.00 54.58 53.54 3bjm n ASN 377 Cb 0.45 0.00 0.31 0.00 -2.53 0.00 0.00 39.78 38.01 3bjm n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3bjm h GLU 378 N 0.00 0.00 -0.01 -3.83 5.08 -1.96 -1.14 114.58 112.72 3bjm h GLU 378 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bjm h GLU 378 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bjm h GLU 378 CO 0.00 0.17 -0.05 0.39 -1.00 0.00 0.00 179.01 178.52 3bjm n GLU 379 N -3.20 1.43 -0.42 2.33 4.71 -1.26 -4.95 120.64 119.29 3bjm n GLU 379 Ca 0.02 -0.78 0.00 0.00 -0.01 0.00 0.00 57.16 56.39 3bjm n GLU 379 Cb 0.51 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 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 1.20 0.78 3.83 0.62 0.00 -0.43 -4.72 105.19 106.47 3bjm n GLY 380 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 3.60 -0.39 1.61 1.51 -1.26 -0.26 117.35 120.08 3bjm s TYR 381 Ca 0.00 0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 56.42 3bjm s TYR 381 Cb 0.00 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3bjm s TYR 381 CO 0.00 0.61 1.04 1.03 -1.11 0.00 0.00 175.55 177.11 3bjm s ARG 382 N -0.71 3.86 0.31 -0.62 0.52 -1.26 -0.29 118.95 120.76 3bjm s ARG 382 Ca 0.17 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 56.12 3bjm s ARG 382 Cb -0.13 -3.82 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 3bjm s ARG 382 CO 0.06 -1.07 0.08 -1.01 0.02 0.00 0.00 175.30 173.37 3bjm s HIS 383 N 3.83 1.81 -0.15 -0.53 3.76 -0.31 -0.63 115.29 123.07 3bjm s HIS 383 Ca 0.43 -1.06 -0.29 0.00 -0.15 0.00 0.00 55.06 53.99 3bjm s HIS 383 Cb -0.10 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 3bjm s HIS 383 CO 0.22 -0.13 1.04 0.42 -0.85 0.00 0.00 174.74 175.43 3bjm s ILE 384 N -3.44 4.70 -0.09 0.60 1.01 -1.26 -1.30 121.20 121.43 3bjm s ILE 384 Ca 0.36 2.00 0.01 0.00 0.00 0.00 0.00 60.65 63.02 3bjm s ILE 384 Cb 0.08 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3bjm s ILE 384 CO 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 174.94 174.90 3bjm s TYR 386 N -0.30 3.24 -0.05 0.00 5.04 0.23 -1.65 117.35 123.86 3bjm s TYR 386 Ca 0.03 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 3bjm s TYR 386 Cb -0.13 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 3bjm s TYR 386 CO 0.03 -0.18 -0.08 -0.06 -1.34 0.00 0.00 175.55 173.92 3bjm s PHE 387 N 1.86 2.89 -0.11 4.97 0.40 -0.15 -0.83 117.98 127.02 3bjm s PHE 387 Ca 0.11 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 3bjm s PHE 387 Cb -0.16 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 3bjm s PHE 387 CO 0.10 0.32 -0.07 -0.65 0.70 0.00 0.00 175.22 175.62 3bjm s GLN 388 N -0.91 3.18 0.44 0.44 -0.21 -1.26 -1.78 119.66 119.55 3bjm s GLN 388 Ca 0.13 -0.57 0.12 0.00 0.02 0.00 0.00 55.36 55.06 3bjm s GLN 388 Cb -0.11 -2.70 1.01 0.00 1.00 0.00 0.00 33.01 32.21 3bjm s GLN 388 CO 0.02 0.43 2.05 0.82 -2.12 0.00 0.00 175.29 176.50 3bjm h ILE 389 N 4.77 1.00 -0.48 1.08 2.04 -1.68 -0.39 117.51 123.85 3bjm h ILE 389 Ca -0.38 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3bjm h ILE 389 Cb 1.19 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3bjm h ILE 389 CO 0.56 0.07 0.00 0.47 0.00 0.00 0.00 178.15 179.26 3bjm n ASP 390 N -4.48 3.62 -4.92 1.72 8.00 -1.26 -4.52 116.55 114.70 3bjm n ASP 390 Ca 0.04 -2.00 -0.20 0.00 0.71 0.00 0.00 54.79 53.35 3bjm n ASP 390 Cb 0.19 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.36 2.75 -0.24 -1.24 -0.14 -0.16 -4.99 119.74 114.37 3bjm s LYS 391 Ca 0.42 -1.32 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 3bjm s LYS 391 Cb 0.24 -2.57 -0.16 0.00 -1.68 0.00 0.00 37.83 33.65 3bjm s LYS 391 CO 0.32 -0.11 -0.06 1.63 -0.76 0.00 0.00 175.35 176.38 3bjm n LYS 392 N -1.60 0.59 -4.11 1.68 5.02 -1.26 -4.79 118.16 113.69 3bjm n LYS 392 Ca 0.03 0.39 -0.24 0.00 -2.02 0.00 0.00 58.31 56.47 3bjm n LYS 392 Cb 0.60 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 3bjm n LYS 392 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bjm s ASP 393 N -7.14 5.44 0.48 4.39 1.01 -1.26 -4.98 116.67 114.61 3bjm s ASP 393 Ca -0.33 -0.22 0.08 0.00 0.71 0.00 0.00 52.55 52.79 3bjm s ASP 393 Cb 0.10 -1.38 0.03 0.00 1.01 0.00 0.00 42.92 42.69 3bjm s ASP 393 CO 0.56 0.02 0.61 0.00 0.21 0.00 0.00 175.17 176.56 3bjm s THR 395 N -2.51 1.85 0.14 0.00 2.01 -0.01 -4.88 115.64 112.25 3bjm s THR 395 Ca 0.55 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 3bjm s THR 395 Cb -0.07 -1.62 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 3bjm s THR 395 CO 0.33 0.51 1.10 -0.36 -0.69 0.00 0.00 174.62 175.52 3bjm s PHE 396 N 0.54 3.59 -0.03 4.92 0.08 -1.26 0.77 117.98 126.58 3bjm s PHE 396 Ca -0.15 1.57 0.15 0.00 0.12 0.00 0.00 56.93 58.62 3bjm s PHE 396 Cb -0.17 -3.28 -0.23 0.00 -0.57 0.00 0.00 43.02 38.77 3bjm s PHE 396 CO 0.05 -0.63 0.33 -0.89 -0.10 0.00 0.00 175.22 173.99 3bjm n ILE 397 N 2.73 0.00 -4.26 0.64 -0.00 0.30 -4.93 119.36 113.84 3bjm n ILE 397 Ca 0.04 -0.34 -0.15 0.00 -0.00 0.00 0.00 62.75 62.30 3bjm n ILE 397 Cb 0.47 0.17 -0.10 0.00 -0.00 0.00 0.00 39.64 40.17 3bjm n ILE 397 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3bjm s THR 398 N -3.04 1.24 0.24 1.39 -4.23 -1.24 -4.91 115.64 105.09 3bjm s THR 398 Ca -0.05 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.18 3bjm s THR 398 Cb 0.10 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 72.11 3bjm s THR 398 CO 0.63 -0.72 0.65 -1.59 -0.54 0.00 0.00 174.62 173.04 3bjm s LYS 399 N -3.71 1.60 0.00 3.99 -2.85 -1.26 -4.59 119.74 112.92 3bjm s LYS 399 Ca 0.17 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 3bjm s LYS 399 Cb 0.02 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3bjm s LYS 399 CO 0.01 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 175.16 3bjm n GLY 400 N -0.42 2.67 2.31 0.59 0.00 -1.26 -4.89 105.19 104.19 3bjm n GLY 400 Ca -0.08 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 3bjm n GLY 400 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bjm n THR 401 N -1.41 3.93 -3.87 2.61 -1.04 -1.26 -4.76 114.28 108.47 3bjm n THR 401 Ca 0.00 -2.81 -0.09 0.00 -2.04 0.00 0.00 64.05 59.11 3bjm n THR 401 Cb 0.00 -2.06 -0.00 0.00 -1.82 0.00 0.00 70.33 66.45 3bjm n THR 401 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3bjm s TRP 402 N 0.06 0.14 0.07 -1.42 1.48 -1.26 -5.04 118.94 112.96 3bjm s TRP 402 Ca 0.63 -0.68 0.07 0.00 -1.06 0.00 0.00 56.10 55.05 3bjm s TRP 402 Cb 0.27 0.66 -0.03 0.00 -1.16 0.00 0.00 33.47 33.21 3bjm s TRP 402 CO -0.09 -1.38 -0.19 -1.21 -4.06 0.00 0.00 176.95 170.02 3bjm s GLU 403 N -3.01 1.11 0.06 3.25 2.02 -1.26 -4.51 118.70 116.35 3bjm s GLU 403 Ca 0.16 -1.00 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 3bjm s GLU 403 Cb -0.05 -1.25 -0.05 0.00 0.10 0.00 0.00 34.13 32.88 3bjm s GLU 403 CO 0.11 0.30 1.08 0.08 0.02 0.00 0.00 175.26 176.84 3bjm s VAL 404 N -1.03 4.39 -0.14 2.63 1.01 0.19 -2.57 120.40 124.88 3bjm s VAL 404 Ca 0.05 1.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 3bjm s VAL 404 Cb -0.09 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.90 3bjm s VAL 404 CO 0.03 0.17 0.42 0.40 0.00 0.00 0.00 175.10 176.12 3bjm h ILE 405 N 4.47 0.91 -1.74 2.22 1.08 -0.38 -3.46 117.51 120.61 3bjm h ILE 405 Ca -0.42 -2.32 0.02 0.00 -0.39 0.00 0.00 64.86 61.75 3bjm h ILE 405 Cb 1.22 2.54 -0.21 0.00 -3.07 0.00 0.00 36.82 37.29 3bjm h ILE 405 CO 0.77 0.64 0.40 -0.83 -0.69 0.00 0.00 178.15 178.44 3bjm s GLY 406 N -5.08 -0.40 -0.22 5.37 0.00 -1.16 -4.99 107.32 100.84 3bjm s GLY 406 Ca -0.23 1.74 -0.19 0.00 0.00 0.00 0.00 44.72 46.04 3bjm s GLY 406 CO 0.72 1.01 0.54 -0.42 0.00 0.00 0.00 173.10 174.95 3bjm s ILE 407 N -1.13 5.07 -0.19 0.90 1.01 -1.26 -1.37 121.20 124.24 3bjm s ILE 407 Ca -0.06 0.99 0.13 0.00 0.00 0.00 0.00 60.65 61.72 3bjm s ILE 407 Cb -0.00 -3.86 -0.21 0.00 0.01 0.00 0.00 42.46 38.40 3bjm s ILE 407 CO 0.05 0.13 0.02 -0.62 0.00 0.00 0.00 174.94 174.52 3bjm n GLU 408 N 5.10 0.98 -3.48 2.79 -0.58 -0.03 -5.00 120.64 120.42 3bjm n GLU 408 Ca -0.04 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.58 3bjm n GLU 408 Cb 0.50 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.44 -1.55 -0.09 0.62 0.00 -1.10 -4.85 121.76 112.35 3bjm s ALA 409 Ca -0.13 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 3bjm s ALA 409 Cb 0.06 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.81 3bjm s ALA 409 CO 0.70 -0.63 0.18 -1.17 0.00 0.00 0.00 175.76 174.85 3bjm s LEU 410 N -2.27 0.14 0.00 0.00 2.96 -1.26 -0.60 118.68 117.66 3bjm s LEU 410 Ca -0.03 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3bjm s LEU 410 Cb -0.01 0.43 0.00 0.00 0.50 0.00 0.00 46.19 47.12 3bjm s LEU 410 CO -0.06 -0.21 0.04 0.35 -1.32 0.00 0.00 176.35 175.15 3bjm n THR 411 N 4.92 0.00 0.21 3.68 -2.24 0.26 -4.90 114.28 116.20 3bjm n THR 411 Ca -0.13 -1.68 0.07 0.00 -2.27 0.00 0.00 64.05 60.03 3bjm n THR 411 Cb 0.51 0.27 0.44 0.00 -2.10 0.00 0.00 70.33 69.45 3bjm n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3bjm h SER 412 N 0.81 0.00 0.30 3.42 4.64 -2.01 -3.24 113.55 117.48 3bjm h SER 412 Ca -0.29 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.77 3bjm h SER 412 Cb 0.91 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3bjm h SER 412 CO 0.48 0.31 -1.93 0.47 -0.87 0.00 0.00 176.83 175.30 3bjm n ASP 413 N -3.70 0.44 -3.89 4.97 8.00 -1.26 -4.81 116.55 116.30 3bjm n ASP 413 Ca -0.01 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.58 3bjm n ASP 413 Cb 0.42 0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.74 0.07 -0.11 1.24 2.02 -1.22 -1.47 117.35 115.14 3bjm s TYR 414 Ca -0.07 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 3bjm s TYR 414 Cb 0.08 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.56 3bjm s TYR 414 CO 0.83 -0.22 -0.18 -1.17 -1.57 0.00 0.00 175.55 173.24 3bjm s LEU 415 N -1.14 2.44 -0.14 -1.29 0.20 -0.73 -0.57 118.68 117.44 3bjm s LEU 415 Ca -0.12 -0.42 -0.05 0.00 0.69 0.00 0.00 54.13 54.23 3bjm s LEU 415 Cb -0.07 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 3bjm s LEU 415 CO 0.01 0.18 0.01 -0.31 -0.29 0.00 0.00 176.35 175.95 3bjm s TYR 416 N 0.24 3.15 0.06 5.38 1.51 0.23 -0.62 117.35 127.31 3bjm s TYR 416 Ca -0.12 -0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3bjm s TYR 416 Cb -0.16 -1.95 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 3bjm s TYR 416 CO 0.06 0.19 0.17 1.52 -1.11 0.00 0.00 175.55 176.38 3bjm s TYR 417 N -0.02 0.14 -0.12 2.71 1.13 -0.03 -0.85 117.35 120.31 3bjm s TYR 417 Ca 0.04 -0.48 -0.09 0.00 -1.41 0.00 0.00 57.07 55.13 3bjm s TYR 417 Cb -0.13 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 3bjm s TYR 417 CO 0.02 -0.47 0.17 0.42 -2.51 0.00 0.00 175.55 173.18 3bjm s ILE 418 N -3.22 5.44 0.22 -3.49 -1.09 -0.47 -0.37 121.20 118.21 3bjm s ILE 418 Ca 0.00 0.28 -0.08 0.00 -2.23 0.00 0.00 60.65 58.63 3bjm s ILE 418 Cb 0.02 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 3bjm s ILE 418 CO -0.07 0.57 0.31 -0.94 -1.23 0.00 0.00 174.94 173.58 3bjm s SER 419 N -0.73 0.03 -0.45 3.58 1.04 -0.77 0.40 113.70 116.80 3bjm s SER 419 Ca 0.15 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3bjm s SER 419 Cb -0.12 0.48 0.55 0.00 0.10 0.00 0.00 66.02 67.03 3bjm s SER 419 CO 0.04 -0.98 1.77 -0.46 0.98 0.00 0.00 173.24 174.58 3bjm n ASN 420 N -0.31 4.53 0.04 7.02 2.04 -1.06 -1.29 115.26 126.23 3bjm n ASN 420 Ca -0.01 -3.72 -0.06 0.00 -0.44 0.00 0.00 54.58 50.35 3bjm n ASN 420 Cb 0.64 -0.78 0.12 0.00 -2.53 0.00 0.00 39.78 37.23 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 1.37 0.41 -6.55 -3.83 4.81 -1.83 -3.34 114.58 105.60 3bjm h GLU 421 Ca 0.50 -0.23 -0.55 0.00 -0.13 0.00 0.00 59.36 58.95 3bjm h GLU 421 Cb 1.90 0.02 0.05 0.00 0.63 0.00 0.00 28.75 31.35 3bjm h GLU 421 CO 1.02 0.81 0.99 0.98 -0.73 0.00 0.00 179.01 182.08 3bjm n TYR 422 N -3.97 2.57 -1.29 0.92 9.36 -1.26 -1.58 117.16 121.90 3bjm n TYR 422 Ca -0.02 0.04 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 3bjm n TYR 422 Cb 0.55 -2.66 -0.05 0.00 -0.63 0.00 0.00 39.34 36.56 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 4.47 -1.45 -1.92 2.98 5.02 -1.26 -2.25 118.16 123.74 3bjm n LYS 423 Ca 0.17 0.78 -0.18 0.00 -2.02 0.00 0.00 58.31 57.05 3bjm n LYS 423 Cb 0.34 -4.98 -0.05 0.00 -0.02 0.00 0.00 35.03 30.32 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 -0.09 0.76 3.54 0.72 0.00 -0.61 -4.97 105.19 104.54 3bjm n GLY 424 Ca -0.12 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.21 3.55 0.54 1.61 -1.94 -0.95 -4.95 119.30 112.94 3bjm s MET 425 Ca 0.00 -0.41 0.28 0.00 -1.71 0.00 0.00 55.69 53.85 3bjm s MET 425 Cb 0.00 -3.81 1.52 0.00 2.01 0.00 0.00 34.83 34.55 3bjm s MET 425 CO 0.00 -0.55 2.10 -1.35 -0.01 0.00 0.00 175.02 175.21 3bjm h PRO 426 N 8.47 0.00 -0.13 2.03 0.11 -1.90 -2.54 132.00 138.04 3bjm h PRO 426 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3bjm h PRO 426 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bjm h PRO 426 CO 0.70 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 3bjm n GLY 427 N -0.77 0.75 3.95 -0.55 0.00 -1.26 -4.86 105.19 102.45 3bjm n GLY 427 Ca -0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.81 1.29 -0.06 -0.02 0.00 -0.96 -2.50 107.32 103.26 3bjm s GLY 428 Ca 0.34 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 3bjm s GLY 428 CO 0.31 -1.03 0.13 0.50 0.00 0.00 0.00 173.10 173.01 3bjm s ARG 429 N -4.17 0.07 0.07 2.90 1.81 -0.14 -4.14 118.95 115.35 3bjm s ARG 429 Ca 0.37 0.36 0.01 0.00 -1.72 0.00 0.00 55.73 54.76 3bjm s ARG 429 Cb -0.09 -0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 3bjm s ARG 429 CO 0.33 -0.18 -0.06 -0.80 -0.68 0.00 0.00 175.30 173.91 3bjm s ASN 430 N 1.26 0.90 -0.13 0.23 0.01 -0.41 -1.17 114.94 115.61 3bjm s ASN 430 Ca -0.08 -0.86 -0.21 0.00 -0.71 0.00 0.00 52.86 51.00 3bjm s ASN 430 Cb -0.12 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.61 3bjm s ASN 430 CO -0.06 -0.41 0.61 -0.22 -1.51 0.00 0.00 177.10 175.52 3bjm s LEU 431 N -2.55 4.24 0.19 0.60 2.96 -1.26 -1.84 118.68 121.02 3bjm s LEU 431 Ca 0.04 0.95 0.08 0.00 -0.22 0.00 0.00 54.13 54.98 3bjm s LEU 431 Cb 0.01 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 3bjm s LEU 431 CO -0.04 -0.15 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.37 3bjm s TYR 432 N 1.20 1.79 -0.02 5.38 1.51 0.50 0.54 117.35 128.25 3bjm s TYR 432 Ca 0.31 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3bjm s TYR 432 Cb -0.16 -0.85 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 3bjm s TYR 432 CO 0.13 0.37 -0.13 -1.59 -1.11 0.00 0.00 175.55 173.22 3bjm s LYS 433 N -3.28 1.14 -0.15 -0.62 -2.85 -0.61 -0.85 119.74 112.52 3bjm s LYS 433 Ca 0.20 -0.46 -0.03 0.00 -1.00 0.00 0.00 55.97 54.68 3bjm s LYS 433 Cb -0.03 -1.07 -0.03 0.00 -2.06 0.00 0.00 37.83 34.64 3bjm s LYS 433 CO 0.07 0.25 -0.05 0.42 0.10 0.00 0.00 175.35 176.14 3bjm s ILE 434 N -0.17 3.79 -0.16 3.79 1.01 0.21 -1.76 121.20 127.91 3bjm s ILE 434 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3bjm s ILE 434 Cb -0.07 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3bjm s ILE 434 CO -0.00 0.49 1.54 -1.58 0.00 0.00 0.00 174.94 175.39 3bjm s GLN 435 N 0.39 4.01 0.26 2.79 0.74 -0.92 -1.77 119.66 125.15 3bjm s GLN 435 Ca -0.05 1.80 0.24 0.00 0.05 0.00 0.00 55.36 57.40 3bjm s GLN 435 Cb -0.14 -3.96 0.98 0.00 1.10 0.00 0.00 33.01 30.99 3bjm s GLN 435 CO 0.03 -1.03 1.72 1.28 -0.55 0.00 0.00 175.29 176.74 3bjm n LEU 436 N 7.64 0.69 0.06 3.68 4.77 -0.54 -2.05 117.00 131.25 3bjm n LEU 436 Ca 0.17 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 3bjm n LEU 436 Cb 0.44 -0.56 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 3bjm n LEU 436 CO 0.62 -0.54 0.31 0.77 -1.33 0.00 0.00 177.39 177.22 3bjm h SER 437 N 0.00 0.00 -1.68 -1.43 4.64 -1.90 -3.43 113.55 109.75 3bjm h SER 437 Ca 0.00 -0.21 -0.20 0.00 -0.47 0.00 0.00 61.79 60.91 3bjm h SER 437 Cb 0.39 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.20 3bjm h SER 437 CO 0.00 0.10 -0.55 -0.62 -0.87 0.00 0.00 176.83 174.89 3bjm s ASP 438 N -4.30 0.33 0.62 4.97 2.15 -0.87 -5.03 116.67 114.54 3bjm s ASP 438 Ca 0.06 -0.59 0.41 0.00 0.43 0.00 0.00 52.55 52.85 3bjm s ASP 438 Cb 0.13 1.10 2.08 0.00 -0.30 0.00 0.00 42.92 45.93 3bjm s ASP 438 CO 0.73 -0.33 2.24 1.88 -0.17 0.00 0.00 175.17 179.52 3bjm h TYR 439 N 7.91 0.00 0.00 -5.34 0.05 -1.84 -0.08 116.97 117.66 3bjm h TYR 439 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3bjm h TYR 439 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3bjm h TYR 439 CO 0.27 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.63 3bjm n THR 440 N -3.06 0.43 -3.37 -2.88 -2.24 -1.26 -4.33 114.28 97.58 3bjm n THR 440 Ca -0.02 0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 3bjm n THR 440 Cb 0.14 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.73 3.70 -0.22 -0.78 1.02 -0.04 -5.00 119.74 115.69 3bjm s LYS 441 Ca 0.16 -2.71 -0.05 0.00 0.02 0.00 0.00 55.97 53.39 3bjm s LYS 441 Cb 0.14 -4.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.02 3bjm s LYS 441 CO 0.34 -1.27 0.01 0.08 -0.92 0.00 0.00 175.35 173.59 3bjm s VAL 442 N -0.30 3.89 -0.17 3.17 1.01 -1.26 -2.16 120.40 124.58 3bjm s VAL 442 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3bjm s VAL 442 Cb -0.11 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3bjm s VAL 442 CO -0.09 0.41 -0.06 0.28 0.00 0.00 0.00 175.10 175.64 3bjm s THR 443 N 1.25 3.53 0.07 3.92 -1.32 -0.72 -4.97 115.64 117.40 3bjm s THR 443 Ca 0.04 -0.47 -0.31 0.00 -1.21 0.00 0.00 61.69 59.74 3bjm s THR 443 Cb -0.15 -2.56 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 3bjm s THR 443 CO 0.01 0.47 1.24 0.00 -2.21 0.00 0.00 174.62 174.13 3bjm n LEU 445 N 3.92 1.35 0.00 0.00 4.77 0.19 -4.57 117.00 122.65 3bjm n LEU 445 Ca 0.09 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3bjm n LEU 445 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3bjm n LEU 445 CO 0.56 0.28 -0.21 -1.54 -1.33 0.00 0.00 177.39 175.15 3bjm n SER 446 N -0.80 2.13 -0.16 -1.43 3.41 -1.17 -4.83 113.62 110.77 3bjm n SER 446 Ca 0.06 -0.13 0.10 0.00 -0.26 0.00 0.00 58.87 58.64 3bjm n SER 446 Cb 0.35 0.69 0.42 0.00 -0.26 0.00 0.00 64.21 65.41 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 -4.49 0.91 -0.04 0.00 -0.58 -1.26 -4.47 120.64 110.71 3bjm n GLU 448 Ca 0.12 -1.28 -0.10 0.00 -0.42 0.00 0.00 57.16 55.48 3bjm n GLU 448 Cb 0.35 -1.20 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.90 0.17 -5.15 -4.62 3.38 -1.84 -3.39 115.31 105.76 3bjm h LEU 449 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3bjm h LEU 449 Cb 0.47 -0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.01 3bjm h LEU 449 CO 0.00 0.13 -0.57 0.59 0.09 0.00 0.00 178.44 178.68 3bjm n ASN 450 N -4.98 -2.62 0.26 -0.43 3.02 -1.26 -5.04 115.26 104.20 3bjm n ASN 450 Ca -0.03 -3.13 0.13 0.00 -0.03 0.00 0.00 54.58 51.52 3bjm n ASN 450 Cb 0.05 1.48 0.69 0.00 -0.61 0.00 0.00 39.78 41.39 3bjm n ASN 450 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3bjm h PRO 451 N 4.26 0.00 0.23 3.52 0.13 -1.78 0.16 132.00 138.52 3bjm h PRO 451 Ca -0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.72 3bjm h PRO 451 Cb 1.03 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.18 3bjm h PRO 451 CO 0.28 0.13 -1.61 0.93 -0.23 0.00 0.00 178.00 177.50 3bjm h GLU 452 N 0.00 0.48 0.00 0.86 5.08 -1.96 -3.38 114.58 115.66 3bjm h GLU 452 Ca -0.00 -0.82 -0.21 0.00 -1.00 0.00 0.00 59.36 57.33 3bjm h GLU 452 Cb 0.42 0.31 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3bjm h GLU 452 CO 0.02 1.39 -1.40 -0.09 -1.00 0.00 0.00 179.01 177.93 3bjm h ARG 453 N 0.13 0.00 -3.84 2.33 2.43 -1.83 -3.42 114.38 110.18 3bjm h ARG 453 Ca -0.30 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.34 3bjm h ARG 453 Cb 2.14 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 31.30 3bjm h ARG 453 CO 0.23 0.44 -0.77 0.00 -1.51 0.00 0.00 179.97 178.36 3bjm n GLN 455 N 4.95 0.00 -3.62 0.00 6.02 0.11 -4.46 117.38 120.37 3bjm n GLN 455 Ca -0.10 -0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.49 3bjm n GLN 455 Cb 0.47 -0.50 -0.14 0.00 1.02 0.00 0.00 30.24 31.09 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 0.00 1.11 0.09 1.08 6.14 -1.08 -0.97 117.35 123.73 3bjm s TYR 456 Ca 0.00 -1.51 0.05 0.00 0.64 0.00 0.00 57.07 56.25 3bjm s TYR 456 Cb 0.00 -1.33 -0.04 0.00 0.42 0.00 0.00 41.96 41.01 3bjm s TYR 456 CO 0.00 -0.84 0.01 0.71 0.64 0.00 0.00 175.55 176.07 3bjm s TYR 457 N 1.55 3.01 0.31 4.97 2.02 -0.32 -0.86 117.35 128.03 3bjm s TYR 457 Ca 0.12 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3bjm s TYR 457 Cb -0.19 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.79 3bjm s TYR 457 CO -0.22 0.49 0.11 -1.54 -1.57 0.00 0.00 175.55 172.82 3bjm s SER 458 N -2.37 1.83 0.09 2.29 1.04 0.06 -4.64 113.70 111.99 3bjm s SER 458 Ca 0.26 -1.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.09 3bjm s SER 458 Cb -0.12 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.25 3bjm s SER 458 CO 0.19 -0.79 0.27 0.54 0.98 0.00 0.00 173.24 174.43 3bjm s VAL 459 N -3.52 0.11 -0.15 5.02 0.11 -1.26 -1.25 120.40 119.46 3bjm s VAL 459 Ca 0.34 -0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 3bjm s VAL 459 Cb 0.06 -1.19 0.07 0.00 -1.53 0.00 0.00 36.38 33.79 3bjm s VAL 459 CO 0.15 -0.50 0.15 -0.55 -3.33 0.00 0.00 175.10 171.02 3bjm s SER 460 N -2.64 1.57 0.06 3.54 0.15 -0.64 -4.98 113.70 110.76 3bjm s SER 460 Ca 0.02 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.29 3bjm s SER 460 Cb 0.03 0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.37 3bjm s SER 460 CO -0.09 -0.31 0.48 -0.36 1.20 0.00 0.00 173.24 174.16 3bjm s PHE 461 N 2.24 3.71 1.02 3.44 0.08 -1.26 -0.65 117.98 126.56 3bjm s PHE 461 Ca 0.04 1.07 -0.13 0.00 0.12 0.00 0.00 56.93 58.03 3bjm s PHE 461 Cb -0.15 -2.35 0.20 0.00 -0.57 0.00 0.00 43.02 40.15 3bjm s PHE 461 CO -0.09 0.57 1.10 -1.54 -0.10 0.00 0.00 175.22 175.16 3bjm s SER 462 N -1.29 2.46 0.39 1.36 1.04 0.15 -4.88 113.70 112.93 3bjm s SER 462 Ca 0.29 1.08 -0.26 0.00 0.48 0.00 0.00 55.95 57.54 3bjm s SER 462 Cb -0.17 -1.70 -0.11 0.00 0.10 0.00 0.00 66.02 64.14 3bjm s SER 462 CO 0.17 -3.22 1.16 0.29 0.98 0.00 0.00 173.24 172.62 3bjm n LYS 463 N -4.22 1.73 -1.18 4.02 5.02 -1.08 -1.22 118.16 121.23 3bjm n LYS 463 Ca 0.06 0.61 -0.06 0.00 -2.02 0.00 0.00 58.31 56.90 3bjm n LYS 463 Cb 0.58 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3bjm n LYS 463 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bjm n GLU 464 N 0.28 -1.62 -2.69 1.97 1.02 -1.26 -3.21 120.64 115.13 3bjm n GLU 464 Ca 0.07 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.70 3bjm n GLU 464 Cb 0.38 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.80 3bjm n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bjm n ALA 465 N 1.11 -0.81 -0.07 0.62 0.00 -0.36 -4.87 120.51 116.13 3bjm n ALA 465 Ca -0.06 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 3bjm n ALA 465 Cb 0.50 -2.45 0.05 0.00 0.00 0.00 0.00 19.45 17.55 3bjm n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3bjm h LYS 466 N -0.45 0.75 -4.83 0.00 3.64 -1.73 -3.42 116.57 110.53 3bjm h LYS 466 Ca -0.43 -0.38 -0.29 0.00 -1.27 0.00 0.00 60.65 58.28 3bjm h LYS 466 Cb 1.31 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 3bjm h LYS 466 CO 0.50 1.00 -0.67 0.71 -2.27 0.00 0.00 179.45 178.72 3bjm s TYR 467 N -4.35 1.22 -0.02 1.91 1.51 -1.26 -0.88 117.35 115.47 3bjm s TYR 467 Ca -0.09 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 54.88 3bjm s TYR 467 Cb 0.12 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 3bjm s TYR 467 CO 0.85 -0.18 0.21 1.52 -1.11 0.00 0.00 175.55 176.84 3bjm s TYR 468 N -3.62 -0.09 -0.24 2.71 1.13 -0.57 -0.67 117.35 116.01 3bjm s TYR 468 Ca 0.23 0.14 -0.11 0.00 -1.41 0.00 0.00 57.07 55.92 3bjm s TYR 468 Cb 0.06 0.02 -0.05 0.00 -1.10 0.00 0.00 41.96 40.89 3bjm s TYR 468 CO 0.04 -0.29 0.18 -1.14 -2.51 0.00 0.00 175.55 171.83 3bjm s GLN 469 N -1.06 4.07 0.06 -3.49 0.74 0.17 -0.54 119.66 119.62 3bjm s GLN 469 Ca -0.11 -0.24 -0.11 0.00 0.05 0.00 0.00 55.36 54.94 3bjm s GLN 469 Cb -0.06 -3.54 -0.06 0.00 1.10 0.00 0.00 33.01 30.45 3bjm s GLN 469 CO 0.02 0.04 0.41 -0.51 -0.55 0.00 0.00 175.29 174.71 3bjm s LEU 470 N 1.10 4.38 -0.24 3.68 1.43 0.79 -1.62 118.68 128.21 3bjm s LEU 470 Ca 0.08 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 3bjm s LEU 470 Cb -0.14 -2.90 0.08 0.00 0.03 0.00 0.00 46.19 43.26 3bjm s LEU 470 CO 0.05 0.21 0.06 -0.60 0.23 0.00 0.00 176.35 176.30 3bjm s ARG 471 N -1.70 0.65 -0.06 1.70 3.52 -0.38 -1.67 118.95 121.02 3bjm s ARG 471 Ca 0.31 -0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 55.10 3bjm s ARG 471 Cb -0.15 -1.99 -0.05 0.00 -1.56 0.00 0.00 34.95 31.20 3bjm s ARG 471 CO 0.17 -0.78 0.41 0.00 -0.81 0.00 0.00 175.30 174.29 3bjm n SER 473 N 2.62 1.40 0.00 0.00 7.64 -0.04 -1.85 113.62 123.39 3bjm n SER 473 Ca -0.12 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.57 3bjm n SER 473 Cb 0.52 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.35 -2.91 0.07 0.23 0.00 -1.26 0.62 105.19 102.29 3bjm n GLY 474 Ca 0.03 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.85 3bjm n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bjm n PRO 475 N -0.97 0.14 -0.38 1.61 -0.04 -0.01 0.07 135.00 135.42 3bjm n PRO 475 Ca 0.00 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3bjm n PRO 475 Cb 0.00 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 3bjm n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bjm n GLY 476 N 0.81 -1.68 3.77 0.55 0.00 0.88 -4.38 105.19 105.13 3bjm n GLY 476 Ca 0.05 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 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 4.25 0.32 0.99 1.43 -1.26 -4.46 118.68 119.94 3bjm s LEU 477 Ca 0.17 2.61 -0.28 0.00 -1.03 0.00 0.00 54.13 55.60 3bjm s LEU 477 Cb -0.01 -3.87 -0.13 0.00 0.03 0.00 0.00 46.19 42.21 3bjm s LEU 477 CO 0.13 -0.76 1.13 -2.65 0.23 0.00 0.00 176.35 174.43 3bjm n PRO 478 N 0.25 1.70 -3.90 1.29 -0.02 -1.26 -4.77 135.00 128.29 3bjm n PRO 478 Ca 0.03 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.88 3bjm n PRO 478 Cb 0.44 -2.06 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.23 0.89 -0.21 2.45 0.20 -0.77 -4.34 118.68 116.66 3bjm s LEU 479 Ca 0.57 -0.14 -0.04 0.00 0.69 0.00 0.00 54.13 55.21 3bjm s LEU 479 Cb -0.64 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.58 3bjm s LEU 479 CO 0.61 -0.14 -0.02 -0.31 -0.29 0.00 0.00 176.35 176.19 3bjm s TYR 480 N 1.66 2.98 0.08 5.38 1.51 0.17 -1.54 117.35 127.60 3bjm s TYR 480 Ca 0.01 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.39 3bjm s TYR 480 Cb -0.13 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3bjm s TYR 480 CO -0.04 -0.43 -0.16 0.95 -1.11 0.00 0.00 175.55 174.76 3bjm s THR 481 N 1.30 1.31 -0.08 -0.71 -4.23 -0.67 0.56 115.64 113.12 3bjm s THR 481 Ca 0.04 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3bjm s THR 481 Cb -0.14 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 3bjm s THR 481 CO -0.01 -0.16 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.62 3bjm s LEU 482 N -1.76 3.08 0.07 4.79 2.96 -0.64 -0.15 118.68 127.04 3bjm s LEU 482 Ca 0.01 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3bjm s LEU 482 Cb -0.10 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3bjm s LEU 482 CO 0.03 0.31 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.26 3bjm s HIS 483 N -0.52 0.98 -0.19 5.38 3.76 0.30 -0.54 115.29 124.46 3bjm s HIS 483 Ca 0.08 -0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 3bjm s HIS 483 Cb -0.12 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.97 3bjm s HIS 483 CO 0.02 -0.01 0.18 0.45 -0.85 0.00 0.00 174.74 174.53 3bjm s SER 484 N -1.92 6.27 0.32 1.40 0.15 -0.70 -1.51 113.70 117.72 3bjm s SER 484 Ca -0.02 0.30 0.14 0.00 0.70 0.00 0.00 55.95 57.06 3bjm s SER 484 Cb -0.08 -2.12 0.54 0.00 -1.71 0.00 0.00 66.02 62.65 3bjm s SER 484 CO 0.01 0.14 1.69 0.28 1.20 0.00 0.00 173.24 176.57 3bjm h SER 485 N 6.75 0.00 -0.86 5.45 0.02 -1.27 0.06 113.55 123.70 3bjm h SER 485 Ca -0.41 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.65 3bjm h SER 485 Cb 1.16 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.57 3bjm h SER 485 CO 0.75 0.50 -0.48 0.58 -1.14 0.00 0.00 176.83 177.03 3bjm h VAL 486 N 0.00 0.02 0.00 2.27 2.07 -1.90 -3.09 116.25 115.62 3bjm h VAL 486 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3bjm h VAL 486 Cb 0.94 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3bjm h VAL 486 CO 0.06 0.00 -0.18 0.59 0.02 0.00 0.00 177.57 178.07 3bjm n ASN 487 N -5.37 1.36 -3.73 0.57 4.13 -1.25 -5.01 115.26 105.97 3bjm n ASN 487 Ca 0.04 -2.51 -0.24 0.00 1.68 0.00 0.00 54.58 53.56 3bjm n ASN 487 Cb 0.33 -0.29 0.03 0.00 -1.54 0.00 0.00 39.78 38.30 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 -0.78 -2.06 -4.81 6.41 8.00 -0.02 -4.96 116.55 118.34 3bjm n ASP 488 Ca 0.08 -0.89 -0.37 0.00 0.71 0.00 0.00 54.79 54.32 3bjm n ASP 488 Cb 0.62 -3.78 -0.06 0.00 -0.02 0.00 0.00 41.12 37.88 3bjm n ASP 488 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3bjm s LYS 489 N -6.01 3.90 0.27 -1.24 2.20 -1.05 -4.90 119.74 112.90 3bjm s LYS 489 Ca 0.12 0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 3bjm s LYS 489 Cb -0.04 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 3bjm s LYS 489 CO 0.83 0.54 1.45 0.20 -0.36 0.00 0.00 175.35 178.02 3bjm s GLY 490 N -0.46 2.38 -0.24 5.54 0.00 -1.26 -1.71 107.32 111.57 3bjm s GLY 490 Ca 0.18 1.36 -0.16 0.00 0.00 0.00 0.00 44.72 46.10 3bjm s GLY 490 CO 0.06 2.28 -0.31 1.04 0.00 0.00 0.00 173.10 176.17 3bjm n LEU 491 N 2.10 1.94 -3.53 0.66 4.77 0.30 -4.90 117.00 118.33 3bjm n LEU 491 Ca 0.06 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 3bjm n LEU 491 Cb 0.40 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3bjm n LEU 491 CO 0.61 0.27 0.70 0.00 -1.33 0.00 0.00 177.39 177.64 3bjm s ARG 492 N -2.61 0.85 0.10 3.23 1.70 -1.19 -5.02 118.95 116.01 3bjm s ARG 492 Ca -0.35 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 3bjm s ARG 492 Cb 0.11 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 3bjm s ARG 492 CO 0.47 -0.37 1.00 0.08 -1.08 0.00 0.00 175.30 175.40 3bjm s VAL 493 N -3.12 4.42 -0.25 4.99 1.01 -1.26 -1.62 120.40 124.57 3bjm s VAL 493 Ca 0.06 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 3bjm s VAL 493 Cb -0.01 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 3bjm s VAL 493 CO -0.08 0.27 -0.26 0.18 0.00 0.00 0.00 175.10 175.22 3bjm n LEU 494 N 2.97 2.61 -3.67 3.92 4.77 0.19 -4.94 117.00 122.85 3bjm n LEU 494 Ca 0.03 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.52 0.80 0.09 -0.70 -1.33 0.00 0.00 177.39 176.76 3bjm s GLU 495 N -2.49 0.41 0.00 3.23 2.56 -1.06 -4.99 118.70 116.35 3bjm s GLU 495 Ca -0.35 1.01 0.06 0.00 0.00 0.00 0.00 54.97 55.70 3bjm s GLU 495 Cb 0.10 0.24 0.07 0.00 2.00 0.00 0.00 34.13 36.55 3bjm s GLU 495 CO 0.54 -0.20 0.76 -0.40 -0.56 0.00 0.00 175.26 175.40 3bjm n ASP 496 N 4.91 1.67 -2.96 -1.70 5.68 -1.26 -0.65 116.55 122.23 3bjm n ASP 496 Ca -0.15 -1.37 -0.21 0.00 -0.50 0.00 0.00 54.79 52.56 3bjm n ASP 496 Cb 0.52 -0.02 0.05 0.00 -1.14 0.00 0.00 41.12 40.53 3bjm n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3bjm n ASN 497 N 0.30 -5.85 -0.03 -1.12 3.02 -1.26 -4.86 115.26 105.47 3bjm n ASN 497 Ca 0.04 -0.34 -0.04 0.00 -0.03 0.00 0.00 54.58 54.21 3bjm n ASN 497 Cb 0.18 -4.60 0.18 0.00 -0.61 0.00 0.00 39.78 34.94 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 -1.70 0.59 -0.34 6.41 4.64 -1.94 -2.12 113.55 119.10 3bjm h SER 498 Ca -0.50 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 60.68 3bjm h SER 498 Cb 1.34 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3bjm h SER 498 CO 0.52 0.78 0.12 0.00 -0.87 0.00 0.00 176.83 177.37 3bjm h ALA 499 N 1.28 0.39 -0.25 5.18 0.00 -1.99 -1.28 119.26 122.59 3bjm h ALA 499 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3bjm h ALA 499 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3bjm h ALA 499 CO 0.04 -0.27 -0.11 1.25 0.00 0.00 0.00 179.25 180.16 3bjm h LEU 500 N 0.27 0.39 -0.53 0.00 7.12 -1.80 -2.45 115.31 118.31 3bjm h LEU 500 Ca 0.15 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 3bjm h LEU 500 Cb 0.12 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 3bjm h LEU 500 CO -0.15 0.54 0.30 -0.78 -0.13 0.00 0.00 178.44 178.21 3bjm h ASP 501 N 0.38 0.65 0.09 1.25 3.58 -0.65 -2.10 116.42 119.63 3bjm h ASP 501 Ca 0.08 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3bjm h ASP 501 Cb 0.43 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3bjm h ASP 501 CO 0.02 0.55 -0.20 0.11 -2.88 0.00 0.00 179.24 176.84 3bjm h LYS 502 N 0.71 -0.36 -0.62 0.28 1.57 -0.79 -2.81 116.57 114.55 3bjm h LYS 502 Ca 0.19 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3bjm h LYS 502 Cb 0.03 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3bjm h LYS 502 CO -0.03 -0.24 0.39 0.52 -0.57 0.00 0.00 179.45 179.52 3bjm h MET 503 N -0.37 0.83 0.00 3.15 2.86 -1.37 -2.70 114.93 117.33 3bjm h MET 503 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3bjm h MET 503 Cb 0.41 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3bjm h MET 503 CO -0.13 0.58 -0.04 -0.07 1.06 0.00 0.00 176.91 178.31 3bjm h LEU 504 N 0.84 0.00 -0.77 1.22 3.38 -1.21 -1.13 115.31 117.63 3bjm h LEU 504 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3bjm h LEU 504 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3bjm h LEU 504 CO -0.04 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3bjm n GLN 505 N -3.20 0.13 -0.02 1.13 6.02 -1.02 -1.50 117.38 118.93 3bjm n GLN 505 Ca -0.00 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3bjm n GLN 505 Cb 0.27 -1.81 0.27 0.00 1.02 0.00 0.00 30.24 29.99 3bjm n GLN 505 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3bjm n ASN 506 N -2.06 2.45 -4.35 1.08 3.02 -0.43 -4.94 115.26 110.02 3bjm n ASN 506 Ca 0.01 -1.81 -0.27 0.00 -0.03 0.00 0.00 54.58 52.47 3bjm n ASN 506 Cb 0.13 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.15 3bjm n ASN 506 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3bjm s VAL 507 N -1.96 2.08 -0.99 2.41 -7.23 -0.56 -3.27 120.40 110.88 3bjm s VAL 507 Ca 0.32 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 3bjm s VAL 507 Cb 0.20 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 35.35 3bjm s VAL 507 CO 0.31 0.06 1.41 -1.10 -0.31 0.00 0.00 175.10 175.47 3bjm s GLN 508 N -1.96 3.57 0.36 4.82 -0.21 0.05 -4.97 119.66 121.32 3bjm s GLN 508 Ca 0.12 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 54.10 3bjm s GLN 508 Cb -0.10 -5.25 -0.10 0.00 1.00 0.00 0.00 33.01 28.56 3bjm s GLN 508 CO 0.05 -2.16 1.00 -1.64 -2.12 0.00 0.00 175.29 170.42 3bjm s MET 509 N 4.78 4.40 0.81 2.91 -1.94 -1.26 -4.38 119.30 124.62 3bjm s MET 509 Ca 0.44 1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 55.74 3bjm s MET 509 Cb -0.01 -2.69 0.08 0.00 2.01 0.00 0.00 34.83 34.22 3bjm s MET 509 CO -0.09 0.09 1.09 -1.25 -0.01 0.00 0.00 175.02 174.85 3bjm s PRO 510 N -2.25 1.92 0.46 2.03 0.04 -1.26 -4.30 135.00 131.64 3bjm s PRO 510 Ca 0.53 0.98 0.06 0.00 0.04 0.00 0.00 61.00 62.62 3bjm s PRO 510 Cb -0.20 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3bjm s PRO 510 CO 0.26 -1.82 0.23 -1.54 0.04 0.00 0.00 177.00 174.16 3bjm s SER 511 N -3.47 4.48 -0.08 6.66 1.04 -0.69 -4.92 113.70 116.71 3bjm s SER 511 Ca 0.62 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3bjm s SER 511 Cb -0.17 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.83 3bjm s SER 511 CO 0.56 -0.73 -0.11 -0.75 0.98 0.00 0.00 173.24 173.19 3bjm s LYS 512 N -4.01 1.67 -0.16 4.02 2.20 -1.26 0.25 119.74 122.47 3bjm s LYS 512 Ca 0.35 -0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 3bjm s LYS 512 Cb 0.02 -1.47 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 3bjm s LYS 512 CO 0.20 -0.05 0.05 0.21 -0.36 0.00 0.00 175.35 175.40 3bjm s LYS 513 N 0.93 3.71 -0.19 4.03 2.20 0.50 -4.94 119.74 125.98 3bjm s LYS 513 Ca -0.10 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 3bjm s LYS 513 Cb -0.15 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3bjm s LYS 513 CO 0.01 0.40 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.04 3bjm s LEU 514 N 0.00 2.35 0.00 5.43 0.20 -1.26 0.02 118.68 125.43 3bjm s LEU 514 Ca 0.05 -0.74 -0.00 0.00 0.69 0.00 0.00 54.13 54.13 3bjm s LEU 514 Cb -0.12 -1.50 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 3bjm s LEU 514 CO 0.01 -0.03 0.04 -0.67 -0.29 0.00 0.00 176.35 175.42 3bjm n ASP 515 N 4.60 -0.12 -4.04 3.68 -0.08 -0.80 -5.02 116.55 114.77 3bjm n ASP 515 Ca -0.20 -1.12 -0.08 0.00 -1.51 0.00 0.00 54.79 51.89 3bjm n ASP 515 Cb 0.49 0.21 -0.10 0.00 2.34 0.00 0.00 41.12 44.06 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 -6.48 0.41 0.40 -0.67 -0.12 -1.26 -1.29 117.98 108.97 3bjm s PHE 516 Ca 0.02 -0.87 0.08 0.00 -0.05 0.00 0.00 56.93 56.10 3bjm s PHE 516 Cb -0.00 -0.31 -0.07 0.00 -0.63 0.00 0.00 43.02 42.01 3bjm s PHE 516 CO 0.01 -0.33 0.04 0.96 -0.05 0.00 0.00 175.22 175.85 3bjm s ILE 517 N -3.14 2.17 -0.17 -4.49 -4.36 -0.52 -4.95 121.20 105.75 3bjm s ILE 517 Ca -0.00 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.40 3bjm s ILE 517 Cb 0.02 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.76 3bjm s ILE 517 CO -0.07 -0.04 -0.01 -0.63 0.24 0.00 0.00 174.94 174.43 3bjm s ILE 518 N -2.65 4.16 -0.10 8.37 -1.09 -1.26 -1.22 121.20 127.41 3bjm s ILE 518 Ca 0.36 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 3bjm s ILE 518 Cb 0.06 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.12 3bjm s ILE 518 CO 0.19 0.48 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.47 3bjm s LEU 519 N 0.40 1.73 -1.15 2.97 1.02 -0.47 -4.83 118.68 118.35 3bjm s LEU 519 Ca -0.02 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 53.40 3bjm s LEU 519 Cb -0.14 -1.07 0.04 0.00 0.02 0.00 0.00 46.19 45.05 3bjm s LEU 519 CO 0.02 0.03 0.60 0.59 0.02 0.00 0.00 176.35 177.61 3bjm n ASN 520 N 4.11 -3.58 0.00 2.29 3.02 -1.26 -1.58 115.26 118.25 3bjm n ASN 520 Ca -0.19 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3bjm n ASN 520 Cb 0.51 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3bjm n ASN 520 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3bjm n GLU 521 N -4.80 -0.03 -4.45 3.52 2.13 -1.26 -4.99 120.64 110.76 3bjm n GLU 521 Ca -0.11 0.01 -0.24 0.00 0.66 0.00 0.00 57.16 57.48 3bjm n GLU 521 Cb 0.53 -2.76 -0.13 0.00 0.27 0.00 0.00 31.44 29.35 3bjm n GLU 521 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3bjm s THR 522 N -3.38 1.61 0.12 6.31 2.01 -0.62 -5.11 115.64 116.58 3bjm s THR 522 Ca 0.00 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.37 3bjm s THR 522 Cb 0.00 -1.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 3bjm s THR 522 CO 0.00 0.06 1.08 -0.54 -0.69 0.00 0.00 174.62 174.54 3bjm s LYS 523 N -1.50 4.57 -0.04 4.92 1.02 -1.26 -1.36 119.74 126.09 3bjm s LYS 523 Ca 0.06 1.65 0.02 0.00 0.02 0.00 0.00 55.97 57.72 3bjm s LYS 523 Cb -0.09 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3bjm s LYS 523 CO 0.03 0.01 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.31 3bjm s PHE 524 N 0.25 1.07 0.24 3.18 0.08 -0.35 -4.96 117.98 117.48 3bjm s PHE 524 Ca 0.51 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 3bjm s PHE 524 Cb -0.27 -0.80 -0.06 0.00 -0.57 0.00 0.00 43.02 41.32 3bjm s PHE 524 CO 0.32 -0.17 0.52 -1.58 -0.10 0.00 0.00 175.22 174.21 3bjm s TRP 525 N 0.47 3.46 0.12 0.36 0.52 -1.25 -1.44 118.94 121.18 3bjm s TRP 525 Ca -0.08 0.70 -0.04 0.00 0.02 0.00 0.00 56.10 56.70 3bjm s TRP 525 Cb -0.12 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 3bjm s TRP 525 CO 0.01 0.25 0.13 1.52 0.02 0.00 0.00 176.95 178.88 3bjm s TYR 526 N -1.92 0.58 0.11 -1.98 1.13 -0.41 -0.97 117.35 113.89 3bjm s TYR 526 Ca 0.45 -0.99 0.06 0.00 -1.41 0.00 0.00 57.07 55.18 3bjm s TYR 526 Cb -0.11 -0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.43 3bjm s TYR 526 CO 0.26 -0.56 -0.15 1.14 -2.51 0.00 0.00 175.55 173.73 3bjm s GLN 527 N -3.98 1.00 -0.06 -3.49 -2.07 -0.24 -1.90 119.66 108.92 3bjm s GLN 527 Ca 0.17 -1.17 0.03 0.00 -1.82 0.00 0.00 55.36 52.57 3bjm s GLN 527 Cb 0.06 -0.98 0.01 0.00 -1.09 0.00 0.00 33.01 31.01 3bjm s GLN 527 CO -0.02 0.20 -0.15 -1.64 -1.32 0.00 0.00 175.29 172.36 3bjm s MET 528 N -2.35 1.87 -0.36 9.60 -1.94 0.10 -1.65 119.30 124.58 3bjm s MET 528 Ca 0.06 -0.53 -0.19 0.00 -1.71 0.00 0.00 55.69 53.33 3bjm s MET 528 Cb -0.07 -1.54 0.00 0.00 2.01 0.00 0.00 34.83 35.23 3bjm s MET 528 CO 0.03 0.11 0.57 0.42 -0.01 0.00 0.00 175.02 176.14 3bjm s ILE 529 N 0.42 4.96 -0.11 2.53 1.01 -0.26 -0.37 121.20 129.38 3bjm s ILE 529 Ca -0.12 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 3bjm s ILE 529 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3bjm s ILE 529 CO 0.04 -0.28 0.08 -0.76 0.00 0.00 0.00 174.94 174.02 3bjm s LEU 530 N 2.54 4.01 0.72 2.97 1.43 0.14 -2.43 118.68 128.07 3bjm s LEU 530 Ca 0.21 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.46 3bjm s LEU 530 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3bjm s LEU 530 CO 0.14 0.38 0.93 -2.65 0.23 0.00 0.00 176.35 175.38 3bjm n PRO 531 N 2.17 0.48 -1.54 1.29 -0.02 -1.26 -1.71 135.00 134.41 3bjm n PRO 531 Ca -0.19 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 3bjm n PRO 531 Cb 0.54 -2.19 0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3bjm n PRO 531 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bjm s PRO 532 N -3.30 2.38 -1.48 0.52 0.04 -1.26 -2.77 135.00 129.13 3bjm s PRO 532 Ca 0.72 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 3bjm s PRO 532 Cb -0.34 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.38 3bjm s PRO 532 CO 0.51 -1.61 1.04 0.72 0.04 0.00 0.00 177.00 177.70 3bjm n HIS 533 N -2.68 -2.48 -1.65 0.56 8.25 -1.26 -4.89 115.22 111.06 3bjm n HIS 533 Ca 0.12 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 58.12 3bjm n HIS 533 Cb 0.51 -4.31 0.04 0.00 1.12 0.00 0.00 29.99 27.35 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 -4.78 1.38 -3.45 4.41 7.35 -1.11 -4.99 117.46 116.26 3bjm n PHE 534 Ca 0.03 0.47 -0.22 0.00 -0.76 0.00 0.00 57.45 56.97 3bjm n PHE 534 Cb 0.54 -2.24 -0.12 0.00 0.35 0.00 0.00 39.48 38.02 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 -0.99 2.35 0.00 -2.13 -1.08 -1.26 -5.01 116.67 108.55 3bjm s ASP 535 Ca 0.71 -0.99 0.08 0.00 -0.52 0.00 0.00 52.55 51.82 3bjm s ASP 535 Cb -0.46 0.19 0.46 0.00 -1.46 0.00 0.00 42.92 41.65 3bjm s ASP 535 CO 0.51 -0.40 0.93 2.29 0.52 0.00 0.00 175.17 179.01 3bjm n LYS 536 N 5.24 0.23 0.08 4.34 0.00 -1.26 -0.63 118.16 126.16 3bjm n LYS 536 Ca -0.03 0.01 0.11 0.00 -0.00 0.00 0.00 58.31 58.41 3bjm n LYS 536 Cb 0.45 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 33.97 3bjm n LYS 536 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3bjm n SER 537 N -1.02 0.71 -4.93 -5.58 3.41 -1.26 -4.24 113.62 100.71 3bjm n SER 537 Ca 0.06 0.21 -0.25 0.00 -0.26 0.00 0.00 58.87 58.62 3bjm n SER 537 Cb 0.03 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3bjm n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3bjm s LYS 538 N -3.35 3.52 -0.23 4.33 1.02 0.20 -4.96 119.74 120.26 3bjm s LYS 538 Ca -0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 55.97 55.65 3bjm s LYS 538 Cb 0.11 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 3bjm s LYS 538 CO 0.80 0.17 0.08 0.15 -0.92 0.00 0.00 175.35 175.63 3bjm s LYS 539 N -4.09 3.78 0.05 1.68 1.02 -1.26 -4.24 119.74 116.69 3bjm s LYS 539 Ca 0.41 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.01 3bjm s LYS 539 Cb -0.10 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3bjm s LYS 539 CO 0.35 -0.05 0.03 0.71 -0.92 0.00 0.00 175.35 175.47 3bjm s TYR 540 N 1.26 3.10 0.57 3.18 1.51 0.27 -4.52 117.35 122.71 3bjm s TYR 540 Ca 0.05 0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 3bjm s TYR 540 Cb -0.15 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 3bjm s TYR 540 CO 0.04 0.49 1.22 -1.25 -1.11 0.00 0.00 175.55 174.95 3bjm s PRO 541 N -2.08 3.08 -0.07 -1.71 0.04 -1.26 0.33 135.00 133.32 3bjm s PRO 541 Ca 0.25 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3bjm s PRO 541 Cb -0.12 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3bjm s PRO 541 CO 0.17 -1.13 -0.16 -1.17 0.04 0.00 0.00 177.00 174.75 3bjm s LEU 542 N -3.88 1.80 -0.24 -3.56 0.20 -0.13 -1.88 118.68 110.99 3bjm s LEU 542 Ca 0.75 -0.38 -0.06 0.00 0.69 0.00 0.00 54.13 55.13 3bjm s LEU 542 Cb -0.32 -1.01 -0.02 0.00 -0.43 0.00 0.00 46.19 44.41 3bjm s LEU 542 CO 0.35 0.08 0.04 -0.22 -0.29 0.00 0.00 176.35 176.31 3bjm s LEU 543 N 0.53 3.27 -0.47 -0.68 0.20 0.55 -0.01 118.68 122.07 3bjm s LEU 543 Ca -0.15 -0.26 -0.22 0.00 0.69 0.00 0.00 54.13 54.19 3bjm s LEU 543 Cb -0.16 -1.87 0.03 0.00 -0.43 0.00 0.00 46.19 43.76 3bjm s LEU 543 CO 0.05 -0.03 0.73 -0.22 -0.29 0.00 0.00 176.35 176.60 3bjm s LEU 544 N 1.57 4.42 -0.33 -0.68 2.96 0.10 -0.55 118.68 126.18 3bjm s LEU 544 Ca 0.06 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3bjm s LEU 544 Cb -0.15 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3bjm s LEU 544 CO 0.02 -0.91 0.85 -0.62 -1.32 0.00 0.00 176.35 174.36 3bjm s ASP 545 N 2.26 6.68 0.10 3.68 -1.08 0.13 -1.66 116.67 126.78 3bjm s ASP 545 Ca 0.25 0.64 0.10 0.00 -0.52 0.00 0.00 52.55 53.03 3bjm s ASP 545 Cb -0.14 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 3bjm s ASP 545 CO 0.19 -0.71 -0.25 0.54 0.52 0.00 0.00 175.17 175.46 3bjm s VAL 546 N 3.15 2.34 0.01 1.11 0.11 -0.44 -4.31 120.40 122.37 3bjm s VAL 546 Ca 0.35 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 3bjm s VAL 546 Cb -0.13 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3bjm s VAL 546 CO 0.15 0.18 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 3bjm n TYR 547 N 1.16 -0.08 -1.10 1.54 9.36 -1.26 -4.33 117.16 122.46 3bjm n TYR 547 Ca -0.17 0.01 -0.03 0.00 3.32 0.00 0.00 57.90 61.03 3bjm n TYR 547 Cb 0.53 0.27 -0.01 0.00 -0.63 0.00 0.00 39.34 39.49 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 -2.55 -0.05 -0.91 2.98 0.00 -1.26 -3.45 120.51 115.27 3bjm n ALA 548 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3bjm n ALA 548 Cb 0.00 -1.15 0.15 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.20 1.66 0.21 0.00 0.00 -1.26 -4.80 107.32 100.93 3bjm s GLY 549 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 44.72 44.71 3bjm s GLY 549 CO 0.00 0.76 1.55 -1.05 0.00 0.00 0.00 173.10 174.36 3bjm n PRO 550 N -4.08 2.29 -2.07 2.90 -0.02 -1.26 -1.15 135.00 131.62 3bjm n PRO 550 Ca 0.09 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.23 3bjm n PRO 550 Cb 0.53 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.42 6.07 -0.13 0.00 1.04 -0.30 -4.14 113.70 113.81 3bjm s SER 552 Ca 0.00 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.24 3bjm s SER 552 Cb 0.00 -2.07 0.07 0.00 0.10 0.00 0.00 66.02 64.11 3bjm s SER 552 CO 0.00 -0.71 0.21 -1.58 0.98 0.00 0.00 173.24 172.13 3bjm s GLN 553 N -4.80 0.11 0.00 4.02 0.74 -1.26 -1.41 119.66 117.06 3bjm s GLN 553 Ca 0.49 0.50 0.10 0.00 0.05 0.00 0.00 55.36 56.50 3bjm s GLN 553 Cb -0.10 -0.50 -0.07 0.00 1.10 0.00 0.00 33.01 33.43 3bjm s GLN 553 CO 0.45 -0.41 0.50 1.63 -0.55 0.00 0.00 175.29 176.91 3bjm n LYS 554 N 5.33 3.16 -3.85 1.67 4.76 -1.26 -4.86 118.16 123.10 3bjm n LYS 554 Ca -0.05 -0.20 -0.36 0.00 -2.87 0.00 0.00 58.31 54.82 3bjm n LYS 554 Cb 0.50 -1.01 -0.13 0.00 -1.84 0.00 0.00 35.03 32.54 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 -1.77 2.90 0.08 7.82 0.00 -1.26 -4.76 121.76 124.76 3bjm s ALA 555 Ca 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 3bjm s ALA 555 Cb 0.08 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3bjm s ALA 555 CO 0.36 -1.06 0.12 -0.40 0.00 0.00 0.00 175.76 174.79 3bjm n ASP 556 N 4.74 -0.35 -1.11 0.00 5.68 -1.26 -4.37 116.55 119.88 3bjm n ASP 556 Ca -0.14 -1.39 0.08 0.00 -0.50 0.00 0.00 54.79 52.84 3bjm n ASP 556 Cb 0.46 0.62 0.27 0.00 -1.14 0.00 0.00 41.12 41.34 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 -0.12 1.84 -3.09 2.12 -2.24 -1.04 -4.96 114.28 106.78 3bjm n THR 557 Ca -0.00 -1.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.02 3bjm n THR 557 Cb 0.13 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 3bjm n THR 557 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3bjm s VAL 558 N -2.04 4.58 -0.16 2.28 -7.23 -1.26 -0.83 120.40 115.75 3bjm s VAL 558 Ca 0.41 1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 61.53 3bjm s VAL 558 Cb 0.28 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.42 3bjm s VAL 558 CO 0.16 0.08 0.87 0.12 -0.31 0.00 0.00 175.10 176.02 3bjm s PHE 559 N -1.67 3.44 0.04 2.82 5.36 0.20 -4.88 117.98 123.29 3bjm s PHE 559 Ca 0.47 1.33 0.05 0.00 -0.96 0.00 0.00 56.93 57.82 3bjm s PHE 559 Cb -0.15 -3.05 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 3bjm s PHE 559 CO 0.20 -0.24 -0.15 1.03 -1.46 0.00 0.00 175.22 174.60 3bjm s ARG 560 N 2.12 1.01 -0.30 10.12 0.52 -1.26 -4.91 118.95 126.25 3bjm s ARG 560 Ca 0.40 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3bjm s ARG 560 Cb -0.17 -1.03 0.07 0.00 0.52 0.00 0.00 34.95 34.34 3bjm s ARG 560 CO 0.13 0.26 -0.02 -0.51 0.02 0.00 0.00 175.30 175.19 3bjm s LEU 561 N -1.10 3.98 0.00 2.53 1.43 -1.26 -4.89 118.68 119.37 3bjm s LEU 561 Ca 0.03 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 3bjm s LEU 561 Cb -0.08 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3bjm s LEU 561 CO 0.01 -0.28 0.00 -0.46 0.23 0.00 0.00 176.35 175.86 3bjm n ASN 562 N 4.50 0.00 -0.34 2.29 2.04 -1.26 -5.00 115.26 117.49 3bjm n ASN 562 Ca -0.10 -0.27 -0.00 0.00 -0.44 0.00 0.00 54.58 53.76 3bjm n ASN 562 Cb 0.42 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.80 3bjm n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3bjm h TRP 563 N 0.27 1.11 -0.69 -2.53 7.01 -1.98 -2.19 115.95 116.95 3bjm h TRP 563 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 3bjm h TRP 563 Cb 0.00 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 26.66 3bjm h TRP 563 CO 0.00 0.62 0.30 0.00 -2.79 0.00 0.00 178.44 176.57 3bjm h ALA 564 N 1.39 1.23 -0.57 2.65 0.00 -1.98 -0.90 119.26 121.08 3bjm h ALA 564 Ca 0.37 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3bjm h ALA 564 Cb 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 3bjm h ALA 564 CO -0.13 0.57 0.19 1.15 0.00 0.00 0.00 179.25 181.03 3bjm h THR 565 N 0.99 0.77 0.04 0.00 2.02 -1.74 -1.51 112.91 113.48 3bjm h THR 565 Ca 0.24 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3bjm h THR 565 Cb 0.15 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3bjm h THR 565 CO -0.03 0.07 -0.02 0.22 0.37 0.00 0.00 175.52 176.13 3bjm h TYR 566 N 0.36 -0.05 -0.68 3.16 3.20 -1.16 0.08 116.97 121.89 3bjm h TYR 566 Ca 0.28 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.19 3bjm h TYR 566 Cb 0.35 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3bjm h TYR 566 CO -0.18 0.07 0.45 -0.07 -1.64 0.00 0.00 178.16 176.79 3bjm h LEU 567 N -0.16 0.70 0.07 2.82 3.38 -0.73 -0.48 115.31 120.91 3bjm h LEU 567 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3bjm h LEU 567 Cb 0.15 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bjm h LEU 567 CO 0.01 0.48 -0.54 0.00 0.09 0.00 0.00 178.44 178.47 3bjm h ALA 568 N 1.61 -0.03 -0.27 1.53 0.00 -1.18 -1.16 119.26 119.75 3bjm h ALA 568 Ca 0.27 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3bjm h ALA 568 Cb 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3bjm h ALA 568 CO -0.08 0.26 -0.43 1.03 0.00 0.00 0.00 179.25 180.03 3bjm h SER 569 N -0.46 0.85 0.00 0.00 0.87 -0.66 -2.72 113.55 111.42 3bjm h SER 569 Ca -0.09 -0.52 -0.36 0.00 -1.23 0.00 0.00 61.79 59.60 3bjm h SER 569 Cb 1.37 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 63.03 3bjm h SER 569 CO 0.10 1.20 -2.35 0.41 -0.53 0.00 0.00 176.83 175.67 3bjm n THR 570 N -4.14 1.36 1.00 2.23 -1.04 -0.22 -4.54 114.28 108.93 3bjm n THR 570 Ca -0.05 -0.56 0.12 0.00 -2.04 0.00 0.00 64.05 61.52 3bjm n THR 570 Cb 0.56 -1.23 0.10 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.13 2.28 -3.54 -2.82 -0.58 -1.01 -4.97 120.64 106.87 3bjm n GLU 571 Ca -0.41 -1.89 -0.26 0.00 -0.42 0.00 0.00 57.16 54.18 3bjm n GLU 571 Cb 0.97 -1.46 0.03 0.00 -0.57 0.00 0.00 31.44 30.42 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 1.30 -5.24 -4.87 1.62 3.02 -0.69 -4.91 115.26 105.49 3bjm n ASN 572 Ca 0.14 -0.55 -0.34 0.00 -0.03 0.00 0.00 54.58 53.80 3bjm n ASN 572 Cb 0.59 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.51 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 -3.20 5.31 -0.13 2.41 1.01 -0.53 -4.56 121.20 121.50 3bjm s ILE 573 Ca 0.52 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 3bjm s ILE 573 Cb -0.25 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3bjm s ILE 573 CO 0.64 0.39 0.51 -0.63 0.00 0.00 0.00 174.94 175.85 3bjm s ILE 574 N -1.24 5.15 -0.33 2.92 1.01 -0.79 -3.56 121.20 124.37 3bjm s ILE 574 Ca 0.24 1.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 3bjm s ILE 574 Cb -0.12 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.52 3bjm s ILE 574 CO 0.15 0.28 0.11 -0.69 0.00 0.00 0.00 174.94 174.78 3bjm s VAL 575 N 0.90 3.94 0.02 2.92 1.01 -1.02 -0.33 120.40 127.85 3bjm s VAL 575 Ca 0.27 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3bjm s VAL 575 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3bjm s VAL 575 CO 0.11 -0.09 0.11 0.00 0.00 0.00 0.00 175.10 175.23 3bjm s ALA 576 N 1.46 3.68 0.04 5.51 0.00 0.29 -1.10 121.76 131.63 3bjm s ALA 576 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3bjm s ALA 576 Cb -0.19 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3bjm s ALA 576 CO 0.03 0.73 -0.11 -1.12 0.00 0.00 0.00 175.76 175.29 3bjm s SER 577 N -1.99 1.28 -0.03 0.00 0.01 -0.66 0.19 113.70 112.51 3bjm s SER 577 Ca 0.26 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3bjm s SER 577 Cb -0.12 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3bjm s SER 577 CO 0.18 -0.03 -0.07 0.12 0.41 0.00 0.00 173.24 173.85 3bjm s PHE 578 N -0.91 0.80 -0.47 2.43 5.36 -1.26 -1.08 117.98 122.86 3bjm s PHE 578 Ca -0.02 -0.20 -0.13 0.00 -0.96 0.00 0.00 56.93 55.61 3bjm s PHE 578 Cb -0.08 -0.61 0.09 0.00 -0.34 0.00 0.00 43.02 42.08 3bjm s PHE 578 CO 0.01 -0.12 0.38 -0.51 -1.46 0.00 0.00 175.22 173.52 3bjm s ASP 579 N 0.39 5.99 0.00 6.13 1.01 -0.15 -4.83 116.67 125.22 3bjm s ASP 579 Ca -0.05 -1.51 0.00 0.00 0.71 0.00 0.00 52.55 51.69 3bjm s ASP 579 Cb -0.10 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3bjm s ASP 579 CO 0.00 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.33 3bjm n GLY 580 N 5.12 1.68 3.76 0.21 0.00 -1.26 -3.90 105.19 110.79 3bjm n GLY 580 Ca -0.12 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3bjm n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjm n ARG 581 N 0.00 2.36 0.00 1.61 1.74 -1.26 -1.47 116.66 119.64 3bjm n ARG 581 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3bjm n ARG 581 Cb 0.00 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 28.84 3bjm n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bjm n GLY 582 N 0.57 3.37 3.82 -0.13 0.00 -0.12 -4.13 105.19 108.57 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 -0.82 5.50 0.60 1.61 1.04 -0.54 0.19 113.70 121.27 3bjm s SER 583 Ca 0.00 1.62 0.08 0.00 0.48 0.00 0.00 55.95 58.14 3bjm s SER 583 Cb 0.00 -2.50 0.09 0.00 0.10 0.00 0.00 66.02 63.72 3bjm s SER 583 CO 0.00 -1.36 0.82 -0.83 0.98 0.00 0.00 173.24 172.85 3bjm s GLY 584 N -3.72 1.73 -0.41 7.32 0.00 -0.50 -3.72 107.32 108.02 3bjm s GLY 584 Ca 0.58 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3bjm s GLY 584 CO 0.53 -1.63 0.00 -1.72 0.00 0.00 0.00 173.10 170.28 3bjm n TYR 585 N -2.33 0.00 -1.55 1.90 4.01 -1.26 -4.81 117.16 113.12 3bjm n TYR 585 Ca 0.16 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.94 3bjm n TYR 585 Cb 0.62 -1.37 0.06 0.00 -0.31 0.00 0.00 39.34 38.34 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 -1.61 0.60 0.00 -0.72 6.02 -1.26 -4.45 117.38 115.96 3bjm n GLN 586 Ca -0.04 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.27 3bjm n GLN 586 Cb 0.29 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 -0.63 0.64 0.14 1.08 0.00 -1.26 -4.65 105.19 100.50 3bjm n GLY 587 Ca 0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -0.33 1.61 3.32 -0.91 -1.87 116.42 118.23 3bjm h ASP 588 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3bjm h ASP 588 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3bjm h ASP 588 CO 0.00 0.63 -0.08 0.50 -1.72 0.00 0.00 179.24 178.56 3bjm h LYS 589 N 0.00 0.00 0.03 3.56 3.64 -1.86 0.96 116.57 122.89 3bjm h LYS 589 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bjm h LYS 589 Cb 1.12 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3bjm h LYS 589 CO 0.08 0.00 -0.01 0.82 -2.27 0.00 0.00 179.45 178.07 3bjm h ILE 590 N 0.00 1.37 -0.67 2.00 2.04 -1.80 -3.20 117.51 117.25 3bjm h ILE 590 Ca 0.16 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3bjm h ILE 590 Cb 0.24 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3bjm h ILE 590 CO -0.34 0.33 0.21 -0.03 0.00 0.00 0.00 178.15 178.31 3bjm h MET 591 N -0.61 1.04 -0.01 2.37 4.05 -1.08 -0.24 114.93 120.44 3bjm h MET 591 Ca -0.00 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 3bjm h MET 591 Cb 0.56 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3bjm h MET 591 CO 0.01 0.90 -0.00 0.72 0.23 0.00 0.00 176.91 178.77 3bjm n HIS 592 N -4.34 0.00 0.29 1.39 8.25 0.31 -3.94 115.22 117.18 3bjm n HIS 592 Ca 0.05 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.68 3bjm n HIS 592 Cb 0.22 -0.00 0.90 0.00 1.12 0.00 0.00 29.99 32.22 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 4.27 1.42 -0.02 -1.41 0.00 -1.50 -0.35 119.26 121.66 3bjm h ALA 593 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bjm h ALA 593 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3bjm h ALA 593 CO 0.00 -0.30 -0.02 1.51 0.00 0.00 0.00 179.25 180.44 3bjm n ILE 594 N -3.16 0.00 -1.65 0.00 0.13 -1.26 -4.94 119.36 108.49 3bjm n ILE 594 Ca -0.01 -0.41 -0.47 0.00 -1.10 0.00 0.00 62.75 60.77 3bjm n ILE 594 Cb 0.34 1.17 -0.04 0.00 -0.84 0.00 0.00 39.64 40.26 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 0.91 2.77 -1.63 9.51 5.15 -0.15 -1.11 115.26 130.72 3bjm n ASN 595 Ca 0.15 1.10 -0.18 0.00 -0.60 0.00 0.00 54.58 55.05 3bjm n ASN 595 Cb 0.52 -1.38 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 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 2.99 -1.45 -2.71 1.20 1.74 0.17 -4.81 116.66 113.80 3bjm n ARG 596 Ca 0.16 1.07 -0.05 0.00 -0.77 0.00 0.00 57.85 58.25 3bjm n ARG 596 Cb 0.28 -5.44 0.09 0.00 -1.02 0.00 0.00 32.46 26.36 3bjm n ARG 596 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3bjm n ARG 597 N -2.29 1.30 -2.05 5.56 3.00 -0.27 -4.90 116.66 117.01 3bjm n ARG 597 Ca -0.19 -2.36 -0.39 0.00 -0.00 0.00 0.00 57.85 54.91 3bjm n ARG 597 Cb 0.61 -0.53 -0.00 0.00 0.00 0.00 0.00 32.46 32.54 3bjm n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3bjm s LEU 598 N -3.46 4.17 -0.10 6.15 1.43 -1.23 -3.34 118.68 122.30 3bjm s LEU 598 Ca 0.22 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 3bjm s LEU 598 Cb 0.41 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3bjm s LEU 598 CO -0.05 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.22 3bjm n GLY 599 N 0.65 0.36 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.89 3bjm n GLY 599 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3bjm n GLY 599 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3bjm n THR 600 N -3.74 0.00 -0.20 2.61 5.66 -1.21 -4.73 114.28 112.67 3bjm n THR 600 Ca -0.01 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.00 3bjm n THR 600 Cb 0.39 -0.08 0.26 0.00 -1.55 0.00 0.00 70.33 69.35 3bjm n THR 600 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3bjm h PHE 601 N 0.00 0.91 0.00 1.09 0.04 -1.93 0.15 116.94 117.21 3bjm h PHE 601 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3bjm h PHE 601 Cb 0.00 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.84 3bjm h PHE 601 CO 0.00 0.57 -0.02 1.05 -0.60 0.00 0.00 178.31 179.31 3bjm h GLU 602 N 0.98 0.00 0.17 1.51 9.09 -1.91 -0.72 114.58 123.70 3bjm h GLU 602 Ca 0.26 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.39 3bjm h GLU 602 Cb -0.11 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.00 3bjm h GLU 602 CO -0.06 0.02 -1.33 0.28 0.05 0.00 0.00 179.01 177.97 3bjm h VAL 603 N 0.00 1.20 -0.70 -1.06 2.07 -1.35 -3.13 116.25 113.29 3bjm h VAL 603 Ca -0.00 -2.53 -0.00 0.00 0.82 0.00 0.00 66.70 64.99 3bjm h VAL 603 Cb 0.74 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 3bjm h VAL 603 CO 0.00 0.76 0.42 -0.33 0.02 0.00 0.00 177.57 178.45 3bjm h GLU 604 N -0.14 0.95 -0.54 1.57 5.08 -0.97 -2.85 114.58 117.68 3bjm h GLU 604 Ca -0.26 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 3bjm h GLU 604 Cb 1.89 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 3bjm h GLU 604 CO 0.16 0.67 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.39 3bjm h ASP 605 N 0.95 0.90 -0.66 1.42 3.32 -1.25 0.11 116.42 121.21 3bjm h ASP 605 Ca 0.25 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3bjm h ASP 605 Cb -0.03 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3bjm h ASP 605 CO -0.05 0.97 0.39 1.56 -1.72 0.00 0.00 179.24 180.39 3bjm h GLN 606 N 0.86 0.92 -0.03 3.56 1.08 -1.49 -0.58 115.11 119.42 3bjm h GLN 606 Ca 0.16 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3bjm h GLN 606 Cb 0.52 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3bjm h GLN 606 CO 0.03 0.66 -0.00 0.82 -0.95 0.00 0.00 178.83 179.38 3bjm h ILE 607 N 0.93 1.28 -0.48 2.54 2.04 -1.07 -2.60 117.51 120.15 3bjm h ILE 607 Ca 0.24 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3bjm h ILE 607 Cb -0.01 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3bjm h ILE 607 CO -0.04 0.23 0.12 -0.08 0.00 0.00 0.00 178.15 178.37 3bjm h GLU 608 N -0.27 0.73 -0.46 2.37 4.57 -0.83 -0.96 114.58 119.72 3bjm h GLU 608 Ca 0.01 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3bjm h GLU 608 Cb 0.37 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3bjm h GLU 608 CO 0.00 0.66 0.19 0.00 -1.18 0.00 0.00 179.01 178.69 3bjm h ALA 609 N 1.42 1.47 -0.30 2.92 0.00 -1.12 -1.06 119.26 122.60 3bjm h ALA 609 Ca 0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3bjm h ALA 609 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bjm h ALA 609 CO -0.00 0.41 -0.39 0.00 0.00 0.00 0.00 179.25 179.27 3bjm h ALA 610 N 1.56 0.45 -0.23 0.00 0.00 -0.81 -0.94 119.26 119.30 3bjm h ALA 610 Ca 0.16 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3bjm h ALA 610 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3bjm h ALA 610 CO -0.02 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.84 3bjm h ARG 611 N 0.55 0.15 -0.47 0.00 3.08 -0.93 -0.24 114.38 116.53 3bjm h ARG 611 Ca 0.04 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3bjm h ARG 611 Cb 0.98 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3bjm h ARG 611 CO 0.09 0.10 0.11 1.96 -1.07 0.00 0.00 179.97 181.16 3bjm h GLN 612 N 0.15 0.70 -0.76 0.04 4.20 -1.05 -0.49 115.11 117.90 3bjm h GLN 612 Ca 0.10 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3bjm h GLN 612 Cb 0.08 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3bjm h GLN 612 CO -0.12 0.64 0.26 0.74 -0.67 0.00 0.00 178.83 179.68 3bjm h PHE 613 N 0.68 1.19 -0.81 2.96 0.04 -0.86 -2.75 116.94 117.38 3bjm h PHE 613 Ca 0.15 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3bjm h PHE 613 Cb 0.26 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3bjm h PHE 613 CO 0.01 0.92 0.53 0.77 -0.60 0.00 0.00 178.31 179.95 3bjm h SER 614 N 1.12 0.81 -0.48 2.17 0.02 0.56 -2.43 113.55 115.32 3bjm h SER 614 Ca 0.25 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3bjm h SER 614 Cb 0.27 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3bjm h SER 614 CO -0.01 0.54 0.22 0.11 -1.14 0.00 0.00 176.83 176.55 3bjm h LYS 615 N 0.93 0.69 -6.51 3.45 1.79 -1.04 -3.44 116.57 112.45 3bjm h LYS 615 Ca 0.34 -0.11 -0.59 0.00 -2.18 0.00 0.00 60.65 58.11 3bjm h LYS 615 Cb 0.16 -0.12 0.14 0.00 -1.58 0.00 0.00 32.23 30.82 3bjm h LYS 615 CO -0.11 0.59 -0.07 -1.33 -1.08 0.00 0.00 179.45 177.45 3bjm n MET 616 N -4.62 1.00 -0.11 3.15 2.81 -0.92 -4.81 117.12 113.62 3bjm n MET 616 Ca 0.01 0.36 0.03 0.00 -1.81 0.00 0.00 57.70 56.30 3bjm n MET 616 Cb 0.12 -1.81 0.09 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.44 0.05 0.07 3.03 0.00 -1.26 -3.31 105.19 105.20 3bjm n GLY 617 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.11 0.04 -4.20 1.61 1.16 -1.26 -4.63 117.46 110.30 3bjm n PHE 618 Ca 0.07 -0.40 -0.34 0.00 -1.87 0.00 0.00 57.45 54.91 3bjm n PHE 618 Cb 0.19 -0.04 -0.11 0.00 -1.61 0.00 0.00 39.48 37.91 3bjm n PHE 618 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3bjm s VAL 619 N -0.81 4.22 -0.35 1.97 -7.23 -1.21 0.93 120.40 117.91 3bjm s VAL 619 Ca 0.02 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 3bjm s VAL 619 Cb 0.01 -2.88 0.01 0.00 0.56 0.00 0.00 36.38 34.08 3bjm s VAL 619 CO 0.02 0.47 1.32 -0.62 -0.31 0.00 0.00 175.10 175.97 3bjm s ASP 620 N 0.51 6.56 0.00 4.85 -1.08 0.15 -4.70 116.67 122.96 3bjm s ASP 620 Ca -0.01 1.02 0.18 0.00 -0.52 0.00 0.00 52.55 53.23 3bjm s ASP 620 Cb -0.14 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.66 3bjm s ASP 620 CO 0.02 -1.21 1.57 -0.46 0.52 0.00 0.00 175.17 175.62 3bjm n ASN 621 N 8.03 0.00 0.05 -0.34 6.94 -1.26 -1.82 115.26 126.86 3bjm n ASN 621 Ca 0.15 0.20 0.12 0.00 -0.02 0.00 0.00 54.58 55.04 3bjm n ASN 621 Cb 0.47 -0.37 0.23 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.37 0.23 -3.31 -3.83 5.02 -1.26 -4.44 118.16 109.21 3bjm n LYS 622 Ca 0.07 0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 3bjm n LYS 622 Cb 0.17 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.01 1.81 -3.99 1.97 1.74 -0.76 -4.81 116.66 110.61 3bjm n ARG 623 Ca 0.04 -4.08 -0.35 0.00 -0.77 0.00 0.00 57.85 52.69 3bjm n ARG 623 Cb 0.42 -1.83 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.02 3.59 0.36 0.55 -1.09 -1.26 -0.95 121.20 120.39 3bjm s ILE 624 Ca 0.38 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.46 3bjm s ILE 624 Cb 0.16 -2.63 -0.06 0.00 -1.58 0.00 0.00 42.46 38.36 3bjm s ILE 624 CO -0.05 0.42 0.03 0.00 -1.23 0.00 0.00 174.94 174.11 3bjm s ALA 625 N 1.30 3.25 -0.04 9.38 0.00 0.99 -1.01 121.76 135.63 3bjm s ALA 625 Ca 0.04 -2.03 -0.07 0.00 0.00 0.00 0.00 51.96 49.90 3bjm s ALA 625 Cb -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3bjm s ALA 625 CO -0.01 0.01 0.16 -1.50 0.00 0.00 0.00 175.76 174.43 3bjm s ILE 626 N -2.56 0.03 0.13 0.00 2.07 -0.91 0.02 121.20 120.00 3bjm s ILE 626 Ca 0.36 -0.28 -0.21 0.00 -1.41 0.00 0.00 60.65 59.11 3bjm s ILE 626 Cb 0.02 -0.33 0.06 0.00 0.13 0.00 0.00 42.46 42.34 3bjm s ILE 626 CO 0.20 -0.15 0.54 -1.66 -1.91 0.00 0.00 174.94 171.95 3bjm s TRP 627 N -0.51 -0.44 -0.02 3.50 1.48 -0.67 -0.82 118.94 121.47 3bjm s TRP 627 Ca -0.06 0.25 -0.30 0.00 -1.06 0.00 0.00 56.10 54.93 3bjm s TRP 627 Cb -0.04 0.45 0.11 0.00 -1.16 0.00 0.00 33.47 32.84 3bjm s TRP 627 CO 0.01 -0.78 1.20 0.20 -4.06 0.00 0.00 176.95 173.52 3bjm s GLY 628 N -2.64 -0.37 -0.06 3.67 0.00 -0.93 -1.33 107.32 105.66 3bjm s GLY 628 Ca 0.01 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.52 3bjm s GLY 628 CO -0.11 0.18 -0.11 0.86 0.00 0.00 0.00 173.10 173.92 3bjm s TRP 629 N -2.59 2.81 0.00 1.90 -0.11 -1.26 -1.68 118.94 118.01 3bjm s TRP 629 Ca 0.13 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.35 3bjm s TRP 629 Cb 0.03 -1.67 0.00 0.00 -1.50 0.00 0.00 33.47 30.32 3bjm s TRP 629 CO -0.03 0.23 0.00 0.45 -4.62 0.00 0.00 176.95 172.98 3bjm n SER 630 N 2.32 0.00 -0.09 5.86 2.88 0.07 -0.55 113.62 124.11 3bjm n SER 630 Ca -0.18 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3bjm n SER 630 Cb 0.52 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.25 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 0.72 0.00 0.66 5.03 -1.87 0.23 116.97 121.75 3bjm h TYR 631 Ca 0.00 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 3bjm h TYR 631 Cb 0.00 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.05 3bjm h TYR 631 CO 0.00 0.58 -0.10 0.78 -1.32 0.00 0.00 178.16 178.10 3bjm h GLY 632 N 0.87 0.00 1.74 1.82 0.00 -0.85 -0.11 103.07 106.55 3bjm h GLY 632 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.27 3bjm h GLY 632 CO -0.01 0.00 -1.05 -1.33 0.00 0.00 0.00 176.54 174.14 3bjm h GLY 633 N 0.35 0.23 0.97 4.60 0.00 -0.54 -1.05 103.07 107.63 3bjm h GLY 633 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3bjm h GLY 633 CO 0.01 0.45 -0.45 -1.82 0.00 0.00 0.00 176.54 174.73 3bjm h TYR 634 N 0.08 -1.17 -0.54 5.60 3.20 -0.53 -1.25 116.97 122.37 3bjm h TYR 634 Ca -0.08 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.84 3bjm h TYR 634 Cb 1.75 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 40.34 3bjm h TYR 634 CO 0.04 -0.73 0.20 0.28 -1.64 0.00 0.00 178.16 176.31 3bjm h VAL 635 N -1.31 0.82 -0.84 1.81 2.07 -1.10 0.84 116.25 118.54 3bjm h VAL 635 Ca -0.13 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.37 3bjm h VAL 635 Cb 0.97 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3bjm h VAL 635 CO 0.21 0.07 0.46 0.74 0.02 0.00 0.00 177.57 179.07 3bjm h THR 636 N 0.38 0.84 -0.27 2.57 2.02 -1.16 0.64 112.91 117.94 3bjm h THR 636 Ca 0.26 -0.25 -0.18 0.00 0.77 0.00 0.00 66.41 67.02 3bjm h THR 636 Cb 0.29 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3bjm h THR 636 CO -0.26 0.13 -0.52 0.28 0.37 0.00 0.00 175.52 175.53 3bjm h SER 637 N 0.73 0.92 -0.48 4.18 0.02 0.17 -1.16 113.55 117.94 3bjm h SER 637 Ca 0.42 -0.54 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 3bjm h SER 637 Cb 0.47 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3bjm h SER 637 CO -0.29 1.29 -0.06 0.24 -1.14 0.00 0.00 176.83 176.87 3bjm h MET 638 N 0.60 0.93 -0.11 3.45 2.86 -0.42 -0.83 114.93 121.41 3bjm h MET 638 Ca 0.01 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3bjm h MET 638 Cb 1.12 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 3bjm h MET 638 CO 0.12 0.96 0.04 0.28 1.06 0.00 0.00 176.91 179.36 3bjm h VAL 639 N 0.84 1.16 0.00 -2.22 2.07 -0.83 -2.36 116.25 114.92 3bjm h VAL 639 Ca 0.15 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3bjm h VAL 639 Cb 0.58 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3bjm h VAL 639 CO 0.04 0.14 -0.08 -0.07 0.02 0.00 0.00 177.57 177.62 3bjm h LEU 640 N -0.00 0.00 -2.79 2.57 3.38 -1.02 -1.84 115.31 115.61 3bjm h LEU 640 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3bjm h LEU 640 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3bjm h LEU 640 CO -0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3bjm n GLY 641 N -0.98 2.43 0.11 0.83 0.00 -0.33 -4.28 105.19 102.96 3bjm n GLY 641 Ca -0.02 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3bjm n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bjm h SER 642 N 3.93 0.00 0.00 1.61 4.64 -0.79 -3.43 113.55 119.51 3bjm h SER 642 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3bjm h SER 642 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3bjm h SER 642 CO 0.14 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3bjm n GLY 643 N 1.20 0.55 0.35 -0.77 0.00 -1.26 -4.89 105.19 100.37 3bjm n GLY 643 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.91 -3.44 113.55 114.45 3bjm h SER 644 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bjm h SER 644 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bjm h SER 644 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3bjm n GLY 645 N -1.44 0.75 0.15 -0.77 0.00 -1.26 -4.86 105.19 97.77 3bjm n GLY 645 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.96 -3.85 1.61 2.07 -1.96 -3.45 116.25 111.62 3bjm h VAL 646 Ca 0.00 -2.07 -0.68 0.00 0.82 0.00 0.00 66.70 64.77 3bjm h VAL 646 Cb 0.01 2.27 -0.25 0.00 -1.52 0.00 0.00 31.29 31.81 3bjm h VAL 646 CO 0.00 0.49 -0.78 -0.36 0.02 0.00 0.00 177.57 176.95 3bjm s PHE 647 N -3.19 2.71 0.02 1.57 0.40 -1.26 -4.67 117.98 113.56 3bjm s PHE 647 Ca 0.02 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.87 3bjm s PHE 647 Cb 0.09 -1.68 -0.35 0.00 0.51 0.00 0.00 43.02 41.59 3bjm s PHE 647 CO 0.73 0.06 0.97 -0.22 0.70 0.00 0.00 175.22 177.46 3bjm h LYS 648 N 5.74 0.52 -3.06 0.44 3.64 -1.39 -3.46 116.57 119.01 3bjm h LYS 648 Ca -0.40 -0.89 0.00 0.00 -1.27 0.00 0.00 60.65 58.09 3bjm h LYS 648 Cb 1.17 0.33 -0.10 0.00 -0.41 0.00 0.00 32.23 33.22 3bjm h LYS 648 CO 0.51 1.43 0.18 0.00 -2.27 0.00 0.00 179.45 179.30 3bjm s GLY 650 N -2.82 -0.31 -0.13 0.00 0.00 -0.41 -2.13 107.32 101.53 3bjm s GLY 650 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3bjm s GLY 650 CO -0.06 -0.23 -0.14 -0.42 0.00 0.00 0.00 173.10 172.26 3bjm s ILE 651 N -3.69 1.46 -0.20 0.90 1.01 0.00 -1.91 121.20 118.78 3bjm s ILE 651 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3bjm s ILE 651 Cb 0.01 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3bjm s ILE 651 CO -0.11 0.44 -0.04 0.00 0.00 0.00 0.00 174.94 175.22 3bjm s ALA 652 N 1.32 2.85 -0.18 9.38 0.00 -0.56 -2.19 121.76 132.38 3bjm s ALA 652 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 3bjm s ALA 652 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 3bjm s ALA 652 CO -0.07 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 3bjm s VAL 653 N 1.10 3.05 -1.22 0.00 1.01 -0.67 -1.66 120.40 122.01 3bjm s VAL 653 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3bjm s VAL 653 Cb -0.15 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3bjm s VAL 653 CO -0.00 0.48 0.70 0.00 0.00 0.00 0.00 175.10 176.28 3bjm n ALA 654 N 4.24 -2.34 -1.91 5.51 0.00 0.60 -0.75 120.51 125.86 3bjm n ALA 654 Ca -0.19 -0.22 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 3bjm n ALA 654 Cb 0.51 -3.27 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 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 -6.04 4.55 0.44 0.00 0.04 -1.26 -2.53 135.00 130.19 3bjm s PRO 655 Ca 0.29 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 3bjm s PRO 655 Cb -0.10 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 3bjm s PRO 655 CO 0.85 0.43 1.18 0.08 0.04 0.00 0.00 177.00 179.59 3bjm s VAL 656 N -1.38 3.05 0.00 -0.36 1.01 -1.23 -4.42 120.40 117.06 3bjm s VAL 656 Ca 0.43 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3bjm s VAL 656 Cb -0.21 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3bjm s VAL 656 CO 0.25 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.84 3bjm n SER 657 N -0.26 2.88 -3.68 3.32 3.41 -1.26 -4.06 113.62 113.97 3bjm n SER 657 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 3bjm n SER 657 Cb 0.47 0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.35 0.44 0.51 4.33 3.52 -1.26 -1.03 118.95 124.12 3bjm s ARG 658 Ca 0.00 0.91 0.30 0.00 -0.13 0.00 0.00 55.73 56.81 3bjm s ARG 658 Cb 0.00 0.06 1.03 0.00 -1.56 0.00 0.00 34.95 34.48 3bjm s ARG 658 CO 0.00 -0.17 1.86 -1.49 -0.81 0.00 0.00 175.30 174.69 3bjm h TRP 659 N 7.24 0.00 0.00 5.12 4.06 -1.87 -1.65 115.95 128.84 3bjm h TRP 659 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 3bjm h TRP 659 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 3bjm h TRP 659 CO 0.21 0.01 0.00 0.93 -3.56 0.00 0.00 178.44 176.03 3bjm h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.87 114.58 115.37 3bjm h GLU 660 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3bjm h GLU 660 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3bjm h GLU 660 CO 0.00 0.00 -0.61 1.88 -1.00 0.00 0.00 179.01 179.28 3bjm h TYR 661 N 0.00 0.00 -3.11 4.33 0.05 -1.68 -3.26 116.97 113.30 3bjm h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3bjm h TYR 661 Cb 0.22 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.05 3bjm h TYR 661 CO 0.00 0.44 0.17 -0.47 -1.05 0.00 0.00 178.16 177.25 3bjm s TYR 662 N -3.00 2.34 0.56 4.88 5.04 -1.08 -4.80 117.35 121.28 3bjm s TYR 662 Ca 0.03 0.13 -0.16 0.00 -2.44 0.00 0.00 57.07 54.64 3bjm s TYR 662 Cb 0.08 -3.18 -0.06 0.00 0.35 0.00 0.00 41.96 39.15 3bjm s TYR 662 CO 0.75 -1.57 1.02 0.16 -1.34 0.00 0.00 175.55 174.57 3bjm s ASP 663 N -4.62 6.22 0.12 4.32 1.47 -1.26 -1.29 116.67 121.64 3bjm s ASP 663 Ca 0.63 1.65 -0.18 0.00 1.18 0.00 0.00 52.55 55.83 3bjm s ASP 663 Cb -0.08 -2.51 -0.05 0.00 -0.34 0.00 0.00 42.92 39.94 3bjm s ASP 663 CO 0.45 -0.87 1.71 0.77 0.68 0.00 0.00 175.17 177.91 3bjm h SER 664 N 0.56 0.36 -0.52 2.11 4.64 -1.09 -2.14 113.55 117.48 3bjm h SER 664 Ca -0.46 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 60.67 3bjm h SER 664 Cb 1.20 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3bjm h SER 664 CO 0.60 0.36 0.04 0.58 -0.87 0.00 0.00 176.83 177.54 3bjm h VAL 665 N 0.33 1.25 0.06 0.95 2.07 -1.93 0.13 116.25 119.11 3bjm h VAL 665 Ca 0.10 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 3bjm h VAL 665 Cb 0.09 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3bjm h VAL 665 CO -0.01 0.37 -0.38 0.22 0.02 0.00 0.00 177.57 177.79 3bjm h TYR 666 N 0.87 0.27 -0.12 1.57 5.03 -1.93 -3.26 116.97 119.40 3bjm h TYR 666 Ca 0.17 -0.19 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 3bjm h TYR 666 Cb 0.46 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 3bjm h TYR 666 CO 0.03 1.12 -0.06 1.15 -1.32 0.00 0.00 178.16 179.08 3bjm h THR 667 N -0.66 1.32 0.00 1.81 2.02 -1.27 -3.03 112.91 113.10 3bjm h THR 667 Ca -0.06 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 3bjm h THR 667 Cb 1.27 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3bjm h THR 667 CO 0.07 0.31 -0.22 -0.33 0.37 0.00 0.00 175.52 175.73 3bjm h GLU 668 N -0.11 0.00 -0.90 6.66 5.08 -1.14 0.11 114.58 124.27 3bjm h GLU 668 Ca 0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3bjm h GLU 668 Cb 0.52 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 3bjm h GLU 668 CO 0.02 0.22 0.58 -0.09 -1.00 0.00 0.00 179.01 178.74 3bjm h ARG 669 N 0.00 0.87 0.00 2.33 2.43 -1.57 -0.89 114.38 117.56 3bjm h ARG 669 Ca -0.00 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.78 3bjm h ARG 669 Cb 0.49 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3bjm h ARG 669 CO 0.03 0.58 -2.26 0.66 -1.51 0.00 0.00 179.97 177.46 3bjm n TYR 670 N -4.53 0.00 0.52 2.20 4.01 -0.78 -4.69 117.16 113.89 3bjm n TYR 670 Ca 0.15 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 3bjm n TYR 670 Cb 0.31 -0.91 0.02 0.00 -0.31 0.00 0.00 39.34 38.45 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 -2.69 1.46 0.00 -0.72 2.81 0.30 0.41 117.12 118.70 3bjm n MET 671 Ca -0.30 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 3bjm n MET 671 Cb 1.10 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 32.43 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 0.86 0.57 3.88 3.03 0.00 -0.35 -4.64 105.19 108.54 3bjm n GLY 672 Ca 0.06 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 4.33 -0.01 0.99 1.43 -1.26 -4.25 118.68 119.90 3bjm s LEU 673 Ca 0.00 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 3bjm s LEU 673 Cb 0.00 -3.02 -0.24 0.00 0.03 0.00 0.00 46.19 42.96 3bjm s LEU 673 CO 0.00 0.15 3.45 -0.81 0.23 0.00 0.00 176.35 179.38 3bjm n PRO 674 N 0.73 1.91 -4.30 1.29 -0.04 -1.26 -2.13 135.00 131.20 3bjm n PRO 674 Ca -0.07 -0.93 -0.24 0.00 -0.04 0.00 0.00 63.50 62.21 3bjm n PRO 674 Cb 0.52 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.83 3.34 0.56 0.52 -4.23 -1.26 -4.63 115.64 110.77 3bjm s THR 675 Ca 0.60 -1.84 0.24 0.00 -1.18 0.00 0.00 61.69 59.52 3bjm s THR 675 Cb 0.29 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.72 3bjm s THR 675 CO -0.00 -0.28 2.17 -0.65 -0.54 0.00 0.00 174.62 175.32 3bjm h PRO 676 N 2.26 0.00 0.00 3.99 0.11 -1.96 -1.17 132.00 135.23 3bjm h PRO 676 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3bjm h PRO 676 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3bjm h PRO 676 CO 0.58 0.00 -0.35 0.93 -0.21 0.00 0.00 178.00 178.96 3bjm h GLU 677 N 0.00 0.00 0.00 1.05 3.07 -1.95 -3.45 114.58 113.30 3bjm h GLU 677 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3bjm h GLU 677 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3bjm h GLU 677 CO -0.00 0.35 0.00 -3.47 -1.40 0.00 0.00 179.01 174.49 3bjm n ASP 678 N -3.28 0.00 -0.57 1.42 -0.08 -0.55 -5.01 116.55 108.48 3bjm n ASP 678 Ca 0.01 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.33 3bjm n ASP 678 Cb 0.60 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.11 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 0.90 -0.33 1.67 4.05 -0.91 -4.84 115.26 115.81 3bjm n ASN 679 Ca 0.00 -2.43 0.17 0.00 0.45 0.00 0.00 54.58 52.77 3bjm n ASN 679 Cb 0.00 -0.30 0.38 0.00 1.23 0.00 0.00 39.78 41.08 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 0.25 0.46 -0.99 1.20 7.12 -1.36 -2.30 115.31 119.69 3bjm h LEU 680 Ca -0.04 0.16 -0.08 0.00 0.13 0.00 0.00 57.88 58.05 3bjm h LEU 680 Cb 1.35 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.58 3bjm h LEU 680 CO 0.02 -0.02 -0.16 0.44 -0.13 0.00 0.00 178.44 178.58 3bjm h ASP 681 N 0.42 0.53 1.34 1.25 3.32 -1.88 -1.36 116.42 120.04 3bjm h ASP 681 Ca 0.63 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 3bjm h ASP 681 Cb 1.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3bjm h ASP 681 CO -0.55 0.71 -0.68 -0.74 -1.72 0.00 0.00 179.24 176.27 3bjm h HIS 682 N 0.49 0.00 -0.21 4.55 2.76 -1.77 -2.20 115.15 118.77 3bjm h HIS 682 Ca 0.08 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3bjm h HIS 682 Cb 0.57 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 3bjm h HIS 682 CO 0.02 0.52 -0.22 1.88 -1.30 0.00 0.00 177.93 178.83 3bjm h TYR 683 N 0.00 -0.57 0.00 5.26 -1.99 -1.14 -2.35 116.97 116.18 3bjm h TYR 683 Ca -0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3bjm h TYR 683 Cb 1.42 0.29 0.00 0.00 2.00 0.00 0.00 36.73 40.44 3bjm h TYR 683 CO 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 178.16 177.86 3bjm h ARG 684 N -0.24 0.00 -0.01 4.88 -0.00 -1.23 -3.08 114.38 114.71 3bjm h ARG 684 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.61 3bjm h ARG 684 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 3bjm h ARG 684 CO -0.35 0.00 -0.37 -1.71 0.00 0.00 0.00 179.97 177.54 3bjm n ASN 685 N -3.04 0.88 -0.58 7.04 5.15 -0.83 -4.27 115.26 119.62 3bjm n ASN 685 Ca 0.01 -0.70 0.06 0.00 -0.60 0.00 0.00 54.58 53.35 3bjm n ASN 685 Cb 0.35 0.22 0.20 0.00 -0.53 0.00 0.00 39.78 40.01 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 -0.94 1.83 -4.88 1.20 3.41 -0.92 -5.03 113.62 108.29 3bjm n SER 686 Ca 0.10 -3.81 -0.31 0.00 -0.26 0.00 0.00 58.87 54.58 3bjm n SER 686 Cb 0.35 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.20 4.88 0.24 6.66 -4.23 -1.26 -4.80 115.64 113.93 3bjm s THR 687 Ca 0.38 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 61.33 3bjm s THR 687 Cb 0.36 -3.67 0.09 0.00 1.34 0.00 0.00 72.50 70.62 3bjm s THR 687 CO -0.06 -0.25 1.71 0.58 -0.54 0.00 0.00 174.62 176.07 3bjm h VAL 688 N 1.64 1.25 -0.88 2.29 2.07 -1.43 -3.30 116.25 117.90 3bjm h VAL 688 Ca -0.47 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 65.98 3bjm h VAL 688 Cb 1.18 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3bjm h VAL 688 CO 0.67 0.39 0.57 0.24 0.02 0.00 0.00 177.57 179.46 3bjm h MET 689 N 0.75 1.00 0.00 1.57 2.86 -1.92 -1.33 114.93 117.86 3bjm h MET 689 Ca 0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3bjm h MET 689 Cb 0.54 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3bjm h MET 689 CO 0.03 0.66 0.00 -1.13 1.06 0.00 0.00 176.91 177.53 3bjm n SER 690 N -4.47 0.00 -0.41 1.22 3.41 -1.24 -2.08 113.62 110.05 3bjm n SER 690 Ca 0.12 0.45 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 3bjm n SER 690 Cb 0.16 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.47 2.88 -0.29 4.33 1.74 -0.50 -4.77 116.66 118.58 3bjm n ARG 691 Ca 0.02 -1.84 0.09 0.00 -0.77 0.00 0.00 57.85 55.34 3bjm n ARG 691 Cb 0.06 -1.17 0.21 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 1.30 0.94 -0.99 7.54 0.00 -1.49 -1.98 119.26 124.58 3bjm h ALA 692 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 54.91 55.31 3bjm h ALA 692 Cb 0.64 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3bjm h ALA 692 CO 0.00 -0.46 0.61 0.93 0.00 0.00 0.00 179.25 180.33 3bjm h GLU 693 N 0.09 0.90 0.00 0.00 4.39 -1.86 -1.34 114.58 116.77 3bjm h GLU 693 Ca 0.48 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.13 3bjm h GLU 693 Cb 0.90 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3bjm h GLU 693 CO -0.74 0.60 0.00 0.09 -1.16 0.00 0.00 179.01 177.80 3bjm n ASN 694 N -4.66 0.33 0.08 1.42 3.02 -0.74 -2.85 115.26 111.85 3bjm n ASN 694 Ca 0.19 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.41 3bjm n ASN 694 Cb 0.39 -0.64 0.42 0.00 -0.61 0.00 0.00 39.78 39.34 3bjm n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bjm n PHE 695 N -1.85 0.49 1.04 3.10 3.01 -0.50 -2.57 117.46 120.18 3bjm n PHE 695 Ca 0.04 0.19 0.10 0.00 1.01 0.00 0.00 57.45 58.79 3bjm n PHE 695 Cb 0.23 -0.81 0.54 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.95 0.38 0.00 -1.08 2.85 -1.13 -2.05 118.16 115.18 3bjm n LYS 696 Ca 0.03 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.49 3bjm n LYS 696 Cb 0.22 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.45 3bjm n LYS 696 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3bjm n GLN 697 N -1.22 0.78 -4.13 -1.58 6.02 -1.06 -4.96 117.38 111.23 3bjm n GLN 697 Ca 0.11 -0.47 -0.09 0.00 -0.01 0.00 0.00 57.00 56.54 3bjm n GLN 697 Cb 0.14 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.54 0.35 -0.16 5.09 -7.23 -0.87 -4.94 120.40 110.09 3bjm s VAL 698 Ca 0.23 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 3bjm s VAL 698 Cb 0.19 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3bjm s VAL 698 CO 0.54 -0.81 0.65 -1.61 -0.31 0.00 0.00 175.10 173.55 3bjm s GLU 699 N -3.93 4.28 -0.11 4.82 2.02 -1.00 -5.00 118.70 119.79 3bjm s GLU 699 Ca 0.13 0.69 0.02 0.00 0.02 0.00 0.00 54.97 55.83 3bjm s GLU 699 Cb 0.07 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.78 3bjm s GLU 699 CO -0.05 -0.14 -0.15 -0.47 0.02 0.00 0.00 175.26 174.46 3bjm s TYR 700 N 1.57 1.97 -0.21 1.61 5.04 -1.26 -1.28 117.35 124.78 3bjm s TYR 700 Ca 0.31 -0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 3bjm s TYR 700 Cb -0.16 -1.41 -0.02 0.00 0.35 0.00 0.00 41.96 40.71 3bjm s TYR 700 CO 0.12 -0.46 0.01 -1.17 -1.34 0.00 0.00 175.55 172.71 3bjm s LEU 701 N 0.94 3.25 -0.18 6.97 2.96 -0.80 -0.24 118.68 131.57 3bjm s LEU 701 Ca -0.08 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3bjm s LEU 701 Cb -0.15 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3bjm s LEU 701 CO -0.01 0.04 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.72 3bjm s LEU 702 N 1.16 2.56 -0.00 -0.68 2.96 0.69 -1.50 118.68 123.87 3bjm s LEU 702 Ca 0.03 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3bjm s LEU 702 Cb -0.14 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3bjm s LEU 702 CO 0.01 0.03 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.30 3bjm s ILE 703 N 1.16 1.09 -0.17 6.68 1.01 -0.66 -0.75 121.20 129.56 3bjm s ILE 703 Ca 0.01 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 3bjm s ILE 703 Cb -0.14 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.47 3bjm s ILE 703 CO -0.04 0.25 0.68 -2.28 0.00 0.00 0.00 174.94 173.55 3bjm s HIS 704 N -0.41 -0.71 0.18 3.97 2.46 -0.92 -0.29 115.29 119.57 3bjm s HIS 704 Ca 0.05 1.53 -0.25 0.00 0.47 0.00 0.00 55.06 56.86 3bjm s HIS 704 Cb -0.06 0.31 -0.08 0.00 -0.13 0.00 0.00 32.58 32.63 3bjm s HIS 704 CO -0.00 -0.46 0.79 0.20 -2.47 0.00 0.00 174.74 172.79 3bjm s GLY 705 N -0.28 2.91 0.40 1.59 0.00 -1.26 -1.05 107.32 109.62 3bjm s GLY 705 Ca -0.05 0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.26 3bjm s GLY 705 CO 0.05 0.86 1.64 -0.91 0.00 0.00 0.00 173.10 174.74 3bjm h THR 706 N 3.24 0.38 -0.96 0.90 1.35 -1.43 -3.12 112.91 113.27 3bjm h THR 706 Ca -0.47 -1.36 -0.50 0.00 -0.55 0.00 0.00 66.41 63.53 3bjm h THR 706 Cb 1.20 2.04 -0.30 0.00 -1.73 0.00 0.00 68.15 69.37 3bjm h THR 706 CO 0.66 0.20 0.62 0.00 -0.25 0.00 0.00 175.52 176.75 3bjm n ALA 707 N -2.16 5.55 -2.36 6.62 0.00 -0.56 -4.74 120.51 122.87 3bjm n ALA 707 Ca 0.02 -2.93 -0.41 0.00 0.00 0.00 0.00 53.44 50.12 3bjm n ALA 707 Cb 0.55 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.39 6.07 0.13 0.00 -1.08 -1.18 -4.22 116.67 115.00 3bjm s ASP 708 Ca 0.56 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 53.18 3bjm s ASP 708 Cb 0.48 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 40.35 3bjm s ASP 708 CO 0.10 -1.75 1.80 -0.90 0.52 0.00 0.00 175.17 174.94 3bjm n ASP 709 N 9.79 0.49 -0.03 -0.34 5.75 -1.26 -3.72 116.55 127.23 3bjm n ASP 709 Ca 0.13 0.56 -0.03 0.00 -0.01 0.00 0.00 54.79 55.44 3bjm n ASP 709 Cb 0.49 -0.68 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.97 0.61 -4.30 -1.12 5.15 -1.26 -4.75 115.26 107.62 3bjm n ASN 710 Ca 0.06 0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.71 3bjm n ASN 710 Cb 0.37 -0.55 -0.08 0.00 -0.53 0.00 0.00 39.78 38.99 3bjm n ASN 710 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3bjm s VAL 711 N -1.60 4.74 0.48 3.44 1.01 -1.26 -4.84 120.40 122.37 3bjm s VAL 711 Ca -0.09 -1.44 -0.24 0.00 0.00 0.00 0.00 61.98 60.21 3bjm s VAL 711 Cb 0.01 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3bjm s VAL 711 CO 0.13 -0.69 1.41 -1.00 0.00 0.00 0.00 175.10 174.95 3bjm s HIS 712 N 1.51 2.40 0.46 5.22 3.76 -1.24 -4.71 115.29 122.68 3bjm s HIS 712 Ca 0.04 1.29 0.24 0.00 -0.15 0.00 0.00 55.06 56.49 3bjm s HIS 712 Cb -0.26 -3.89 1.26 0.00 1.11 0.00 0.00 32.58 30.80 3bjm s HIS 712 CO 0.03 -2.95 1.81 0.35 -0.85 0.00 0.00 174.74 173.13 3bjm h PHE 713 N 2.05 0.39 -0.99 1.40 3.57 -1.77 -0.66 116.94 120.93 3bjm h PHE 713 Ca -0.51 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.27 3bjm h PHE 713 Cb 1.28 -0.11 -0.18 0.00 2.79 0.00 0.00 35.95 39.72 3bjm h PHE 713 CO 0.49 0.05 0.00 0.37 -2.23 0.00 0.00 178.31 176.99 3bjm h GLN 714 N 0.24 0.00 -0.94 1.11 4.15 -1.95 0.30 115.11 118.03 3bjm h GLN 714 Ca 0.54 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 60.01 3bjm h GLN 714 Cb 1.66 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.29 3bjm h GLN 714 CO -0.17 0.00 0.61 1.96 -1.93 0.00 0.00 178.83 179.31 3bjm h GLN 715 N 0.00 1.10 0.12 1.69 4.20 -1.41 -0.34 115.11 120.47 3bjm h GLN 715 Ca 0.59 -0.07 -0.27 0.00 0.06 0.00 0.00 58.65 58.97 3bjm h GLN 715 Cb 1.20 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3bjm h GLN 715 CO -0.94 0.73 -1.22 1.03 -0.67 0.00 0.00 178.83 177.76 3bjm h SER 716 N 1.13 0.43 0.34 1.46 0.87 -0.66 -3.04 113.55 114.09 3bjm h SER 716 Ca 0.39 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 3bjm h SER 716 Cb 0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3bjm h SER 716 CO -0.14 1.35 -0.31 0.00 -0.53 0.00 0.00 176.83 177.20 3bjm h ALA 717 N 0.59 1.44 0.01 6.23 0.00 -0.24 -1.76 119.26 125.53 3bjm h ALA 717 Ca -0.13 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 3bjm h ALA 717 Cb 1.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3bjm h ALA 717 CO 0.20 0.39 -0.90 1.96 0.00 0.00 0.00 179.25 180.90 3bjm h GLN 718 N 0.00 0.06 0.00 0.00 1.08 -1.09 -2.64 115.11 112.52 3bjm h GLN 718 Ca -0.00 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3bjm h GLN 718 Cb 0.57 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3bjm h GLN 718 CO 0.04 0.91 -0.00 0.82 -0.95 0.00 0.00 178.83 179.65 3bjm h ILE 719 N 0.03 1.13 -0.53 2.54 2.04 -1.34 -2.20 117.51 119.18 3bjm h ILE 719 Ca -0.02 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3bjm h ILE 719 Cb 1.57 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 3bjm h ILE 719 CO 0.12 0.10 0.07 0.77 0.00 0.00 0.00 178.15 179.22 3bjm h SER 720 N -0.17 0.80 -0.42 1.72 4.64 -1.37 -1.32 113.55 117.44 3bjm h SER 720 Ca -0.00 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 3bjm h SER 720 Cb 0.17 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3bjm h SER 720 CO 0.00 0.83 -0.05 0.50 -0.87 0.00 0.00 176.83 177.23 3bjm h LYS 721 N 0.80 0.85 -0.33 4.77 3.64 -1.46 -0.78 116.57 124.06 3bjm h LYS 721 Ca 0.17 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 3bjm h LYS 721 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3bjm h LYS 721 CO 0.01 0.88 -0.35 0.00 -2.27 0.00 0.00 179.45 177.72 3bjm h ALA 722 N 1.16 0.76 -0.50 5.00 0.00 -0.73 -1.21 119.26 123.74 3bjm h ALA 722 Ca 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3bjm h ALA 722 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3bjm h ALA 722 CO 0.03 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 180.01 3bjm h LEU 723 N 0.63 0.73 -0.65 0.00 3.38 -1.02 -2.92 115.31 115.46 3bjm h LEU 723 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3bjm h LEU 723 Cb 0.89 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3bjm h LEU 723 CO 0.08 0.75 0.34 0.58 0.09 0.00 0.00 178.44 180.28 3bjm h VAL 724 N 0.68 1.21 -0.09 1.22 2.07 -0.97 -1.11 116.25 119.26 3bjm h VAL 724 Ca 0.16 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3bjm h VAL 724 Cb 0.29 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3bjm h VAL 724 CO -0.00 0.24 0.07 0.44 0.02 0.00 0.00 177.57 178.33 3bjm h ASP 725 N 0.90 0.00 -0.38 0.57 3.32 -1.07 -1.73 116.42 118.03 3bjm h ASP 725 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3bjm h ASP 725 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3bjm h ASP 725 CO -0.03 0.00 0.00 0.55 -1.72 0.00 0.00 179.24 178.04 3bjm n VAL 726 N -4.43 0.69 -1.86 -1.35 3.14 -1.04 -4.98 118.33 108.50 3bjm n VAL 726 Ca -0.01 -0.84 -0.02 0.00 -2.96 0.00 0.00 64.34 60.50 3bjm n VAL 726 Cb 0.18 0.77 -0.00 0.00 -1.06 0.00 0.00 33.84 33.72 3bjm n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bjm n GLY 727 N 1.05 0.33 3.69 7.55 0.00 -0.65 -4.98 105.19 112.17 3bjm n GLY 727 Ca 0.16 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.11 5.23 0.31 1.61 1.01 -0.50 -5.03 120.40 120.91 3bjm s VAL 728 Ca 0.00 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 3bjm s VAL 728 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3bjm s VAL 728 CO 0.00 0.29 0.75 -0.62 0.00 0.00 0.00 175.10 175.53 3bjm s ASP 729 N 0.86 6.85 0.21 3.32 2.15 -1.26 -4.54 116.67 124.25 3bjm s ASP 729 Ca 0.19 1.34 -0.23 0.00 0.43 0.00 0.00 52.55 54.29 3bjm s ASP 729 Cb -0.14 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 3bjm s ASP 729 CO 0.07 -0.17 0.92 0.72 -0.17 0.00 0.00 175.17 176.54 3bjm s PHE 730 N -1.91 -0.07 -0.06 -5.34 -0.71 -1.26 -4.78 117.98 103.85 3bjm s PHE 730 Ca 0.53 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.09 3bjm s PHE 730 Cb -0.11 0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 3bjm s PHE 730 CO 0.18 -1.00 -0.04 -0.65 -1.34 0.00 0.00 175.22 172.37 3bjm s GLN 731 N -3.03 2.81 0.16 1.99 -1.52 0.66 -5.02 119.66 115.72 3bjm s GLN 731 Ca 0.14 -0.52 0.05 0.00 -1.95 0.00 0.00 55.36 53.08 3bjm s GLN 731 Cb -0.03 -2.66 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3bjm s GLN 731 CO 0.05 0.67 -0.10 0.00 -0.25 0.00 0.00 175.29 175.65 3bjm s ALA 732 N -0.89 1.56 -0.23 6.09 0.00 -1.26 -0.22 121.76 126.81 3bjm s ALA 732 Ca 0.14 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 3bjm s ALA 732 Cb -0.11 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.16 3bjm s ALA 732 CO 0.03 -0.08 0.50 1.41 0.00 0.00 0.00 175.76 177.62 3bjm s MET 733 N -3.74 0.41 0.21 0.00 0.00 0.07 -4.90 119.30 111.35 3bjm s MET 733 Ca 0.18 1.18 -0.05 0.00 0.00 0.00 0.00 55.69 57.00 3bjm s MET 733 Cb 0.02 0.51 -0.05 0.00 0.00 0.00 0.00 34.83 35.31 3bjm s MET 733 CO 0.02 -0.23 0.46 1.67 0.00 0.00 0.00 175.02 176.94 3bjm s TRP 734 N 2.68 3.47 -0.31 4.11 -2.14 -1.26 -2.16 118.94 123.32 3bjm s TRP 734 Ca -0.03 0.59 0.01 0.00 2.66 0.00 0.00 56.10 59.33 3bjm s TRP 734 Cb -0.12 -2.05 0.07 0.00 -3.10 0.00 0.00 33.47 28.28 3bjm s TRP 734 CO -0.15 0.32 -0.01 0.71 -2.66 0.00 0.00 176.95 175.17 3bjm s TYR 735 N -1.84 3.43 -0.01 1.66 2.02 -0.22 -4.92 117.35 117.47 3bjm s TYR 735 Ca 0.42 -2.40 -0.35 0.00 -0.37 0.00 0.00 57.07 54.38 3bjm s TYR 735 Cb -0.11 -2.38 -0.13 0.00 -0.40 0.00 0.00 41.96 38.94 3bjm s TYR 735 CO 0.26 -0.89 1.74 2.41 -1.57 0.00 0.00 175.55 177.50 3bjm n THR 736 N 4.45 0.33 -1.04 -0.71 -1.04 -1.26 -2.00 114.28 113.01 3bjm n THR 736 Ca -0.08 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 3bjm n THR 736 Cb 0.42 -1.66 -0.01 0.00 -1.82 0.00 0.00 70.33 67.27 3bjm n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3bjm n ASP 737 N 5.23 -5.17 -4.85 8.00 8.00 -1.26 -4.88 116.55 121.62 3bjm n ASP 737 Ca 0.21 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.40 3bjm n ASP 737 Cb 0.28 -2.79 -0.06 0.00 -0.02 0.00 0.00 41.12 38.52 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 -1.63 3.97 0.00 -1.24 0.41 -0.85 -4.63 118.70 114.73 3bjm s GLU 738 Ca 0.00 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 3bjm s GLU 738 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 3bjm s GLU 738 CO 0.00 0.35 0.00 -0.40 -0.49 0.00 0.00 175.26 174.72 3bjm n ASP 739 N 0.27 0.00 -0.04 -0.19 5.68 -1.26 -1.49 116.55 119.51 3bjm n ASP 739 Ca -0.01 -0.15 0.18 0.00 -0.50 0.00 0.00 54.79 54.31 3bjm n ASP 739 Cb 0.52 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.13 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 -0.03 0.16 0.00 2.11 -0.00 -1.90 -1.55 115.15 113.93 3bjm h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3bjm h HIS 740 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3bjm h HIS 740 CO 0.00 0.06 -0.12 0.78 -0.00 0.00 0.00 177.93 178.65 3bjm h GLY 741 N 0.14 0.00 -6.96 5.26 0.00 -1.98 -3.48 103.07 96.04 3bjm h GLY 741 Ca 0.28 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.01 3bjm h GLY 741 CO -0.04 0.00 -0.99 1.39 0.00 0.00 0.00 176.54 176.90 3bjm n ILE 742 N -3.01 -2.17 -0.09 2.60 5.41 -0.59 -4.87 119.36 116.64 3bjm n ILE 742 Ca 0.04 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.22 3bjm n ILE 742 Cb 0.53 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 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 -4.83 2.10 -1.71 -1.39 0.00 -1.26 -3.63 120.51 109.79 3bjm n ALA 743 Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 3bjm n ALA 743 Cb 0.62 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.20 2.24 -0.31 0.00 3.41 -1.26 -4.72 113.62 112.77 3bjm n SER 744 Ca 0.00 0.94 0.11 0.00 -0.26 0.00 0.00 58.87 59.66 3bjm n SER 744 Cb 0.14 -1.53 0.29 0.00 -0.26 0.00 0.00 64.21 62.84 3bjm n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3bjm h SER 745 N 1.18 0.48 0.14 4.04 0.87 -1.99 0.10 113.55 118.37 3bjm h SER 745 Ca -0.50 0.12 -0.30 0.00 -1.23 0.00 0.00 61.79 59.88 3bjm h SER 745 Cb 1.32 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 63.37 3bjm h SER 745 CO 0.56 0.12 -1.27 0.71 -0.53 0.00 0.00 176.83 176.41 3bjm h THR 746 N 0.53 1.28 -0.59 2.23 1.35 -1.98 -2.40 112.91 113.34 3bjm h THR 746 Ca 0.54 -2.48 -0.10 0.00 -0.55 0.00 0.00 66.41 63.81 3bjm h THR 746 Cb 0.92 2.73 -0.02 0.00 -1.73 0.00 0.00 68.15 70.05 3bjm h THR 746 CO -0.45 0.75 -0.02 0.00 -0.25 0.00 0.00 175.52 175.56 3bjm h ALA 747 N 0.27 0.80 -0.43 6.62 0.00 -1.78 -1.00 119.26 123.74 3bjm h ALA 747 Ca -0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3bjm h ALA 747 Cb 1.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3bjm h ALA 747 CO 0.24 0.66 0.21 1.25 0.00 0.00 0.00 179.25 181.61 3bjm h HIS 748 N 0.96 0.61 -0.75 0.00 2.76 -0.82 0.22 115.15 118.13 3bjm h HIS 748 Ca 0.17 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3bjm h HIS 748 Cb 0.58 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3bjm h HIS 748 CO 0.04 0.49 0.29 1.96 -1.30 0.00 0.00 177.93 179.41 3bjm h GLN 749 N 0.56 1.13 -0.14 5.26 4.20 -1.37 -3.11 115.11 121.63 3bjm h GLN 749 Ca 0.15 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3bjm h GLN 749 Cb 0.11 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3bjm h GLN 749 CO -0.02 0.92 -0.18 1.25 -0.67 0.00 0.00 178.83 180.13 3bjm h HIS 750 N 1.10 0.45 -0.58 2.96 2.76 -0.32 -1.95 115.15 119.57 3bjm h HIS 750 Ca 0.25 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3bjm h HIS 750 Cb 0.23 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 3bjm h HIS 750 CO 0.02 0.79 0.18 0.97 -1.30 0.00 0.00 177.93 178.60 3bjm h ILE 751 N -0.01 1.24 0.00 6.26 2.10 -0.64 0.47 117.51 126.93 3bjm h ILE 751 Ca 0.02 -0.81 -0.08 0.00 1.08 0.00 0.00 64.86 65.06 3bjm h ILE 751 Cb 0.73 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 3bjm h ILE 751 CO 0.04 0.31 -0.38 1.88 -1.08 0.00 0.00 178.15 178.92 3bjm h TYR 752 N 0.82 0.00 -0.24 2.19 0.05 -1.59 -0.29 116.97 117.91 3bjm h TYR 752 Ca 0.19 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.82 3bjm h TYR 752 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3bjm h TYR 752 CO 0.02 0.38 -0.45 1.15 -1.05 0.00 0.00 178.16 178.21 3bjm h THR 753 N 0.00 1.30 -0.57 -2.88 2.02 -0.88 -2.09 112.91 109.83 3bjm h THR 753 Ca -0.00 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 3bjm h THR 753 Cb 0.82 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 3bjm h THR 753 CO 0.05 0.52 0.11 -0.74 0.37 0.00 0.00 175.52 175.84 3bjm h HIS 754 N 0.45 0.98 -0.36 3.16 -0.00 -0.56 -2.67 115.15 116.16 3bjm h HIS 754 Ca 0.01 -0.13 -0.14 0.00 -0.00 0.00 0.00 60.37 60.11 3bjm h HIS 754 Cb 1.05 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 3bjm h HIS 754 CO 0.08 0.85 -0.35 0.52 -0.00 0.00 0.00 177.93 179.04 3bjm h MET 755 N 0.82 0.81 0.08 5.26 2.07 -1.06 -2.32 114.93 120.60 3bjm h MET 755 Ca 0.18 -0.40 0.01 0.00 -2.07 0.00 0.00 59.70 57.41 3bjm h MET 755 Cb 0.38 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 3bjm h MET 755 CO 0.01 1.03 -0.10 0.77 1.07 0.00 0.00 176.91 179.68 3bjm h SER 756 N 0.68 -0.28 -0.74 1.22 0.02 -1.26 -0.83 113.55 112.36 3bjm h SER 756 Ca 0.07 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.18 3bjm h SER 756 Cb 0.90 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.45 3bjm h SER 756 CO 0.08 -0.16 0.29 0.45 -1.14 0.00 0.00 176.83 176.35 3bjm h HIS 757 N -0.22 0.49 -0.36 3.45 3.86 -1.33 0.30 115.15 121.34 3bjm h HIS 757 Ca 0.01 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3bjm h HIS 757 Cb 0.22 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3bjm h HIS 757 CO -0.13 0.06 0.10 0.35 0.86 0.00 0.00 177.93 179.17 3bjm h PHE 758 N 0.44 0.60 -0.29 2.45 3.57 -0.91 -0.04 116.94 122.76 3bjm h PHE 758 Ca 0.40 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.66 3bjm h PHE 758 Cb 0.60 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3bjm h PHE 758 CO -0.17 0.59 -0.51 0.82 -2.23 0.00 0.00 178.31 176.81 3bjm h ILE 759 N 0.44 1.28 -0.33 1.41 2.04 -0.41 -0.29 117.51 121.65 3bjm h ILE 759 Ca 0.11 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.29 3bjm h ILE 759 Cb 0.29 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3bjm h ILE 759 CO -0.00 0.55 0.18 0.11 0.00 0.00 0.00 178.15 178.99 3bjm h LYS 760 N 0.63 0.36 -0.51 2.37 1.57 -0.30 0.31 116.57 121.00 3bjm h LYS 760 Ca 0.02 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3bjm h LYS 760 Cb 1.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3bjm h LYS 760 CO 0.11 0.24 -0.10 -0.56 -0.57 0.00 0.00 179.45 178.58 3bjm h GLN 761 N 0.38 0.97 0.00 3.15 -0.00 -0.91 -0.28 115.11 118.41 3bjm h GLN 761 Ca 0.13 -0.36 -0.04 0.00 -0.00 0.00 0.00 58.65 58.38 3bjm h GLN 761 Cb 0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 3bjm h GLN 761 CO -0.07 1.03 -0.20 0.00 -0.00 0.00 0.00 178.83 179.59 3bjm n PHE 763 N -4.16 0.80 -2.66 0.00 3.72 0.08 -4.94 117.46 110.30 3bjm n PHE 763 Ca -0.02 -0.40 -0.18 0.00 -0.05 0.00 0.00 57.45 56.80 3bjm n PHE 763 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.44 -4.79 -4.74 4.37 7.64 -0.67 -4.95 113.62 111.92 3bjm n SER 764 Ca 0.22 -0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.67 3bjm n SER 764 Cb 0.57 -3.99 -0.05 0.00 -1.01 0.00 0.00 64.21 59.73 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 -6.03 4.42 0.00 -3.43 1.43 -0.21 -5.04 118.68 109.83 3bjm s LEU 765 Ca 0.11 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3bjm s LEU 765 Cb -0.05 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3bjm s LEU 765 CO 0.13 -0.03 0.46 -2.65 0.23 0.00 0.00 176.35 174.50