#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bub n ARG 40 N 0.00 0.00 -0.55 1.43 5.12 -1.26 -4.23 116.66 117.17 2bub n ARG 40 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 2bub n ARG 40 Cb 0.00 0.00 0.23 0.00 -1.16 0.00 0.00 32.46 31.53 2bub n ARG 40 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2bub s LYS 41 N 0.00 -0.39 0.32 5.56 -2.85 -1.26 -4.64 119.74 116.49 2bub s LYS 41 Ca 0.00 1.11 0.10 0.00 -1.00 0.00 0.00 55.97 56.18 2bub s LYS 41 Cb 0.00 -1.60 -0.05 0.00 -2.06 0.00 0.00 37.83 34.12 2bub s LYS 41 CO 0.00 -3.45 -0.03 -0.08 0.10 0.00 0.00 175.35 171.89 2bub s THR 42 N -2.49 2.67 -0.25 3.79 -1.32 -1.26 -0.99 115.64 115.80 2bub s THR 42 Ca 0.68 -2.05 -0.29 0.00 -1.21 0.00 0.00 61.69 58.83 2bub s THR 42 Cb -0.25 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 67.99 2bub s THR 42 CO 0.63 -0.25 1.83 -0.47 -2.21 0.00 0.00 174.62 174.15 2bub s TYR 43 N -2.50 1.74 0.01 9.09 5.04 -1.26 -4.86 117.35 124.61 2bub s TYR 43 Ca 0.33 0.50 -0.11 0.00 -2.44 0.00 0.00 57.07 55.36 2bub s TYR 43 Cb -0.01 -4.06 -0.05 0.00 0.35 0.00 0.00 41.96 38.18 2bub s TYR 43 CO 0.19 -3.35 0.36 0.99 -1.34 0.00 0.00 175.55 172.39 2bub s THR 44 N 6.45 5.14 0.34 4.34 2.01 -1.26 -4.05 115.64 128.61 2bub s THR 44 Ca 0.82 0.55 0.11 0.00 0.31 0.00 0.00 61.69 63.48 2bub s THR 44 Cb -0.27 -3.63 0.33 0.00 0.01 0.00 0.00 72.50 68.94 2bub s THR 44 CO 0.33 0.46 1.76 0.25 -0.69 0.00 0.00 174.62 176.73 2bub h LEU 45 N 4.32 0.64 -0.87 4.42 5.85 -1.92 1.42 115.31 129.17 2bub h LEU 45 Ca -0.51 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2bub h LEU 45 Cb 1.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2bub h LEU 45 CO 0.63 0.14 0.00 0.74 -0.34 0.00 0.00 178.44 179.62 2bub h THR 46 N 0.58 0.00 -0.20 1.05 2.02 -1.98 -2.19 112.91 112.19 2bub h THR 46 Ca 0.61 -0.44 -0.19 0.00 0.77 0.00 0.00 66.41 67.17 2bub h THR 46 Cb 1.21 1.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 2bub h THR 46 CO -0.40 0.00 -0.60 0.44 0.37 0.00 0.00 175.52 175.33 2bub h ASP 47 N 0.00 0.87 -0.24 4.18 3.32 0.15 0.89 116.42 125.59 2bub h ASP 47 Ca 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 57.03 56.40 2bub h ASP 47 Cb 0.52 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2bub h ASP 47 CO 0.00 1.31 -0.09 0.22 -1.72 0.00 0.00 179.24 178.96 2bub h TYR 48 N 0.49 0.56 0.62 4.55 3.20 -1.29 -0.84 116.97 124.25 2bub h TYR 48 Ca -0.02 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2bub h TYR 48 Cb 1.22 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 39.37 2bub h TYR 48 CO 0.09 0.74 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.98 2bub h LEU 49 N 0.22 -0.71 -0.40 2.82 4.07 -1.27 -3.19 115.31 116.86 2bub h LEU 49 Ca 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2bub h LEU 49 Cb 0.58 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2bub h LEU 49 CO 0.03 -0.39 -0.15 0.29 -1.08 0.00 0.00 178.44 177.14 2bub n LYS 50 N -5.38 0.85 -2.81 1.13 4.76 0.31 -4.95 118.16 112.07 2bub n LYS 50 Ca -0.12 -0.40 -0.10 0.00 -2.87 0.00 0.00 58.31 54.82 2bub n LYS 50 Cb 0.36 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.11 2bub n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2bub n ASN 51 N -0.73 -2.61 0.00 4.39 2.85 -0.39 -4.93 115.26 113.84 2bub n ASN 51 Ca 0.14 -0.39 0.12 0.00 -0.11 0.00 0.00 54.58 54.34 2bub n ASN 51 Cb 0.31 -3.34 0.62 0.00 1.24 0.00 0.00 39.78 38.60 2bub n ASN 51 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2bub n THR 52 N -2.84 0.21 -3.82 -0.44 -1.04 -0.77 -4.31 114.28 101.27 2bub n THR 52 Ca -0.15 0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 2bub n THR 52 Cb 0.60 -0.67 -0.16 0.00 -1.82 0.00 0.00 70.33 68.28 2bub n THR 52 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2bub s TYR 53 N -2.45 1.77 -0.13 -1.42 2.02 -1.26 -5.12 117.35 110.75 2bub s TYR 53 Ca 0.25 -1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 55.41 2bub s TYR 53 Cb 0.16 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2bub s TYR 53 CO 0.34 -0.75 0.14 0.50 -1.57 0.00 0.00 175.55 174.21 2bub s ARG 54 N 1.60 3.53 -0.33 -0.62 3.52 -1.26 -5.06 118.95 120.34 2bub s ARG 54 Ca 0.01 -0.14 -0.18 0.00 -0.13 0.00 0.00 55.73 55.29 2bub s ARG 54 Cb -0.18 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2bub s ARG 54 CO -0.12 0.72 0.49 -0.51 -0.81 0.00 0.00 175.30 175.07 2bub s LEU 55 N -0.85 4.28 0.29 -0.88 1.43 -1.26 -4.78 118.68 116.90 2bub s LEU 55 Ca 0.14 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 2bub s LEU 55 Cb -0.12 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 2bub s LEU 55 CO 0.03 -0.41 1.31 -0.54 0.23 0.00 0.00 176.35 176.97 2bub s LYS 56 N 2.32 4.37 0.29 1.70 1.02 -1.26 -5.05 119.74 123.13 2bub s LYS 56 Ca 0.18 2.17 0.01 0.00 0.02 0.00 0.00 55.97 58.35 2bub s LYS 56 Cb -0.16 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 2bub s LYS 56 CO 0.12 -0.20 0.10 1.28 -0.92 0.00 0.00 175.35 175.73 2bub n LEU 57 N 1.37 0.00 -3.22 3.17 4.32 -1.26 -4.90 117.00 116.49 2bub n LEU 57 Ca 0.02 -1.65 -0.23 0.00 -0.02 0.00 0.00 56.01 54.13 2bub n LEU 57 Cb 0.42 0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 2bub n LEU 57 CO 0.59 -0.33 -0.25 0.00 -1.22 0.00 0.00 177.39 176.17 2bub n TYR 58 N -0.92 -0.95 -2.81 -1.77 4.19 -1.26 -4.91 117.16 108.72 2bub n TYR 58 Ca -0.07 -3.24 -0.43 0.00 3.31 0.00 0.00 57.90 57.48 2bub n TYR 58 Cb 0.34 0.10 -0.04 0.00 0.49 0.00 0.00 39.34 40.23 2bub n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2bub s SER 59 N -0.65 6.26 0.44 2.98 0.01 -1.26 -5.00 113.70 116.49 2bub s SER 59 Ca 0.34 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.07 2bub s SER 59 Cb 0.12 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 2bub s SER 59 CO -0.15 -1.38 0.38 -1.48 0.41 0.00 0.00 173.24 171.03 2bub s LEU 60 N 4.20 3.24 -0.27 2.44 -0.00 -1.26 -4.65 118.68 122.38 2bub s LEU 60 Ca 0.28 -0.86 -0.02 0.00 -0.00 0.00 0.00 54.13 53.53 2bub s LEU 60 Cb -0.14 -1.84 0.12 0.00 -0.00 0.00 0.00 46.19 44.33 2bub s LEU 60 CO 0.15 -0.75 0.27 -0.13 -0.00 0.00 0.00 176.35 175.89 2bub s ARG 61 N -4.16 0.28 0.35 1.48 0.52 0.24 -4.86 118.95 112.81 2bub s ARG 61 Ca 0.46 -0.06 -0.28 0.00 -0.52 0.00 0.00 55.73 55.33 2bub s ARG 61 Cb -0.03 -0.83 -0.11 0.00 0.52 0.00 0.00 34.95 34.51 2bub s ARG 61 CO 0.27 -0.92 1.44 -1.58 0.02 0.00 0.00 175.30 174.54 2bub s TRP 62 N 2.34 2.74 -0.04 -0.53 0.52 -1.26 0.20 118.94 122.92 2bub s TRP 62 Ca 0.09 1.20 0.06 0.00 0.02 0.00 0.00 56.10 57.47 2bub s TRP 62 Cb -0.15 -3.93 0.09 0.00 -1.15 0.00 0.00 33.47 28.34 2bub s TRP 62 CO -0.27 -2.72 0.95 0.44 0.02 0.00 0.00 176.95 175.36 2bub n ILE 63 N 0.77 0.79 -3.30 2.03 -0.00 0.91 -4.88 119.36 115.69 2bub n ILE 63 Ca 0.01 -0.91 0.00 0.00 -0.00 0.00 0.00 62.75 61.86 2bub n ILE 63 Cb 0.40 0.37 0.00 0.00 -0.00 0.00 0.00 39.64 40.41 2bub n ILE 63 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2bub n SER 64 N -0.55 0.00 0.02 7.28 3.41 -1.24 -4.94 113.62 117.61 2bub n SER 64 Ca 0.05 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.35 2bub n SER 64 Cb 0.54 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.99 2bub n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bub n ASP 65 N -0.06 0.26 -0.39 4.04 5.75 -1.26 -2.99 116.55 121.90 2bub n ASP 65 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 2bub n ASP 65 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2bub n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bub n HIS 66 N -1.67 0.00 -3.79 2.11 1.44 -1.26 -4.30 115.22 107.75 2bub n HIS 66 Ca 0.06 -0.02 -0.13 0.00 -2.01 0.00 0.00 57.72 55.62 2bub n HIS 66 Cb 0.36 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 30.33 2bub n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2bub s GLU 67 N -0.07 0.49 0.04 -1.40 2.02 -1.26 -1.65 118.70 116.87 2bub s GLU 67 Ca 0.01 0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.02 2bub s GLU 67 Cb 0.01 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 2bub s GLU 67 CO 0.00 -0.11 -0.03 1.52 0.02 0.00 0.00 175.26 176.66 2bub s TYR 68 N -0.69 0.47 -0.01 1.61 -0.85 -0.95 -0.06 117.35 116.88 2bub s TYR 68 Ca -0.08 -0.91 -0.05 0.00 -0.52 0.00 0.00 57.07 55.51 2bub s TYR 68 Cb -0.04 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 2bub s TYR 68 CO 0.02 -0.31 0.23 -0.51 -1.52 0.00 0.00 175.55 173.45 2bub s LEU 69 N -2.51 4.37 -0.16 -3.49 1.43 0.13 -1.02 118.68 117.42 2bub s LEU 69 Ca 0.01 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 2bub s LEU 69 Cb 0.03 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.68 2bub s LEU 69 CO -0.07 0.27 0.43 -0.47 0.23 0.00 0.00 176.35 176.74 2bub s TYR 70 N -1.29 -0.49 -0.41 0.29 5.04 -0.46 -0.59 117.35 119.44 2bub s TYR 70 Ca 0.27 1.18 -0.15 0.00 -2.44 0.00 0.00 57.07 55.92 2bub s TYR 70 Cb -0.13 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.38 2bub s TYR 70 CO 0.16 -0.24 0.30 -1.59 -1.34 0.00 0.00 175.55 172.85 2bub s LYS 71 N 0.33 2.97 0.17 4.97 0.00 -1.26 -1.03 119.74 125.89 2bub s LYS 71 Ca -0.01 -1.04 -0.25 0.00 0.00 0.00 0.00 55.97 54.66 2bub s LYS 71 Cb -0.03 -3.98 -0.08 0.00 0.00 0.00 0.00 37.83 33.73 2bub s LYS 71 CO -0.01 -0.77 0.78 -1.14 0.00 0.00 0.00 175.35 174.22 2bub s GLN 72 N 1.67 4.57 0.00 1.78 2.00 -0.97 -4.81 119.66 123.90 2bub s GLN 72 Ca 0.05 1.17 0.00 0.00 -2.00 0.00 0.00 55.36 54.57 2bub s GLN 72 Cb -0.19 -3.25 0.00 0.00 0.80 0.00 0.00 33.01 30.37 2bub s GLN 72 CO 0.10 0.56 0.00 -1.91 -0.50 0.00 0.00 175.29 173.54 2bub n GLU 73 N 1.55 0.00 -0.06 1.67 2.13 -1.26 -1.34 120.64 123.33 2bub n GLU 73 Ca -0.05 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.80 2bub n GLU 73 Cb 0.49 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.26 2bub n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bub n ASN 74 N 2.31 2.12 -4.95 4.31 5.03 -1.26 -5.00 115.26 117.83 2bub n ASN 74 Ca 0.00 -1.71 -0.23 0.00 0.87 0.00 0.00 54.58 53.51 2bub n ASN 74 Cb 0.00 -0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 2bub n ASN 74 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2bub s ASN 75 N -0.81 6.28 -0.43 6.41 0.02 -0.45 -4.04 114.94 121.93 2bub s ASN 75 Ca 0.11 0.34 -0.11 0.00 -1.02 0.00 0.00 52.86 52.17 2bub s ASN 75 Cb 0.06 -1.96 0.07 0.00 0.02 0.00 0.00 41.25 39.44 2bub s ASN 75 CO 0.08 -0.25 0.28 -0.63 0.02 0.00 0.00 177.10 176.61 2bub s ILE 76 N -2.24 4.51 -0.07 0.60 1.01 -0.16 -2.30 121.20 122.56 2bub s ILE 76 Ca 0.39 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2bub s ILE 76 Cb -0.09 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2bub s ILE 76 CO 0.34 -0.49 0.21 -0.76 0.00 0.00 0.00 174.94 174.24 2bub s LEU 77 N 1.49 4.40 0.04 2.97 1.43 -0.20 -0.35 118.68 128.46 2bub s LEU 77 Ca 0.03 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2bub s LEU 77 Cb -0.23 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2bub s LEU 77 CO 0.04 0.35 0.16 0.54 0.23 0.00 0.00 176.35 177.67 2bub s VAL 78 N -1.12 5.15 -0.04 -1.59 0.11 -0.56 -1.35 120.40 120.99 2bub s VAL 78 Ca 0.20 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2bub s VAL 78 Cb -0.13 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2bub s VAL 78 CO 0.09 0.21 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.55 2bub s PHE 79 N -1.40 1.60 -0.16 1.54 0.40 -0.19 -2.06 117.98 117.70 2bub s PHE 79 Ca 0.31 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 2bub s PHE 79 Cb -0.13 -1.09 -0.00 0.00 0.51 0.00 0.00 43.02 42.31 2bub s PHE 79 CO 0.23 -0.17 1.07 1.21 0.70 0.00 0.00 175.22 178.26 2bub s ASN 80 N 0.12 7.13 0.11 1.36 3.84 -0.41 -2.23 114.94 124.86 2bub s ASN 80 Ca -0.05 1.51 0.00 0.00 0.21 0.00 0.00 52.86 54.53 2bub s ASN 80 Cb -0.12 -2.55 -0.21 0.00 -0.55 0.00 0.00 41.25 37.83 2bub s ASN 80 CO 0.02 -0.60 1.23 0.00 -2.79 0.00 0.00 177.10 174.96 2bub h ALA 81 N 7.41 0.25 -0.00 1.71 0.00 -1.64 0.41 119.26 127.40 2bub h ALA 81 Ca -0.25 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2bub h ALA 81 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bub h ALA 81 CO 0.93 1.03 -0.02 -1.91 0.00 0.00 0.00 179.25 179.28 2bub n GLU 82 N -3.51 0.53 0.00 0.00 4.07 -1.26 -4.09 120.64 116.37 2bub n GLU 82 Ca -0.05 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 2bub n GLU 82 Cb 0.96 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.84 2bub n GLU 82 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2bub n TYR 83 N -1.21 0.00 0.00 4.31 4.01 -1.22 -5.02 117.16 118.03 2bub n TYR 83 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2bub n TYR 83 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2bub n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bub n GLY 84 N 0.34 1.76 3.77 2.72 0.00 0.13 -4.98 105.19 108.93 2bub n GLY 84 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2bub n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bub s ASN 85 N -1.70 6.59 0.26 1.61 4.22 -1.25 -4.67 114.94 120.00 2bub s ASN 85 Ca 0.00 2.82 0.05 0.00 -2.14 0.00 0.00 52.86 53.59 2bub s ASN 85 Cb 0.00 -2.65 -0.06 0.00 1.28 0.00 0.00 41.25 39.82 2bub s ASN 85 CO 0.00 -0.69 -0.02 -0.94 -2.04 0.00 0.00 177.10 173.41 2bub s SER 86 N -0.22 2.24 0.06 3.54 1.04 -1.26 -1.28 113.70 117.82 2bub s SER 86 Ca 0.52 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.63 2bub s SER 86 Cb -0.43 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.63 2bub s SER 86 CO 0.55 -0.45 0.23 -0.94 0.98 0.00 0.00 173.24 173.60 2bub s SER 87 N -3.37 0.02 -0.06 7.02 1.04 -0.87 -5.00 113.70 112.46 2bub s SER 87 Ca 0.29 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 2bub s SER 87 Cb 0.05 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2bub s SER 87 CO 0.10 -0.65 1.75 0.68 0.98 0.00 0.00 173.24 176.11 2bub s VAL 88 N -3.08 3.43 -0.10 5.02 -7.23 -1.26 -1.50 120.40 115.68 2bub s VAL 88 Ca -0.01 0.52 -0.19 0.00 -1.81 0.00 0.00 61.98 60.49 2bub s VAL 88 Cb 0.01 -3.36 -0.27 0.00 0.56 0.00 0.00 36.38 33.32 2bub s VAL 88 CO -0.07 -0.08 0.62 0.15 -0.31 0.00 0.00 175.10 175.41 2bub h PHE 89 N 10.26 0.39 -3.04 2.82 3.57 -1.02 -3.47 116.94 126.44 2bub h PHE 89 Ca -0.41 -0.29 -0.20 0.00 3.53 0.00 0.00 57.97 60.61 2bub h PHE 89 Cb 1.19 -0.02 -0.30 0.00 2.79 0.00 0.00 35.95 39.62 2bub h PHE 89 CO 0.91 1.45 -0.49 -1.17 -2.23 0.00 0.00 178.31 176.78 2bub s LEU 90 N -7.70 0.47 1.00 0.59 2.96 -0.99 -5.02 118.68 109.99 2bub s LEU 90 Ca -0.19 0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 54.10 2bub s LEU 90 Cb 0.03 0.72 0.19 0.00 0.50 0.00 0.00 46.19 47.63 2bub s LEU 90 CO 0.76 -0.16 1.10 -1.61 -1.32 0.00 0.00 176.35 175.12 2bub s GLU 91 N 1.19 0.42 0.34 1.98 8.01 -1.26 -0.98 118.70 128.40 2bub s GLU 91 Ca -0.09 0.48 0.25 0.00 0.01 0.00 0.00 54.97 55.62 2bub s GLU 91 Cb -0.10 -1.74 0.64 0.00 -4.31 0.00 0.00 34.13 28.62 2bub s GLU 91 CO -0.08 -2.73 1.71 -2.95 0.01 0.00 0.00 175.26 171.22 2bub h ASN 92 N -1.89 0.00 -0.34 -0.19 7.08 -1.94 -3.23 115.58 115.07 2bub h ASN 92 Ca -0.55 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.67 2bub h ASN 92 Cb 1.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.57 2bub h ASN 92 CO 0.58 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.39 2bub n SER 93 N -2.71 2.99 0.15 6.14 3.41 -1.26 -4.49 113.62 117.84 2bub n SER 93 Ca 0.04 -1.89 0.01 0.00 -0.26 0.00 0.00 58.87 56.77 2bub n SER 93 Cb 0.46 -0.23 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 2bub n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bub h THR 94 N 2.89 1.25 -0.25 6.66 2.02 -1.94 -3.22 112.91 120.31 2bub h THR 94 Ca 0.00 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 2bub h THR 94 Cb 0.77 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 2bub h THR 94 CO 0.00 0.35 -0.05 0.49 0.37 0.00 0.00 175.52 176.68 2bub n PHE 95 N -4.14 0.84 0.23 3.16 3.72 -1.26 -4.70 117.46 115.30 2bub n PHE 95 Ca -0.02 -1.21 0.04 0.00 -0.05 0.00 0.00 57.45 56.22 2bub n PHE 95 Cb 0.38 -0.36 0.20 0.00 -0.94 0.00 0.00 39.48 38.75 2bub n PHE 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bub n ASP 96 N -0.91 0.09 -0.82 4.37 8.00 -1.22 -1.33 116.55 124.72 2bub n ASP 96 Ca 0.25 0.53 0.05 0.00 0.71 0.00 0.00 54.79 56.34 2bub n ASP 96 Cb 0.91 -0.55 0.12 0.00 -0.02 0.00 0.00 41.12 41.58 2bub n ASP 96 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2bub n GLU 97 N -1.61 0.89 -0.07 -1.24 0.00 -1.26 -4.79 120.64 112.56 2bub n GLU 97 Ca 0.01 -2.58 -0.10 0.00 0.00 0.00 0.00 57.16 54.49 2bub n GLU 97 Cb 0.08 -0.97 -0.03 0.00 0.00 0.00 0.00 31.44 30.52 2bub n GLU 97 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2bub h PHE 98 N 0.79 0.33 0.00 4.31 3.57 -1.55 -3.47 116.94 120.92 2bub h PHE 98 Ca -0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2bub h PHE 98 Cb 1.33 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2bub h PHE 98 CO 0.42 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 177.19 2bub n GLY 99 N -0.95 0.84 3.38 2.40 0.00 -1.26 -5.06 105.19 104.53 2bub n GLY 99 Ca -0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 2bub n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bub s HIS 100 N -2.00 -0.51 0.05 1.61 3.76 -1.26 -5.12 115.29 111.82 2bub s HIS 100 Ca 0.00 1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 55.80 2bub s HIS 100 Cb 0.00 0.19 -0.09 0.00 1.11 0.00 0.00 32.58 33.79 2bub s HIS 100 CO 0.00 -0.29 1.85 0.45 -0.85 0.00 0.00 174.74 175.90 2bub s SER 101 N 0.02 6.49 -0.18 1.40 0.15 -1.26 -4.98 113.70 115.34 2bub s SER 101 Ca -0.02 2.61 -0.25 0.00 0.70 0.00 0.00 55.95 58.99 2bub s SER 101 Cb -0.03 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2bub s SER 101 CO 0.02 -1.00 0.81 -0.63 1.20 0.00 0.00 173.24 173.63 2bub s ILE 102 N 3.74 4.89 -0.20 6.45 1.09 -1.26 -4.54 121.20 131.37 2bub s ILE 102 Ca 0.83 1.58 0.01 0.00 -1.10 0.00 0.00 60.65 61.97 2bub s ILE 102 Cb -0.42 -4.12 -0.21 0.00 -1.06 0.00 0.00 42.46 36.66 2bub s ILE 102 CO 0.37 0.03 0.01 -3.20 -0.10 0.00 0.00 174.94 172.06 2bub n ASN 103 N 5.25 1.86 -3.56 3.58 2.85 0.25 -5.04 115.26 120.45 2bub n ASN 103 Ca 0.04 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.37 2bub n ASN 103 Cb 0.49 -0.45 -0.06 0.00 1.24 0.00 0.00 39.78 41.00 2bub n ASN 103 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2bub s ASP 104 N -6.60 -0.51 0.54 1.20 2.15 -1.23 -5.02 116.67 107.20 2bub s ASP 104 Ca -0.28 0.59 0.02 0.00 0.43 0.00 0.00 52.55 53.31 2bub s ASP 104 Cb 0.08 0.46 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 2bub s ASP 104 CO 0.68 -0.44 0.15 -0.72 -0.17 0.00 0.00 175.17 174.66 2bub s TYR 105 N -1.04 1.66 -0.29 -5.34 -0.85 -1.26 -0.66 117.35 109.56 2bub s TYR 105 Ca -0.05 -0.96 -0.03 0.00 -0.52 0.00 0.00 57.07 55.50 2bub s TYR 105 Cb -0.01 -1.69 0.19 0.00 0.38 0.00 0.00 41.96 40.83 2bub s TYR 105 CO 0.05 -0.07 0.83 0.45 -1.52 0.00 0.00 175.55 175.29 2bub s SER 106 N -4.05 -0.98 0.50 -0.18 0.15 -0.10 -4.92 113.70 104.11 2bub s SER 106 Ca 0.12 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.72 2bub s SER 106 Cb -0.01 1.63 -0.08 0.00 -1.71 0.00 0.00 66.02 65.86 2bub s SER 106 CO 0.07 -0.18 1.01 -0.63 1.20 0.00 0.00 173.24 174.72 2bub s ILE 107 N 2.90 4.06 0.56 6.45 1.01 -1.26 -0.94 121.20 133.98 2bub s ILE 107 Ca 0.19 1.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 2bub s ILE 107 Cb -0.06 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 2bub s ILE 107 CO -0.24 -0.39 0.87 -0.94 0.00 0.00 0.00 174.94 174.24 2bub s SER 108 N -2.38 5.81 0.09 3.58 1.04 -0.26 -4.94 113.70 116.64 2bub s SER 108 Ca 0.64 0.80 -0.34 0.00 0.48 0.00 0.00 55.95 57.53 2bub s SER 108 Cb -0.13 -1.88 -0.15 0.00 0.10 0.00 0.00 66.02 63.95 2bub s SER 108 CO 0.24 -0.92 1.58 -0.65 0.98 0.00 0.00 173.24 174.47 2bub h PRO 109 N -0.06 -0.83 0.00 4.02 0.11 -1.85 0.19 132.00 133.58 2bub h PRO 109 Ca -0.46 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2bub h PRO 109 Cb 1.24 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2bub h PRO 109 CO 0.61 -0.56 0.11 -0.40 -0.21 0.00 0.00 178.00 177.55 2bub n ASP 110 N -5.52 0.00 -0.76 -2.05 5.68 -1.22 -4.81 116.55 107.87 2bub n ASP 110 Ca -0.10 0.36 -0.10 0.00 -0.50 0.00 0.00 54.79 54.45 2bub n ASP 110 Cb 0.42 -0.36 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 2bub n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bub n GLY 111 N -1.36 1.07 0.11 6.12 0.00 0.67 -4.89 105.19 106.91 2bub n GLY 111 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2bub n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bub n GLN 112 N -1.80 0.37 -3.73 1.61 6.02 -1.26 -4.88 117.38 113.71 2bub n GLN 112 Ca -0.10 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.54 2bub n GLN 112 Cb 0.44 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 2bub n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2bub s PHE 113 N -2.78 -0.42 -0.04 1.08 0.08 -1.26 -3.08 117.98 111.57 2bub s PHE 113 Ca 0.17 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.24 2bub s PHE 113 Cb 0.18 0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.76 2bub s PHE 113 CO 0.62 -0.25 -0.14 -1.50 -0.10 0.00 0.00 175.22 173.85 2bub s ILE 114 N -0.02 3.09 -0.25 0.64 2.07 -0.90 -1.11 121.20 124.72 2bub s ILE 114 Ca -0.02 -0.77 -0.09 0.00 -1.41 0.00 0.00 60.65 58.36 2bub s ILE 114 Cb -0.03 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.29 2bub s ILE 114 CO 0.01 0.55 0.13 -0.22 -1.91 0.00 0.00 174.94 173.50 2bub s LEU 115 N -0.85 3.82 -0.18 8.50 0.20 -0.12 -2.03 118.68 128.02 2bub s LEU 115 Ca 0.12 -0.04 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 2bub s LEU 115 Cb -0.11 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2bub s LEU 115 CO 0.01 0.01 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.31 2bub s LEU 116 N 1.39 3.31 -0.26 -0.68 1.43 0.04 -0.93 118.68 122.98 2bub s LEU 116 Ca 0.06 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 2bub s LEU 116 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2bub s LEU 116 CO 0.06 0.11 0.30 -0.70 0.23 0.00 0.00 176.35 176.35 2bub s GLU 117 N 0.73 4.03 0.02 1.70 2.12 0.16 -1.49 118.70 125.97 2bub s GLU 117 Ca -0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2bub s GLU 117 Cb -0.14 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 2bub s GLU 117 CO 0.02 -0.17 0.01 2.48 -0.54 0.00 0.00 175.26 177.06 2bub n TYR 118 N 5.00 0.00 -2.44 5.30 4.11 0.41 -0.58 117.16 128.95 2bub n TYR 118 Ca -0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.90 57.65 2bub n TYR 118 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.85 2bub n TYR 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2bub n ASN 119 N -2.14 -0.96 -4.54 9.48 3.02 -1.26 -0.86 115.26 118.00 2bub n ASN 119 Ca -0.00 0.42 -0.53 0.00 -0.03 0.00 0.00 54.58 54.43 2bub n ASN 119 Cb 0.03 -0.96 -0.07 0.00 -0.61 0.00 0.00 39.78 38.17 2bub n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bub n TYR 120 N -2.40 1.79 -4.58 3.10 4.19 -1.26 -4.35 117.16 113.65 2bub n TYR 120 Ca 0.00 0.36 -0.33 0.00 3.31 0.00 0.00 57.90 61.25 2bub n TYR 120 Cb 0.47 -2.51 -0.16 0.00 0.49 0.00 0.00 39.34 37.63 2bub n TYR 120 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2bub s VAL 121 N 5.74 2.10 -0.03 2.97 1.01 0.51 -5.00 120.40 127.71 2bub s VAL 121 Ca 1.05 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 2bub s VAL 121 Cb -0.95 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2bub s VAL 121 CO 0.56 0.55 0.82 -0.75 0.00 0.00 0.00 175.10 176.27 2bub s LYS 122 N 0.89 4.50 0.00 2.72 2.20 -1.26 -2.00 119.74 126.79 2bub s LYS 122 Ca -0.05 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2bub s LYS 122 Cb -0.15 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2bub s LYS 122 CO -0.03 0.05 0.00 0.94 -0.36 0.00 0.00 175.35 175.94 2bub n GLN 123 N 3.70 0.00 0.00 4.03 7.27 -0.96 -4.96 117.38 126.46 2bub n GLN 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2bub n GLN 123 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2bub n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2bub n TRP 124 N 0.00 0.00 0.09 3.69 5.03 -1.26 -4.90 117.44 120.10 2bub n TRP 124 Ca 0.00 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.46 2bub n TRP 124 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.29 2bub n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2bub h ARG 125 N 0.00 0.15 0.00 -0.99 2.43 -1.99 -3.39 114.38 110.60 2bub h ARG 125 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2bub h ARG 125 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2bub h ARG 125 CO 0.00 0.91 -0.98 0.72 -1.51 0.00 0.00 179.97 179.11 2bub n HIS 126 N -3.65 0.00 -1.90 2.20 8.25 -1.26 -5.10 115.22 113.76 2bub n HIS 126 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2bub n HIS 126 Cb 0.79 0.00 0.10 0.00 1.12 0.00 0.00 29.99 32.00 2bub n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bub s SER 127 N -2.56 4.34 -0.12 0.41 1.04 -1.26 -4.73 113.70 110.82 2bub s SER 127 Ca 0.00 0.73 -0.33 0.00 0.48 0.00 0.00 55.95 56.82 2bub s SER 127 Cb 0.00 -1.17 0.14 0.00 0.10 0.00 0.00 66.02 65.09 2bub s SER 127 CO 0.00 -2.01 1.37 -0.72 0.98 0.00 0.00 173.24 172.86 2bub s TYR 128 N -3.61 -0.03 0.26 5.02 -0.85 -1.26 -2.28 117.35 114.61 2bub s TYR 128 Ca 0.63 -0.01 0.05 0.00 -0.52 0.00 0.00 57.07 57.23 2bub s TYR 128 Cb -0.10 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 2bub s TYR 128 CO 0.49 -0.11 0.38 0.95 -1.52 0.00 0.00 175.55 175.75 2bub s THR 129 N -2.17 4.92 0.01 -3.49 -4.23 -0.84 -4.38 115.64 105.45 2bub s THR 129 Ca 0.14 -1.02 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 2bub s THR 129 Cb 0.05 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.21 2bub s THR 129 CO -0.05 -0.29 0.48 0.00 -0.54 0.00 0.00 174.62 174.22 2bub s ALA 130 N -2.04 -1.23 0.04 3.99 0.00 -0.78 -0.36 121.76 121.38 2bub s ALA 130 Ca 0.37 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 2bub s ALA 130 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2bub s ALA 130 CO 0.29 -0.40 0.19 -1.12 0.00 0.00 0.00 175.76 174.72 2bub s SER 131 N -1.65 6.32 0.24 0.00 0.01 -0.04 -2.18 113.70 116.41 2bub s SER 131 Ca -0.09 0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2bub s SER 131 Cb -0.02 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2bub s SER 131 CO 0.02 0.20 -0.10 -0.31 0.41 0.00 0.00 173.24 173.47 2bub s TYR 132 N -1.44 1.83 -0.00 2.43 2.02 -1.26 -0.45 117.35 120.49 2bub s TYR 132 Ca 0.32 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 56.31 2bub s TYR 132 Cb -0.13 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 2bub s TYR 132 CO 0.24 0.31 0.12 -0.51 -1.57 0.00 0.00 175.55 174.14 2bub s ASP 133 N -3.38 0.03 -0.08 2.29 1.01 -0.55 -4.67 116.67 111.31 2bub s ASP 133 Ca 0.26 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.34 2bub s ASP 133 Cb 0.02 0.20 -0.03 0.00 1.01 0.00 0.00 42.92 44.12 2bub s ASP 133 CO 0.10 -0.33 -0.09 -0.63 0.21 0.00 0.00 175.17 174.43 2bub s ILE 134 N -1.25 3.53 -0.07 0.77 1.01 -1.26 -0.78 121.20 123.14 2bub s ILE 134 Ca -0.13 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2bub s ILE 134 Cb -0.07 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.97 2bub s ILE 134 CO 0.01 0.58 -0.10 -0.47 0.00 0.00 0.00 174.94 174.96 2bub s TYR 135 N -0.53 1.38 -0.26 3.97 5.04 -0.86 -1.06 117.35 125.01 2bub s TYR 135 Ca 0.08 -0.54 -0.23 0.00 -2.44 0.00 0.00 57.07 53.94 2bub s TYR 135 Cb -0.12 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.13 2bub s TYR 135 CO 0.02 -0.31 0.77 0.34 -1.34 0.00 0.00 175.55 175.02 2bub s ASP 136 N 0.91 6.72 0.00 4.32 -1.08 -0.64 -2.13 116.67 124.77 2bub s ASP 136 Ca -0.10 0.85 0.24 0.00 -0.52 0.00 0.00 52.55 53.01 2bub s ASP 136 Cb -0.15 -2.40 0.25 0.00 -1.46 0.00 0.00 42.92 39.16 2bub s ASP 136 CO 0.01 -0.51 1.24 0.00 0.52 0.00 0.00 175.17 176.44 2bub n LEU 137 N 5.99 1.39 0.00 -1.34 -0.00 -1.18 -2.50 117.00 119.36 2bub n LEU 137 Ca 0.03 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 2bub n LEU 137 Cb 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 2bub n LEU 137 CO 0.47 0.27 0.02 0.59 -0.00 0.00 0.00 177.39 178.74 2bub n ASN 138 N -0.61 0.00 -4.61 1.45 3.02 -1.26 -4.70 115.26 108.55 2bub n ASN 138 Ca 0.09 0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 2bub n ASN 138 Cb 0.39 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2bub n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2bub n LYS 139 N -0.35 1.34 -1.76 3.52 5.02 -1.26 -4.85 118.16 119.81 2bub n LYS 139 Ca 0.00 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.39 2bub n LYS 139 Cb 0.00 -2.03 0.05 0.00 -0.02 0.00 0.00 35.03 33.03 2bub n LYS 139 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2bub n ARG 140 N 0.17 2.77 -3.83 1.97 0.63 -1.23 -4.44 116.66 112.69 2bub n ARG 140 Ca 0.09 -3.49 -0.10 0.00 -0.92 0.00 0.00 57.85 53.43 2bub n ARG 140 Cb 0.39 -2.28 -0.05 0.00 0.45 0.00 0.00 32.46 30.97 2bub n ARG 140 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2bub s GLN 141 N -3.98 1.24 0.68 -0.14 0.00 -1.04 -4.99 119.66 111.43 2bub s GLN 141 Ca 0.56 -0.99 -0.15 0.00 -0.00 0.00 0.00 55.36 54.77 2bub s GLN 141 Cb 0.46 0.45 0.01 0.00 0.00 0.00 0.00 33.01 33.93 2bub s GLN 141 CO -0.28 -0.49 1.15 -0.51 0.00 0.00 0.00 175.29 175.16 2bub s LEU 142 N -2.91 3.38 -0.05 2.60 1.02 -1.26 -1.62 118.68 119.84 2bub s LEU 142 Ca 0.12 2.14 -0.11 0.00 0.02 0.00 0.00 54.13 56.29 2bub s LEU 142 Cb 0.01 -4.57 -0.05 0.00 0.02 0.00 0.00 46.19 41.61 2bub s LEU 142 CO -0.03 -1.84 0.30 -0.63 0.02 0.00 0.00 176.35 174.17 2bub s ILE 143 N -2.18 5.23 0.00 -0.59 1.09 -0.23 -4.86 121.20 119.67 2bub s ILE 143 Ca 0.70 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.81 2bub s ILE 143 Cb -0.24 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 2bub s ILE 143 CO 0.42 0.58 0.00 0.35 -0.10 0.00 0.00 174.94 176.20 2bub n THR 144 N 1.85 0.00 -2.60 2.92 -2.24 -1.26 -4.77 114.28 108.18 2bub n THR 144 Ca -0.16 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 2bub n THR 144 Cb 0.53 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2bub n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bub s GLU 145 N -0.84 3.40 0.00 -0.78 2.02 -1.26 -4.36 118.70 116.88 2bub s GLU 145 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2bub s GLU 145 Cb 0.00 -4.79 0.00 0.00 0.10 0.00 0.00 34.13 29.44 2bub s GLU 145 CO 0.00 -2.13 0.00 0.39 0.02 0.00 0.00 175.26 173.54 2bub n GLU 146 N 8.86 0.00 -1.19 1.61 -0.58 -1.26 -4.58 120.64 123.49 2bub n GLU 146 Ca 0.18 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.57 2bub n GLU 146 Cb 0.50 -2.33 0.10 0.00 -0.57 0.00 0.00 31.44 29.14 2bub n GLU 146 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2bub n ARG 147 N -0.81 0.26 -1.61 3.49 1.74 -1.26 -4.86 116.66 113.61 2bub n ARG 147 Ca 0.00 0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 2bub n ARG 147 Cb 0.47 -2.15 -0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2bub n ARG 147 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2bub n ILE 148 N -2.86 2.15 -2.45 0.55 5.41 -1.26 -4.91 119.36 115.99 2bub n ILE 148 Ca 0.12 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 63.01 2bub n ILE 148 Cb 0.50 -1.15 -0.03 0.00 -0.71 0.00 0.00 39.64 38.26 2bub n ILE 148 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2bub s PRO 149 N -1.78 3.87 1.09 0.38 0.02 -1.26 -4.69 135.00 132.62 2bub s PRO 149 Ca 0.60 1.53 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 2bub s PRO 149 Cb -0.62 -2.30 0.24 0.00 0.02 0.00 0.00 34.50 31.84 2bub s PRO 149 CO 0.59 -0.40 1.06 -0.80 -0.33 0.00 0.00 177.00 177.12 2bub s ASN 150 N -1.68 1.64 -1.38 2.53 0.01 -1.26 -3.62 114.94 111.18 2bub s ASN 150 Ca 0.64 1.55 -0.06 0.00 -0.71 0.00 0.00 52.86 54.28 2bub s ASN 150 Cb -0.22 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2bub s ASN 150 CO 0.26 -3.79 0.41 0.59 -1.51 0.00 0.00 177.10 173.06 2bub n ASN 151 N -4.65 -1.06 -4.83 -1.22 3.02 -1.24 -4.96 115.26 100.32 2bub n ASN 151 Ca 0.05 -1.08 -0.37 0.00 -0.03 0.00 0.00 54.58 53.14 2bub n ASN 151 Cb 0.54 -2.71 -0.06 0.00 -0.61 0.00 0.00 39.78 36.94 2bub n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bub s THR 152 N -3.94 4.84 -0.19 3.41 2.01 -0.93 -4.63 115.64 116.22 2bub s THR 152 Ca 0.11 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.12 2bub s THR 152 Cb -0.05 -3.80 -0.21 0.00 0.01 0.00 0.00 72.50 68.45 2bub s THR 152 CO 0.91 0.46 0.07 0.00 -0.69 0.00 0.00 174.62 175.37 2bub n GLN 153 N 1.43 0.69 -3.79 4.92 6.02 0.11 -1.86 117.38 124.90 2bub n GLN 153 Ca -0.09 0.18 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 2bub n GLN 153 Cb 0.51 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 2bub n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2bub s TRP 154 N -2.54 -0.25 -0.01 1.08 -0.11 -1.23 -4.46 118.94 111.42 2bub s TRP 154 Ca -0.26 0.60 0.01 0.00 1.22 0.00 0.00 56.10 57.67 2bub s TRP 154 Cb 0.08 0.09 0.00 0.00 -1.50 0.00 0.00 33.47 32.13 2bub s TRP 154 CO 0.70 -0.15 -0.03 0.08 -4.62 0.00 0.00 176.95 172.92 2bub s VAL 155 N -0.02 0.28 -0.11 5.86 1.01 -1.26 -1.27 120.40 124.89 2bub s VAL 155 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2bub s VAL 155 Cb -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.14 2bub s VAL 155 CO 0.01 0.09 0.40 0.28 0.00 0.00 0.00 175.10 175.88 2bub s THR 156 N 0.07 0.01 0.50 3.92 -1.32 -0.72 -5.02 115.64 113.08 2bub s THR 156 Ca -0.00 -0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.15 2bub s THR 156 Cb -0.03 -0.60 -0.07 0.00 -1.51 0.00 0.00 72.50 70.29 2bub s THR 156 CO -0.00 -0.06 1.11 0.26 -2.21 0.00 0.00 174.62 173.71 2bub s TRP 157 N -0.23 2.85 0.87 9.09 0.52 -1.26 -2.22 118.94 128.56 2bub s TRP 157 Ca -0.04 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.53 2bub s TRP 157 Cb -0.03 -3.25 0.12 0.00 -1.15 0.00 0.00 33.47 29.16 2bub s TRP 157 CO 0.02 -1.30 1.15 -1.54 0.02 0.00 0.00 176.95 175.29 2bub s SER 158 N -1.70 3.34 0.00 2.95 1.04 -0.84 -4.88 113.70 113.61 2bub s SER 158 Ca 0.68 2.16 0.27 0.00 0.48 0.00 0.00 55.95 59.54 2bub s SER 158 Cb -0.23 -2.56 1.43 0.00 0.10 0.00 0.00 66.02 64.75 2bub s SER 158 CO 0.27 -2.83 1.94 -0.81 0.98 0.00 0.00 173.24 172.80 2bub n PRO 159 N -3.92 1.23 -4.14 4.02 -0.04 -1.26 -4.72 135.00 126.18 2bub n PRO 159 Ca 0.12 -0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.15 2bub n PRO 159 Cb 0.52 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2bub n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bub s VAL 160 N -1.98 0.13 0.00 0.52 1.01 -1.26 -4.86 120.40 113.96 2bub s VAL 160 Ca 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2bub s VAL 160 Cb 0.19 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2bub s VAL 160 CO 0.32 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2bub n GLY 161 N -0.05 2.16 2.65 4.51 0.00 -1.26 -4.14 105.19 109.07 2bub n GLY 161 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 2bub n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bub n HIS 162 N 14.00 1.24 -1.41 1.61 1.44 -1.26 -3.46 115.22 127.38 2bub n HIS 162 Ca 0.00 -2.00 -0.30 0.00 -2.01 0.00 0.00 57.72 53.41 2bub n HIS 162 Cb 0.00 -0.23 0.10 0.00 0.12 0.00 0.00 29.99 29.98 2bub n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2bub s LYS 163 N -3.46 2.06 -0.00 -1.40 1.02 -1.26 -4.56 119.74 112.14 2bub s LYS 163 Ca 0.29 0.84 0.03 0.00 0.02 0.00 0.00 55.97 57.15 2bub s LYS 163 Cb 0.33 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 2bub s LYS 163 CO -0.05 -1.69 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.10 2bub s LEU 164 N -5.88 2.04 0.03 3.17 1.43 -1.13 -1.98 118.68 116.36 2bub s LEU 164 Ca 0.61 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2bub s LEU 164 Cb -0.16 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2bub s LEU 164 CO 0.55 0.08 -0.04 0.00 0.23 0.00 0.00 176.35 177.17 2bub s ALA 165 N -0.29 0.33 0.00 4.21 0.00 -0.94 -0.26 121.76 124.81 2bub s ALA 165 Ca 0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2bub s ALA 165 Cb -0.04 0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.32 2bub s ALA 165 CO -0.00 -0.15 1.11 1.52 0.00 0.00 0.00 175.76 178.23 2bub s TYR 166 N -1.86 -0.14 -0.07 0.00 -0.85 -0.01 -1.76 117.35 112.66 2bub s TYR 166 Ca -0.10 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2bub s TYR 166 Cb -0.07 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.86 2bub s TYR 166 CO -0.02 -0.47 -0.05 0.08 -1.52 0.00 0.00 175.55 173.57 2bub s VAL 167 N -2.80 0.70 -0.15 -3.49 1.01 -0.40 -0.33 120.40 114.95 2bub s VAL 167 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2bub s VAL 167 Cb 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.70 2bub s VAL 167 CO -0.03 0.28 0.06 0.86 0.00 0.00 0.00 175.10 176.27 2bub s TRP 168 N 1.29 0.50 -0.93 5.22 -0.00 -0.51 -0.71 118.94 123.79 2bub s TRP 168 Ca -0.05 -0.38 -0.03 0.00 -0.00 0.00 0.00 56.10 55.65 2bub s TRP 168 Cb -0.14 -0.78 0.00 0.00 -0.00 0.00 0.00 33.47 32.56 2bub s TRP 168 CO -0.02 -0.47 0.79 0.09 -0.00 0.00 0.00 176.95 177.34 2bub n ASN 169 N 5.19 -3.34 -2.49 5.86 4.13 -1.26 -3.45 115.26 119.91 2bub n ASN 169 Ca -0.07 -0.43 -0.19 0.00 1.68 0.00 0.00 54.58 55.57 2bub n ASN 169 Cb 0.49 -3.87 -0.00 0.00 -1.54 0.00 0.00 39.78 34.85 2bub n ASN 169 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2bub n ASN 170 N -2.26 -5.34 -4.12 6.41 4.13 -1.26 -4.06 115.26 108.76 2bub n ASN 170 Ca -0.12 0.01 -0.22 0.00 1.68 0.00 0.00 54.58 55.93 2bub n ASN 170 Cb 0.59 -4.45 -0.15 0.00 -1.54 0.00 0.00 39.78 34.24 2bub n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2bub s ASP 171 N -2.11 1.69 -0.12 6.41 1.01 -1.22 -2.20 116.67 120.13 2bub s ASP 171 Ca 0.04 -0.31 -0.17 0.00 0.71 0.00 0.00 52.55 52.81 2bub s ASP 171 Cb -0.02 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 2bub s ASP 171 CO 0.04 0.14 0.44 -0.63 0.21 0.00 0.00 175.17 175.37 2bub s ILE 172 N -0.47 5.20 -0.06 0.77 1.01 -1.26 -1.42 121.20 124.97 2bub s ILE 172 Ca 0.05 0.87 0.04 0.00 0.00 0.00 0.00 60.65 61.61 2bub s ILE 172 Cb -0.06 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2bub s ILE 172 CO -0.00 0.35 -0.17 -0.31 0.00 0.00 0.00 174.94 174.81 2bub s TYR 173 N 0.50 1.77 0.34 3.97 1.51 0.55 -1.20 117.35 124.78 2bub s TYR 173 Ca 0.24 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2bub s TYR 173 Cb -0.15 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2bub s TYR 173 CO 0.09 -0.24 0.47 0.08 -1.11 0.00 0.00 175.55 174.85 2bub s VAL 174 N 0.26 4.05 -0.47 0.71 1.01 -0.51 -0.83 120.40 124.62 2bub s VAL 174 Ca -0.09 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 60.95 2bub s VAL 174 Cb -0.14 -3.40 0.22 0.00 0.00 0.00 0.00 36.38 33.06 2bub s VAL 174 CO 0.04 -0.15 0.70 1.17 0.00 0.00 0.00 175.10 176.85 2bub n LYS 175 N -1.64 0.62 -0.09 2.72 4.81 0.64 0.14 118.16 125.36 2bub n LYS 175 Ca 0.00 -2.31 -0.02 0.00 -0.87 0.00 0.00 58.31 55.11 2bub n LYS 175 Cb 0.58 -1.45 -0.02 0.00 0.02 0.00 0.00 35.03 34.16 2bub n LYS 175 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2bub n ILE 176 N 2.11 -0.14 -4.12 3.15 2.08 -1.26 -2.85 119.36 118.32 2bub n ILE 176 Ca 0.17 1.04 -0.34 0.00 0.56 0.00 0.00 62.75 64.17 2bub n ILE 176 Cb 0.57 -1.34 -0.07 0.00 -0.75 0.00 0.00 39.64 38.05 2bub n ILE 176 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2bub s GLU 177 N -3.85 3.14 0.62 0.38 0.41 -1.26 -4.07 118.70 114.08 2bub s GLU 177 Ca -0.03 -0.37 0.33 0.00 -0.41 0.00 0.00 54.97 54.50 2bub s GLU 177 Cb 0.02 -2.93 1.90 0.00 -1.78 0.00 0.00 34.13 31.35 2bub s GLU 177 CO 0.13 0.70 2.18 -1.35 -0.49 0.00 0.00 175.26 176.43 2bub h PRO 178 N 4.60 0.00 -0.01 0.39 0.11 -1.81 -2.74 132.00 132.54 2bub h PRO 178 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bub h PRO 178 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bub h PRO 178 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2bub n ASN 179 N -3.49 1.48 -4.97 -2.05 6.94 -1.26 -4.93 115.26 106.98 2bub n ASN 179 Ca -0.01 -1.41 -0.21 0.00 -0.02 0.00 0.00 54.58 52.93 2bub n ASN 179 Cb 0.22 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 37.65 2bub n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2bub s LEU 180 N -0.44 3.52 0.21 -4.53 1.43 -1.03 -4.76 118.68 113.08 2bub s LEU 180 Ca 0.02 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2bub s LEU 180 Cb 0.01 -2.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 2bub s LEU 180 CO 0.01 -0.87 1.46 -2.84 0.23 0.00 0.00 176.35 174.34 2bub s PRO 181 N -4.58 4.27 0.63 1.29 0.02 -1.26 -4.83 135.00 130.54 2bub s PRO 181 Ca 0.53 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.67 2bub s PRO 181 Cb -0.10 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2bub s PRO 181 CO 0.37 -0.46 1.08 -1.54 -0.33 0.00 0.00 177.00 176.12 2bub s SER 182 N 0.64 5.44 0.11 2.53 1.04 -1.26 -4.80 113.70 117.40 2bub s SER 182 Ca 0.62 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.99 2bub s SER 182 Cb -0.41 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.13 2bub s SER 182 CO 0.38 -1.40 0.14 -0.31 0.98 0.00 0.00 173.24 173.04 2bub s TYR 183 N -2.41 3.27 -0.26 5.02 1.51 0.12 -4.96 117.35 119.65 2bub s TYR 183 Ca 0.65 0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.71 2bub s TYR 183 Cb -0.18 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 2bub s TYR 183 CO 0.40 0.53 0.10 0.50 -1.11 0.00 0.00 175.55 175.97 2bub s ARG 184 N -2.74 3.74 -0.17 -0.62 3.52 -1.26 -1.42 118.95 120.00 2bub s ARG 184 Ca 0.31 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.56 2bub s ARG 184 Cb -0.12 -3.42 -0.23 0.00 -1.56 0.00 0.00 34.95 29.63 2bub s ARG 184 CO 0.24 -0.19 0.16 -0.89 -0.81 0.00 0.00 175.30 173.82 2bub n ILE 185 N 4.96 1.53 -4.11 4.11 2.08 -0.34 -4.50 119.36 123.09 2bub n ILE 185 Ca -0.16 -0.73 -0.12 0.00 0.56 0.00 0.00 62.75 62.30 2bub n ILE 185 Cb 0.52 -1.05 -0.11 0.00 -0.75 0.00 0.00 39.64 38.24 2bub n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2bub s THR 186 N -2.53 0.59 -0.01 1.39 -4.23 -1.23 -4.83 115.64 104.79 2bub s THR 186 Ca -0.18 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2bub s THR 186 Cb 0.07 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.87 2bub s THR 186 CO 0.76 -0.59 0.81 0.79 -0.54 0.00 0.00 174.62 175.84 2bub n TRP 187 N 0.83 0.00 0.45 3.99 7.02 -1.26 -4.52 117.44 123.95 2bub n TRP 187 Ca -0.18 -0.30 0.12 0.00 -1.02 0.00 0.00 57.50 56.12 2bub n TRP 187 Cb 0.57 -0.04 0.25 0.00 -2.42 0.00 0.00 31.31 29.68 2bub n TRP 187 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2bub h THR 188 N 1.60 0.00 -0.97 -0.99 1.35 -1.96 -3.48 112.91 108.46 2bub h THR 188 Ca 0.00 -0.68 -0.67 0.00 -0.55 0.00 0.00 66.41 64.51 2bub h THR 188 Cb 0.78 1.55 0.10 0.00 -1.73 0.00 0.00 68.15 68.85 2bub h THR 188 CO 0.00 0.00 -0.41 0.61 -0.25 0.00 0.00 175.52 175.47 2bub n GLY 189 N 1.24 -1.44 3.15 5.82 0.00 -1.25 -4.74 105.19 107.97 2bub n GLY 189 Ca 0.04 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.51 2bub n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bub s LYS 190 N -0.80 0.34 -0.07 1.61 2.20 -1.18 -4.93 119.74 116.92 2bub s LYS 190 Ca 0.67 0.57 -0.34 0.00 -0.36 0.00 0.00 55.97 56.50 2bub s LYS 190 Cb -0.96 0.31 -0.17 0.00 -1.51 0.00 0.00 37.83 35.50 2bub s LYS 190 CO 0.54 -0.42 0.96 -1.91 -0.36 0.00 0.00 175.35 174.16 2bub n GLU 191 N 5.42 0.00 -1.17 4.03 2.13 -1.26 -1.32 120.64 128.47 2bub n GLU 191 Ca -0.03 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.74 2bub n GLU 191 Cb 0.53 -1.24 -0.02 0.00 0.27 0.00 0.00 31.44 30.97 2bub n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2bub n ASP 192 N 1.57 -4.50 0.07 4.31 8.00 -1.26 -4.69 116.55 120.06 2bub n ASP 192 Ca 0.18 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2bub n ASP 192 Cb 0.05 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 2bub n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bub n ILE 193 N -2.56 0.00 -5.16 0.53 -0.00 -0.44 -4.81 119.36 106.92 2bub n ILE 193 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.38 2bub n ILE 193 Cb 0.32 -0.42 -0.15 0.00 -0.00 0.00 0.00 39.64 39.39 2bub n ILE 193 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2bub s ILE 194 N -2.00 2.25 -0.09 1.39 -1.09 -0.60 -1.03 121.20 120.04 2bub s ILE 194 Ca 0.00 -1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 57.31 2bub s ILE 194 Cb 0.00 -1.82 0.03 0.00 -1.58 0.00 0.00 42.46 39.09 2bub s ILE 194 CO 0.00 0.54 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.93 2bub s TYR 195 N -0.67 0.83 -0.25 3.97 1.51 -1.13 -3.10 117.35 118.51 2bub s TYR 195 Ca 0.11 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2bub s TYR 195 Cb -0.10 -0.89 0.05 0.00 -0.11 0.00 0.00 41.96 40.91 2bub s TYR 195 CO -0.00 -0.38 -0.10 -0.80 -1.11 0.00 0.00 175.55 173.16 2bub s ASN 196 N 1.92 4.30 -0.69 2.29 0.01 -0.93 -2.88 114.94 118.95 2bub s ASN 196 Ca 0.05 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 2bub s ASN 196 Cb -0.13 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.96 2bub s ASN 196 CO -0.06 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 2bub n GLY 197 N 4.51 0.82 3.32 0.66 0.00 -0.58 -4.13 105.19 109.79 2bub n GLY 197 Ca -0.15 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 2bub n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bub s ILE 198 N -2.26 0.02 0.20 -0.61 -4.36 -1.26 -2.45 121.20 110.48 2bub s ILE 198 Ca 0.00 -0.16 -0.28 0.00 -0.26 0.00 0.00 60.65 59.95 2bub s ILE 198 Cb 0.00 -0.66 -0.08 0.00 1.25 0.00 0.00 42.46 42.97 2bub s ILE 198 CO 0.00 -0.09 0.88 0.42 0.24 0.00 0.00 174.94 176.40 2bub s THR 199 N -0.45 4.23 0.76 8.37 -4.23 0.55 -4.76 115.64 120.12 2bub s THR 199 Ca -0.06 1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 62.27 2bub s THR 199 Cb -0.03 -4.26 0.19 0.00 1.34 0.00 0.00 72.50 69.74 2bub s THR 199 CO 0.03 0.48 0.59 -0.90 -0.54 0.00 0.00 174.62 174.29 2bub n ASP 200 N 1.71 -2.19 0.05 3.99 5.75 -1.26 -4.69 116.55 119.90 2bub n ASP 200 Ca -0.03 -0.76 -0.03 0.00 -0.01 0.00 0.00 54.79 53.96 2bub n ASP 200 Cb 0.48 -0.58 0.21 0.00 -1.03 0.00 0.00 41.12 40.19 2bub n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2bub h TRP 201 N -2.47 0.43 0.07 2.11 7.01 -1.98 -2.12 115.95 118.99 2bub h TRP 201 Ca -0.24 -0.10 -0.24 0.00 2.11 0.00 0.00 58.89 60.41 2bub h TRP 201 Cb 0.75 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.70 2bub h TRP 201 CO 0.00 0.67 -1.08 -0.39 -2.79 0.00 0.00 178.44 174.85 2bub h VAL 202 N 0.33 1.48 0.00 2.65 -1.51 -1.92 -2.84 116.25 114.44 2bub h VAL 202 Ca 0.04 -2.83 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 2bub h VAL 202 Cb 0.75 2.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 2bub h VAL 202 CO 0.06 0.83 0.00 1.88 -1.23 0.00 0.00 177.57 179.11 2bub h TYR 203 N 0.12 0.00 0.44 5.19 -1.99 -1.90 0.85 116.97 119.68 2bub h TYR 203 Ca -0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 2bub h TYR 203 Cb 1.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.50 2bub h TYR 203 CO 0.05 0.00 -0.21 1.49 -0.00 0.00 0.00 178.16 179.49 2bub h GLU 204 N 0.00 -0.57 0.22 4.88 4.81 -1.37 -1.85 114.58 120.70 2bub h GLU 204 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bub h GLU 204 Cb 0.86 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2bub h GLU 204 CO 0.00 -0.31 -0.11 1.49 -0.73 0.00 0.00 179.01 179.35 2bub h GLU 205 N -1.09 -0.28 0.00 1.92 4.57 -1.33 -0.20 114.58 118.16 2bub h GLU 205 Ca -0.06 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2bub h GLU 205 Cb 0.52 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2bub h GLU 205 CO 0.10 0.07 -1.15 0.93 -1.18 0.00 0.00 179.01 177.78 2bub h GLU 206 N -0.93 0.00 0.00 1.92 4.39 0.49 -3.38 114.58 117.08 2bub h GLU 206 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2bub h GLU 206 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2bub h GLU 206 CO 0.05 0.20 -0.66 0.28 -1.16 0.00 0.00 179.01 177.71 2bub n VAL 207 N -2.85 1.39 0.71 3.13 0.31 -1.20 -4.85 118.33 114.98 2bub n VAL 207 Ca -0.05 0.23 0.07 0.00 -0.01 0.00 0.00 64.34 64.58 2bub n VAL 207 Cb 0.72 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 2bub n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2bub n PHE 208 N -4.10 0.00 -3.83 3.52 3.72 -0.69 -4.97 117.46 111.11 2bub n PHE 208 Ca -0.09 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.03 2bub n PHE 208 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2bub n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bub n SER 209 N -1.17 -4.80 0.00 4.37 7.64 -0.11 -4.89 113.62 114.66 2bub n SER 209 Ca 0.03 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2bub n SER 209 Cb 0.25 -1.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 2bub n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bub n ALA 210 N -3.05 0.00 0.13 -0.43 0.00 -1.06 -5.02 120.51 111.08 2bub n ALA 210 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2bub n ALA 210 Cb 0.67 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.20 2bub n ALA 210 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2bub h TYR 211 N 0.00 0.00 -3.90 0.00 3.20 -1.88 -3.39 116.97 111.00 2bub h TYR 211 Ca 0.00 0.00 -0.49 0.00 3.14 0.00 0.00 58.73 61.38 2bub h TYR 211 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 2bub h TYR 211 CO 0.00 0.62 0.43 0.45 -1.64 0.00 0.00 178.16 178.01 2bub s SER 212 N -6.57 6.99 -0.33 -2.11 0.15 -1.26 -0.33 113.70 110.24 2bub s SER 212 Ca 0.02 2.10 0.14 0.00 0.70 0.00 0.00 55.95 58.91 2bub s SER 212 Cb 0.10 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.27 2bub s SER 212 CO 0.75 -0.33 1.08 0.00 1.20 0.00 0.00 173.24 175.94 2bub n ALA 213 N 0.44 3.92 -2.59 5.45 0.00 -1.02 -4.56 120.51 122.15 2bub n ALA 213 Ca 0.03 -3.45 -0.27 0.00 0.00 0.00 0.00 53.44 49.74 2bub n ALA 213 Cb 0.48 -0.71 -0.16 0.00 0.00 0.00 0.00 19.45 19.06 2bub n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bub s LEU 214 N -3.49 2.01 -0.18 0.00 1.43 -1.26 -2.65 118.68 114.54 2bub s LEU 214 Ca 0.37 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2bub s LEU 214 Cb 0.40 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.63 2bub s LEU 214 CO -0.04 0.22 0.14 0.26 0.23 0.00 0.00 176.35 177.17 2bub s TRP 215 N -0.31 0.01 0.73 0.29 0.51 0.11 -4.97 118.94 115.30 2bub s TRP 215 Ca 0.04 -0.08 -0.11 0.00 -2.12 0.00 0.00 56.10 53.83 2bub s TRP 215 Cb -0.09 -0.55 0.03 0.00 -0.81 0.00 0.00 33.47 32.04 2bub s TRP 215 CO 0.00 -0.53 1.08 -1.58 -0.51 0.00 0.00 176.95 175.41 2bub s TRP 216 N 2.21 2.85 -0.07 -1.98 0.52 -1.26 -0.48 118.94 120.73 2bub s TRP 216 Ca 0.04 1.49 -0.23 0.00 0.02 0.00 0.00 56.10 57.42 2bub s TRP 216 Cb -0.16 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 2bub s TRP 216 CO -0.10 -1.50 0.67 0.45 0.02 0.00 0.00 176.95 176.49 2bub s SER 217 N -3.56 6.95 0.30 2.95 0.15 0.38 -4.87 113.70 116.00 2bub s SER 217 Ca 0.60 1.14 0.10 0.00 0.70 0.00 0.00 55.95 58.49 2bub s SER 217 Cb -0.16 -2.39 0.92 0.00 -1.71 0.00 0.00 66.02 62.68 2bub s SER 217 CO 0.55 -0.09 1.40 -2.65 1.20 0.00 0.00 173.24 173.65 2bub n PRO 218 N 3.70 -0.06 -0.23 5.44 -0.02 -1.26 0.35 135.00 142.92 2bub n PRO 218 Ca -0.02 1.28 0.04 0.00 -2.02 0.00 0.00 63.50 62.78 2bub n PRO 218 Cb 0.51 -2.16 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 2bub n PRO 218 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2bub h ASN 219 N 0.00 -0.02 0.00 2.55 2.35 -1.91 -3.42 115.58 115.14 2bub h ASN 219 Ca 0.64 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.53 2bub h ASN 219 Cb 1.52 0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.08 2bub h ASN 219 CO -0.77 -0.03 0.00 0.61 -1.65 0.00 0.00 177.43 175.59 2bub n GLY 220 N -1.35 3.01 0.16 2.83 0.00 1.09 -4.54 105.19 106.39 2bub n GLY 220 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2bub n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bub h THR 221 N 0.00 0.64 -3.07 2.61 2.02 -1.89 -3.42 112.91 109.79 2bub h THR 221 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 2bub h THR 221 Cb 0.00 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 2bub h THR 221 CO 0.00 0.00 -0.59 -0.36 0.37 0.00 0.00 175.52 174.94 2bub s PHE 222 N -6.19 3.20 -0.19 3.16 0.08 -1.26 -0.83 117.98 115.95 2bub s PHE 222 Ca -0.14 0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2bub s PHE 222 Cb 0.12 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2bub s PHE 222 CO 0.69 0.52 -0.18 -1.17 -0.10 0.00 0.00 175.22 174.99 2bub s LEU 223 N -2.54 2.37 0.02 -0.37 0.20 -0.64 -0.47 118.68 117.25 2bub s LEU 223 Ca 0.30 -0.79 0.02 0.00 0.69 0.00 0.00 54.13 54.35 2bub s LEU 223 Cb -0.12 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 2bub s LEU 223 CO 0.23 -0.04 0.01 0.00 -0.29 0.00 0.00 176.35 176.26 2bub s ALA 224 N 1.26 3.33 -0.07 5.97 0.00 0.37 -0.48 121.76 132.14 2bub s ALA 224 Ca 0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2bub s ALA 224 Cb -0.14 -1.34 0.11 0.00 0.00 0.00 0.00 23.12 21.75 2bub s ALA 224 CO -0.11 0.67 0.94 1.52 0.00 0.00 0.00 175.76 178.78 2bub s TYR 225 N -1.16 -0.35 0.29 0.00 -0.85 -0.61 0.05 117.35 114.71 2bub s TYR 225 Ca 0.22 0.39 0.10 0.00 -0.52 0.00 0.00 57.07 57.25 2bub s TYR 225 Cb -0.12 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.68 2bub s TYR 225 CO 0.13 -0.45 -0.01 0.00 -1.52 0.00 0.00 175.55 173.70 2bub s ALA 226 N -2.29 3.15 -0.04 9.51 0.00 -1.09 -1.46 121.76 129.55 2bub s ALA 226 Ca 0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 2bub s ALA 226 Cb -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2bub s ALA 226 CO -0.04 0.21 0.08 -1.14 0.00 0.00 0.00 175.76 174.86 2bub s GLN 227 N -3.68 -0.03 0.01 0.00 0.74 -0.36 -1.52 119.66 114.82 2bub s GLN 227 Ca 0.32 0.35 0.03 0.00 0.05 0.00 0.00 55.36 56.11 2bub s GLN 227 Cb -0.05 -0.35 -0.03 0.00 1.10 0.00 0.00 33.01 33.68 2bub s GLN 227 CO 0.19 -0.26 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.57 2bub s PHE 228 N 1.72 2.93 -0.35 1.67 2.99 -1.14 -1.06 117.98 124.74 2bub s PHE 228 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 56.93 56.78 2bub s PHE 228 Cb -0.12 -1.62 -0.00 0.00 0.00 0.00 0.00 43.02 41.28 2bub s PHE 228 CO -0.04 0.39 0.23 1.21 -0.00 0.00 0.00 175.22 177.02 2bub s ASN 229 N -1.48 5.93 -0.31 1.36 3.84 -0.60 -2.83 114.94 120.86 2bub s ASN 229 Ca 0.18 -0.59 0.10 0.00 0.21 0.00 0.00 52.86 52.76 2bub s ASN 229 Cb -0.11 -2.10 0.73 0.00 -0.55 0.00 0.00 41.25 39.21 2bub s ASN 229 CO 0.08 -0.28 1.77 0.47 -2.79 0.00 0.00 177.10 176.35 2bub n ASP 230 N 5.08 4.72 0.19 -4.21 9.92 -0.20 -2.15 116.55 129.90 2bub n ASP 230 Ca -0.12 -3.23 -0.16 0.00 -0.53 0.00 0.00 54.79 50.74 2bub n ASP 230 Cb 0.49 -0.73 -0.08 0.00 -0.64 0.00 0.00 41.12 40.16 2bub n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2bub h THR 231 N 2.59 0.11 -0.40 -3.53 2.02 -1.88 -2.86 112.91 108.97 2bub h THR 231 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2bub h THR 231 Cb 2.24 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2bub h THR 231 CO 0.68 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 2bub n GLU 232 N -5.50 2.89 -2.63 6.66 1.02 -1.26 -4.85 120.64 116.97 2bub n GLU 232 Ca -0.09 -1.83 -0.42 0.00 -0.02 0.00 0.00 57.16 54.79 2bub n GLU 232 Cb 0.41 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2bub n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bub s VAL 233 N -1.82 4.64 0.97 2.62 1.01 -1.08 -4.71 120.40 122.04 2bub s VAL 233 Ca 0.32 1.92 -0.11 0.00 0.00 0.00 0.00 61.98 64.11 2bub s VAL 233 Cb 0.22 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.54 2bub s VAL 233 CO 0.14 0.03 1.10 -2.84 0.00 0.00 0.00 175.10 173.52 2bub s PRO 234 N 1.90 0.63 -0.10 2.72 0.02 -1.26 -4.73 135.00 134.18 2bub s PRO 234 Ca 0.51 1.16 -0.01 0.00 0.02 0.00 0.00 61.00 62.68 2bub s PRO 234 Cb -0.20 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2bub s PRO 234 CO 0.21 -2.77 -0.07 -0.51 -0.33 0.00 0.00 177.00 173.53 2bub s LEU 235 N -6.63 3.13 -0.05 -5.54 1.43 -1.26 -1.99 118.68 107.76 2bub s LEU 235 Ca 0.66 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 2bub s LEU 235 Cb -0.22 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2bub s LEU 235 CO 0.59 0.28 0.48 -0.51 0.23 0.00 0.00 176.35 177.42 2bub s ILE 236 N -0.29 5.06 -0.04 -0.59 1.10 -0.41 -4.85 121.20 121.19 2bub s ILE 236 Ca 0.04 0.99 0.05 0.00 -0.51 0.00 0.00 60.65 61.22 2bub s ILE 236 Cb -0.13 -3.81 -0.01 0.00 0.15 0.00 0.00 42.46 38.66 2bub s ILE 236 CO 0.02 0.43 -0.20 -1.61 -2.11 0.00 0.00 174.94 171.47 2bub s GLU 237 N -0.10 1.94 0.25 3.50 2.02 -1.26 -1.29 118.70 123.76 2bub s GLU 237 Ca 0.26 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.39 2bub s GLU 237 Cb -0.16 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.37 2bub s GLU 237 CO 0.13 0.32 0.55 1.52 0.02 0.00 0.00 175.26 177.80 2bub s TYR 238 N -0.12 0.16 0.03 1.61 -0.85 -0.40 -5.00 117.35 112.78 2bub s TYR 238 Ca -0.01 -0.55 -0.22 0.00 -0.52 0.00 0.00 57.07 55.78 2bub s TYR 238 Cb -0.11 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.53 2bub s TYR 238 CO 0.02 -1.06 0.64 -1.12 -1.52 0.00 0.00 175.55 172.51 2bub s SER 239 N -2.98 7.07 -0.23 -0.18 0.01 -1.26 0.37 113.70 116.52 2bub s SER 239 Ca 0.18 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.73 2bub s SER 239 Cb -0.02 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.85 2bub s SER 239 CO 0.07 0.13 -0.14 0.12 0.41 0.00 0.00 173.24 173.83 2bub s PHE 240 N -0.42 3.04 -0.44 2.43 5.36 0.13 -4.63 117.98 123.45 2bub s PHE 240 Ca 0.32 -1.96 0.25 0.00 -0.96 0.00 0.00 56.93 54.59 2bub s PHE 240 Cb -0.19 -1.94 0.60 0.00 -0.34 0.00 0.00 43.02 41.15 2bub s PHE 240 CO 0.19 -0.83 1.70 1.88 -1.46 0.00 0.00 175.22 176.70 2bub h TYR 241 N 7.87 0.00 -0.86 10.12 0.05 -1.95 -0.48 116.97 131.71 2bub h TYR 241 Ca -0.32 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.49 2bub h TYR 241 Cb 1.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2bub h TYR 241 CO 0.56 0.00 -0.04 0.45 -1.05 0.00 0.00 178.16 178.08 2bub n SER 242 N -2.88 -2.50 -4.75 3.88 2.88 -1.26 -4.72 113.62 104.28 2bub n SER 242 Ca 0.04 0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.36 2bub n SER 242 Cb 0.47 -0.39 0.07 0.00 -0.75 0.00 0.00 64.21 63.61 2bub n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2bub s ASP 243 N -3.88 4.63 0.28 -3.46 -0.00 -1.26 -4.90 116.67 108.08 2bub s ASP 243 Ca 0.00 2.13 -0.03 0.00 -0.00 0.00 0.00 52.55 54.65 2bub s ASP 243 Cb 0.00 -2.56 0.61 0.00 -0.00 0.00 0.00 42.92 40.96 2bub s ASP 243 CO 0.00 -1.96 1.59 -0.08 -0.00 0.00 0.00 175.17 174.72 2bub h GLU 244 N -0.25 0.03 -0.99 8.23 4.81 -2.04 0.13 114.58 124.50 2bub h GLU 244 Ca -0.47 -0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.05 2bub h GLU 244 Cb 1.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 2bub h GLU 244 CO 0.52 0.02 1.03 0.66 -0.73 0.00 0.00 179.01 180.51 2bub h SER 245 N 0.04 0.00 -2.72 1.04 4.64 -1.96 -3.39 113.55 111.20 2bub h SER 245 Ca 0.52 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.30 2bub h SER 245 Cb 0.99 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 2bub h SER 245 CO -0.87 0.00 1.11 -0.22 -0.87 0.00 0.00 176.83 175.98 2bub s LEU 246 N -6.96 3.37 0.09 5.97 0.20 0.45 -4.92 118.68 116.88 2bub s LEU 246 Ca -0.03 0.19 -0.27 0.00 0.69 0.00 0.00 54.13 54.71 2bub s LEU 246 Cb 0.16 -2.96 -0.13 0.00 -0.43 0.00 0.00 46.19 42.83 2bub s LEU 246 CO 0.55 -1.76 1.67 -0.61 -0.29 0.00 0.00 176.35 175.91 2bub h GLN 247 N 11.14 -0.40 -5.25 1.98 4.15 -1.88 -3.41 115.11 121.44 2bub h GLN 247 Ca -0.27 0.03 -0.64 0.00 0.77 0.00 0.00 58.65 58.54 2bub h GLN 247 Cb 1.09 0.09 -0.22 0.00 0.21 0.00 0.00 27.48 28.65 2bub h GLN 247 CO 1.19 -0.27 -0.67 0.71 -1.93 0.00 0.00 178.83 177.86 2bub s TYR 248 N -6.11 3.01 0.69 3.99 1.51 -1.26 -5.10 117.35 114.08 2bub s TYR 248 Ca -0.15 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.37 2bub s TYR 248 Cb 0.06 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2bub s TYR 248 CO 0.65 -0.10 1.26 -2.14 -1.11 0.00 0.00 175.55 174.10 2bub s PRO 249 N 0.53 2.32 0.32 -1.71 0.02 -1.26 -5.00 135.00 130.22 2bub s PRO 249 Ca -0.03 1.94 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 2bub s PRO 249 Cb -0.14 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2bub s PRO 249 CO 0.03 -1.74 0.59 0.21 -0.33 0.00 0.00 177.00 175.76 2bub s LYS 250 N -3.62 3.62 -0.21 5.54 2.36 -0.19 -4.91 119.74 122.33 2bub s LYS 250 Ca 0.79 0.03 -0.05 0.00 -2.55 0.00 0.00 55.97 54.19 2bub s LYS 250 Cb -0.34 -2.60 -0.02 0.00 -1.05 0.00 0.00 37.83 33.82 2bub s LYS 250 CO 0.42 0.15 -0.00 0.99 1.55 0.00 0.00 175.35 178.46 2bub s THR 251 N -2.19 3.82 -0.17 3.43 2.01 -1.26 0.21 115.64 121.49 2bub s THR 251 Ca 0.44 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 2bub s THR 251 Cb -0.10 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2bub s THR 251 CO 0.32 0.41 0.24 -0.69 -0.69 0.00 0.00 174.62 174.22 2bub s VAL 252 N 1.22 5.34 -0.03 3.82 1.01 0.16 -4.94 120.40 126.97 2bub s VAL 252 Ca 0.03 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2bub s VAL 252 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2bub s VAL 252 CO 0.01 0.41 -0.21 -0.13 0.00 0.00 0.00 175.10 175.19 2bub s ARG 253 N 0.36 1.90 -0.08 2.72 0.52 -1.26 -1.27 118.95 121.84 2bub s ARG 253 Ca 0.14 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.58 2bub s ARG 253 Cb -0.12 -1.72 0.04 0.00 0.52 0.00 0.00 34.95 33.67 2bub s ARG 253 CO 0.02 0.37 0.15 0.08 0.02 0.00 0.00 175.30 175.95 2bub s VAL 254 N -0.26 -0.21 -0.30 3.52 1.01 -0.41 -4.94 120.40 118.81 2bub s VAL 254 Ca 0.02 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 2bub s VAL 254 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2bub s VAL 254 CO 0.01 0.13 2.05 -2.84 0.00 0.00 0.00 175.10 174.46 2bub s PRO 255 N 2.01 3.10 -0.22 2.72 0.02 -1.26 -1.28 135.00 140.08 2bub s PRO 255 Ca 0.00 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.66 2bub s PRO 255 Cb -0.12 -4.32 0.10 0.00 0.02 0.00 0.00 34.50 30.18 2bub s PRO 255 CO -0.06 -2.14 0.22 -0.47 -0.33 0.00 0.00 177.00 174.22 2bub s TYR 256 N 8.13 -0.22 -0.20 6.54 6.14 -0.84 -4.53 117.35 132.36 2bub s TYR 256 Ca 0.91 0.02 -0.28 0.00 0.64 0.00 0.00 57.07 58.36 2bub s TYR 256 Cb -0.26 -0.45 0.00 0.00 0.42 0.00 0.00 41.96 41.67 2bub s TYR 256 CO 0.33 -0.67 0.99 -1.25 0.64 0.00 0.00 175.55 175.59 2bub s PRO 257 N 2.30 4.28 0.70 4.97 0.04 -1.26 -4.54 135.00 141.49 2bub s PRO 257 Ca 0.07 1.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2bub s PRO 257 Cb -0.15 -3.62 0.05 0.00 0.04 0.00 0.00 34.50 30.82 2bub s PRO 257 CO -0.17 -0.53 1.03 0.15 0.04 0.00 0.00 177.00 177.51 2bub s LYS 258 N 2.85 2.30 -0.17 4.56 -0.14 -1.26 -2.05 119.74 125.83 2bub s LYS 258 Ca 0.43 -0.12 -0.41 0.00 -1.36 0.00 0.00 55.97 54.51 2bub s LYS 258 Cb -0.16 -2.14 -0.18 0.00 -1.68 0.00 0.00 37.83 33.67 2bub s LYS 258 CO 0.09 -1.20 1.42 0.00 -0.76 0.00 0.00 175.35 174.90 2bub n ALA 259 N -2.94 -1.63 0.00 5.17 0.00 0.49 -1.43 120.51 120.17 2bub n ALA 259 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2bub n ALA 259 Cb 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2bub n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bub n GLY 260 N 2.99 3.35 3.80 0.00 0.00 -1.26 -4.90 105.19 109.17 2bub n GLY 260 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2bub n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bub s ALA 261 N -2.89 1.84 0.30 4.61 0.00 -0.52 -4.95 121.76 120.15 2bub s ALA 261 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2bub s ALA 261 Cb 0.00 -2.96 -0.12 0.00 0.00 0.00 0.00 23.12 20.04 2bub s ALA 261 CO 0.00 -2.38 1.57 0.28 0.00 0.00 0.00 175.76 175.23 2bub n VAL 262 N -3.82 1.18 -4.02 0.00 0.31 -1.26 -4.92 118.33 105.80 2bub n VAL 262 Ca 0.09 -0.29 -0.24 0.00 -0.01 0.00 0.00 64.34 63.89 2bub n VAL 262 Cb 0.60 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 2bub n VAL 262 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2bub s ASN 263 N 0.39 6.00 0.33 4.52 0.02 -1.26 -4.63 114.94 120.31 2bub s ASN 263 Ca 0.62 -0.01 -0.29 0.00 -1.02 0.00 0.00 52.86 52.17 2bub s ASN 263 Cb -0.50 -1.69 -0.10 0.00 0.02 0.00 0.00 41.25 38.97 2bub s ASN 263 CO 0.51 -0.00 1.37 -2.16 0.02 0.00 0.00 177.10 176.83 2bub s PRO 264 N -3.58 4.29 0.69 -0.60 0.04 -1.26 -4.80 135.00 129.77 2bub s PRO 264 Ca 0.33 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.67 2bub s PRO 264 Cb -0.09 -3.05 0.10 0.00 0.04 0.00 0.00 34.50 31.49 2bub s PRO 264 CO 0.27 -0.30 0.96 0.95 0.04 0.00 0.00 177.00 178.92 2bub s THR 265 N -0.99 2.29 0.17 1.26 -4.23 -0.91 -4.88 115.64 108.33 2bub s THR 265 Ca 0.51 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 60.48 2bub s THR 265 Cb -0.42 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2bub s THR 265 CO 0.54 0.00 0.11 0.54 -0.54 0.00 0.00 174.62 175.27 2bub s VAL 266 N -3.10 0.05 -0.28 2.29 0.11 -1.26 -1.56 120.40 116.65 2bub s VAL 266 Ca 0.63 -1.91 -0.22 0.00 -2.93 0.00 0.00 61.98 57.55 2bub s VAL 266 Cb -0.07 -2.24 0.11 0.00 -1.53 0.00 0.00 36.38 32.64 2bub s VAL 266 CO 0.43 -0.24 0.90 -0.75 -3.33 0.00 0.00 175.10 172.11 2bub s LYS 267 N -4.09 0.59 -0.02 1.54 2.20 -0.22 -4.94 119.74 114.78 2bub s LYS 267 Ca 0.30 0.80 0.05 0.00 -0.36 0.00 0.00 55.97 56.76 2bub s LYS 267 Cb 0.07 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2bub s LYS 267 CO 0.06 -0.09 -0.18 0.12 -0.36 0.00 0.00 175.35 174.91 2bub s PHE 268 N 0.69 1.68 0.23 4.03 5.36 -1.26 -1.22 117.98 127.49 2bub s PHE 268 Ca -0.02 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.54 2bub s PHE 268 Cb -0.05 -1.10 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2bub s PHE 268 CO -0.08 -0.08 0.26 -0.06 -1.46 0.00 0.00 175.22 173.80 2bub s PHE 269 N -0.27 0.97 -0.20 10.12 0.40 -0.53 -0.13 117.98 128.34 2bub s PHE 269 Ca 0.03 -1.21 -0.09 0.00 -0.60 0.00 0.00 56.93 55.07 2bub s PHE 269 Cb -0.09 -0.32 0.08 0.00 0.51 0.00 0.00 43.02 43.20 2bub s PHE 269 CO 0.00 -0.79 0.46 0.08 0.70 0.00 0.00 175.22 175.67 2bub s VAL 270 N -3.99 -0.42 -0.12 -0.44 1.01 0.27 -1.58 120.40 115.13 2bub s VAL 270 Ca 0.34 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2bub s VAL 270 Cb 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2bub s VAL 270 CO 0.13 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.44 2bub s VAL 271 N 2.17 2.88 -0.25 2.92 1.01 0.37 -1.42 120.40 128.07 2bub s VAL 271 Ca -0.05 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2bub s VAL 271 Cb -0.10 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2bub s VAL 271 CO -0.14 0.54 1.02 0.21 0.00 0.00 0.00 175.10 176.73 2bub s ASN 272 N 0.23 7.04 -0.02 3.32 3.84 -1.26 -1.62 114.94 126.46 2bub s ASN 272 Ca -0.10 1.27 0.21 0.00 0.21 0.00 0.00 52.86 54.46 2bub s ASN 272 Cb -0.16 -2.53 -0.30 0.00 -0.55 0.00 0.00 41.25 37.72 2bub s ASN 272 CO 0.06 -0.70 0.62 0.41 -2.79 0.00 0.00 177.10 174.69 2bub n THR 273 N 5.43 0.00 -0.44 -5.21 -1.04 -0.01 -3.47 114.28 109.54 2bub n THR 273 Ca 0.11 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.05 61.78 2bub n THR 273 Cb 0.46 0.34 0.25 0.00 -1.82 0.00 0.00 70.33 69.57 2bub n THR 273 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2bub n ASP 274 N -1.99 4.19 0.00 8.00 8.00 -1.25 -3.82 116.55 129.68 2bub n ASP 274 Ca -0.01 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.67 2bub n ASP 274 Cb 0.48 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 2bub n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2bub n SER 275 N 0.12 0.10 -3.38 -2.24 3.41 -1.23 -5.10 113.62 105.30 2bub n SER 275 Ca 0.27 -1.04 -0.31 0.00 -0.26 0.00 0.00 58.87 57.53 2bub n SER 275 Cb 1.06 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 65.29 2bub n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bub s LEU 276 N -0.04 -0.94 0.00 1.04 1.43 -1.25 -5.05 118.68 113.87 2bub s LEU 276 Ca 0.00 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 2bub s LEU 276 Cb 0.00 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2bub s LEU 276 CO 0.00 -5.26 0.00 -1.54 0.23 0.00 0.00 176.35 169.78 2bub n SER 277 N -5.55 0.00 0.04 2.29 3.41 -1.26 -5.07 113.62 107.47 2bub n SER 277 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 2bub n SER 277 Cb 0.60 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.71 2bub n SER 277 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bub n SER 278 N 0.00 0.63 0.12 4.04 3.41 -1.26 -4.11 113.62 116.44 2bub n SER 278 Ca 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 2bub n SER 278 Cb 0.00 0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2bub n SER 278 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2bub h VAL 279 N 0.00 0.00 -4.37 -3.33 2.07 -2.04 -3.46 116.25 105.12 2bub h VAL 279 Ca 0.00 -0.36 -0.50 0.00 0.82 0.00 0.00 66.70 66.66 2bub h VAL 279 Cb 0.68 0.00 0.08 0.00 -1.52 0.00 0.00 31.29 30.52 2bub h VAL 279 CO 0.00 0.00 0.40 -0.89 0.02 0.00 0.00 177.57 177.10 2bub s THR 280 N -2.80 4.14 0.56 2.57 2.01 -1.26 -5.11 115.64 115.75 2bub s THR 280 Ca -0.05 0.69 0.09 0.00 0.31 0.00 0.00 61.69 62.73 2bub s THR 280 Cb 0.01 -3.60 0.08 0.00 0.01 0.00 0.00 72.50 68.99 2bub s THR 280 CO 0.15 -0.91 0.72 0.54 -0.69 0.00 0.00 174.62 174.44 2bub s ASN 281 N -4.10 5.04 0.06 3.53 2.20 -1.26 -4.65 114.94 115.75 2bub s ASN 281 Ca 0.57 -0.90 -0.28 0.00 -0.94 0.00 0.00 52.86 51.31 2bub s ASN 281 Cb -0.12 0.28 -0.05 0.00 -2.00 0.00 0.00 41.25 39.36 2bub s ASN 281 CO 0.54 -1.28 0.88 0.00 -2.94 0.00 0.00 177.10 174.30 2bub s ALA 282 N -2.67 3.28 -0.80 3.54 0.00 -1.26 -5.00 121.76 118.84 2bub s ALA 282 Ca 0.57 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2bub s ALA 282 Cb -0.05 -3.17 0.21 0.00 0.00 0.00 0.00 23.12 20.11 2bub s ALA 282 CO 0.36 -0.04 0.72 0.99 0.00 0.00 0.00 175.76 177.79 2bub s THR 283 N 0.22 5.33 0.50 0.00 2.01 -1.26 -5.01 115.64 117.42 2bub s THR 283 Ca 0.44 -2.55 -0.23 0.00 0.31 0.00 0.00 61.69 59.66 2bub s THR 283 Cb -0.22 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 2bub s THR 283 CO 0.26 -1.01 1.31 -0.44 -0.69 0.00 0.00 174.62 174.05 2bub s SER 284 N 1.93 5.70 -0.08 3.53 0.01 -1.26 -4.68 113.70 118.85 2bub s SER 284 Ca 0.18 2.64 -0.07 0.00 1.31 0.00 0.00 55.95 60.02 2bub s SER 284 Cb -0.12 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2bub s SER 284 CO -0.08 -1.27 0.18 -0.63 0.41 0.00 0.00 173.24 171.85 2bub s ILE 285 N -1.35 5.45 -0.21 1.44 -1.09 -0.51 -4.90 121.20 120.02 2bub s ILE 285 Ca 0.66 0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 59.17 2bub s ILE 285 Cb -0.37 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2bub s ILE 285 CO 0.45 0.53 0.10 -1.58 -1.23 0.00 0.00 174.94 173.22 2bub s GLN 286 N -1.28 3.96 -0.40 2.79 0.74 -1.26 -0.57 119.66 123.63 2bub s GLN 286 Ca 0.19 -0.34 -0.16 0.00 0.05 0.00 0.00 55.36 55.11 2bub s GLN 286 Cb -0.13 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.65 2bub s GLN 286 CO 0.09 0.12 0.35 0.42 -0.55 0.00 0.00 175.29 175.71 2bub s ILE 287 N 0.84 5.19 0.40 -2.34 1.01 0.81 -4.96 121.20 122.16 2bub s ILE 287 Ca 0.05 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 2bub s ILE 287 Cb -0.13 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2bub s ILE 287 CO 0.02 -0.31 0.96 0.42 0.00 0.00 0.00 174.94 176.04 2bub s THR 288 N 1.88 4.28 0.92 2.92 -4.23 -1.26 -4.25 115.64 115.89 2bub s THR 288 Ca 0.08 1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 62.03 2bub s THR 288 Cb -0.18 -3.70 0.14 0.00 1.34 0.00 0.00 72.50 70.10 2bub s THR 288 CO 0.11 -0.18 1.09 0.00 -0.54 0.00 0.00 174.62 175.10 2bub s ALA 289 N -2.00 1.42 0.98 3.99 0.00 -1.26 -5.00 121.76 119.89 2bub s ALA 289 Ca 0.59 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 2bub s ALA 289 Cb -0.12 -3.19 0.18 0.00 0.00 0.00 0.00 23.12 19.99 2bub s ALA 289 CO 0.17 -2.45 1.09 -2.14 0.00 0.00 0.00 175.76 172.42 2bub s PRO 290 N -4.92 0.56 0.16 0.00 0.02 -1.26 -4.85 135.00 124.71 2bub s PRO 290 Ca 0.64 1.01 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 2bub s PRO 290 Cb -0.18 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.66 2bub s PRO 290 CO 0.57 -2.77 1.60 0.00 -0.33 0.00 0.00 177.00 176.07 2bub h ALA 291 N -1.94 0.73 0.00 -1.55 0.00 -1.99 -2.69 119.26 111.80 2bub h ALA 291 Ca -0.51 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2bub h ALA 291 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bub h ALA 291 CO 0.50 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 179.21 2bub n SER 292 N -4.23 0.00 -0.07 0.00 3.41 -1.26 -2.58 113.62 108.89 2bub n SER 292 Ca 0.01 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 2bub n SER 292 Cb 0.36 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 2bub n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2bub n MET 293 N -0.87 0.85 0.00 4.33 2.00 -1.10 -4.57 117.12 117.76 2bub n MET 293 Ca 0.12 0.06 0.03 0.00 0.00 0.00 0.00 57.70 57.91 2bub n MET 293 Cb 0.05 -1.31 0.16 0.00 0.00 0.00 0.00 33.22 32.12 2bub n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2bub n LEU 294 N -2.81 0.00 0.11 4.03 4.32 -1.04 -2.74 117.00 118.86 2bub n LEU 294 Ca -0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.72 2bub n LEU 294 Cb 0.82 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.61 2bub n LEU 294 CO 0.19 0.00 0.33 0.40 -1.22 0.00 0.00 177.39 177.09 2bub h ILE 295 N 0.00 1.30 -1.79 -0.08 2.04 -1.81 -3.48 117.51 113.69 2bub h ILE 295 Ca 0.00 -2.73 0.06 0.00 1.00 0.00 0.00 64.86 63.18 2bub h ILE 295 Cb 0.00 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2bub h ILE 295 CO 0.00 0.72 0.19 0.61 0.00 0.00 0.00 178.15 179.67 2bub n GLY 296 N 1.16 0.99 3.71 5.37 0.00 -1.11 -5.15 105.19 110.16 2bub n GLY 296 Ca 0.01 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 2bub n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bub n ASP 297 N -0.72 2.00 -3.16 1.61 8.00 -1.26 -4.82 116.55 118.19 2bub n ASP 297 Ca -0.00 0.88 -0.08 0.00 0.71 0.00 0.00 54.79 56.30 2bub n ASP 297 Cb 0.17 -1.53 0.01 0.00 -0.02 0.00 0.00 41.12 39.76 2bub n ASP 297 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2bub s HIS 298 N -1.38 0.05 0.05 1.24 -3.43 -1.26 0.31 115.29 110.88 2bub s HIS 298 Ca 0.78 -0.65 0.01 0.00 -0.80 0.00 0.00 55.06 54.39 2bub s HIS 298 Cb -0.40 0.80 -0.03 0.00 -1.43 0.00 0.00 32.58 31.51 2bub s HIS 298 CO 0.45 -1.41 -0.05 0.71 -2.00 0.00 0.00 174.74 172.44 2bub s TYR 299 N -2.58 0.56 0.14 0.38 2.02 -0.72 -4.85 117.35 112.29 2bub s TYR 299 Ca 0.15 -0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 55.82 2bub s TYR 299 Cb -0.05 -0.36 -0.07 0.00 -0.40 0.00 0.00 41.96 41.08 2bub s TYR 299 CO 0.10 -0.20 1.21 -1.17 -1.57 0.00 0.00 175.55 173.92 2bub s LEU 300 N -2.17 4.42 0.00 -1.29 0.20 -1.26 -2.11 118.68 116.47 2bub s LEU 300 Ca -0.03 2.16 0.00 0.00 0.69 0.00 0.00 54.13 56.95 2bub s LEU 300 Cb -0.02 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2bub s LEU 300 CO -0.04 -0.42 0.00 0.00 -0.29 0.00 0.00 176.35 175.60 2bub s ASP 302 N -0.99 -0.01 -0.07 0.00 2.15 -1.24 -4.92 116.67 111.60 2bub s ASP 302 Ca 0.00 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.86 2bub s ASP 302 Cb 0.00 0.23 0.04 0.00 -0.30 0.00 0.00 42.92 42.89 2bub s ASP 302 CO 0.00 -0.29 0.14 -0.69 -0.17 0.00 0.00 175.17 174.17 2bub s VAL 303 N -1.03 -0.09 -0.25 1.11 1.01 -1.26 -2.41 120.40 117.48 2bub s VAL 303 Ca -0.11 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2bub s VAL 303 Cb -0.06 -0.25 0.13 0.00 0.00 0.00 0.00 36.38 36.20 2bub s VAL 303 CO 0.01 0.09 0.32 -0.89 0.00 0.00 0.00 175.10 174.63 2bub s THR 304 N 1.40 -0.48 0.71 3.92 2.01 -0.51 -5.04 115.64 117.64 2bub s THR 304 Ca -0.07 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 2bub s THR 304 Cb -0.12 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.57 2bub s THR 304 CO -0.06 -0.26 1.19 0.26 -0.69 0.00 0.00 174.62 175.06 2bub s TRP 305 N 2.44 2.18 -0.05 4.92 0.52 -1.26 -1.75 118.94 125.94 2bub s TRP 305 Ca 0.10 1.59 0.02 0.00 0.02 0.00 0.00 56.10 57.82 2bub s TRP 305 Cb -0.15 -3.41 -0.05 0.00 -1.15 0.00 0.00 33.47 28.71 2bub s TRP 305 CO -0.22 -2.40 -0.03 0.00 0.02 0.00 0.00 176.95 174.33 2bub n ALA 306 N -2.58 1.88 -3.41 0.98 0.00 0.35 -4.79 120.51 112.94 2bub n ALA 306 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 2bub n ALA 306 Cb 0.50 0.28 -0.00 0.00 0.00 0.00 0.00 19.45 20.23 2bub n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bub n THR 307 N -2.48 0.00 0.17 0.00 -2.24 -0.85 -4.66 114.28 104.21 2bub n THR 307 Ca -0.09 -0.63 0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2bub n THR 307 Cb 0.63 0.47 0.46 0.00 -2.10 0.00 0.00 70.33 69.79 2bub n THR 307 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bub n GLN 308 N -0.25 0.11 -1.55 -0.78 1.13 -1.26 -3.31 117.38 111.48 2bub n GLN 308 Ca -0.02 0.60 -0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2bub n GLN 308 Cb 0.26 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.56 2bub n GLN 308 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2bub n GLU 309 N -2.16 0.27 -3.36 -1.09 1.02 -1.26 -4.89 120.64 109.17 2bub n GLU 309 Ca -0.01 -1.78 0.02 0.00 -0.02 0.00 0.00 57.16 55.37 2bub n GLU 309 Cb 0.21 0.03 -0.03 0.00 -0.02 0.00 0.00 31.44 31.62 2bub n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2bub s ARG 310 N -0.38 0.49 0.05 3.49 3.52 -1.21 -2.52 118.95 122.38 2bub s ARG 310 Ca 0.21 1.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.86 2bub s ARG 310 Cb 0.26 0.61 -0.04 0.00 -1.56 0.00 0.00 34.95 34.22 2bub s ARG 310 CO -0.10 -0.34 0.14 0.96 -0.81 0.00 0.00 175.30 175.15 2bub s ILE 311 N 2.82 4.99 -0.15 4.11 -4.36 0.71 -0.49 121.20 128.83 2bub s ILE 311 Ca 0.05 -0.49 0.02 0.00 -0.26 0.00 0.00 60.65 59.97 2bub s ILE 311 Cb -0.12 -3.38 0.01 0.00 1.25 0.00 0.00 42.46 40.22 2bub s ILE 311 CO -0.19 0.20 -0.21 -0.55 0.24 0.00 0.00 174.94 174.44 2bub s SER 312 N -2.25 3.05 0.04 4.36 0.15 -0.72 -1.31 113.70 117.03 2bub s SER 312 Ca 0.30 -0.60 0.05 0.00 0.70 0.00 0.00 55.95 56.40 2bub s SER 312 Cb -0.12 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 62.74 2bub s SER 312 CO 0.22 0.05 -0.15 -0.76 1.20 0.00 0.00 173.24 173.80 2bub s LEU 313 N 0.98 2.18 0.08 3.45 1.43 -0.55 -1.43 118.68 124.82 2bub s LEU 313 Ca -0.03 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2bub s LEU 313 Cb -0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 2bub s LEU 313 CO -0.05 0.05 0.01 -1.10 0.23 0.00 0.00 176.35 175.48 2bub s GLN 314 N -1.22 2.59 0.33 1.70 -0.21 -1.01 -0.20 119.66 121.64 2bub s GLN 314 Ca 0.02 -0.81 0.07 0.00 0.02 0.00 0.00 55.36 54.67 2bub s GLN 314 Cb -0.08 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 2bub s GLN 314 CO 0.02 0.55 -0.04 -1.58 -2.12 0.00 0.00 175.29 172.11 2bub s TRP 315 N -1.30 2.19 -0.18 0.91 0.52 0.15 -1.54 118.94 119.70 2bub s TRP 315 Ca 0.26 -0.67 -0.04 0.00 0.02 0.00 0.00 56.10 55.66 2bub s TRP 315 Cb -0.12 -1.34 0.09 0.00 -1.15 0.00 0.00 33.47 30.96 2bub s TRP 315 CO 0.18 0.37 0.30 -1.17 0.02 0.00 0.00 176.95 176.65 2bub s LEU 316 N -3.55 -0.38 0.89 2.99 0.20 -0.90 -0.26 118.68 117.67 2bub s LEU 316 Ca 0.32 0.39 -0.14 0.00 0.69 0.00 0.00 54.13 55.40 2bub s LEU 316 Cb 0.05 0.81 0.02 0.00 -0.43 0.00 0.00 46.19 46.64 2bub s LEU 316 CO 0.15 -0.27 0.49 0.54 -0.29 0.00 0.00 176.35 176.97 2bub n ARG 317 N 5.35 -0.12 0.29 1.98 1.74 -0.97 -1.76 116.66 123.18 2bub n ARG 317 Ca -0.06 0.01 0.19 0.00 -0.77 0.00 0.00 57.85 57.22 2bub n ARG 317 Cb 0.50 -1.89 0.83 0.00 -1.02 0.00 0.00 32.46 30.88 2bub n ARG 317 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2bub h ARG 318 N -1.23 0.00 -5.55 5.56 2.43 -0.46 -3.25 114.38 111.88 2bub h ARG 318 Ca -0.44 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.13 2bub h ARG 318 Cb 1.30 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.74 2bub h ARG 318 CO 0.37 0.01 0.07 0.42 -1.51 0.00 0.00 179.97 179.33 2bub s ILE 319 N -3.82 5.04 -0.61 1.20 1.09 -1.26 -4.91 121.20 117.93 2bub s ILE 319 Ca -0.01 1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 60.61 2bub s ILE 319 Cb 0.10 -3.90 0.48 0.00 -1.06 0.00 0.00 42.46 38.08 2bub s ILE 319 CO 0.51 0.10 1.95 0.00 -0.10 0.00 0.00 174.94 177.41 2bub n GLN 320 N 5.20 2.68 -0.46 2.79 6.02 -1.23 -4.14 117.38 128.24 2bub n GLN 320 Ca -0.02 -3.31 0.09 0.00 -0.01 0.00 0.00 57.00 53.74 2bub n GLN 320 Cb 0.50 -2.27 0.30 0.00 1.02 0.00 0.00 30.24 29.80 2bub n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2bub n ASN 321 N -0.94 4.17 -3.67 1.08 0.23 -1.26 -1.79 115.26 113.09 2bub n ASN 321 Ca 0.61 -2.31 -0.09 0.00 -0.53 0.00 0.00 54.58 52.26 2bub n ASN 321 Cb 0.82 -0.49 -0.09 0.00 -2.08 0.00 0.00 39.78 37.94 2bub n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2bub s TYR 322 N -1.57 -0.84 -0.01 -2.53 6.14 -1.26 -0.33 117.35 116.95 2bub s TYR 322 Ca 0.45 1.74 -0.26 0.00 0.64 0.00 0.00 57.07 59.64 2bub s TYR 322 Cb 0.28 0.45 0.06 0.00 0.42 0.00 0.00 41.96 43.17 2bub s TYR 322 CO 0.24 -0.44 0.57 -1.54 0.64 0.00 0.00 175.55 175.03 2bub s SER 323 N 1.44 -0.52 -0.04 4.32 1.04 -1.09 -2.30 113.70 116.54 2bub s SER 323 Ca -0.09 0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.81 2bub s SER 323 Cb -0.06 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 2bub s SER 323 CO -0.15 -0.64 -0.16 -0.69 0.98 0.00 0.00 173.24 172.58 2bub s VAL 324 N -1.70 1.37 -0.08 5.02 1.01 0.64 -1.29 120.40 125.36 2bub s VAL 324 Ca -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2bub s VAL 324 Cb -0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2bub s VAL 324 CO 0.05 0.40 0.02 -0.32 0.00 0.00 0.00 175.10 175.24 2bub s MET 325 N 0.06 3.04 -0.03 2.72 1.75 -0.14 0.35 119.30 127.05 2bub s MET 325 Ca -0.04 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 2bub s MET 325 Cb -0.11 -2.84 0.01 0.00 2.84 0.00 0.00 34.83 34.72 2bub s MET 325 CO 0.02 0.71 -0.08 0.34 -0.65 0.00 0.00 175.02 175.36 2bub s ASP 326 N -0.95 1.07 -0.19 1.11 2.15 0.72 -1.21 116.67 119.37 2bub s ASP 326 Ca 0.14 -0.16 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 2bub s ASP 326 Cb -0.11 -0.31 -0.01 0.00 -0.30 0.00 0.00 42.92 42.18 2bub s ASP 326 CO 0.03 0.04 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.38 2bub s ILE 327 N 0.29 3.31 -0.07 4.11 1.01 -1.26 -1.49 121.20 127.09 2bub s ILE 327 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2bub s ILE 327 Cb -0.09 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2bub s ILE 327 CO 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 174.94 175.34 2bub s ASP 329 N 1.29 4.80 0.11 0.00 1.01 -1.04 -0.21 116.67 122.63 2bub s ASP 329 Ca -0.04 -0.07 -0.31 0.00 0.71 0.00 0.00 52.55 52.84 2bub s ASP 329 Cb -0.14 -1.18 -0.10 0.00 1.01 0.00 0.00 42.92 42.51 2bub s ASP 329 CO -0.03 0.30 1.86 -0.47 0.21 0.00 0.00 175.17 177.04 2bub s TYR 330 N -0.99 1.97 -0.74 4.23 5.04 -1.05 -2.06 117.35 123.75 2bub s TYR 330 Ca 0.17 -0.12 -0.25 0.00 -2.44 0.00 0.00 57.07 54.44 2bub s TYR 330 Cb -0.11 -4.20 0.05 0.00 0.35 0.00 0.00 41.96 38.05 2bub s TYR 330 CO 0.07 -5.03 1.16 0.34 -1.34 0.00 0.00 175.55 170.76 2bub s ASP 331 N 3.06 6.21 0.31 4.32 -1.08 0.74 -4.90 116.67 125.33 2bub s ASP 331 Ca 0.83 -0.82 0.07 0.00 -0.52 0.00 0.00 52.55 52.11 2bub s ASP 331 Cb -0.45 -2.50 0.89 0.00 -1.46 0.00 0.00 42.92 39.40 2bub s ASP 331 CO 0.37 -1.62 1.50 1.21 0.52 0.00 0.00 175.17 177.15 2bub n GLU 332 N 8.55 -0.07 0.04 4.34 2.13 -1.26 -0.41 120.64 133.96 2bub n GLU 332 Ca 0.04 1.40 -0.06 0.00 0.66 0.00 0.00 57.16 59.19 2bub n GLU 332 Cb 0.48 -2.30 -0.11 0.00 0.27 0.00 0.00 31.44 29.77 2bub n GLU 332 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2bub h SER 333 N 0.00 0.00 0.07 4.31 4.64 -1.96 -3.35 113.55 117.25 2bub h SER 333 Ca 0.65 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.92 2bub h SER 333 Cb 1.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2bub h SER 333 CO -0.85 0.93 -1.98 -0.24 -0.87 0.00 0.00 176.83 173.82 2bub n SER 334 N -3.22 0.06 -0.03 4.97 2.88 -0.63 -4.97 113.62 112.69 2bub n SER 334 Ca -0.05 0.02 -0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2bub n SER 334 Cb 0.95 1.76 -0.00 0.00 -0.75 0.00 0.00 64.21 66.17 2bub n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bub n GLY 335 N 1.32 0.37 3.99 0.46 0.00 0.45 -5.02 105.19 106.76 2bub n GLY 335 Ca -0.07 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2bub n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bub s ARG 336 N -0.71 2.15 -0.01 1.61 0.52 -1.25 -4.87 118.95 116.39 2bub s ARG 336 Ca 0.00 -1.10 0.06 0.00 -0.52 0.00 0.00 55.73 54.17 2bub s ARG 336 Cb 0.00 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.99 2bub s ARG 336 CO 0.00 -1.02 -0.18 -1.58 0.02 0.00 0.00 175.30 172.54 2bub s TRP 337 N -2.88 1.64 -0.01 -0.53 0.52 -1.26 -0.19 118.94 116.24 2bub s TRP 337 Ca 0.62 -0.32 0.07 0.00 0.02 0.00 0.00 56.10 56.49 2bub s TRP 337 Cb -0.07 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 2bub s TRP 337 CO 0.41 -0.01 -0.23 -0.80 0.02 0.00 0.00 176.95 176.34 2bub s ASN 338 N -0.52 2.66 -0.48 2.95 0.01 -0.87 -4.95 114.94 113.74 2bub s ASN 338 Ca 0.07 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 2bub s ASN 338 Cb -0.07 -0.28 0.12 0.00 0.41 0.00 0.00 41.25 41.43 2bub s ASN 338 CO -0.00 0.26 0.22 0.00 -1.51 0.00 0.00 177.10 176.07 2bub s LEU 340 N -0.01 4.38 0.57 0.00 1.02 -1.26 -4.89 118.68 118.49 2bub s LEU 340 Ca 0.16 2.45 0.34 0.00 0.02 0.00 0.00 54.13 57.10 2bub s LEU 340 Cb -0.25 -3.60 1.42 0.00 0.02 0.00 0.00 46.19 43.79 2bub s LEU 340 CO -0.02 -0.67 1.69 -0.37 0.02 0.00 0.00 176.35 177.00 2bub h VAL 341 N 4.01 0.25 -0.68 -1.59 -1.51 -1.96 0.40 116.25 115.16 2bub h VAL 341 Ca -0.43 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.10 2bub h VAL 341 Cb 1.21 0.32 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 2bub h VAL 341 CO 0.84 0.00 0.45 0.00 -1.23 0.00 0.00 177.57 177.63 2bub h ALA 342 N 1.18 1.74 0.00 5.19 0.00 -1.96 -2.51 119.26 122.90 2bub h ALA 342 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2bub h ALA 342 Cb 2.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2bub h ALA 342 CO -0.01 0.15 -0.74 0.00 0.00 0.00 0.00 179.25 178.65 2bub h ARG 343 N 0.70 0.00 -6.45 0.00 2.47 -1.16 -3.43 114.38 106.50 2bub h ARG 343 Ca 0.29 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.40 2bub h ARG 343 Cb 0.26 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.65 2bub h ARG 343 CO -0.09 0.00 0.56 1.04 0.56 0.00 0.00 179.97 182.03 2bub n GLN 344 N -2.45 1.71 -3.92 0.04 6.02 -0.95 -4.60 117.38 113.23 2bub n GLN 344 Ca 0.02 0.61 -0.27 0.00 -0.01 0.00 0.00 57.00 57.35 2bub n GLN 344 Cb 0.50 -2.26 -0.17 0.00 1.02 0.00 0.00 30.24 29.33 2bub n GLN 344 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2bub s HIS 345 N 0.28 1.57 0.52 1.08 3.76 -0.35 -4.96 115.29 117.19 2bub s HIS 345 Ca 0.75 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 2bub s HIS 345 Cb -0.76 -1.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 2bub s HIS 345 CO 0.46 -0.54 0.95 0.42 -0.85 0.00 0.00 174.74 175.18 2bub s ILE 346 N 1.68 4.65 -0.27 0.60 1.09 -1.26 -0.97 121.20 126.72 2bub s ILE 346 Ca 0.05 0.96 -0.00 0.00 -1.10 0.00 0.00 60.65 60.56 2bub s ILE 346 Cb -0.13 -3.77 0.14 0.00 -1.06 0.00 0.00 42.46 37.65 2bub s ILE 346 CO -0.08 -0.79 0.37 -0.70 -0.10 0.00 0.00 174.94 173.64 2bub s GLU 347 N -4.36 0.37 0.30 2.79 2.12 -0.41 -4.95 118.70 114.56 2bub s GLU 347 Ca 0.56 0.26 0.08 0.00 0.36 0.00 0.00 54.97 56.22 2bub s GLU 347 Cb -0.10 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 2bub s GLU 347 CO 0.38 -0.86 0.18 -1.64 -0.54 0.00 0.00 175.26 172.78 2bub s MET 348 N 2.51 2.66 -0.03 4.30 -1.94 -1.26 -2.67 119.30 122.88 2bub s MET 348 Ca 0.11 -1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 2bub s MET 348 Cb -0.14 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.32 2bub s MET 348 CO -0.24 0.25 0.06 0.45 -0.01 0.00 0.00 175.02 175.53 2bub s SER 349 N -3.86 -0.01 0.00 3.03 0.15 0.56 -4.94 113.70 108.62 2bub s SER 349 Ca 0.36 0.12 0.14 0.00 0.70 0.00 0.00 55.95 57.27 2bub s SER 349 Cb -0.06 0.05 -0.09 0.00 -1.71 0.00 0.00 66.02 64.21 2bub s SER 349 CO 0.24 -0.10 0.67 0.35 1.20 0.00 0.00 173.24 175.61 2bub n THR 350 N 3.80 0.00 -0.03 6.45 -2.24 -1.26 -4.49 114.28 116.52 2bub n THR 350 Ca -0.22 -0.24 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 2bub n THR 350 Cb 0.54 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 2bub n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bub n THR 351 N -0.86 0.76 0.00 4.28 -2.24 -1.26 -5.06 114.28 109.89 2bub n THR 351 Ca 0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2bub n THR 351 Cb 0.25 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2bub n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bub n GLY 352 N 1.46 1.60 3.98 3.38 0.00 -1.26 -4.92 105.19 109.43 2bub n GLY 352 Ca -0.15 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2bub n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2bub s TRP 353 N 1.41 1.31 -0.19 1.61 -2.14 -1.26 -4.49 118.94 115.18 2bub s TRP 353 Ca 0.00 -0.20 -0.11 0.00 2.66 0.00 0.00 56.10 58.44 2bub s TRP 353 Cb 0.00 -3.33 -0.05 0.00 -3.10 0.00 0.00 33.47 26.99 2bub s TRP 353 CO 0.00 -2.11 0.19 0.08 -2.66 0.00 0.00 176.95 172.44 2bub s VAL 354 N -3.40 5.37 0.35 -0.66 1.01 -0.74 -4.71 120.40 117.62 2bub s VAL 354 Ca 0.70 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2bub s VAL 354 Cb -0.04 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2bub s VAL 354 CO 0.47 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.60 2bub n GLY 355 N 3.55 -2.71 0.00 4.51 0.00 -1.26 -3.65 105.19 105.62 2bub n GLY 355 Ca -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2bub n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bub n ARG 356 N -3.58 0.00 0.00 1.61 1.74 -1.26 -3.69 116.66 111.48 2bub n ARG 356 Ca -0.04 0.26 0.09 0.00 -0.77 0.00 0.00 57.85 57.40 2bub n ARG 356 Cb 0.43 -1.08 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 2bub n ARG 356 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bub n PHE 357 N -0.96 0.00 0.00 -1.55 3.72 -1.26 -4.97 117.46 112.43 2bub n PHE 357 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bub n PHE 357 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2bub n PHE 357 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2bub n ARG 358 N -0.14 0.00 -1.71 -1.08 1.85 -1.24 -5.06 116.66 109.28 2bub n ARG 358 Ca 0.08 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.50 2bub n ARG 358 Cb 0.40 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.80 2bub n ARG 358 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2bub n PRO 359 N -0.01 2.30 -1.70 2.89 -0.02 -1.24 -4.48 135.00 132.73 2bub n PRO 359 Ca 0.00 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 2bub n PRO 359 Cb 0.00 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.04 2bub n PRO 359 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bub n SER 360 N 1.28 2.24 -4.77 2.55 3.41 -1.26 -4.96 113.62 112.11 2bub n SER 360 Ca 0.06 1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 59.27 2bub n SER 360 Cb 0.36 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.79 2bub n SER 360 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2bub s GLU 361 N -2.56 4.28 0.26 4.33 4.04 -1.26 -4.89 118.70 122.90 2bub s GLU 361 Ca 0.68 2.32 -0.18 0.00 0.04 0.00 0.00 54.97 57.83 2bub s GLU 361 Cb -0.46 -3.05 -0.09 0.00 0.02 0.00 0.00 34.13 30.56 2bub s GLU 361 CO 0.53 -0.31 0.73 -1.25 -1.84 0.00 0.00 175.26 173.12 2bub s PRO 362 N -1.70 4.15 -0.13 -4.83 0.04 -1.26 -4.62 135.00 126.64 2bub s PRO 362 Ca 0.51 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.35 2bub s PRO 362 Cb -0.42 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.42 2bub s PRO 362 CO 0.54 0.30 -0.18 -1.01 0.04 0.00 0.00 177.00 176.69 2bub s HIS 363 N -1.71 2.71 0.11 0.56 3.76 -0.27 -4.95 115.29 115.50 2bub s HIS 363 Ca 0.47 -1.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 2bub s HIS 363 Cb -0.14 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 2bub s HIS 363 CO 0.19 -0.45 0.20 -0.06 -0.85 0.00 0.00 174.74 173.78 2bub s PHE 364 N 0.62 3.39 0.31 1.40 0.08 -1.26 0.22 117.98 122.74 2bub s PHE 364 Ca -0.10 0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 2bub s PHE 364 Cb -0.16 -1.66 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2bub s PHE 364 CO 0.03 0.54 0.79 0.95 -0.10 0.00 0.00 175.22 177.43 2bub s THR 365 N -1.62 4.54 0.08 0.64 -4.23 -0.51 -4.92 115.64 109.62 2bub s THR 365 Ca 0.33 1.25 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 2bub s THR 365 Cb -0.12 -3.73 0.11 0.00 1.34 0.00 0.00 72.50 70.10 2bub s THR 365 CO 0.26 -0.05 0.42 -0.11 -0.54 0.00 0.00 174.62 174.60 2bub n LEU 366 N 0.03 -0.03 0.01 4.79 0.00 -1.26 0.13 117.00 120.67 2bub n LEU 366 Ca 0.02 0.45 0.13 0.00 0.00 0.00 0.00 56.01 56.62 2bub n LEU 366 Cb 0.52 -0.17 0.52 0.00 0.00 0.00 0.00 43.42 44.30 2bub n LEU 366 CO 0.41 -0.46 0.84 -0.90 0.00 0.00 0.00 177.39 177.28 2bub n ASP 367 N -4.14 0.17 0.00 1.96 5.68 -1.26 -4.93 116.55 114.03 2bub n ASP 367 Ca 0.06 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 2bub n ASP 367 Cb 0.21 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2bub n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bub n GLY 368 N 1.49 2.81 0.00 6.12 0.00 0.35 -4.87 105.19 111.09 2bub n GLY 368 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 2bub n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bub n ASN 369 N 0.00 0.00 -3.57 1.61 3.02 -1.26 -4.88 115.26 110.19 2bub n ASN 369 Ca 0.00 -0.75 -0.10 0.00 -0.03 0.00 0.00 54.58 53.70 2bub n ASN 369 Cb 0.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 2bub n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bub s SER 370 N -2.11 -0.45 0.26 6.41 1.04 -1.26 -0.73 113.70 116.86 2bub s SER 370 Ca 0.40 -0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.49 2bub s SER 370 Cb 0.20 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2bub s SER 370 CO 0.35 -1.04 0.57 0.72 0.98 0.00 0.00 173.24 174.82 2bub s PHE 371 N -3.72 0.17 0.04 5.02 -0.12 0.13 -1.43 117.98 118.07 2bub s PHE 371 Ca 0.05 -0.56 0.07 0.00 -0.05 0.00 0.00 56.93 56.44 2bub s PHE 371 Cb -0.02 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 2bub s PHE 371 CO -0.06 -1.09 -0.21 0.71 -0.05 0.00 0.00 175.22 174.52 2bub s TYR 372 N -3.97 1.85 -0.28 3.49 1.51 0.13 -0.27 117.35 119.82 2bub s TYR 372 Ca 0.18 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.62 2bub s TYR 372 Cb -0.03 -1.10 0.13 0.00 -0.11 0.00 0.00 41.96 40.85 2bub s TYR 372 CO 0.08 0.09 1.10 0.21 -1.11 0.00 0.00 175.55 175.93 2bub s LYS 373 N -1.18 0.42 0.14 -0.62 2.20 -0.69 -1.12 119.74 118.89 2bub s LYS 373 Ca 0.08 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 2bub s LYS 373 Cb -0.09 0.20 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 2bub s LYS 373 CO 0.02 -0.05 1.03 0.42 -0.36 0.00 0.00 175.35 176.40 2bub s ILE 374 N 0.22 4.21 0.01 5.43 1.01 -1.26 -1.99 121.20 128.83 2bub s ILE 374 Ca 0.04 1.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 2bub s ILE 374 Cb -0.05 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 2bub s ILE 374 CO -0.08 0.30 0.03 -0.63 0.00 0.00 0.00 174.94 174.56 2bub s ILE 375 N -0.10 0.08 0.10 2.92 1.09 -0.00 -4.51 121.20 120.78 2bub s ILE 375 Ca 0.48 -0.67 -0.31 0.00 -1.10 0.00 0.00 60.65 59.05 2bub s ILE 375 Cb -0.26 -0.26 -0.07 0.00 -1.06 0.00 0.00 42.46 40.81 2bub s ILE 375 CO 0.32 -0.37 1.29 -0.55 -0.10 0.00 0.00 174.94 175.53 2bub s SER 376 N -1.14 6.96 0.88 3.58 0.15 -1.26 0.02 113.70 122.90 2bub s SER 376 Ca -0.12 2.18 -0.09 0.00 0.70 0.00 0.00 55.95 58.61 2bub s SER 376 Cb -0.07 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.83 2bub s SER 376 CO -0.00 -0.55 1.15 -0.46 1.20 0.00 0.00 173.24 174.58 2bub n ASN 377 N 3.81 0.61 -0.32 5.45 2.04 -0.03 -4.83 115.26 121.99 2bub n ASN 377 Ca 0.10 -1.74 0.20 0.00 -0.44 0.00 0.00 54.58 52.70 2bub n ASN 377 Cb 0.44 -0.83 0.40 0.00 -2.53 0.00 0.00 39.78 37.26 2bub n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2bub h GLU 378 N 0.00 0.11 0.00 -3.83 5.08 -1.96 0.41 114.58 114.39 2bub h GLU 378 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2bub h GLU 378 Cb 1.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2bub h GLU 378 CO 0.31 0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 2bub n GLU 379 N -5.28 0.60 -0.91 2.33 4.71 -1.26 -4.90 120.64 115.93 2bub n GLU 379 Ca 0.28 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 2bub n GLU 379 Cb 0.91 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 2bub n GLU 379 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bub n GLY 380 N 1.12 0.56 3.84 0.62 0.00 0.14 -4.76 105.19 106.72 2bub n GLY 380 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2bub n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bub s TYR 381 N -2.08 3.58 -0.24 1.61 1.51 -1.26 -0.74 117.35 119.73 2bub s TYR 381 Ca 0.00 0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 56.40 2bub s TYR 381 Cb 0.00 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 2bub s TYR 381 CO 0.00 0.63 0.75 1.03 -1.11 0.00 0.00 175.55 176.85 2bub s ARG 382 N -0.73 4.17 0.10 -0.62 0.52 -1.26 -0.85 118.95 120.28 2bub s ARG 382 Ca 0.15 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 2bub s ARG 382 Cb -0.13 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 2bub s ARG 382 CO 0.04 -0.46 -0.01 -1.01 0.02 0.00 0.00 175.30 173.89 2bub s HIS 383 N 2.64 0.82 -0.66 -0.53 3.76 0.10 -0.82 115.29 120.60 2bub s HIS 383 Ca 0.32 -1.07 -0.27 0.00 -0.15 0.00 0.00 55.06 53.88 2bub s HIS 383 Cb -0.15 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.06 2bub s HIS 383 CO 0.08 -0.34 1.40 0.42 -0.85 0.00 0.00 174.74 175.46 2bub s ILE 384 N -3.84 3.70 0.24 0.60 1.01 -1.26 -0.82 121.20 120.83 2bub s ILE 384 Ca 0.16 0.48 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 2bub s ILE 384 Cb 0.07 -4.62 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 2bub s ILE 384 CO -0.03 -1.49 0.54 0.00 0.00 0.00 0.00 174.94 173.96 2bub s TYR 386 N -1.90 2.93 -0.09 0.00 5.04 0.14 -1.71 117.35 121.76 2bub s TYR 386 Ca 0.46 -0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.94 2bub s TYR 386 Cb -0.11 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.42 2bub s TYR 386 CO 0.25 0.15 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.38 2bub s PHE 387 N -0.32 1.93 -0.18 4.97 0.40 0.63 -0.24 117.98 125.16 2bub s PHE 387 Ca 0.04 -0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 55.50 2bub s PHE 387 Cb -0.13 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2bub s PHE 387 CO 0.02 -0.38 0.06 -0.65 0.70 0.00 0.00 175.22 174.97 2bub s GLN 388 N 0.67 3.97 0.19 0.44 -0.21 -1.26 -0.69 119.66 122.76 2bub s GLN 388 Ca -0.13 -0.35 -0.17 0.00 0.02 0.00 0.00 55.36 54.72 2bub s GLN 388 Cb -0.16 -3.21 0.16 0.00 1.00 0.00 0.00 33.01 30.80 2bub s GLN 388 CO 0.04 0.27 1.62 0.82 -2.12 0.00 0.00 175.29 175.91 2bub h ILE 389 N 4.88 0.32 0.00 1.08 1.08 -1.28 -0.62 117.51 122.97 2bub h ILE 389 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2bub h ILE 389 Cb 1.17 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 2bub h ILE 389 CO 0.70 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.63 2bub n ASP 390 N -5.42 0.15 -4.65 1.72 8.00 -1.26 -4.59 116.55 110.50 2bub n ASP 390 Ca 0.05 0.53 -0.23 0.00 0.71 0.00 0.00 54.79 55.85 2bub n ASP 390 Cb 0.33 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 2bub n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2bub s LYS 391 N -3.06 2.31 0.62 -1.24 -0.14 -0.24 -4.85 119.74 113.13 2bub s LYS 391 Ca 0.07 -1.38 -0.15 0.00 -1.36 0.00 0.00 55.97 53.15 2bub s LYS 391 Cb 0.11 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2bub s LYS 391 CO 0.33 0.37 1.07 -1.59 -0.76 0.00 0.00 175.35 174.77 2bub s LYS 392 N -3.59 3.15 1.75 1.68 -2.85 -1.26 -4.76 119.74 113.85 2bub s LYS 392 Ca 0.31 1.25 0.00 0.00 -1.00 0.00 0.00 55.97 56.53 2bub s LYS 392 Cb -0.07 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 2bub s LYS 392 CO 0.20 -0.96 0.00 -0.25 0.10 0.00 0.00 175.35 174.44 2bub n ASP 393 N -2.18 -3.37 -3.88 0.03 8.00 -1.26 -4.96 116.55 108.93 2bub n ASP 393 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.50 2bub n ASP 393 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 2bub n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bub s THR 395 N -3.94 3.57 0.66 0.00 2.01 0.67 -4.84 115.64 113.77 2bub s THR 395 Ca 0.15 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 2bub s THR 395 Cb -0.00 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.88 2bub s THR 395 CO 0.02 0.41 1.07 -0.36 -0.69 0.00 0.00 174.62 175.08 2bub s PHE 396 N 1.41 2.90 0.00 4.92 0.08 -1.26 0.25 117.98 126.28 2bub s PHE 396 Ca 0.05 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2bub s PHE 396 Cb -0.14 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 2bub s PHE 396 CO -0.01 -1.34 0.00 0.44 -0.10 0.00 0.00 175.22 174.20 2bub n ILE 397 N -2.62 0.00 -4.43 0.64 -5.35 -1.02 -4.85 119.36 101.73 2bub n ILE 397 Ca 0.09 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.34 2bub n ILE 397 Cb 0.53 0.69 -0.10 0.00 -1.74 0.00 0.00 39.64 39.02 2bub n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bub s THR 398 N 0.00 2.25 -0.18 7.28 -4.23 -1.24 -4.97 115.64 114.54 2bub s THR 398 Ca 0.00 -2.33 -0.33 0.00 -1.18 0.00 0.00 61.69 57.85 2bub s THR 398 Cb 0.00 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.77 2bub s THR 398 CO 0.00 -0.44 1.17 -1.59 -0.54 0.00 0.00 174.62 173.22 2bub s LYS 399 N -3.50 0.36 0.00 3.99 -2.85 -1.26 -4.71 119.74 111.76 2bub s LYS 399 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 2bub s LYS 399 Cb -0.04 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2bub s LYS 399 CO 0.12 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.84 2bub n GLY 400 N 0.11 3.04 3.28 0.59 0.00 -1.26 -4.93 105.19 106.02 2bub n GLY 400 Ca -0.02 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 2bub n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bub n THR 401 N -1.79 3.92 0.00 2.61 -2.24 -1.26 -4.73 114.28 110.79 2bub n THR 401 Ca 0.00 -3.97 0.00 0.00 -2.27 0.00 0.00 64.05 57.81 2bub n THR 401 Cb 0.00 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 2bub n THR 401 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2bub n TRP 402 N 6.89 0.00 -4.34 4.78 4.27 -1.26 -4.99 117.44 122.79 2bub n TRP 402 Ca 0.47 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.78 2bub n TRP 402 Cb 0.43 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.26 2bub n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 2bub s GLU 403 N -2.00 1.81 0.29 -2.67 2.02 -1.26 -4.64 118.70 112.25 2bub s GLU 403 Ca 0.00 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 2bub s GLU 403 Cb 0.00 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 2bub s GLU 403 CO 0.00 0.49 0.99 0.08 0.02 0.00 0.00 175.26 176.84 2bub s VAL 404 N -1.12 3.92 -0.18 2.63 1.01 0.00 -3.39 120.40 123.28 2bub s VAL 404 Ca 0.18 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 2bub s VAL 404 Cb -0.11 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.97 2bub s VAL 404 CO 0.10 0.32 0.29 0.40 0.00 0.00 0.00 175.10 176.21 2bub h ILE 405 N 2.90 0.91 -2.69 2.22 5.03 -0.73 -3.46 117.51 121.69 2bub h ILE 405 Ca -0.46 -2.23 -0.02 0.00 -0.12 0.00 0.00 64.86 62.03 2bub h ILE 405 Cb 1.20 2.36 -0.14 0.00 -3.03 0.00 0.00 36.82 37.21 2bub h ILE 405 CO 0.66 0.45 0.23 -0.83 -0.68 0.00 0.00 178.15 177.99 2bub s GLY 406 N -4.96 -0.59 0.09 5.37 0.00 -1.17 -5.00 107.32 101.07 2bub s GLY 406 Ca -0.27 0.75 -0.21 0.00 0.00 0.00 0.00 44.72 44.99 2bub s GLY 406 CO 0.64 0.37 0.63 -0.42 0.00 0.00 0.00 173.10 174.32 2bub s ILE 407 N -3.07 4.64 0.00 0.90 1.01 -1.26 -1.86 121.20 121.56 2bub s ILE 407 Ca -0.01 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.00 2bub s ILE 407 Cb -0.01 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2bub s ILE 407 CO -0.07 0.53 0.00 -0.62 0.00 0.00 0.00 174.94 174.78 2bub n GLU 408 N 1.76 0.10 -3.62 2.79 -0.58 -0.60 -4.95 120.64 115.54 2bub n GLU 408 Ca -0.09 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.56 2bub n GLU 408 Cb 0.50 -0.90 -0.02 0.00 -0.57 0.00 0.00 31.44 30.45 2bub n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bub s ALA 409 N -1.81 -1.50 -0.19 0.62 0.00 -0.91 -4.85 121.76 113.12 2bub s ALA 409 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 2bub s ALA 409 Cb 0.00 0.79 0.09 0.00 0.00 0.00 0.00 23.12 24.00 2bub s ALA 409 CO 0.00 -0.88 0.39 -1.17 0.00 0.00 0.00 175.76 174.10 2bub s LEU 410 N -2.80 -0.58 0.00 0.00 0.20 -1.26 0.27 118.68 114.51 2bub s LEU 410 Ca 0.06 0.86 0.01 0.00 0.69 0.00 0.00 54.13 55.75 2bub s LEU 410 Cb -0.03 1.22 -0.00 0.00 -0.43 0.00 0.00 46.19 46.95 2bub s LEU 410 CO -0.04 -0.24 0.02 0.35 -0.29 0.00 0.00 176.35 176.15 2bub n THR 411 N 5.38 0.00 1.95 3.68 -2.24 -0.76 -4.92 114.28 117.36 2bub n THR 411 Ca -0.08 -1.14 0.12 0.00 -2.27 0.00 0.00 64.05 60.68 2bub n THR 411 Cb 0.49 0.28 0.70 0.00 -2.10 0.00 0.00 70.33 69.70 2bub n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2bub n SER 412 N -1.32 0.00 -0.00 3.42 3.41 -1.26 -3.77 113.62 114.09 2bub n SER 412 Ca -0.08 -1.21 -0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2bub n SER 412 Cb 0.30 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2bub n SER 412 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bub n ASP 413 N -0.88 4.12 -4.15 4.04 8.00 -1.26 -4.88 116.55 121.54 2bub n ASP 413 Ca 0.18 -0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 2bub n ASP 413 Cb 0.08 0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.16 2bub n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bub s TYR 414 N -2.01 1.09 -0.12 1.24 2.02 -1.25 0.91 117.35 119.22 2bub s TYR 414 Ca -0.01 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2bub s TYR 414 Cb 0.00 -0.61 -0.00 0.00 -0.40 0.00 0.00 41.96 40.95 2bub s TYR 414 CO 0.02 0.02 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.66 2bub s LEU 415 N -1.88 2.33 -0.12 -1.29 0.20 -0.59 -1.83 118.68 115.50 2bub s LEU 415 Ca -0.02 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.28 2bub s LEU 415 Cb -0.08 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2bub s LEU 415 CO 0.02 0.14 0.05 -0.31 -0.29 0.00 0.00 176.35 175.96 2bub s TYR 416 N 0.45 3.28 0.21 5.38 1.51 0.14 -1.40 117.35 126.91 2bub s TYR 416 Ca -0.14 0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 55.98 2bub s TYR 416 Cb -0.17 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2bub s TYR 416 CO 0.06 0.45 0.52 1.52 -1.11 0.00 0.00 175.55 176.99 2bub s TYR 417 N -0.60 -0.06 -0.06 2.71 1.13 -0.66 -1.55 117.35 118.26 2bub s TYR 417 Ca 0.11 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 2bub s TYR 417 Cb -0.12 0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 2bub s TYR 417 CO 0.02 -0.94 -0.10 0.42 -2.51 0.00 0.00 175.55 172.44 2bub s ILE 418 N -3.89 3.44 0.26 -3.49 -1.09 -0.78 -0.61 121.20 115.04 2bub s ILE 418 Ca 0.11 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 57.86 2bub s ILE 418 Cb -0.01 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2bub s ILE 418 CO -0.01 0.59 0.42 -0.94 -1.23 0.00 0.00 174.94 173.77 2bub s SER 419 N -0.75 0.13 -0.31 3.58 1.04 -0.85 0.02 113.70 116.55 2bub s SER 419 Ca 0.12 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.50 2bub s SER 419 Cb -0.11 0.56 0.46 0.00 0.10 0.00 0.00 66.02 67.04 2bub s SER 419 CO 0.01 -1.12 1.34 -0.46 0.98 0.00 0.00 173.24 173.99 2bub n ASN 420 N -0.55 4.05 -0.04 7.02 2.04 -1.22 -1.20 115.26 125.36 2bub n ASN 420 Ca -0.01 -3.80 -0.12 0.00 -0.44 0.00 0.00 54.58 50.22 2bub n ASN 420 Cb 0.63 -0.51 -0.07 0.00 -2.53 0.00 0.00 39.78 37.30 2bub n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2bub h GLU 421 N 1.68 0.21 -6.01 -3.83 4.81 -1.85 -3.33 114.58 106.26 2bub h GLU 421 Ca 0.29 -0.07 -0.87 0.00 -0.13 0.00 0.00 59.36 58.58 2bub h GLU 421 Cb 1.38 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.75 2bub h GLU 421 CO 0.61 0.47 0.71 0.98 -0.73 0.00 0.00 179.01 181.05 2bub n TYR 422 N -4.78 1.78 -3.65 0.92 9.36 -1.26 -1.50 117.16 118.03 2bub n TYR 422 Ca -0.06 1.10 -0.28 0.00 3.32 0.00 0.00 57.90 61.99 2bub n TYR 422 Cb 0.21 -2.25 0.01 0.00 -0.63 0.00 0.00 39.34 36.68 2bub n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2bub n LYS 423 N 4.11 -4.25 -4.32 2.98 5.02 -1.26 -1.73 118.16 118.70 2bub n LYS 423 Ca 0.31 0.54 -0.38 0.00 -2.02 0.00 0.00 58.31 56.76 2bub n LYS 423 Cb -0.05 -5.34 -0.05 0.00 -0.02 0.00 0.00 35.03 29.58 2bub n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bub n GLY 424 N -1.42 -0.40 3.13 0.72 0.00 -0.56 -4.86 105.19 101.80 2bub n GLY 424 Ca 0.01 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2bub n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bub s MET 425 N -7.04 2.69 0.45 1.61 1.00 -0.71 -4.95 119.30 112.35 2bub s MET 425 Ca 0.69 -2.47 0.21 0.00 0.00 0.00 0.00 55.69 54.12 2bub s MET 425 Cb -0.39 -3.83 1.07 0.00 0.00 0.00 0.00 34.83 31.68 2bub s MET 425 CO 0.96 -1.19 1.94 -1.35 0.00 0.00 0.00 175.02 175.38 2bub h PRO 426 N 7.22 0.00 -1.17 2.03 0.11 -1.87 -1.95 132.00 136.36 2bub h PRO 426 Ca -0.01 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.76 2bub h PRO 426 Cb 0.97 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.90 2bub h PRO 426 CO 0.72 0.23 0.44 0.41 -0.21 0.00 0.00 178.00 179.60 2bub n GLY 427 N -0.48 3.90 3.25 -0.55 0.00 -1.26 -4.90 105.19 105.15 2bub n GLY 427 Ca -0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 2bub n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bub s GLY 428 N -0.31 1.25 -0.14 -0.02 0.00 -0.73 -2.31 107.32 105.05 2bub s GLY 428 Ca 0.36 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 2bub s GLY 428 CO 0.04 -1.56 0.35 0.50 0.00 0.00 0.00 173.10 172.43 2bub s ARG 429 N -3.89 0.34 0.09 2.90 1.81 -0.96 -4.13 118.95 115.11 2bub s ARG 429 Ca 0.24 0.66 0.02 0.00 -1.72 0.00 0.00 55.73 54.92 2bub s ARG 429 Cb 0.06 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 2bub s ARG 429 CO 0.04 -0.14 -0.07 -0.80 -0.68 0.00 0.00 175.30 173.65 2bub s ASN 430 N 1.14 1.13 -0.14 0.23 0.01 -0.34 -2.22 114.94 114.74 2bub s ASN 430 Ca -0.08 -0.94 -0.12 0.00 -0.71 0.00 0.00 52.86 51.01 2bub s ASN 430 Cb -0.08 0.08 -0.05 0.00 0.41 0.00 0.00 41.25 41.62 2bub s ASN 430 CO -0.09 -0.42 0.24 -0.22 -1.51 0.00 0.00 177.10 175.09 2bub s LEU 431 N -2.85 4.29 0.19 0.60 2.96 -1.26 -2.01 118.68 120.60 2bub s LEU 431 Ca 0.09 0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.57 2bub s LEU 431 Cb 0.03 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2bub s LEU 431 CO -0.04 0.21 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.72 2bub s TYR 432 N -0.04 1.82 0.04 5.38 1.51 0.22 0.10 117.35 126.38 2bub s TYR 432 Ca 0.15 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 2bub s TYR 432 Cb -0.13 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2bub s TYR 432 CO 0.04 0.38 -0.24 0.15 -1.11 0.00 0.00 175.55 174.77 2bub s LYS 433 N -3.22 1.65 -0.05 -0.62 1.02 -0.07 -1.65 119.74 116.81 2bub s LYS 433 Ca 0.20 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.22 2bub s LYS 433 Cb -0.04 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2bub s LYS 433 CO 0.08 0.46 -0.17 0.96 -0.92 0.00 0.00 175.35 175.76 2bub s ILE 434 N -0.77 2.85 -0.25 2.17 -4.36 -0.49 -1.49 121.20 118.85 2bub s ILE 434 Ca 0.10 -0.80 -0.23 0.00 -0.26 0.00 0.00 60.65 59.46 2bub s ILE 434 Cb -0.09 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 2bub s ILE 434 CO 0.02 0.59 0.75 -1.58 0.24 0.00 0.00 174.94 174.95 2bub s GLN 435 N -0.66 4.16 0.46 0.37 0.74 -0.82 -1.54 119.66 122.36 2bub s GLN 435 Ca 0.10 0.79 0.12 0.00 0.05 0.00 0.00 55.36 56.41 2bub s GLN 435 Cb -0.11 -3.65 1.03 0.00 1.10 0.00 0.00 33.01 31.39 2bub s GLN 435 CO 0.00 -0.47 2.07 -0.07 -0.55 0.00 0.00 175.29 176.28 2bub h LEU 436 N 9.07 0.21 0.00 3.68 3.38 0.18 -1.09 115.31 130.73 2bub h LEU 436 Ca -0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bub h LEU 436 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bub h LEU 436 CO 0.83 0.19 -0.69 -1.54 0.09 0.00 0.00 178.44 177.33 2bub n SER 437 N -4.47 0.62 -3.34 -0.43 3.41 -1.26 -4.68 113.62 103.48 2bub n SER 437 Ca -0.00 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 2bub n SER 437 Cb 0.11 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 2bub n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bub s ASP 438 N -3.79 0.79 0.37 4.04 -1.08 -0.43 -4.98 116.67 111.59 2bub s ASP 438 Ca 0.07 -0.81 0.26 0.00 -0.52 0.00 0.00 52.55 51.55 2bub s ASP 438 Cb 0.15 0.87 1.31 0.00 -1.46 0.00 0.00 42.92 43.79 2bub s ASP 438 CO 0.73 -0.33 1.79 1.88 0.52 0.00 0.00 175.17 179.77 2bub h TYR 439 N 7.84 0.00 0.00 -5.34 0.05 -1.79 -1.98 116.97 115.74 2bub h TYR 439 Ca -0.05 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 2bub h TYR 439 Cb 1.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 2bub h TYR 439 CO 0.28 0.00 -0.51 1.15 -1.05 0.00 0.00 178.16 178.03 2bub h THR 440 N 0.00 1.11 -2.71 -2.88 2.02 -1.93 -3.41 112.91 105.12 2bub h THR 440 Ca 0.00 -1.94 -0.62 0.00 0.77 0.00 0.00 66.41 64.62 2bub h THR 440 Cb 0.12 2.13 -0.14 0.00 -1.74 0.00 0.00 68.15 68.52 2bub h THR 440 CO 0.00 0.50 0.58 -0.54 0.37 0.00 0.00 175.52 176.44 2bub s LYS 441 N -3.46 3.14 -0.21 6.66 -0.14 -0.74 -4.98 119.74 120.02 2bub s LYS 441 Ca 0.00 -0.71 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 2bub s LYS 441 Cb 0.11 -4.20 0.03 0.00 -1.68 0.00 0.00 37.83 32.09 2bub s LYS 441 CO 0.73 -1.80 -0.16 0.08 -0.76 0.00 0.00 175.35 173.43 2bub s VAL 442 N 4.18 2.07 -0.19 3.17 1.01 -1.26 -1.94 120.40 127.44 2bub s VAL 442 Ca 0.24 -1.18 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2bub s VAL 442 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2bub s VAL 442 CO 0.12 0.33 0.03 -0.89 0.00 0.00 0.00 175.10 174.69 2bub s THR 443 N 1.23 4.40 0.08 3.92 2.01 -0.56 -4.95 115.64 121.78 2bub s THR 443 Ca -0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2bub s THR 443 Cb -0.16 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 2bub s THR 443 CO -0.10 0.44 1.15 0.00 -0.69 0.00 0.00 174.62 175.42 2bub n LEU 445 N 3.51 0.04 -0.01 0.00 4.77 0.29 -4.68 117.00 120.91 2bub n LEU 445 Ca 0.07 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2bub n LEU 445 Cb 0.47 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2bub n LEU 445 CO 0.55 0.24 -0.58 -1.54 -1.33 0.00 0.00 177.39 174.72 2bub n SER 446 N -2.51 3.85 -0.33 -1.43 3.41 -1.15 -4.73 113.62 110.72 2bub n SER 446 Ca -0.18 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.51 2bub n SER 446 Cb 0.85 1.08 0.17 0.00 -0.26 0.00 0.00 64.21 66.06 2bub n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bub n GLU 448 N -5.54 1.52 -0.16 0.00 -0.58 -1.26 -4.21 120.64 110.40 2bub n GLU 448 Ca 0.17 -1.01 -0.02 0.00 -0.42 0.00 0.00 57.16 55.88 2bub n GLU 448 Cb 0.55 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 30.11 2bub n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2bub h LEU 449 N 2.35 -0.23 -5.22 -4.62 3.38 -1.75 -3.37 115.31 105.84 2bub h LEU 449 Ca 0.00 0.12 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 2bub h LEU 449 Cb 0.67 0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 2bub h LEU 449 CO 0.00 -0.08 -0.65 0.59 0.09 0.00 0.00 178.44 178.39 2bub n ASN 450 N -5.24 -1.29 -0.41 -0.43 3.02 -1.26 -5.03 115.26 104.62 2bub n ASN 450 Ca 0.06 -3.27 0.37 0.00 -0.03 0.00 0.00 54.58 51.71 2bub n ASN 450 Cb 0.27 1.03 0.72 0.00 -0.61 0.00 0.00 39.78 41.20 2bub n ASN 450 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2bub h PRO 451 N 2.83 0.06 0.15 3.52 0.13 -1.75 0.42 132.00 137.36 2bub h PRO 451 Ca -0.09 -0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.68 2bub h PRO 451 Cb 1.11 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2bub h PRO 451 CO 0.20 0.04 -1.89 0.93 -0.23 0.00 0.00 178.00 177.06 2bub h GLU 452 N 0.06 0.31 0.08 0.86 3.07 -1.95 -3.37 114.58 113.65 2bub h GLU 452 Ca 0.67 -0.53 -0.28 0.00 -0.50 0.00 0.00 59.36 58.71 2bub h GLU 452 Cb 2.48 0.20 0.02 0.00 -0.84 0.00 0.00 28.75 30.61 2bub h GLU 452 CO -0.09 1.24 -1.17 -0.09 -1.40 0.00 0.00 179.01 177.50 2bub h ARG 453 N 0.09 0.58 -3.15 2.33 2.43 -1.75 -3.42 114.38 111.48 2bub h ARG 453 Ca -0.39 -0.73 -0.62 0.00 -0.81 0.00 0.00 59.98 57.43 2bub h ARG 453 Cb 2.06 0.24 -0.40 0.00 -0.42 0.00 0.00 29.97 31.44 2bub h ARG 453 CO 0.13 1.32 -0.70 0.00 -1.51 0.00 0.00 179.97 179.20 2bub n GLN 455 N 3.44 1.56 -3.32 0.00 6.02 0.12 -4.59 117.38 120.60 2bub n GLN 455 Ca 0.07 -2.71 -0.12 0.00 -0.01 0.00 0.00 57.00 54.23 2bub n GLN 455 Cb 0.34 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 2bub n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2bub s TYR 456 N -2.92 -0.68 0.07 1.08 6.14 -1.11 -2.27 117.35 117.66 2bub s TYR 456 Ca 0.34 -0.46 0.04 0.00 0.64 0.00 0.00 57.07 57.63 2bub s TYR 456 Cb 0.30 -0.23 -0.04 0.00 0.42 0.00 0.00 41.96 42.42 2bub s TYR 456 CO 0.03 -1.02 -0.00 0.71 0.64 0.00 0.00 175.55 175.91 2bub s TYR 457 N 1.65 2.99 0.32 4.97 2.02 -0.94 -1.83 117.35 126.52 2bub s TYR 457 Ca 0.16 -0.01 0.08 0.00 -0.37 0.00 0.00 57.07 56.93 2bub s TYR 457 Cb -0.13 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.81 2bub s TYR 457 CO -0.07 0.47 -0.07 -1.54 -1.57 0.00 0.00 175.55 172.76 2bub s SER 458 N -2.15 3.30 0.19 2.29 1.04 0.00 -4.63 113.70 113.74 2bub s SER 458 Ca 0.24 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.49 2bub s SER 458 Cb -0.12 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.69 2bub s SER 458 CO 0.17 -0.28 0.02 0.54 0.98 0.00 0.00 173.24 174.66 2bub s VAL 459 N -2.80 0.68 -0.11 5.02 0.11 -1.26 -0.07 120.40 121.97 2bub s VAL 459 Ca 0.31 -1.99 -0.03 0.00 -2.93 0.00 0.00 61.98 57.35 2bub s VAL 459 Cb 0.03 -2.21 0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2bub s VAL 459 CO 0.15 -0.40 0.04 -0.55 -3.33 0.00 0.00 175.10 171.01 2bub s SER 460 N -3.20 1.92 0.32 3.54 0.15 -0.67 -4.97 113.70 110.80 2bub s SER 460 Ca 0.26 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.49 2bub s SER 460 Cb 0.06 -0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 63.93 2bub s SER 460 CO 0.06 -0.26 0.68 -0.36 1.20 0.00 0.00 173.24 174.55 2bub s PHE 461 N 2.03 3.43 0.79 3.44 0.08 -1.26 -1.72 117.98 124.76 2bub s PHE 461 Ca 0.03 0.99 -0.10 0.00 0.12 0.00 0.00 56.93 57.98 2bub s PHE 461 Cb -0.14 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.03 2bub s PHE 461 CO -0.06 0.08 1.12 -1.54 -0.10 0.00 0.00 175.22 174.73 2bub s SER 462 N -2.71 4.39 0.60 1.36 1.04 -0.73 -4.91 113.70 112.73 2bub s SER 462 Ca 0.50 0.49 -0.19 0.00 0.48 0.00 0.00 55.95 57.23 2bub s SER 462 Cb -0.11 -0.96 -0.04 0.00 0.10 0.00 0.00 66.02 65.01 2bub s SER 462 CO 0.25 -1.92 1.08 0.29 0.98 0.00 0.00 173.24 173.92 2bub n LYS 463 N -3.20 1.04 0.00 4.02 4.76 -1.16 -1.03 118.16 122.59 2bub n LYS 463 Ca 0.10 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2bub n LYS 463 Cb 0.60 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 2bub n LYS 463 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2bub n GLU 464 N -1.17 0.00 -2.11 1.97 -0.58 -1.26 -3.56 120.64 113.92 2bub n GLU 464 Ca 0.14 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.84 2bub n GLU 464 Cb 0.47 -3.35 -0.00 0.00 -0.57 0.00 0.00 31.44 27.99 2bub n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bub n ALA 465 N 0.77 -0.12 0.01 0.62 0.00 -0.19 -4.85 120.51 116.76 2bub n ALA 465 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2bub n ALA 465 Cb 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 19.45 18.68 2bub n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bub h LYS 466 N -0.03 0.51 -4.38 0.00 1.79 -1.77 -3.42 116.57 109.26 2bub h LYS 466 Ca -0.09 -0.31 -0.22 0.00 -2.18 0.00 0.00 60.65 57.85 2bub h LYS 466 Cb 1.07 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.62 2bub h LYS 466 CO 0.10 0.91 -0.47 0.71 -1.08 0.00 0.00 179.45 179.63 2bub s TYR 467 N -4.01 1.04 0.06 -1.35 2.02 -1.26 -1.62 117.35 112.22 2bub s TYR 467 Ca -0.07 -1.26 -0.26 0.00 -0.37 0.00 0.00 57.07 55.12 2bub s TYR 467 Cb 0.12 -0.38 0.07 0.00 -0.40 0.00 0.00 41.96 41.36 2bub s TYR 467 CO 0.83 -0.77 0.61 1.52 -1.57 0.00 0.00 175.55 176.17 2bub s TYR 468 N -3.99 -0.56 -0.22 2.71 1.13 -0.19 -1.78 117.35 114.46 2bub s TYR 468 Ca 0.35 0.66 -0.07 0.00 -1.41 0.00 0.00 57.07 56.60 2bub s TYR 468 Cb 0.04 0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 2bub s TYR 468 CO 0.13 -0.71 0.06 -1.14 -2.51 0.00 0.00 175.55 171.38 2bub s GLN 469 N -2.51 3.75 0.07 -3.49 0.74 -0.70 -0.51 119.66 117.01 2bub s GLN 469 Ca -0.05 -0.44 -0.13 0.00 0.05 0.00 0.00 55.36 54.79 2bub s GLN 469 Cb -0.01 -3.25 -0.06 0.00 1.10 0.00 0.00 33.01 30.80 2bub s GLN 469 CO -0.02 -0.01 0.44 -0.51 -0.55 0.00 0.00 175.29 174.64 2bub s LEU 470 N 1.12 4.40 -0.10 3.68 1.43 -0.11 -1.67 118.68 127.43 2bub s LEU 470 Ca 0.04 0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2bub s LEU 470 Cb -0.14 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.21 2bub s LEU 470 CO 0.03 0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.83 2bub s ARG 471 N -1.60 0.69 -0.17 1.70 1.04 0.90 -2.10 118.95 119.41 2bub s ARG 471 Ca 0.31 -0.01 -0.03 0.00 -1.04 0.00 0.00 55.73 54.95 2bub s ARG 471 Cb -0.15 -1.23 -0.02 0.00 -2.04 0.00 0.00 34.95 31.51 2bub s ARG 471 CO 0.17 -0.36 -0.06 0.00 -0.04 0.00 0.00 175.30 175.01 2bub n SER 473 N 3.84 1.35 0.00 0.00 3.41 -0.76 -0.27 113.62 121.19 2bub n SER 473 Ca -0.18 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2bub n SER 473 Cb 0.52 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2bub n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bub n GLY 474 N 0.22 -2.11 0.00 5.00 0.00 -1.26 -0.89 105.19 106.15 2bub n GLY 474 Ca 0.02 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 44.79 2bub n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bub n PRO 475 N -0.74 0.81 -1.97 1.61 -0.04 -0.34 0.16 135.00 134.49 2bub n PRO 475 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2bub n PRO 475 Cb 0.00 -1.42 0.11 0.00 -0.04 0.00 0.00 33.50 32.15 2bub n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bub n GLY 476 N 0.58 0.06 3.70 0.55 0.00 0.23 -4.68 105.19 105.63 2bub n GLY 476 Ca 0.17 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2bub n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bub s LEU 477 N 0.00 3.14 0.45 0.99 1.43 -1.26 -4.63 118.68 118.79 2bub s LEU 477 Ca 0.54 2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 55.80 2bub s LEU 477 Cb -0.03 -4.59 -0.13 0.00 0.03 0.00 0.00 46.19 41.47 2bub s LEU 477 CO 0.37 -2.67 0.27 -2.65 0.23 0.00 0.00 176.35 171.90 2bub n PRO 478 N -3.31 0.26 -3.74 1.29 -0.02 -1.26 -4.63 135.00 123.60 2bub n PRO 478 Ca 0.13 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2bub n PRO 478 Cb 0.51 -1.27 -0.15 0.00 -0.02 0.00 0.00 33.50 32.57 2bub n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bub s LEU 479 N 3.05 0.63 -0.19 2.45 0.20 0.63 -4.26 118.68 121.19 2bub s LEU 479 Ca 0.62 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.74 2bub s LEU 479 Cb -0.58 0.34 0.04 0.00 -0.43 0.00 0.00 46.19 45.56 2bub s LEU 479 CO 0.60 -0.16 -0.11 -0.31 -0.29 0.00 0.00 176.35 176.08 2bub s TYR 480 N 1.31 2.44 0.12 5.38 1.51 -0.15 0.33 117.35 128.29 2bub s TYR 480 Ca -0.08 -1.57 0.03 0.00 -1.01 0.00 0.00 57.07 54.44 2bub s TYR 480 Cb -0.12 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2bub s TYR 480 CO -0.06 -0.74 -0.09 0.95 -1.11 0.00 0.00 175.55 174.50 2bub s THR 481 N 1.39 0.97 -0.07 -0.71 -4.23 -0.89 -0.73 115.64 111.37 2bub s THR 481 Ca -0.00 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2bub s THR 481 Cb -0.16 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 2bub s THR 481 CO -0.09 -0.74 -0.23 -0.22 -0.54 0.00 0.00 174.62 172.80 2bub s LEU 482 N -2.96 2.17 0.08 4.79 1.98 -0.39 -0.94 118.68 123.41 2bub s LEU 482 Ca 0.13 -0.49 0.04 0.00 -2.89 0.00 0.00 54.13 50.91 2bub s LEU 482 Cb 0.02 -1.41 -0.03 0.00 0.66 0.00 0.00 46.19 45.43 2bub s LEU 482 CO -0.01 0.23 -0.10 -1.00 -1.89 0.00 0.00 176.35 173.57 2bub s HIS 483 N -0.05 1.02 -0.20 5.38 3.76 0.34 -2.57 115.29 122.96 2bub s HIS 483 Ca -0.06 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.24 2bub s HIS 483 Cb -0.15 -0.57 -0.00 0.00 1.11 0.00 0.00 32.58 32.97 2bub s HIS 483 CO 0.05 -0.01 -0.08 0.45 -0.85 0.00 0.00 174.74 174.30 2bub s SER 484 N -2.13 4.03 0.00 1.40 0.15 -1.04 -1.02 113.70 115.09 2bub s SER 484 Ca 0.01 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.31 2bub s SER 484 Cb -0.06 -1.67 0.56 0.00 -1.71 0.00 0.00 66.02 63.14 2bub s SER 484 CO 0.01 0.00 0.97 -1.54 1.20 0.00 0.00 173.24 173.88 2bub n SER 485 N 4.65 0.00 0.17 5.45 3.41 -0.64 -0.75 113.62 125.92 2bub n SER 485 Ca -0.19 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 57.84 2bub n SER 485 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2bub n SER 485 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2bub h VAL 486 N 0.00 0.35 -0.04 -3.33 2.07 -1.91 -3.37 116.25 110.01 2bub h VAL 486 Ca 0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2bub h VAL 486 Cb 0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2bub h VAL 486 CO 0.00 0.08 0.00 0.59 0.02 0.00 0.00 177.57 178.26 2bub n ASN 487 N -5.12 1.93 -1.52 0.57 4.13 -1.25 -4.99 115.26 109.01 2bub n ASN 487 Ca -0.08 -1.80 -0.10 0.00 1.68 0.00 0.00 54.58 54.27 2bub n ASN 487 Cb 0.26 -0.03 0.02 0.00 -1.54 0.00 0.00 39.78 38.49 2bub n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2bub n ASP 488 N -0.25 -3.67 -4.58 6.41 10.43 0.07 -5.02 116.55 119.95 2bub n ASP 488 Ca 0.02 -0.13 -0.32 0.00 2.57 0.00 0.00 54.79 56.93 2bub n ASP 488 Cb 0.23 -2.60 0.16 0.00 1.84 0.00 0.00 41.12 40.75 2bub n ASP 488 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2bub n LYS 489 N -2.26 -0.47 -3.55 -1.24 4.81 -1.11 -4.78 118.16 109.56 2bub n LYS 489 Ca -0.06 -0.08 -0.31 0.00 -0.87 0.00 0.00 58.31 57.00 2bub n LYS 489 Cb 0.56 -2.20 -0.08 0.00 0.02 0.00 0.00 35.03 33.33 2bub n LYS 489 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bub n GLY 490 N 0.70 4.50 0.22 3.14 0.00 -1.26 -2.48 105.19 110.01 2bub n GLY 490 Ca 0.10 -2.68 -0.07 0.00 0.00 0.00 0.00 46.02 43.37 2bub n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bub h LEU 491 N 5.00 -0.91 -7.21 0.99 3.38 -1.86 -3.47 115.31 111.22 2bub h LEU 491 Ca 0.18 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2bub h LEU 491 Cb 0.71 0.38 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 2bub h LEU 491 CO 0.86 -0.19 -0.10 -0.60 0.09 0.00 0.00 178.44 178.51 2bub s ARG 492 N -4.27 0.65 -0.38 1.13 3.52 -1.18 -5.03 118.95 113.39 2bub s ARG 492 Ca -0.07 0.60 -0.16 0.00 -0.13 0.00 0.00 55.73 55.97 2bub s ARG 492 Cb 0.04 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 2bub s ARG 492 CO 0.30 -0.10 0.36 0.08 -0.81 0.00 0.00 175.30 175.12 2bub s VAL 493 N -0.00 5.17 -0.01 7.11 1.01 -1.26 -1.26 120.40 131.16 2bub s VAL 493 Ca -0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2bub s VAL 493 Cb -0.03 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2bub s VAL 493 CO 0.02 -0.24 0.58 -0.07 0.00 0.00 0.00 175.10 175.39 2bub h LEU 494 N 8.80 -0.26 -8.18 3.92 3.38 -1.26 -3.47 115.31 118.25 2bub h LEU 494 Ca -0.28 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.29 2bub h LEU 494 Cb 1.13 0.07 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 2bub h LEU 494 CO 0.73 -0.05 -0.78 -0.70 0.09 0.00 0.00 178.44 177.72 2bub s GLU 495 N -2.73 0.83 -0.00 1.13 2.56 -0.86 -5.01 118.70 114.62 2bub s GLU 495 Ca -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 54.97 54.38 2bub s GLU 495 Cb 0.00 -0.80 0.01 0.00 2.00 0.00 0.00 34.13 35.35 2bub s GLU 495 CO 0.13 0.21 0.68 -0.40 -0.56 0.00 0.00 175.26 175.32 2bub n ASP 496 N 2.33 0.49 -1.17 -1.70 5.75 -1.26 -0.98 116.55 120.01 2bub n ASP 496 Ca -0.16 -1.39 -0.13 0.00 -0.01 0.00 0.00 54.79 53.10 2bub n ASP 496 Cb 0.56 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 2bub n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2bub n ASN 497 N -0.15 -4.37 -0.25 -1.12 3.02 -1.26 -4.84 115.26 106.29 2bub n ASN 497 Ca 0.01 0.32 -0.06 0.00 -0.03 0.00 0.00 54.58 54.81 2bub n ASN 497 Cb 0.48 -3.68 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 2bub n ASN 497 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2bub n SER 498 N -0.70 -0.62 0.03 6.41 2.88 -1.26 -0.59 113.62 119.77 2bub n SER 498 Ca -0.13 1.04 -0.07 0.00 -1.33 0.00 0.00 58.87 58.38 2bub n SER 498 Cb 0.51 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 2bub n SER 498 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bub h ALA 499 N 0.29 -0.71 -0.87 -1.46 0.00 -2.01 0.48 119.26 114.99 2bub h ALA 499 Ca 0.09 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2bub h ALA 499 Cb 0.24 0.70 -0.16 0.00 0.00 0.00 0.00 17.79 18.56 2bub h ALA 499 CO -0.55 -0.78 -0.20 -0.11 0.00 0.00 0.00 179.25 177.62 2bub n LEU 500 N -3.81 -0.29 0.00 0.00 0.00 0.25 -2.09 117.00 111.06 2bub n LEU 500 Ca -0.03 1.49 0.00 0.00 0.00 0.00 0.00 56.01 57.47 2bub n LEU 500 Cb 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.14 2bub n LEU 500 CO 0.06 -1.44 0.41 -0.67 0.00 0.00 0.00 177.39 175.75 2bub n ASP 501 N -5.40 0.00 0.28 1.96 -0.08 0.14 -0.27 116.55 113.18 2bub n ASP 501 Ca 0.14 0.82 0.17 0.00 -1.51 0.00 0.00 54.79 54.42 2bub n ASP 501 Cb 0.45 -0.32 0.92 0.00 2.34 0.00 0.00 41.12 44.52 2bub n ASP 501 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2bub h LYS 502 N 0.00 0.00 -0.05 -0.67 5.09 -1.23 0.31 116.57 120.02 2bub h LYS 502 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2bub h LYS 502 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 2bub h LYS 502 CO 0.00 0.00 -0.01 0.52 -2.09 0.00 0.00 179.45 177.87 2bub h MET 503 N 0.00 0.09 0.00 0.07 2.86 -0.07 -3.24 114.93 114.64 2bub h MET 503 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2bub h MET 503 Cb 0.17 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2bub h MET 503 CO 0.00 0.43 -0.04 -0.07 1.06 0.00 0.00 176.91 178.29 2bub h LEU 504 N -0.25 0.00 -1.43 1.22 3.38 0.15 -2.38 115.31 116.01 2bub h LEU 504 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bub h LEU 504 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2bub h LEU 504 CO 0.00 0.04 0.00 1.56 0.09 0.00 0.00 178.44 180.14 2bub h GLN 505 N 0.00 0.00 -0.41 1.13 4.20 -1.42 -1.90 115.11 116.71 2bub h GLN 505 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bub h GLN 505 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2bub h GLN 505 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 2bub n ASN 506 N -2.68 2.93 -4.35 1.46 3.02 -0.89 -4.87 115.26 109.88 2bub n ASN 506 Ca 0.00 -1.93 -0.28 0.00 -0.03 0.00 0.00 54.58 52.34 2bub n ASN 506 Cb 0.21 -0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 38.97 2bub n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bub s VAL 507 N -1.46 2.11 -1.44 2.41 1.01 -0.72 -4.14 120.40 118.18 2bub s VAL 507 Ca 0.37 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 2bub s VAL 507 Cb 0.21 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.77 2bub s VAL 507 CO 0.28 0.15 2.17 0.00 0.00 0.00 0.00 175.10 177.70 2bub n GLN 508 N 1.22 2.89 -1.24 2.72 6.02 -0.16 -4.86 117.38 123.97 2bub n GLN 508 Ca -0.18 -2.68 -0.33 0.00 -0.01 0.00 0.00 57.00 53.80 2bub n GLN 508 Cb 0.53 -3.32 0.11 0.00 1.02 0.00 0.00 30.24 28.58 2bub n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2bub s MET 509 N 3.34 1.92 0.55 -1.09 -1.94 -1.26 -4.51 119.30 116.31 2bub s MET 509 Ca 0.48 1.58 -0.04 0.00 -1.71 0.00 0.00 55.69 56.00 2bub s MET 509 Cb 0.13 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 35.15 2bub s MET 509 CO -0.07 -1.96 0.84 -1.25 -0.01 0.00 0.00 175.02 172.57 2bub s PRO 510 N -4.27 2.92 0.29 2.03 0.05 -1.26 -4.12 135.00 130.64 2bub s PRO 510 Ca 0.70 -0.18 0.08 0.00 0.05 0.00 0.00 61.00 61.64 2bub s PRO 510 Cb -0.25 -2.36 -0.03 0.00 0.05 0.00 0.00 34.50 31.91 2bub s PRO 510 CO 0.50 -0.60 0.20 -1.54 0.05 0.00 0.00 177.00 175.61 2bub s SER 511 N -4.29 5.24 0.07 6.66 1.04 0.22 -4.86 113.70 117.77 2bub s SER 511 Ca 0.53 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.61 2bub s SER 511 Cb -0.10 -1.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 2bub s SER 511 CO 0.43 -0.17 -0.23 -0.75 0.98 0.00 0.00 173.24 173.50 2bub s LYS 512 N -3.87 1.77 -0.24 4.02 2.20 -1.26 0.47 119.74 122.82 2bub s LYS 512 Ca 0.36 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2bub s LYS 512 Cb -0.06 -2.03 0.07 0.00 -1.51 0.00 0.00 37.83 34.29 2bub s LYS 512 CO 0.25 0.50 -0.01 0.21 -0.36 0.00 0.00 175.35 175.94 2bub s LYS 513 N -1.59 1.33 -0.30 4.03 2.36 -0.82 -4.97 119.74 119.79 2bub s LYS 513 Ca 0.14 -0.97 -0.18 0.00 -2.55 0.00 0.00 55.97 52.41 2bub s LYS 513 Cb -0.10 -2.48 -0.02 0.00 -1.05 0.00 0.00 37.83 34.18 2bub s LYS 513 CO 0.05 -0.68 0.50 -0.51 1.55 0.00 0.00 175.35 176.26 2bub s LEU 514 N 1.47 4.17 0.00 5.43 1.43 -1.26 -2.18 118.68 127.74 2bub s LEU 514 Ca -0.02 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2bub s LEU 514 Cb -0.18 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2bub s LEU 514 CO -0.09 -0.36 0.04 -0.67 0.23 0.00 0.00 176.35 175.50 2bub n ASP 515 N 5.61 -0.12 -4.27 2.29 -0.08 -0.81 -5.01 116.55 114.16 2bub n ASP 515 Ca -0.05 -1.16 -0.15 0.00 -1.51 0.00 0.00 54.79 51.92 2bub n ASP 515 Cb 0.49 0.23 -0.10 0.00 2.34 0.00 0.00 41.12 44.08 2bub n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2bub s PHE 516 N -5.06 1.33 0.07 -0.67 -0.12 -1.26 -0.64 117.98 111.63 2bub s PHE 516 Ca 0.02 -0.98 0.04 0.00 -0.05 0.00 0.00 56.93 55.96 2bub s PHE 516 Cb -0.00 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 2bub s PHE 516 CO 0.02 -0.15 -0.11 0.96 -0.05 0.00 0.00 175.22 175.89 2bub s ILE 517 N -3.57 0.88 -0.14 -4.49 -4.36 -0.64 -4.94 121.20 103.94 2bub s ILE 517 Ca 0.25 -1.39 -0.08 0.00 -0.26 0.00 0.00 60.65 59.17 2bub s ILE 517 Cb 0.06 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 2bub s ILE 517 CO 0.06 -0.41 0.13 -0.63 0.24 0.00 0.00 174.94 174.32 2bub s ILE 518 N -1.82 5.45 -0.03 8.37 1.01 -1.26 -0.49 121.20 132.43 2bub s ILE 518 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 2bub s ILE 518 Cb -0.07 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2bub s ILE 518 CO 0.01 0.57 -0.07 0.18 0.00 0.00 0.00 174.94 175.63 2bub n LEU 519 N 2.38 0.48 -0.02 2.97 4.77 -0.34 -4.90 117.00 122.34 2bub n LEU 519 Ca -0.19 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2bub n LEU 519 Cb 0.54 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2bub n LEU 519 CO 0.32 -0.47 -0.08 0.78 -1.33 0.00 0.00 177.39 176.61 2bub h ASN 520 N -0.20 0.00 0.00 -1.43 2.35 -2.01 -3.45 115.58 110.83 2bub h ASN 520 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2bub h ASN 520 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2bub h ASN 520 CO 0.00 0.22 -0.16 -0.62 -1.65 0.00 0.00 177.43 175.22 2bub n GLU 521 N -2.99 0.00 -3.10 0.81 1.02 -1.26 -5.12 120.64 110.01 2bub n GLU 521 Ca -0.02 -0.40 -0.36 0.00 -0.02 0.00 0.00 57.16 56.37 2bub n GLU 521 Cb 0.06 0.04 -0.06 0.00 -0.02 0.00 0.00 31.44 31.46 2bub n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2bub s THR 522 N 0.00 4.58 -0.14 2.62 2.01 -1.26 -5.02 115.64 118.43 2bub s THR 522 Ca 0.01 1.25 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 2bub s THR 522 Cb 0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2bub s THR 522 CO -0.01 0.16 0.49 -0.54 -0.69 0.00 0.00 174.62 174.03 2bub s LYS 523 N -2.09 4.31 -0.20 4.92 1.02 -1.26 -1.20 119.74 125.23 2bub s LYS 523 Ca 0.44 0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.89 2bub s LYS 523 Cb -0.16 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2bub s LYS 523 CO 0.21 0.08 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.55 2bub s PHE 524 N 0.87 2.53 0.72 3.18 0.08 0.36 -4.96 117.98 120.76 2bub s PHE 524 Ca 0.26 -1.68 -0.12 0.00 0.12 0.00 0.00 56.93 55.51 2bub s PHE 524 Cb -0.15 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2bub s PHE 524 CO 0.10 -0.76 1.08 -1.58 -0.10 0.00 0.00 175.22 173.96 2bub s TRP 525 N 1.36 2.77 0.18 0.36 0.52 -1.26 -1.63 118.94 121.25 2bub s TRP 525 Ca -0.02 1.51 -0.15 0.00 0.02 0.00 0.00 56.10 57.46 2bub s TRP 525 Cb -0.16 -3.01 0.02 0.00 -1.15 0.00 0.00 33.47 29.16 2bub s TRP 525 CO -0.08 -1.56 0.46 1.52 0.02 0.00 0.00 176.95 177.31 2bub s TYR 526 N -2.82 -0.02 0.17 -1.98 1.13 0.19 -2.27 117.35 111.75 2bub s TYR 526 Ca 0.61 -0.33 0.06 0.00 -1.41 0.00 0.00 57.07 56.01 2bub s TYR 526 Cb -0.17 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 2bub s TYR 526 CO 0.52 -0.85 -0.12 1.14 -2.51 0.00 0.00 175.55 173.72 2bub s GLN 527 N -3.89 1.19 0.01 -3.49 -2.07 -0.24 -1.92 119.66 109.25 2bub s GLN 527 Ca 0.10 -1.51 0.00 0.00 -1.82 0.00 0.00 55.36 52.14 2bub s GLN 527 Cb 0.00 -0.87 -0.01 0.00 -1.09 0.00 0.00 33.01 31.04 2bub s GLN 527 CO -0.03 0.13 -0.02 -1.64 -1.32 0.00 0.00 175.29 172.41 2bub s MET 528 N -3.65 0.17 -0.23 9.60 -1.94 -0.93 -0.93 119.30 121.39 2bub s MET 528 Ca 0.19 -0.20 -0.10 0.00 -1.71 0.00 0.00 55.69 53.87 2bub s MET 528 Cb 0.01 -0.07 -0.05 0.00 2.01 0.00 0.00 34.83 36.73 2bub s MET 528 CO 0.04 0.01 0.14 0.42 -0.01 0.00 0.00 175.02 175.62 2bub s ILE 529 N -0.39 5.27 -0.09 2.53 -1.09 0.21 -1.94 121.20 125.70 2bub s ILE 529 Ca -0.03 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 2bub s ILE 529 Cb -0.03 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 2bub s ILE 529 CO -0.00 0.37 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.10 2bub s LEU 530 N 0.93 2.27 0.42 2.97 1.43 0.18 -2.38 118.68 124.50 2bub s LEU 530 Ca 0.07 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 2bub s LEU 530 Cb -0.13 -1.45 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 2bub s LEU 530 CO 0.03 0.20 0.62 -2.65 0.23 0.00 0.00 176.35 174.78 2bub n PRO 531 N 3.23 0.67 -0.68 1.29 -0.02 -1.26 -0.61 135.00 137.62 2bub n PRO 531 Ca -0.18 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 2bub n PRO 531 Cb 0.53 -1.59 0.17 0.00 -0.02 0.00 0.00 33.50 32.58 2bub n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bub n PRO 532 N 0.50 -0.56 -3.87 0.52 -0.04 -1.26 -2.01 135.00 128.28 2bub n PRO 532 Ca 0.11 -0.10 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2bub n PRO 532 Cb 0.40 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 2bub n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2bub n HIS 533 N -4.19 -0.86 -1.67 0.54 8.25 -1.26 -4.80 115.22 111.23 2bub n HIS 533 Ca 0.10 0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 57.30 2bub n HIS 533 Cb 0.52 -1.80 -0.03 0.00 1.12 0.00 0.00 29.99 29.80 2bub n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bub n PHE 534 N -3.54 2.52 -3.95 4.41 7.35 -0.85 -4.93 117.46 118.47 2bub n PHE 534 Ca -0.12 -0.31 -0.33 0.00 -0.76 0.00 0.00 57.45 55.93 2bub n PHE 534 Cb 0.40 -2.78 -0.14 0.00 0.35 0.00 0.00 39.48 37.31 2bub n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bub s ASP 535 N 4.15 4.91 0.00 -2.13 2.15 -1.26 -4.99 116.67 119.49 2bub s ASP 535 Ca 0.88 -2.10 0.02 0.00 0.43 0.00 0.00 52.55 51.78 2bub s ASP 535 Cb -0.46 -1.69 0.13 0.00 -0.30 0.00 0.00 42.92 40.60 2bub s ASP 535 CO 0.42 -0.42 0.49 2.29 -0.17 0.00 0.00 175.17 177.77 2bub n LYS 536 N 4.36 0.34 -0.27 4.34 2.85 -1.26 -2.05 118.16 126.46 2bub n LYS 536 Ca 0.02 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.39 2bub n LYS 536 Cb 0.42 -1.10 0.26 0.00 -0.65 0.00 0.00 35.03 33.96 2bub n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2bub n SER 537 N -0.60 3.60 -4.51 -5.58 3.41 -1.26 -4.33 113.62 104.35 2bub n SER 537 Ca 0.02 -1.98 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 2bub n SER 537 Cb 0.01 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 2bub n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bub s LYS 538 N -1.16 2.14 -0.23 4.33 -0.14 -0.87 -5.02 119.74 118.80 2bub s LYS 538 Ca 0.41 -0.96 -0.26 0.00 -1.36 0.00 0.00 55.97 53.80 2bub s LYS 538 Cb 0.22 -2.26 -0.00 0.00 -1.68 0.00 0.00 37.83 34.11 2bub s LYS 538 CO 0.30 0.54 0.89 0.15 -0.76 0.00 0.00 175.35 176.46 2bub s LYS 539 N -1.63 4.22 -0.10 1.68 -0.14 -1.26 -4.30 119.74 118.21 2bub s LYS 539 Ca 0.17 1.07 -0.00 0.00 -1.36 0.00 0.00 55.97 55.84 2bub s LYS 539 Cb -0.11 -3.63 -0.03 0.00 -1.68 0.00 0.00 37.83 32.39 2bub s LYS 539 CO 0.08 -0.51 -0.08 0.71 -0.76 0.00 0.00 175.35 174.78 2bub s TYR 540 N 2.81 2.91 0.51 3.18 1.51 0.65 -4.63 117.35 124.29 2bub s TYR 540 Ca 0.38 -0.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.05 2bub s TYR 540 Cb -0.15 -1.79 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 2bub s TYR 540 CO 0.08 0.12 1.03 -1.25 -1.11 0.00 0.00 175.55 174.42 2bub s PRO 541 N -0.29 3.74 -0.05 -1.71 0.04 -1.26 -1.16 135.00 134.31 2bub s PRO 541 Ca 0.04 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2bub s PRO 541 Cb -0.13 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2bub s PRO 541 CO 0.03 -0.47 -0.07 -1.17 0.04 0.00 0.00 177.00 175.35 2bub s LEU 542 N -3.77 1.44 -0.17 -3.56 0.20 -0.61 -1.45 118.68 110.77 2bub s LEU 542 Ca 0.65 -0.20 -0.01 0.00 0.69 0.00 0.00 54.13 55.27 2bub s LEU 542 Cb -0.15 -0.60 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 2bub s LEU 542 CO 0.25 -0.02 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.93 2bub s LEU 543 N 0.84 2.57 -0.46 -0.68 0.20 0.16 -0.77 118.68 120.55 2bub s LEU 543 Ca -0.12 -0.44 -0.19 0.00 0.69 0.00 0.00 54.13 54.07 2bub s LEU 543 Cb -0.15 -1.60 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 2bub s LEU 543 CO 0.01 0.07 0.55 -0.22 -0.29 0.00 0.00 176.35 176.47 2bub s LEU 544 N 0.90 4.89 -0.46 -0.68 1.98 0.21 -0.57 118.68 124.96 2bub s LEU 544 Ca -0.03 -0.75 -0.19 0.00 -2.89 0.00 0.00 54.13 50.27 2bub s LEU 544 Cb -0.15 -2.46 0.03 0.00 0.66 0.00 0.00 46.19 44.27 2bub s LEU 544 CO -0.01 -0.74 0.57 -0.62 -1.89 0.00 0.00 176.35 173.65 2bub s ASP 545 N 2.24 6.25 0.19 3.68 -1.08 -0.28 -1.17 116.67 126.49 2bub s ASP 545 Ca 0.15 -0.65 0.06 0.00 -0.52 0.00 0.00 52.55 51.58 2bub s ASP 545 Cb -0.18 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 2bub s ASP 545 CO 0.13 -0.75 0.12 -0.69 0.52 0.00 0.00 175.17 174.50 2bub s VAL 546 N 2.52 4.30 0.00 1.11 1.01 -1.10 -4.44 120.40 123.80 2bub s VAL 546 Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2bub s VAL 546 Cb -0.17 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2bub s VAL 546 CO 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.08 2bub n TYR 547 N -0.47 0.00 -2.78 5.22 9.36 -1.26 -4.24 117.16 122.99 2bub n TYR 547 Ca -0.08 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.06 2bub n TYR 547 Cb 0.55 0.24 0.02 0.00 -0.63 0.00 0.00 39.34 39.52 2bub n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bub n ALA 548 N -2.30 -0.42 -2.33 2.98 0.00 -1.26 -3.52 120.51 113.67 2bub n ALA 548 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2bub n ALA 548 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 2bub n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bub s GLY 549 N -3.05 2.00 -0.27 0.00 0.00 -1.26 -4.91 107.32 99.82 2bub s GLY 549 Ca 0.18 -1.79 -0.38 0.00 0.00 0.00 0.00 44.72 42.72 2bub s GLY 549 CO 0.22 -1.65 1.91 -1.05 0.00 0.00 0.00 173.10 172.53 2bub n PRO 550 N -1.48 1.29 -0.51 2.90 -0.02 -1.24 0.79 135.00 136.74 2bub n PRO 550 Ca 0.01 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2bub n PRO 550 Cb 0.61 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2bub n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bub s SER 552 N -2.78 3.72 -0.30 0.00 1.04 0.24 -3.72 113.70 111.90 2bub s SER 552 Ca 0.00 1.09 0.02 0.00 0.48 0.00 0.00 55.95 57.55 2bub s SER 552 Cb 0.00 -1.72 0.16 0.00 0.10 0.00 0.00 66.02 64.56 2bub s SER 552 CO 0.00 -2.44 0.41 -1.58 0.98 0.00 0.00 173.24 170.62 2bub s GLN 553 N -5.21 0.43 0.00 4.02 0.74 -1.26 -0.64 119.66 117.74 2bub s GLN 553 Ca 0.63 0.08 0.26 0.00 0.05 0.00 0.00 55.36 56.38 2bub s GLN 553 Cb -0.15 -0.31 0.61 0.00 1.10 0.00 0.00 33.01 34.26 2bub s GLN 553 CO 0.54 -1.05 1.47 1.63 -0.55 0.00 0.00 175.29 177.34 2bub n LYS 554 N 5.29 0.76 -3.48 1.67 4.76 -1.26 -4.83 118.16 121.07 2bub n LYS 554 Ca 0.01 -0.48 -0.42 0.00 -2.87 0.00 0.00 58.31 54.55 2bub n LYS 554 Cb 0.49 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.09 2bub n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bub s ALA 555 N -2.57 3.48 0.18 7.82 0.00 -1.26 -4.76 121.76 124.65 2bub s ALA 555 Ca 0.22 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 2bub s ALA 555 Cb 0.19 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2bub s ALA 555 CO 0.56 -1.33 0.30 -0.40 0.00 0.00 0.00 175.76 174.88 2bub n ASP 556 N 5.14 -0.84 -1.14 0.00 5.68 -1.26 -4.36 116.55 119.77 2bub n ASP 556 Ca -0.11 -1.89 0.11 0.00 -0.50 0.00 0.00 54.79 52.40 2bub n ASP 556 Cb 0.48 1.49 0.24 0.00 -1.14 0.00 0.00 41.12 42.19 2bub n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bub n THR 557 N -0.28 0.73 -2.14 2.12 -2.24 -0.98 -4.88 114.28 106.62 2bub n THR 557 Ca -0.01 -0.87 -0.40 0.00 -2.27 0.00 0.00 64.05 60.51 2bub n THR 557 Cb 0.29 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 2bub n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bub s VAL 558 N -1.21 2.80 -0.27 2.28 1.01 -1.26 -1.20 120.40 122.54 2bub s VAL 558 Ca 0.40 0.74 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 2bub s VAL 558 Cb 0.22 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2bub s VAL 558 CO 0.30 0.12 0.56 0.12 0.00 0.00 0.00 175.10 176.20 2bub s PHE 559 N -1.26 3.26 0.06 5.22 5.36 -0.07 -4.88 117.98 125.67 2bub s PHE 559 Ca 0.54 0.65 0.09 0.00 -0.96 0.00 0.00 56.93 57.25 2bub s PHE 559 Cb -0.37 -2.80 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 2bub s PHE 559 CO 0.47 -0.34 -0.26 1.03 -1.46 0.00 0.00 175.22 174.66 2bub s ARG 560 N 2.41 1.75 -0.24 10.12 0.52 -1.26 -4.92 118.95 127.33 2bub s ARG 560 Ca 0.23 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 2bub s ARG 560 Cb -0.15 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.39 2bub s ARG 560 CO 0.10 0.50 -0.13 -0.51 0.02 0.00 0.00 175.30 175.28 2bub s LEU 561 N -1.34 3.09 0.00 2.53 1.43 -1.26 -4.89 118.68 118.24 2bub s LEU 561 Ca 0.12 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2bub s LEU 561 Cb -0.10 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2bub s LEU 561 CO 0.03 -0.15 0.00 -0.46 0.23 0.00 0.00 176.35 176.00 2bub n ASN 562 N 4.49 0.00 0.06 2.29 0.23 -1.26 -5.00 115.26 116.06 2bub n ASN 562 Ca -0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.77 2bub n ASN 562 Cb 0.44 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 2bub n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2bub h TRP 563 N 0.00 -0.06 -1.12 -2.53 7.01 -1.98 -2.74 115.95 114.53 2bub h TRP 563 Ca 0.00 -0.00 0.31 0.00 2.11 0.00 0.00 58.89 61.31 2bub h TRP 563 Cb 0.00 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 26.99 2bub h TRP 563 CO 0.00 -0.04 0.75 0.00 -2.79 0.00 0.00 178.44 176.36 2bub h ALA 564 N 0.90 2.54 0.00 2.65 0.00 -1.98 0.72 119.26 124.09 2bub h ALA 564 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bub h ALA 564 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bub h ALA 564 CO 0.01 -0.96 0.00 2.41 0.00 0.00 0.00 179.25 180.70 2bub n THR 565 N -4.51 0.32 -0.02 0.00 -1.04 -1.03 -2.88 114.28 105.11 2bub n THR 565 Ca 0.27 0.08 -0.04 0.00 -2.04 0.00 0.00 64.05 62.32 2bub n THR 565 Cb 1.06 -0.78 -0.02 0.00 -1.82 0.00 0.00 70.33 68.77 2bub n THR 565 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bub n TYR 566 N -1.20 0.00 -0.34 -1.42 9.36 0.25 -3.67 117.16 120.13 2bub n TYR 566 Ca 0.10 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.50 2bub n TYR 566 Cb 0.12 -0.16 0.40 0.00 -0.63 0.00 0.00 39.34 39.07 2bub n TYR 566 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2bub h LEU 567 N -0.09 0.65 0.35 2.98 3.38 -1.51 -1.99 115.31 119.07 2bub h LEU 567 Ca -0.10 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2bub h LEU 567 Cb 1.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bub h LEU 567 CO -0.05 0.14 -0.17 0.00 0.09 0.00 0.00 178.44 178.46 2bub h ALA 568 N 1.69 -0.60 -0.10 1.53 0.00 -1.55 -0.20 119.26 120.03 2bub h ALA 568 Ca 0.62 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.23 2bub h ALA 568 Cb 1.20 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2bub h ALA 568 CO -0.41 -0.56 -0.72 0.66 0.00 0.00 0.00 179.25 178.21 2bub h SER 569 N -0.84 0.59 0.03 0.00 4.64 -1.63 -2.57 113.55 113.78 2bub h SER 569 Ca -0.05 -0.38 -0.23 0.00 -0.47 0.00 0.00 61.79 60.66 2bub h SER 569 Cb 0.36 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2bub h SER 569 CO 0.08 1.13 -1.26 0.74 -0.87 0.00 0.00 176.83 176.65 2bub h THR 570 N 0.35 0.98 -0.94 2.95 2.02 -1.51 -3.41 112.91 113.34 2bub h THR 570 Ca -0.03 -2.25 -0.56 0.00 0.77 0.00 0.00 66.41 64.34 2bub h THR 570 Cb 1.31 2.44 -0.29 0.00 -1.74 0.00 0.00 68.15 69.87 2bub h THR 570 CO 0.13 0.48 0.64 -0.62 0.37 0.00 0.00 175.52 176.52 2bub n GLU 571 N -4.25 2.44 -1.93 6.66 -0.58 -0.17 -4.96 120.64 117.84 2bub n GLU 571 Ca -0.29 -3.18 0.00 0.00 -0.42 0.00 0.00 57.16 53.27 2bub n GLU 571 Cb 0.74 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2bub n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2bub n ASN 572 N -1.04 0.00 -4.13 1.62 3.02 -0.89 -4.71 115.26 109.13 2bub n ASN 572 Ca 0.59 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.92 2bub n ASN 572 Cb 1.21 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 40.23 2bub n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bub s ILE 573 N -1.73 1.14 -0.14 2.41 1.01 -0.68 -4.53 121.20 118.68 2bub s ILE 573 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 2bub s ILE 573 Cb 0.00 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2bub s ILE 573 CO 0.00 0.23 0.84 -0.63 0.00 0.00 0.00 174.94 175.38 2bub s ILE 574 N -0.49 4.89 -0.41 2.92 1.01 -0.53 -3.44 121.20 125.15 2bub s ILE 574 Ca 0.05 1.68 -0.13 0.00 0.00 0.00 0.00 60.65 62.25 2bub s ILE 574 Cb -0.06 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.30 2bub s ILE 574 CO 0.00 0.05 0.28 -0.69 0.00 0.00 0.00 174.94 174.58 2bub s VAL 575 N 1.94 4.80 -0.03 2.92 1.01 -1.00 0.39 120.40 130.43 2bub s VAL 575 Ca 0.40 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2bub s VAL 575 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2bub s VAL 575 CO 0.14 -0.38 0.20 0.00 0.00 0.00 0.00 175.10 175.07 2bub s ALA 576 N 1.58 3.90 0.05 5.51 0.00 0.26 0.65 121.76 133.71 2bub s ALA 576 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2bub s ALA 576 Cb -0.21 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2bub s ALA 576 CO 0.07 0.68 -0.09 -1.12 0.00 0.00 0.00 175.76 175.30 2bub s SER 577 N -1.59 1.02 -0.10 0.00 0.01 -0.11 -1.12 113.70 111.80 2bub s SER 577 Ca 0.24 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 56.72 2bub s SER 577 Cb -0.13 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2bub s SER 577 CO 0.14 -0.22 0.39 0.12 0.41 0.00 0.00 173.24 174.08 2bub s PHE 578 N -1.67 -0.37 -0.36 2.43 5.36 -1.26 -1.07 117.98 121.03 2bub s PHE 578 Ca -0.06 0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 56.72 2bub s PHE 578 Cb -0.08 0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.83 2bub s PHE 578 CO 0.00 -0.29 0.13 -0.51 -1.46 0.00 0.00 175.22 173.09 2bub s ASP 579 N -0.33 5.16 0.00 6.13 1.01 -0.96 -4.79 116.67 122.89 2bub s ASP 579 Ca -0.05 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 51.58 2bub s ASP 579 Cb -0.03 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 42.09 2bub s ASP 579 CO 0.02 -0.42 0.00 0.61 0.21 0.00 0.00 175.17 175.59 2bub n GLY 580 N 4.65 1.77 3.79 0.21 0.00 -1.26 -4.31 105.19 110.03 2bub n GLY 580 Ca -0.08 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2bub n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bub s ARG 581 N 4.22 4.37 0.00 1.61 0.52 -1.26 -3.20 118.95 125.21 2bub s ARG 581 Ca 0.00 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 2bub s ARG 581 Cb 0.00 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2bub s ARG 581 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2bub n GLY 582 N 0.32 1.77 3.92 -3.53 0.00 0.84 -4.11 105.19 104.40 2bub n GLY 582 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2bub n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bub s SER 583 N -2.39 3.99 0.40 1.61 1.04 -1.19 0.56 113.70 117.71 2bub s SER 583 Ca 0.00 0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.99 2bub s SER 583 Cb 0.00 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 2bub s SER 583 CO 0.00 -2.19 0.36 -0.83 0.98 0.00 0.00 173.24 171.56 2bub s GLY 584 N -4.70 2.08 -1.52 7.32 0.00 0.18 -3.46 107.32 107.22 2bub s GLY 584 Ca 0.67 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2bub s GLY 584 CO 0.50 -1.68 0.00 -1.72 0.00 0.00 0.00 173.10 170.20 2bub n TYR 585 N -1.51 -0.08 -2.36 1.90 4.01 -1.26 -4.83 117.16 113.02 2bub n TYR 585 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 2bub n TYR 585 Cb 0.61 -2.65 0.05 0.00 -0.31 0.00 0.00 39.34 37.05 2bub n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bub n GLN 586 N -2.56 0.31 0.00 -0.72 6.02 -1.26 -4.49 117.38 114.68 2bub n GLN 586 Ca -0.15 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 2bub n GLN 586 Cb 0.50 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.45 2bub n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bub n GLY 587 N 0.21 0.88 0.25 1.08 0.00 -1.26 -4.66 105.19 101.69 2bub n GLY 587 Ca 0.08 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.53 2bub n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bub h ASP 588 N 0.00 0.00 -0.84 1.61 3.32 -1.23 -2.07 116.42 117.21 2bub h ASP 588 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2bub h ASP 588 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2bub h ASP 588 CO 0.00 0.03 0.40 0.50 -1.72 0.00 0.00 179.24 178.45 2bub h LYS 589 N 0.00 1.22 0.02 3.56 3.64 -1.88 0.61 116.57 123.74 2bub h LYS 589 Ca -0.00 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 2bub h LYS 589 Cb 0.72 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2bub h LYS 589 CO 0.00 0.94 -0.24 0.82 -2.27 0.00 0.00 179.45 178.70 2bub h ILE 590 N 1.20 1.68 0.00 2.00 2.04 -1.77 -3.18 117.51 119.48 2bub h ILE 590 Ca 0.29 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.78 2bub h ILE 590 Cb 0.13 3.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2bub h ILE 590 CO -0.03 0.61 0.00 0.80 0.00 0.00 0.00 178.15 179.52 2bub n MET 591 N -4.51 0.06 -0.12 2.37 1.56 -0.80 -0.11 117.12 115.57 2bub n MET 591 Ca -0.12 0.35 0.04 0.00 -0.27 0.00 0.00 57.70 57.70 2bub n MET 591 Cb 0.56 -1.63 0.10 0.00 2.15 0.00 0.00 33.22 34.40 2bub n MET 591 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 2bub n HIS 592 N -1.75 0.26 0.19 1.12 8.25 0.21 -4.56 115.22 118.94 2bub n HIS 592 Ca 0.02 -0.63 0.06 0.00 -0.26 0.00 0.00 57.72 56.92 2bub n HIS 592 Cb 0.16 -0.09 0.31 0.00 1.12 0.00 0.00 29.99 31.49 2bub n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bub h ALA 593 N 0.83 0.94 -0.01 -1.41 0.00 -1.51 -2.92 119.26 115.18 2bub h ALA 593 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bub h ALA 593 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2bub h ALA 593 CO 0.03 0.44 -0.51 -0.89 0.00 0.00 0.00 179.25 178.32 2bub n ILE 594 N -3.42 0.00 -1.45 0.00 -0.00 -1.26 -4.85 119.36 108.38 2bub n ILE 594 Ca 0.00 -0.10 -0.57 0.00 -0.00 0.00 0.00 62.75 62.09 2bub n ILE 594 Cb 0.53 0.64 -0.08 0.00 -0.00 0.00 0.00 39.64 40.73 2bub n ILE 594 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2bub n ASN 595 N -0.92 0.48 0.00 4.38 5.15 -1.11 0.48 115.26 123.73 2bub n ASN 595 Ca 0.08 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 2bub n ASN 595 Cb 0.37 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 2bub n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2bub n ARG 596 N 2.36 -1.47 -2.17 1.20 1.74 0.39 -4.75 116.66 113.97 2bub n ARG 596 Ca 0.22 0.37 0.01 0.00 -0.77 0.00 0.00 57.85 57.68 2bub n ARG 596 Cb 0.02 -4.74 0.04 0.00 -1.02 0.00 0.00 32.46 26.76 2bub n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bub n ARG 597 N 0.14 1.11 -1.55 5.56 1.74 0.18 -4.89 116.66 118.95 2bub n ARG 597 Ca 0.00 -2.92 -0.41 0.00 -0.77 0.00 0.00 57.85 53.75 2bub n ARG 597 Cb 0.37 -0.99 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 2bub n ARG 597 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2bub n LEU 598 N -0.18 1.57 0.00 0.55 4.77 -1.16 -1.18 117.00 121.37 2bub n LEU 598 Ca 0.09 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 2bub n LEU 598 Cb 0.95 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2bub n LEU 598 CO 0.04 -2.07 0.00 0.61 -1.33 0.00 0.00 177.39 174.64 2bub n GLY 599 N 1.44 0.56 0.00 -0.72 0.00 -1.26 -4.90 105.19 100.31 2bub n GLY 599 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2bub n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bub n THR 600 N -2.88 0.00 -0.05 2.61 -2.24 -0.32 -4.59 114.28 106.80 2bub n THR 600 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2bub n THR 600 Cb 0.00 -0.25 0.22 0.00 -2.10 0.00 0.00 70.33 68.20 2bub n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2bub h PHE 601 N 0.00 0.68 -0.52 4.78 0.04 -1.92 -0.34 116.94 119.67 2bub h PHE 601 Ca 0.00 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2bub h PHE 601 Cb 0.00 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2bub h PHE 601 CO 0.00 0.66 0.21 1.05 -0.60 0.00 0.00 178.31 179.63 2bub h GLU 602 N 0.61 0.74 0.20 1.51 9.09 -1.90 0.18 114.58 125.02 2bub h GLU 602 Ca 0.12 -0.11 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 2bub h GLU 602 Cb 0.41 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2bub h GLU 602 CO 0.02 0.61 -0.10 0.28 0.05 0.00 0.00 179.01 179.87 2bub h VAL 603 N 0.74 0.65 -0.53 -1.06 2.07 -1.74 -3.22 116.25 113.15 2bub h VAL 603 Ca 0.18 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2bub h VAL 603 Cb 0.14 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2bub h VAL 603 CO -0.02 0.17 -0.31 -0.62 0.02 0.00 0.00 177.57 176.81 2bub n GLU 604 N -4.96 -0.23 0.21 1.57 1.02 -0.16 -2.16 120.64 115.93 2bub n GLU 604 Ca -0.07 1.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.96 2bub n GLU 604 Cb 0.25 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 2bub n GLU 604 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2bub h ASP 605 N 0.00 -0.90 -0.57 1.62 3.32 -0.83 -1.99 116.42 117.06 2bub h ASP 605 Ca 0.08 0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.36 2bub h ASP 605 Cb 0.22 0.31 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 2bub h ASP 605 CO -0.50 -0.47 -0.02 0.00 -1.72 0.00 0.00 179.24 176.53 2bub n GLN 606 N -5.45 -0.05 -0.00 3.56 1.13 -0.92 -0.27 117.38 115.39 2bub n GLN 606 Ca -0.09 0.86 -0.13 0.00 -1.94 0.00 0.00 57.00 55.70 2bub n GLN 606 Cb 0.35 -1.35 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 2bub n GLN 606 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2bub h ILE 607 N 0.00 1.34 -0.02 5.09 2.04 -1.21 -2.65 117.51 122.09 2bub h ILE 607 Ca 0.33 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2bub h ILE 607 Cb 0.65 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2bub h ILE 607 CO -0.55 0.29 0.02 -0.33 0.00 0.00 0.00 178.15 177.58 2bub h GLU 608 N -0.54 0.00 -0.34 2.37 4.39 -0.36 0.28 114.58 120.38 2bub h GLU 608 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2bub h GLU 608 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2bub h GLU 608 CO 0.01 0.00 -0.25 0.00 -1.16 0.00 0.00 179.01 177.61 2bub h ALA 609 N 1.99 0.93 -0.10 3.43 0.00 -0.78 0.23 119.26 124.96 2bub h ALA 609 Ca 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2bub h ALA 609 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2bub h ALA 609 CO -0.00 0.61 -0.32 0.00 0.00 0.00 0.00 179.25 179.54 2bub h ALA 610 N 1.14 0.17 -0.84 0.00 0.00 -0.51 0.15 119.26 119.36 2bub h ALA 610 Ca 0.08 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.70 2bub h ALA 610 Cb 0.73 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 2bub h ALA 610 CO 0.06 0.22 -0.34 -0.09 0.00 0.00 0.00 179.25 179.09 2bub h ARG 611 N -0.06 -0.05 -0.36 0.00 2.43 -0.27 0.96 114.38 117.03 2bub h ARG 611 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2bub h ARG 611 Cb 0.95 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2bub h ARG 611 CO 0.07 -0.03 -0.21 1.96 -1.51 0.00 0.00 179.97 180.24 2bub h GLN 612 N -0.05 0.70 -0.69 0.20 4.20 -0.22 -2.81 115.11 116.43 2bub h GLN 612 Ca 0.32 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2bub h GLN 612 Cb 0.59 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2bub h GLN 612 CO -0.88 0.85 0.35 0.74 -0.67 0.00 0.00 178.83 179.23 2bub h PHE 613 N 0.62 0.95 0.00 2.96 0.04 0.12 -2.46 116.94 119.17 2bub h PHE 613 Ca 0.09 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2bub h PHE 613 Cb 0.69 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2bub h PHE 613 CO 0.03 0.68 -0.06 0.66 -0.60 0.00 0.00 178.31 179.02 2bub h SER 614 N 0.97 0.00 0.00 2.17 4.64 -0.84 -2.48 113.55 118.00 2bub h SER 614 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2bub h SER 614 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2bub h SER 614 CO -0.04 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 2bub n LYS 615 N -3.11 0.81 -3.55 4.77 5.02 -0.93 -4.66 118.16 116.51 2bub n LYS 615 Ca 0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 2bub n LYS 615 Cb 0.55 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 2bub n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2bub s MET 616 N -2.00 3.77 0.30 1.97 -1.94 -0.94 -5.01 119.30 115.45 2bub s MET 616 Ca 0.14 0.18 0.24 0.00 -1.71 0.00 0.00 55.69 54.54 2bub s MET 616 Cb 0.06 -2.93 1.10 0.00 2.01 0.00 0.00 34.83 35.07 2bub s MET 616 CO 0.11 0.51 1.73 0.78 -0.01 0.00 0.00 175.02 178.14 2bub h GLY 617 N 3.44 0.00 -1.18 -0.03 0.00 -1.87 -2.74 103.07 100.69 2bub h GLY 617 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2bub h GLY 617 CO 0.68 0.00 -0.08 1.97 0.00 0.00 0.00 176.54 179.11 2bub n PHE 618 N -2.32 0.00 -3.52 5.60 1.16 -1.26 -4.47 117.46 112.65 2bub n PHE 618 Ca 0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.22 2bub n PHE 618 Cb 0.17 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.96 2bub n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2bub s VAL 619 N -1.50 5.28 -0.71 1.97 1.01 -1.04 0.24 120.40 125.65 2bub s VAL 619 Ca 0.18 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 2bub s VAL 619 Cb 0.14 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.92 2bub s VAL 619 CO 0.25 0.31 1.30 -0.62 0.00 0.00 0.00 175.10 176.34 2bub s ASP 620 N 0.96 6.16 0.10 3.32 3.68 -0.31 -4.69 116.67 125.90 2bub s ASP 620 Ca 0.14 -0.33 0.11 0.00 2.13 0.00 0.00 52.55 54.60 2bub s ASP 620 Cb -0.14 -2.56 0.53 0.00 -1.45 0.00 0.00 42.92 39.30 2bub s ASP 620 CO 0.06 -1.81 1.34 -0.46 0.13 0.00 0.00 175.17 174.43 2bub n ASN 621 N 9.40 0.21 -0.04 -0.34 6.94 -1.26 0.14 115.26 130.32 2bub n ASN 621 Ca 0.05 0.58 0.14 0.00 -0.02 0.00 0.00 54.58 55.33 2bub n ASN 621 Cb 0.49 -0.61 0.62 0.00 -2.36 0.00 0.00 39.78 37.92 2bub n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2bub n LYS 622 N -1.76 0.34 -3.19 -3.83 5.02 -1.26 -4.53 118.16 108.95 2bub n LYS 622 Ca 0.01 -0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 2bub n LYS 622 Cb 0.08 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 2bub n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bub n ARG 623 N -1.27 1.17 -4.62 1.97 1.74 0.12 -4.87 116.66 110.90 2bub n ARG 623 Ca 0.11 -3.54 -0.33 0.00 -0.77 0.00 0.00 57.85 53.32 2bub n ARG 623 Cb 0.29 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 2bub n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bub s ILE 624 N -2.05 3.49 0.27 0.55 1.01 -1.26 -1.57 121.20 121.63 2bub s ILE 624 Ca 0.39 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2bub s ILE 624 Cb 0.25 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 2bub s ILE 624 CO -0.09 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.38 2bub s ALA 625 N 0.03 2.09 -0.08 9.38 0.00 0.05 -1.58 121.76 131.66 2bub s ALA 625 Ca -0.02 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.02 2bub s ALA 625 Cb -0.14 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.50 2bub s ALA 625 CO 0.03 -0.23 0.16 -1.50 0.00 0.00 0.00 175.76 174.23 2bub s ILE 626 N -3.30 -0.09 -0.03 0.00 2.07 -1.02 0.67 121.20 119.50 2bub s ILE 626 Ca 0.31 0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.78 2bub s ILE 626 Cb 0.06 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.38 2bub s ILE 626 CO 0.11 0.09 -0.08 -1.66 -1.91 0.00 0.00 174.94 171.49 2bub s TRP 627 N 1.41 0.92 0.06 3.50 1.48 -0.32 -1.25 118.94 124.75 2bub s TRP 627 Ca -0.07 -0.23 -0.07 0.00 -1.06 0.00 0.00 56.10 54.66 2bub s TRP 627 Cb -0.12 -0.67 -0.01 0.00 -1.16 0.00 0.00 33.47 31.52 2bub s TRP 627 CO -0.06 -0.11 0.15 0.20 -4.06 0.00 0.00 176.95 173.07 2bub s GLY 628 N 0.27 0.13 -0.17 3.67 0.00 -1.07 -2.70 107.32 107.47 2bub s GLY 628 Ca -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.09 2bub s GLY 628 CO 0.01 -0.76 -0.14 0.86 0.00 0.00 0.00 173.10 173.06 2bub s TRP 629 N -3.34 2.35 0.00 1.90 -0.11 -1.26 -1.04 118.94 117.44 2bub s TRP 629 Ca 0.01 -1.40 0.00 0.00 1.22 0.00 0.00 56.10 55.93 2bub s TRP 629 Cb 0.03 -1.67 0.00 0.00 -1.50 0.00 0.00 33.47 30.33 2bub s TRP 629 CO -0.08 -0.71 0.00 0.45 -4.62 0.00 0.00 176.95 171.98 2bub n SER 630 N 4.72 0.00 -0.32 5.86 2.88 -0.44 -2.59 113.62 123.73 2bub n SER 630 Ca -0.17 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.67 2bub n SER 630 Cb 0.49 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.61 2bub n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2bub h TYR 631 N 0.00 0.26 -0.43 0.66 5.03 -1.86 0.10 116.97 120.72 2bub h TYR 631 Ca 0.00 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.36 2bub h TYR 631 Cb 0.00 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.17 2bub h TYR 631 CO 0.00 0.01 0.20 0.78 -1.32 0.00 0.00 178.16 177.84 2bub h GLY 632 N 0.15 0.59 2.00 1.82 0.00 -1.54 -0.71 103.07 105.38 2bub h GLY 632 Ca 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2bub h GLY 632 CO -0.13 0.09 -0.03 -1.33 0.00 0.00 0.00 176.54 175.13 2bub h GLY 633 N 0.41 0.00 0.16 4.60 0.00 -0.64 -0.82 103.07 106.78 2bub h GLY 633 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2bub h GLY 633 CO -0.15 0.00 -0.03 -1.82 0.00 0.00 0.00 176.54 174.54 2bub h TYR 634 N 0.00 0.03 -0.46 5.60 3.20 -1.12 -1.36 116.97 122.85 2bub h TYR 634 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2bub h TYR 634 Cb 1.02 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2bub h TYR 634 CO 0.00 0.88 0.11 0.28 -1.64 0.00 0.00 178.16 177.79 2bub h VAL 635 N -0.83 0.77 0.23 1.81 2.07 -1.08 0.16 116.25 119.38 2bub h VAL 635 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2bub h VAL 635 Cb 0.89 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2bub h VAL 635 CO 0.01 0.05 -0.52 0.74 0.02 0.00 0.00 177.57 177.86 2bub h THR 636 N 0.25 0.00 -0.56 2.57 2.02 -1.22 0.70 112.91 116.67 2bub h THR 636 Ca 0.23 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.52 2bub h THR 636 Cb 0.28 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.59 2bub h THR 636 CO -0.28 0.00 -0.11 0.28 0.37 0.00 0.00 175.52 175.78 2bub h SER 637 N -0.83 -0.46 0.13 4.18 0.02 -0.80 0.40 113.55 116.18 2bub h SER 637 Ca -0.02 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2bub h SER 637 Cb 0.79 0.33 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2bub h SER 637 CO -0.22 -0.17 -0.46 0.24 -1.14 0.00 0.00 176.83 175.08 2bub h MET 638 N 0.02 -0.67 0.00 3.45 2.86 0.07 -1.56 114.93 119.10 2bub h MET 638 Ca 0.28 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2bub h MET 638 Cb 0.43 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2bub h MET 638 CO -0.56 -0.45 0.00 0.28 1.06 0.00 0.00 176.91 177.25 2bub n VAL 639 N -5.48 0.96 0.34 -2.22 0.31 0.24 -1.06 118.33 111.43 2bub n VAL 639 Ca -0.08 0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.56 2bub n VAL 639 Cb 0.39 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 2bub n VAL 639 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2bub n LEU 640 N -1.27 0.35 -0.12 7.52 4.77 0.01 -4.19 117.00 124.07 2bub n LEU 640 Ca 0.02 -0.29 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 2bub n LEU 640 Cb 0.02 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2bub n LEU 640 CO 0.02 0.09 0.42 0.61 -1.33 0.00 0.00 177.39 177.20 2bub n GLY 641 N 1.49 0.98 0.31 -0.72 0.00 -0.47 -4.48 105.19 102.30 2bub n GLY 641 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2bub n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bub h SER 642 N 0.45 0.39 -4.20 1.61 4.64 -1.26 -3.41 113.55 111.77 2bub h SER 642 Ca 0.00 0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 2bub h SER 642 Cb 0.34 0.09 0.10 0.00 -0.31 0.00 0.00 62.40 62.62 2bub h SER 642 CO 0.00 0.08 -0.46 0.61 -0.87 0.00 0.00 176.83 176.20 2bub n GLY 643 N -1.33 -0.12 0.11 -0.77 0.00 -1.26 -4.99 105.19 96.82 2bub n GLY 643 Ca 0.20 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2bub n GLY 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bub n SER 644 N -2.32 0.99 0.00 1.61 3.41 -1.26 -4.99 113.62 111.06 2bub n SER 644 Ca -0.11 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2bub n SER 644 Cb 0.58 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2bub n SER 644 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bub n GLY 645 N 1.83 3.00 0.20 5.00 0.00 -1.26 -4.89 105.19 109.06 2bub n GLY 645 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2bub n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bub h VAL 646 N 0.00 0.71 -3.69 1.61 2.07 -1.96 -3.44 116.25 111.56 2bub h VAL 646 Ca 0.00 -0.26 -0.50 0.00 0.82 0.00 0.00 66.70 66.76 2bub h VAL 646 Cb 0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2bub h VAL 646 CO 0.00 0.06 0.31 -0.36 0.02 0.00 0.00 177.57 177.60 2bub s PHE 647 N -5.53 3.96 -0.17 1.57 0.40 -1.26 -4.59 117.98 112.36 2bub s PHE 647 Ca -0.15 1.85 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 2bub s PHE 647 Cb 0.04 -2.94 -0.22 0.00 0.51 0.00 0.00 43.02 40.41 2bub s PHE 647 CO 0.61 0.46 0.17 1.17 0.70 0.00 0.00 175.22 178.33 2bub n LYS 648 N 1.58 0.69 -3.56 0.44 4.81 -0.61 -4.83 118.16 116.68 2bub n LYS 648 Ca -0.03 0.18 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2bub n LYS 648 Cb 0.47 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 33.88 2bub n LYS 648 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bub s GLY 650 N -2.64 0.13 -0.04 0.00 0.00 -1.18 -2.44 107.32 101.16 2bub s GLY 650 Ca 0.06 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.36 2bub s GLY 650 CO -0.07 -0.31 -0.23 -0.42 0.00 0.00 0.00 173.10 172.08 2bub s ILE 651 N -3.94 1.84 -0.26 0.90 1.01 -0.38 -2.48 121.20 117.90 2bub s ILE 651 Ca 0.15 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2bub s ILE 651 Cb -0.03 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 40.95 2bub s ILE 651 CO 0.06 0.52 -0.11 0.00 0.00 0.00 0.00 174.94 175.41 2bub s ALA 652 N -0.30 2.57 -0.39 9.38 0.00 -0.06 -2.59 121.76 130.37 2bub s ALA 652 Ca 0.02 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.08 2bub s ALA 652 Cb -0.11 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.43 2bub s ALA 652 CO 0.01 -1.18 0.29 0.08 0.00 0.00 0.00 175.76 174.96 2bub s VAL 653 N 1.11 5.26 -0.84 0.00 1.01 -0.21 -1.75 120.40 124.99 2bub s VAL 653 Ca -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2bub s VAL 653 Cb -0.20 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2bub s VAL 653 CO -0.05 -0.24 0.70 0.00 0.00 0.00 0.00 175.10 175.51 2bub n ALA 654 N 5.15 -1.41 -2.38 5.51 0.00 -0.23 -1.33 120.51 125.82 2bub n ALA 654 Ca -0.11 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2bub n ALA 654 Cb 0.48 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 2bub n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bub s PRO 655 N -4.95 3.89 1.12 0.00 0.04 -1.26 -3.15 135.00 130.69 2bub s PRO 655 Ca 0.00 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.29 2bub s PRO 655 Cb -0.00 -2.79 0.25 0.00 0.04 0.00 0.00 34.50 32.01 2bub s PRO 655 CO 0.51 0.40 1.05 0.08 0.04 0.00 0.00 177.00 179.08 2bub s VAL 656 N -1.64 1.94 0.00 -0.36 1.01 -1.24 -4.49 120.40 115.61 2bub s VAL 656 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2bub s VAL 656 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2bub s VAL 656 CO 0.20 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.76 2bub n SER 657 N -4.65 0.00 -3.75 3.32 3.41 -1.26 -4.32 113.62 106.36 2bub n SER 657 Ca 0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2bub n SER 657 Cb 0.56 0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 64.40 2bub n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bub s ARG 658 N -1.35 -0.03 0.57 4.33 3.52 -1.26 -0.69 118.95 124.05 2bub s ARG 658 Ca 0.00 0.23 0.35 0.00 -0.13 0.00 0.00 55.73 56.18 2bub s ARG 658 Cb 0.00 -0.33 1.62 0.00 -1.56 0.00 0.00 34.95 34.68 2bub s ARG 658 CO 0.00 -0.21 2.08 -1.49 -0.81 0.00 0.00 175.30 174.87 2bub h TRP 659 N 7.58 0.00 0.00 5.12 4.06 -1.80 -1.34 115.95 129.56 2bub h TRP 659 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2bub h TRP 659 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2bub h TRP 659 CO 0.50 0.02 0.00 0.39 -3.56 0.00 0.00 178.44 175.79 2bub n GLU 660 N -3.15 0.06 0.00 0.49 4.71 -1.26 -2.23 120.64 119.26 2bub n GLU 660 Ca -0.01 0.37 0.13 0.00 -0.01 0.00 0.00 57.16 57.64 2bub n GLU 660 Cb 0.25 -1.63 0.34 0.00 -1.01 0.00 0.00 31.44 29.39 2bub n GLU 660 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2bub n TYR 661 N -1.74 0.00 -3.43 -0.32 4.01 -0.51 -3.87 117.16 111.31 2bub n TYR 661 Ca 0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.54 2bub n TYR 661 Cb 0.14 -0.27 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2bub n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2bub s TYR 662 N -2.92 1.97 0.58 -0.72 5.04 -0.95 -4.83 117.35 115.52 2bub s TYR 662 Ca 0.14 -0.66 -0.17 0.00 -2.44 0.00 0.00 57.07 53.94 2bub s TYR 662 Cb 0.18 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 2bub s TYR 662 CO 0.64 -0.60 1.07 0.16 -1.34 0.00 0.00 175.55 175.49 2bub s ASP 663 N -4.38 5.74 0.11 4.32 1.47 -1.26 -0.38 116.67 122.29 2bub s ASP 663 Ca 0.49 1.92 -0.16 0.00 1.18 0.00 0.00 52.55 55.99 2bub s ASP 663 Cb -0.04 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.94 2bub s ASP 663 CO 0.30 -1.20 1.53 0.77 0.68 0.00 0.00 175.17 177.25 2bub h SER 664 N 0.67 0.61 0.39 2.11 4.64 -1.59 -2.51 113.55 117.87 2bub h SER 664 Ca -0.48 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.50 2bub h SER 664 Cb 1.23 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2bub h SER 664 CO 0.57 0.80 -0.28 0.58 -0.87 0.00 0.00 176.83 177.63 2bub h VAL 665 N 0.41 0.42 0.48 0.95 2.07 -1.93 0.96 116.25 119.61 2bub h VAL 665 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2bub h VAL 665 Cb 0.51 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2bub h VAL 665 CO 0.02 0.00 -0.23 0.22 0.02 0.00 0.00 177.57 177.60 2bub h TYR 666 N -0.66 -0.60 0.18 1.57 5.03 -1.92 -3.03 116.97 117.54 2bub h TYR 666 Ca -0.04 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.27 2bub h TYR 666 Cb 0.56 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.00 2bub h TYR 666 CO -0.12 -0.28 -0.30 1.15 -1.32 0.00 0.00 178.16 177.29 2bub h THR 667 N -0.98 0.35 0.00 1.81 2.02 -1.49 -2.80 112.91 111.82 2bub h THR 667 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2bub h THR 667 Cb 0.59 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2bub h THR 667 CO 0.11 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.66 2bub h GLU 668 N -0.56 0.00 -0.14 6.66 5.08 -0.89 0.43 114.58 125.16 2bub h GLU 668 Ca 0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2bub h GLU 668 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2bub h GLU 668 CO -0.14 0.01 0.11 -0.09 -1.00 0.00 0.00 179.01 177.90 2bub h ARG 669 N 0.00 0.00 0.00 2.33 2.43 -1.36 -2.87 114.38 114.91 2bub h ARG 669 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2bub h ARG 669 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2bub h ARG 669 CO 0.00 0.00 -1.19 0.66 -1.51 0.00 0.00 179.97 177.93 2bub n TYR 670 N -4.25 0.00 0.05 2.20 4.01 0.13 -4.60 117.16 114.70 2bub n TYR 670 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2bub n TYR 670 Cb 0.23 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 2bub n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2bub n MET 671 N -2.07 0.88 0.00 -0.72 2.81 -0.17 0.15 117.12 118.00 2bub n MET 671 Ca -0.04 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2bub n MET 671 Cb 0.56 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 2bub n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bub n GLY 672 N 1.93 0.40 3.34 3.03 0.00 -1.08 -4.73 105.19 108.07 2bub n GLY 672 Ca -0.01 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2bub n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bub s LEU 673 N 0.00 2.63 -0.48 0.99 1.43 -1.26 -4.26 118.68 117.73 2bub s LEU 673 Ca 0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2bub s LEU 673 Cb 0.00 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2bub s LEU 673 CO 0.00 0.15 1.64 -0.81 0.23 0.00 0.00 176.35 177.56 2bub n PRO 674 N 3.65 1.17 -4.26 1.29 -0.04 -1.26 -2.11 135.00 133.43 2bub n PRO 674 Ca -0.18 -0.98 -0.21 0.00 -0.04 0.00 0.00 63.50 62.09 2bub n PRO 674 Cb 0.53 -2.19 -0.12 0.00 -0.04 0.00 0.00 33.50 31.67 2bub n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bub s THR 675 N 3.85 1.52 0.31 0.52 -4.23 -1.26 -4.61 115.64 111.73 2bub s THR 675 Ca 0.23 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2bub s THR 675 Cb 0.07 -1.50 0.27 0.00 1.34 0.00 0.00 72.50 72.68 2bub s THR 675 CO -0.02 -0.22 1.95 -0.65 -0.54 0.00 0.00 174.62 175.14 2bub h PRO 676 N 3.84 1.02 0.00 3.99 0.11 -1.95 0.13 132.00 139.14 2bub h PRO 676 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bub h PRO 676 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2bub h PRO 676 CO 0.44 0.67 0.00 0.39 -0.21 0.00 0.00 178.00 179.29 2bub n GLU 677 N -4.45 0.98 0.00 1.05 4.71 -1.26 -4.51 120.64 117.16 2bub n GLU 677 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 2bub n GLU 677 Cb 0.11 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2bub n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2bub n ASP 678 N -0.62 0.00 -0.70 1.62 -0.08 0.26 -5.07 116.55 111.96 2bub n ASP 678 Ca 0.06 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.34 2bub n ASP 678 Cb 0.03 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.49 2bub n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2bub n ASN 679 N -0.22 0.15 0.25 1.67 4.05 -0.08 -4.81 115.26 116.27 2bub n ASN 679 Ca 0.00 -1.88 0.11 0.00 0.45 0.00 0.00 54.58 53.25 2bub n ASN 679 Cb 0.00 -0.18 0.72 0.00 1.23 0.00 0.00 39.78 41.55 2bub n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2bub h LEU 680 N 0.18 0.00 -0.24 1.20 5.85 -1.41 -2.60 115.31 118.30 2bub h LEU 680 Ca -0.06 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2bub h LEU 680 Cb 1.44 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 2bub h LEU 680 CO 0.01 0.00 -0.20 0.44 -0.34 0.00 0.00 178.44 178.35 2bub h ASP 681 N 0.00 -0.64 -0.22 1.25 5.19 -1.87 -1.40 116.42 118.72 2bub h ASP 681 Ca 0.02 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2bub h ASP 681 Cb 0.07 0.31 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2bub h ASP 681 CO -0.00 -0.24 0.00 1.57 -3.12 0.00 0.00 179.24 177.45 2bub n HIS 682 N -5.35 0.28 0.05 4.55 -0.00 -1.19 -2.37 115.22 111.20 2bub n HIS 682 Ca -0.01 -0.14 -0.04 0.00 0.46 0.00 0.00 57.72 57.99 2bub n HIS 682 Cb 0.26 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.30 2bub n HIS 682 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2bub h TYR 683 N 3.27 0.43 0.07 1.57 -1.99 -0.95 -3.25 116.97 116.12 2bub h TYR 683 Ca 0.00 -0.12 -0.29 0.00 2.00 0.00 0.00 58.73 60.32 2bub h TYR 683 Cb 0.71 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.33 2bub h TYR 683 CO 0.14 0.73 -1.51 -0.09 -0.00 0.00 0.00 178.16 177.44 2bub h ARG 684 N 0.30 0.15 0.00 4.88 2.43 -1.30 -3.34 114.38 117.50 2bub h ARG 684 Ca 0.02 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2bub h ARG 684 Cb 0.88 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2bub h ARG 684 CO 0.07 0.95 -0.10 -0.97 -1.51 0.00 0.00 179.97 178.41 2bub h ASN 685 N 0.04 0.00 -2.23 -3.80 -0.73 -1.56 -3.38 115.58 103.92 2bub h ASN 685 Ca -0.22 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.36 2bub h ASN 685 Cb 1.97 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 40.14 2bub h ASN 685 CO 0.13 0.10 -0.68 -1.54 -0.37 0.00 0.00 177.43 175.07 2bub n SER 686 N -3.25 3.89 -4.26 1.15 3.41 -1.23 -5.04 113.62 108.29 2bub n SER 686 Ca 0.00 -3.54 -0.31 0.00 -0.26 0.00 0.00 58.87 54.76 2bub n SER 686 Cb 0.35 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 2bub n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bub s THR 687 N -3.66 2.00 0.28 6.66 -4.23 -1.26 -4.55 115.64 110.87 2bub s THR 687 Ca 0.45 -1.05 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2bub s THR 687 Cb 0.24 -1.69 0.41 0.00 1.34 0.00 0.00 72.50 72.81 2bub s THR 687 CO -0.10 0.56 1.58 0.58 -0.54 0.00 0.00 174.62 176.70 2bub h VAL 688 N 4.97 0.07 -0.81 2.29 2.07 -1.24 -2.75 116.25 120.85 2bub h VAL 688 Ca -0.34 -0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.36 2bub h VAL 688 Cb 1.17 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 2bub h VAL 688 CO 0.47 0.00 0.29 0.24 0.02 0.00 0.00 177.57 178.59 2bub h MET 689 N 0.01 0.35 0.00 1.57 2.07 -1.91 -1.86 114.93 115.17 2bub h MET 689 Ca 0.49 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 58.10 2bub h MET 689 Cb 0.83 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 2bub h MET 689 CO -0.93 0.23 0.00 -1.13 1.07 0.00 0.00 176.91 176.15 2bub n SER 690 N -5.08 0.00 -1.46 1.22 3.41 -1.04 -2.63 113.62 108.04 2bub n SER 690 Ca 0.18 -0.36 -0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2bub n SER 690 Cb 0.53 -0.08 0.27 0.00 -0.26 0.00 0.00 64.21 64.68 2bub n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bub n ARG 691 N -1.08 3.11 -0.11 4.33 1.74 -0.70 -4.72 116.66 119.23 2bub n ARG 691 Ca 0.11 -3.03 -0.05 0.00 -0.77 0.00 0.00 57.85 54.11 2bub n ARG 691 Cb 0.08 -2.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.51 2bub n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bub h ALA 692 N 2.07 0.23 0.00 7.54 0.00 -1.68 -1.76 119.26 125.66 2bub h ALA 692 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2bub h ALA 692 Cb 1.90 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2bub h ALA 692 CO 0.49 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2bub n GLU 693 N -5.29 0.10 -0.04 0.00 -0.58 -1.26 -1.26 120.64 112.31 2bub n GLU 693 Ca 0.01 0.58 0.12 0.00 -0.42 0.00 0.00 57.16 57.46 2bub n GLU 693 Cb 0.21 -1.82 0.30 0.00 -0.57 0.00 0.00 31.44 29.56 2bub n GLU 693 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2bub n ASN 694 N -2.03 2.35 -0.01 1.62 3.02 -0.66 -4.13 115.26 115.42 2bub n ASN 694 Ca -0.01 -1.78 0.14 0.00 -0.03 0.00 0.00 54.58 52.90 2bub n ASN 694 Cb 0.03 -0.05 0.57 0.00 -0.61 0.00 0.00 39.78 39.72 2bub n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2bub n PHE 695 N 0.81 0.00 0.41 3.10 3.01 -0.39 -3.08 117.46 121.32 2bub n PHE 695 Ca 0.17 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.76 2bub n PHE 695 Cb 0.48 -0.41 0.50 0.00 -0.01 0.00 0.00 39.48 40.03 2bub n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2bub h LYS 696 N 0.04 0.00 -0.00 -1.08 1.57 -1.77 -2.89 116.57 112.44 2bub h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bub h LYS 696 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2bub h LYS 696 CO 0.00 0.00 -0.14 1.04 -0.57 0.00 0.00 179.45 179.78 2bub n GLN 697 N -2.41 0.56 -4.16 3.15 6.02 -1.18 -4.93 117.38 114.43 2bub n GLN 697 Ca 0.03 -0.20 -0.11 0.00 -0.01 0.00 0.00 57.00 56.70 2bub n GLN 697 Cb 0.29 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 2bub n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2bub s VAL 698 N -2.58 0.03 -0.45 5.09 -7.23 -1.09 -4.87 120.40 109.29 2bub s VAL 698 Ca 0.25 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 2bub s VAL 698 Cb 0.20 -2.35 0.10 0.00 0.56 0.00 0.00 36.38 34.88 2bub s VAL 698 CO 0.50 -0.11 0.31 -1.61 -0.31 0.00 0.00 175.10 173.88 2bub s GLU 699 N -4.12 2.60 -0.04 4.82 2.02 -1.14 -4.96 118.70 117.88 2bub s GLU 699 Ca 0.34 -1.57 -0.17 0.00 0.02 0.00 0.00 54.97 53.58 2bub s GLU 699 Cb 0.06 -3.88 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 2bub s GLU 699 CO 0.09 -1.06 0.48 -0.47 0.02 0.00 0.00 175.26 174.32 2bub s TYR 700 N 1.42 3.64 -0.31 1.61 5.04 -1.26 -3.07 117.35 124.42 2bub s TYR 700 Ca 0.04 1.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.69 2bub s TYR 700 Cb -0.25 -2.47 0.09 0.00 0.35 0.00 0.00 41.96 39.69 2bub s TYR 700 CO 0.01 0.39 0.04 -1.17 -1.34 0.00 0.00 175.55 173.49 2bub s LEU 701 N -0.22 3.37 0.06 6.97 2.96 -1.03 -0.96 118.68 129.83 2bub s LEU 701 Ca 0.26 -1.75 0.03 0.00 -0.22 0.00 0.00 54.13 52.44 2bub s LEU 701 Cb -0.16 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2bub s LEU 701 CO 0.13 -0.36 0.06 -0.22 -1.32 0.00 0.00 176.35 174.64 2bub s LEU 702 N 1.27 3.75 -0.13 -0.68 2.96 -0.18 -0.88 118.68 124.78 2bub s LEU 702 Ca 0.07 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.85 2bub s LEU 702 Cb -0.18 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.17 2bub s LEU 702 CO -0.14 0.20 0.36 -0.63 -1.32 0.00 0.00 176.35 174.82 2bub s ILE 703 N -1.32 -0.00 0.05 6.68 1.01 -0.72 -1.04 121.20 125.87 2bub s ILE 703 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.67 2bub s ILE 703 Cb -0.12 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 41.91 2bub s ILE 703 CO 0.19 0.00 0.59 -2.28 0.00 0.00 0.00 174.94 173.44 2bub s HIS 704 N 0.23 -0.52 -0.07 3.97 2.46 -0.93 -1.07 115.29 119.37 2bub s HIS 704 Ca -0.00 0.61 -0.11 0.00 0.47 0.00 0.00 55.06 56.03 2bub s HIS 704 Cb -0.03 0.43 -0.05 0.00 -0.13 0.00 0.00 32.58 32.80 2bub s HIS 704 CO 0.00 -0.70 0.27 0.20 -2.47 0.00 0.00 174.74 172.04 2bub s GLY 705 N -2.00 2.31 0.24 1.59 0.00 -1.26 -1.17 107.32 107.03 2bub s GLY 705 Ca -0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 2bub s GLY 705 CO -0.02 -0.11 1.91 -0.91 0.00 0.00 0.00 173.10 173.96 2bub h THR 706 N 3.88 1.25 -0.04 0.90 1.35 -1.44 -3.05 112.91 115.77 2bub h THR 706 Ca -0.53 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2bub h THR 706 Cb 1.22 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2bub h THR 706 CO 0.60 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 2bub n ALA 707 N -2.38 2.61 -1.47 6.62 0.00 -0.85 -4.69 120.51 120.35 2bub n ALA 707 Ca 0.11 -0.33 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 2bub n ALA 707 Cb 0.03 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2bub n ALA 707 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bub n ASP 708 N -0.31 0.98 0.08 0.00 -0.08 -1.10 -4.61 116.55 111.50 2bub n ASP 708 Ca 0.19 0.14 0.13 0.00 -1.51 0.00 0.00 54.79 53.73 2bub n ASP 708 Cb 0.23 -1.09 0.33 0.00 2.34 0.00 0.00 41.12 42.93 2bub n ASP 708 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2bub n ASP 709 N 11.12 0.70 -0.01 1.67 5.75 -1.26 -4.16 116.55 130.35 2bub n ASP 709 Ca 0.56 0.37 -0.00 0.00 -0.01 0.00 0.00 54.79 55.71 2bub n ASP 709 Cb 0.15 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2bub n ASP 709 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2bub h ASN 710 N 0.00 0.00 -3.61 -1.12 -0.00 -1.98 -3.43 115.58 105.43 2bub h ASN 710 Ca 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 56.30 55.60 2bub h ASN 710 Cb 0.71 0.00 -0.26 0.00 -0.00 0.00 0.00 38.32 38.77 2bub h ASN 710 CO 0.00 0.06 -0.55 -0.69 -0.00 0.00 0.00 177.43 176.25 2bub s VAL 711 N -1.07 4.30 0.05 2.57 1.01 -1.26 -4.85 120.40 121.15 2bub s VAL 711 Ca -0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2bub s VAL 711 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2bub s VAL 711 CO 0.00 -0.22 1.14 -1.00 0.00 0.00 0.00 175.10 175.02 2bub s HIS 712 N 1.50 3.50 0.00 5.22 3.76 -1.26 -4.78 115.29 123.23 2bub s HIS 712 Ca 0.01 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2bub s HIS 712 Cb -0.19 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.16 2bub s HIS 712 CO 0.05 -0.93 0.00 0.34 -0.85 0.00 0.00 174.74 173.35 2bub n PHE 713 N 3.85 0.00 -0.22 1.40 7.35 -1.26 0.11 117.46 128.68 2bub n PHE 713 Ca 0.08 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2bub n PHE 713 Cb 0.47 -0.41 0.02 0.00 0.35 0.00 0.00 39.48 39.91 2bub n PHE 713 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2bub h GLN 714 N 0.00 -0.12 -0.62 -4.13 4.15 -1.96 0.22 115.11 112.65 2bub h GLN 714 Ca 0.00 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.55 2bub h GLN 714 Cb 0.00 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 27.60 2bub h GLN 714 CO 0.00 -0.08 -0.14 1.96 -1.93 0.00 0.00 178.83 178.64 2bub h GLN 715 N -0.13 0.01 -0.20 1.69 1.08 0.42 0.29 115.11 118.27 2bub h GLN 715 Ca 0.26 -0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.25 2bub h GLN 715 Cb 0.55 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2bub h GLN 715 CO -0.70 0.01 -0.68 0.77 -0.95 0.00 0.00 178.83 177.28 2bub h SER 716 N 0.01 0.91 -0.40 1.46 0.02 -1.02 -2.86 113.55 111.67 2bub h SER 716 Ca 0.30 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2bub h SER 716 Cb 0.46 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2bub h SER 716 CO -0.63 1.34 0.20 0.00 -1.14 0.00 0.00 176.83 176.61 2bub h ALA 717 N 0.66 0.51 -0.41 3.77 0.00 0.11 0.60 119.26 124.50 2bub h ALA 717 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bub h ALA 717 Cb 1.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2bub h ALA 717 CO 0.14 0.06 0.28 1.96 0.00 0.00 0.00 179.25 181.69 2bub h GLN 718 N 0.51 0.30 -0.17 0.00 1.08 -0.57 -1.17 115.11 115.09 2bub h GLN 718 Ca 0.14 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2bub h GLN 718 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2bub h GLN 718 CO -0.02 0.20 0.08 0.82 -0.95 0.00 0.00 178.83 178.96 2bub h ILE 719 N 0.30 1.13 -0.31 2.54 2.04 0.39 -2.80 117.51 120.80 2bub h ILE 719 Ca 0.18 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 2bub h ILE 719 Cb 0.33 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2bub h ILE 719 CO -0.04 0.12 -0.32 0.77 0.00 0.00 0.00 178.15 178.68 2bub h SER 720 N 0.14 0.71 0.13 1.72 4.64 -0.59 -2.14 113.55 118.16 2bub h SER 720 Ca 0.06 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2bub h SER 720 Cb 0.12 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2bub h SER 720 CO -0.01 0.98 -0.13 0.50 -0.87 0.00 0.00 176.83 177.30 2bub h LYS 721 N 0.58 -0.27 -0.05 4.77 3.64 -1.15 0.14 116.57 124.22 2bub h LYS 721 Ca 0.06 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2bub h LYS 721 Cb 0.83 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 2bub h LYS 721 CO 0.07 -0.18 -0.30 0.00 -2.27 0.00 0.00 179.45 176.76 2bub h ALA 722 N 0.56 -0.40 -0.85 5.00 0.00 -1.45 0.23 119.26 122.35 2bub h ALA 722 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2bub h ALA 722 Cb 0.27 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2bub h ALA 722 CO -0.03 -0.80 0.49 -0.07 0.00 0.00 0.00 179.25 178.84 2bub h LEU 723 N -0.42 0.71 -0.79 0.00 3.38 -1.06 -0.90 115.31 116.22 2bub h LEU 723 Ca 0.08 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2bub h LEU 723 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2bub h LEU 723 CO -0.29 0.40 -0.02 0.58 0.09 0.00 0.00 178.44 179.19 2bub h VAL 724 N 0.82 1.25 0.00 1.22 2.07 -0.01 -0.67 116.25 120.93 2bub h VAL 724 Ca 0.41 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2bub h VAL 724 Cb 0.39 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2bub h VAL 724 CO -0.25 0.39 -0.33 0.44 0.02 0.00 0.00 177.57 177.83 2bub h ASP 725 N 0.82 0.00 -0.20 0.57 5.19 0.78 -2.62 116.42 120.95 2bub h ASP 725 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2bub h ASP 725 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2bub h ASP 725 CO 0.03 0.33 0.00 0.55 -3.12 0.00 0.00 179.24 177.03 2bub n VAL 726 N -3.60 0.34 0.00 -1.35 3.14 -0.76 -5.00 118.33 111.10 2bub n VAL 726 Ca -0.01 -0.67 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2bub n VAL 726 Cb 0.46 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 2bub n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bub n GLY 727 N 1.04 1.02 3.83 7.55 0.00 -0.78 -4.95 105.19 112.90 2bub n GLY 727 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2bub n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bub s VAL 728 N -2.00 4.76 0.00 1.61 1.01 -0.33 -5.01 120.40 120.45 2bub s VAL 728 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 2bub s VAL 728 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2bub s VAL 728 CO 0.00 0.27 0.36 -0.62 0.00 0.00 0.00 175.10 175.11 2bub s ASP 729 N -1.63 6.69 0.02 3.32 2.15 -1.26 -4.58 116.67 121.38 2bub s ASP 729 Ca 0.38 0.83 -0.29 0.00 0.43 0.00 0.00 52.55 53.90 2bub s ASP 729 Cb -0.16 -2.20 0.10 0.00 -0.30 0.00 0.00 42.92 40.36 2bub s ASP 729 CO 0.20 0.30 1.07 0.72 -0.17 0.00 0.00 175.17 177.29 2bub s PHE 730 N -1.16 -0.15 0.11 -5.34 -0.71 -1.26 -4.61 117.98 104.86 2bub s PHE 730 Ca 0.25 -0.02 0.09 0.00 -1.04 0.00 0.00 56.93 56.21 2bub s PHE 730 Cb -0.15 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 2bub s PHE 730 CO 0.13 -0.51 -0.20 -1.14 -1.34 0.00 0.00 175.22 172.15 2bub s GLN 731 N -2.88 1.74 0.01 1.99 2.00 -0.13 -5.03 119.66 117.36 2bub s GLN 731 Ca 0.11 -1.18 -0.12 0.00 -2.00 0.00 0.00 55.36 52.17 2bub s GLN 731 Cb 0.00 -2.07 0.01 0.00 0.80 0.00 0.00 33.01 31.76 2bub s GLN 731 CO -0.03 0.48 0.24 0.00 -0.50 0.00 0.00 175.29 175.48 2bub s ALA 732 N -1.08 -0.57 -0.26 1.58 0.00 -1.26 -1.01 121.76 119.17 2bub s ALA 732 Ca 0.16 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 2bub s ALA 732 Cb -0.10 0.15 0.14 0.00 0.00 0.00 0.00 23.12 23.31 2bub s ALA 732 CO 0.08 -0.28 0.49 1.41 0.00 0.00 0.00 175.76 177.46 2bub s MET 733 N -1.73 0.44 0.47 0.00 0.00 -0.21 -4.95 119.30 113.32 2bub s MET 733 Ca -0.11 0.92 -0.09 0.00 0.00 0.00 0.00 55.69 56.40 2bub s MET 733 Cb -0.05 0.20 -0.05 0.00 0.00 0.00 0.00 34.83 34.93 2bub s MET 733 CO 0.01 -0.48 0.83 1.67 0.00 0.00 0.00 175.02 177.05 2bub s TRP 734 N 2.70 3.52 -0.37 4.11 -2.14 -1.26 -2.19 118.94 123.32 2bub s TRP 734 Ca 0.09 1.04 0.00 0.00 2.66 0.00 0.00 56.10 59.89 2bub s TRP 734 Cb -0.14 -2.47 0.12 0.00 -3.10 0.00 0.00 33.47 27.89 2bub s TRP 734 CO -0.17 -0.26 0.18 0.71 -2.66 0.00 0.00 176.95 174.75 2bub s TYR 735 N -2.61 1.43 0.14 1.66 2.02 -0.31 -4.92 117.35 114.75 2bub s TYR 735 Ca 0.51 -1.89 -0.31 0.00 -0.37 0.00 0.00 57.07 55.01 2bub s TYR 735 Cb -0.10 -1.50 -0.10 0.00 -0.40 0.00 0.00 41.96 39.86 2bub s TYR 735 CO 0.38 -0.83 1.60 0.95 -1.57 0.00 0.00 175.55 176.09 2bub s THR 736 N 1.04 2.71 0.00 -0.71 -4.23 -1.26 -1.52 115.64 111.67 2bub s THR 736 Ca 0.15 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2bub s THR 736 Cb -0.21 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.34 2bub s THR 736 CO -0.09 0.02 0.00 0.47 -0.54 0.00 0.00 174.62 174.48 2bub n ASP 737 N 4.40 0.00 -4.77 3.99 9.92 -1.26 -4.84 116.55 123.99 2bub n ASP 737 Ca 0.14 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.00 2bub n ASP 737 Cb 0.39 -0.20 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 2bub n ASP 737 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2bub s GLU 738 N 0.00 4.24 0.00 -1.24 0.41 -0.57 -4.40 118.70 117.13 2bub s GLU 738 Ca 0.00 2.33 0.00 0.00 -0.41 0.00 0.00 54.97 56.89 2bub s GLU 738 Cb 0.00 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2bub s GLU 738 CO 0.00 -0.33 0.00 -0.40 -0.49 0.00 0.00 175.26 174.04 2bub n ASP 739 N 0.62 0.00 0.12 -0.19 5.68 -1.26 -2.01 116.55 119.50 2bub n ASP 739 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 2bub n ASP 739 Cb 0.41 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.57 2bub n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2bub h HIS 740 N 0.00 0.16 -0.02 2.11 -0.00 -1.91 -2.96 115.15 112.54 2bub h HIS 740 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2bub h HIS 740 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 2bub h HIS 740 CO 0.00 0.65 -0.25 0.41 -0.00 0.00 0.00 177.93 178.75 2bub n GLY 741 N 0.12 0.02 3.93 5.26 0.00 -1.26 -4.96 105.19 108.30 2bub n GLY 741 Ca -0.02 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2bub n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bub n ILE 742 N 0.08 -2.66 -0.29 -0.61 5.41 -1.12 -4.86 119.36 115.33 2bub n ILE 742 Ca 0.13 -0.33 0.09 0.00 1.00 0.00 0.00 62.75 63.64 2bub n ILE 742 Cb 0.44 -2.31 0.24 0.00 -0.71 0.00 0.00 39.64 37.30 2bub n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bub n ALA 743 N -3.87 2.30 -2.69 -1.39 0.00 -1.26 -3.71 120.51 109.88 2bub n ALA 743 Ca -0.19 -1.24 -0.41 0.00 0.00 0.00 0.00 53.44 51.60 2bub n ALA 743 Cb 0.58 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 2bub n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bub s SER 744 N -1.01 7.07 0.24 0.00 1.04 -1.26 -4.83 113.70 114.95 2bub s SER 744 Ca 0.36 1.30 -0.06 0.00 0.48 0.00 0.00 55.95 58.04 2bub s SER 744 Cb 0.19 -2.48 0.41 0.00 0.10 0.00 0.00 66.02 64.25 2bub s SER 744 CO 0.24 -0.31 1.30 -1.54 0.98 0.00 0.00 173.24 173.91 2bub n SER 745 N 4.64 -0.28 0.02 7.02 3.41 -1.26 0.90 113.62 128.07 2bub n SER 745 Ca 0.04 1.43 -0.05 0.00 -0.26 0.00 0.00 58.87 60.03 2bub n SER 745 Cb 0.50 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 64.17 2bub n SER 745 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2bub h THR 746 N 0.00 1.29 0.08 6.66 1.35 -1.98 -0.69 112.91 119.62 2bub h THR 746 Ca 0.41 -1.46 -0.25 0.00 -0.55 0.00 0.00 66.41 64.56 2bub h THR 746 Cb 0.66 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2bub h THR 746 CO -0.85 0.46 -1.02 0.00 -0.25 0.00 0.00 175.52 173.85 2bub h ALA 747 N 1.23 0.01 -0.38 6.62 0.00 0.18 -0.01 119.26 126.90 2bub h ALA 747 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.31 2bub h ALA 747 Cb 0.81 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2bub h ALA 747 CO 0.07 0.57 -0.46 1.25 0.00 0.00 0.00 179.25 180.68 2bub h HIS 748 N 0.13 -1.35 -0.70 0.00 2.76 -0.82 -0.34 115.15 114.82 2bub h HIS 748 Ca -0.15 0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2bub h HIS 748 Cb 1.72 0.64 -0.04 0.00 1.55 0.00 0.00 27.41 31.28 2bub h HIS 748 CO 0.13 -0.46 0.46 1.96 -1.30 0.00 0.00 177.93 178.73 2bub h GLN 749 N -0.36 0.79 0.00 5.26 4.20 -0.97 -2.54 115.11 121.49 2bub h GLN 749 Ca 0.12 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2bub h GLN 749 Cb 0.59 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2bub h GLN 749 CO -0.57 0.52 -0.31 1.25 -0.67 0.00 0.00 178.83 179.06 2bub h HIS 750 N 0.81 0.00 0.00 2.96 2.76 0.61 -1.85 115.15 120.43 2bub h HIS 750 Ca 0.29 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.15 2bub h HIS 750 Cb 0.13 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2bub h HIS 750 CO -0.00 0.31 -1.71 1.51 -1.30 0.00 0.00 177.93 176.74 2bub n ILE 751 N -3.31 1.53 -0.23 6.26 3.06 -0.43 -2.24 119.36 124.00 2bub n ILE 751 Ca 0.01 -0.15 0.13 0.00 -2.50 0.00 0.00 62.75 60.25 2bub n ILE 751 Cb 0.55 -2.00 0.42 0.00 0.54 0.00 0.00 39.64 39.16 2bub n ILE 751 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 2bub h TYR 752 N -1.00 0.69 -0.25 9.51 0.05 -1.60 0.78 116.97 125.16 2bub h TYR 752 Ca -0.46 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.29 2bub h TYR 752 Cb 1.39 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 2bub h TYR 752 CO 0.01 0.26 -0.07 1.15 -1.05 0.00 0.00 178.16 178.46 2bub h THR 753 N 0.59 1.19 0.19 -2.88 2.02 -1.37 -0.50 112.91 112.15 2bub h THR 753 Ca 0.42 -0.79 -0.31 0.00 0.77 0.00 0.00 66.41 66.50 2bub h THR 753 Cb 0.77 1.08 0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2bub h THR 753 CO -0.17 0.26 -1.45 -0.74 0.37 0.00 0.00 175.52 173.79 2bub h HIS 754 N 0.37 0.74 -0.49 3.16 -0.00 0.10 -2.89 115.15 116.13 2bub h HIS 754 Ca 0.08 -0.54 -0.01 0.00 -0.00 0.00 0.00 60.37 59.90 2bub h HIS 754 Cb 0.36 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 2bub h HIS 754 CO 0.01 1.56 0.27 0.52 -0.00 0.00 0.00 177.93 180.29 2bub h MET 755 N -0.03 0.68 -0.31 5.26 2.07 0.41 -2.34 114.93 120.66 2bub h MET 755 Ca -0.27 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.23 2bub h MET 755 Cb 1.99 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 31.57 2bub h MET 755 CO 0.19 0.50 -0.06 0.77 1.07 0.00 0.00 176.91 179.38 2bub h SER 756 N 0.68 0.59 -0.41 1.22 0.02 -1.08 -2.07 113.55 112.52 2bub h SER 756 Ca 0.18 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2bub h SER 756 Cb 0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2bub h SER 756 CO -0.03 0.81 0.04 0.45 -1.14 0.00 0.00 176.83 176.96 2bub h HIS 757 N 0.37 0.81 -0.20 3.45 3.86 -1.30 -1.84 115.15 120.30 2bub h HIS 757 Ca 0.08 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2bub h HIS 757 Cb 0.54 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2bub h HIS 757 CO 0.05 0.73 0.12 0.35 0.86 0.00 0.00 177.93 180.04 2bub h PHE 758 N 0.73 0.23 -0.25 2.45 3.04 -1.32 -1.77 116.94 120.05 2bub h PHE 758 Ca 0.15 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 2bub h PHE 758 Cb 0.38 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2bub h PHE 758 CO 0.02 0.14 -0.10 0.82 -2.02 0.00 0.00 178.31 177.17 2bub h ILE 759 N 0.25 1.30 -0.25 1.41 1.08 -1.21 0.11 117.51 120.19 2bub h ILE 759 Ca 0.08 -1.16 0.06 0.00 -0.39 0.00 0.00 64.86 63.45 2bub h ILE 759 Cb -0.02 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 2bub h ILE 759 CO -0.03 0.36 -0.14 0.11 -0.69 0.00 0.00 178.15 177.76 2bub h LYS 760 N 0.24 -0.11 -0.08 2.37 1.57 -1.32 -0.37 116.57 118.86 2bub h LYS 760 Ca 0.06 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2bub h LYS 760 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2bub h LYS 760 CO 0.03 -0.07 -0.11 -0.56 -0.57 0.00 0.00 179.45 178.17 2bub h GLN 761 N -0.12 0.12 -0.22 3.15 -0.00 -1.18 0.50 115.11 117.36 2bub h GLN 761 Ca 0.14 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 2bub h GLN 761 Cb 0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 2bub h GLN 761 CO -0.33 0.24 -0.05 0.00 -0.00 0.00 0.00 178.83 178.69 2bub n PHE 763 N -4.59 2.16 -1.39 0.00 3.72 -0.21 -4.86 117.46 112.28 2bub n PHE 763 Ca -0.04 -2.19 -0.02 0.00 -0.05 0.00 0.00 57.45 55.15 2bub n PHE 763 Cb 0.29 -1.27 -0.00 0.00 -0.94 0.00 0.00 39.48 37.55 2bub n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bub n SER 764 N 0.18 -0.40 -4.70 4.37 7.64 -1.09 -4.77 113.62 114.83 2bub n SER 764 Ca 0.49 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.06 2bub n SER 764 Cb 0.49 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2bub n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bub s LEU 765 N -2.01 4.34 0.00 -3.43 1.43 0.17 -5.00 118.68 114.19 2bub s LEU 765 Ca 0.03 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2bub s LEU 765 Cb -0.02 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2bub s LEU 765 CO 0.04 -0.58 0.00 -2.65 0.23 0.00 0.00 176.35 173.39