#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bub s ARG 40 N 0.00 4.37 1.12 -1.46 0.52 -1.26 -5.07 118.95 117.18 2bub s ARG 40 Ca 0.00 1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 56.51 2bub s ARG 40 Cb 0.00 -2.68 0.25 0.00 0.52 0.00 0.00 34.95 33.04 2bub s ARG 40 CO 0.00 0.06 1.06 -1.59 0.02 0.00 0.00 175.30 174.85 2bub s LYS 41 N -2.27 -0.59 0.29 3.54 -2.85 -1.26 -4.59 119.74 112.02 2bub s LYS 41 Ca 0.54 0.48 0.09 0.00 -1.00 0.00 0.00 55.97 56.08 2bub s LYS 41 Cb -0.21 -1.62 -0.04 0.00 -2.06 0.00 0.00 37.83 33.90 2bub s LYS 41 CO 0.27 -3.41 0.05 0.99 0.10 0.00 0.00 175.35 173.35 2bub s THR 42 N -2.76 3.33 -0.49 3.79 2.01 -1.26 -1.85 115.64 118.42 2bub s THR 42 Ca 0.67 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2bub s THR 42 Cb -0.19 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.43 2bub s THR 42 CO 0.60 -0.31 1.25 -0.47 -0.69 0.00 0.00 174.62 175.00 2bub s TYR 43 N -2.36 2.62 0.13 4.92 5.04 -1.26 -4.88 117.35 121.56 2bub s TYR 43 Ca 0.33 0.63 0.05 0.00 -2.44 0.00 0.00 57.07 55.64 2bub s TYR 43 Cb -0.05 -4.42 -0.04 0.00 0.35 0.00 0.00 41.96 37.80 2bub s TYR 43 CO 0.21 -1.58 0.07 0.95 -1.34 0.00 0.00 175.55 173.86 2bub s THR 44 N 4.96 4.29 0.34 4.34 -4.23 -1.26 -3.94 115.64 120.14 2bub s THR 44 Ca 0.51 -1.04 0.14 0.00 -1.18 0.00 0.00 61.69 60.13 2bub s THR 44 Cb -0.09 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.96 2bub s THR 44 CO 0.30 -0.01 1.62 0.25 -0.54 0.00 0.00 174.62 176.25 2bub h LEU 45 N 2.87 0.29 0.44 4.79 5.85 -1.94 0.90 115.31 128.51 2bub h LEU 45 Ca -0.47 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2bub h LEU 45 Cb 1.18 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 2bub h LEU 45 CO 0.62 -0.26 -0.47 0.74 -0.34 0.00 0.00 178.44 178.73 2bub h THR 46 N 0.17 0.00 -0.99 1.05 2.02 -1.98 -0.25 112.91 112.92 2bub h THR 46 Ca 0.74 0.00 0.36 0.00 0.77 0.00 0.00 66.41 68.28 2bub h THR 46 Cb 1.76 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.00 2bub h THR 46 CO -0.70 0.00 0.45 0.44 0.37 0.00 0.00 175.52 176.08 2bub h ASP 47 N -0.92 0.23 0.29 4.18 3.32 0.41 0.29 116.42 124.23 2bub h ASP 47 Ca -0.06 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2bub h ASP 47 Cb 0.80 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2bub h ASP 47 CO -0.07 -0.34 -0.14 0.22 -1.72 0.00 0.00 179.24 177.19 2bub h TYR 48 N 0.09 -0.37 0.00 4.55 3.20 -0.17 -0.74 116.97 123.53 2bub h TYR 48 Ca 0.77 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.61 2bub h TYR 48 Cb 1.89 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 40.28 2bub h TYR 48 CO -0.10 -0.23 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.05 2bub h LEU 49 N -0.54 0.00 0.00 2.82 -0.00 -0.09 -2.74 115.31 114.76 2bub h LEU 49 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.76 2bub h LEU 49 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2bub h LEU 49 CO 0.07 0.08 -1.71 0.29 -0.00 0.00 0.00 178.44 177.16 2bub n LYS 50 N -3.82 0.64 -2.05 1.13 5.02 0.92 -4.97 118.16 115.04 2bub n LYS 50 Ca -0.02 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.21 2bub n LYS 50 Cb 0.18 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.56 2bub n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2bub n ASN 51 N -2.53 -2.42 0.06 4.39 4.05 -0.31 -4.95 115.26 113.55 2bub n ASN 51 Ca -0.08 -0.12 -0.10 0.00 0.45 0.00 0.00 54.58 54.73 2bub n ASN 51 Cb 0.69 -1.36 -0.13 0.00 1.23 0.00 0.00 39.78 40.21 2bub n ASN 51 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2bub h THR 52 N -0.28 1.56 -3.61 -0.44 2.02 -1.78 -3.40 112.91 106.99 2bub h THR 52 Ca -0.11 -3.24 -0.70 0.00 0.77 0.00 0.00 66.41 63.13 2bub h THR 52 Cb 1.06 2.83 -0.25 0.00 -1.74 0.00 0.00 68.15 70.04 2bub h THR 52 CO 0.09 0.91 -0.54 -0.31 0.37 0.00 0.00 175.52 176.03 2bub s TYR 53 N -2.68 3.24 -0.19 3.16 2.02 -1.26 -5.09 117.35 116.54 2bub s TYR 53 Ca -0.01 -1.05 -0.09 0.00 -0.37 0.00 0.00 57.07 55.54 2bub s TYR 53 Cb 0.09 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.22 2bub s TYR 53 CO 0.84 -0.65 0.11 0.50 -1.57 0.00 0.00 175.55 174.77 2bub s ARG 54 N 1.52 4.12 -0.17 -0.62 3.52 -1.26 -5.07 118.95 120.99 2bub s ARG 54 Ca 0.01 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 2bub s ARG 54 Cb -0.19 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2bub s ARG 54 CO 0.06 0.29 1.46 -0.51 -0.81 0.00 0.00 175.30 175.78 2bub s LEU 55 N 0.37 4.10 0.30 -0.88 1.43 -1.26 -4.88 118.68 117.87 2bub s LEU 55 Ca 0.06 1.75 -0.24 0.00 -1.03 0.00 0.00 54.13 54.67 2bub s LEU 55 Cb -0.11 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 2bub s LEU 55 CO -0.01 -0.98 0.88 -0.54 0.23 0.00 0.00 176.35 175.94 2bub s LYS 56 N 4.03 4.48 0.42 1.70 -0.14 -1.26 -5.07 119.74 123.91 2bub s LYS 56 Ca 0.64 1.19 0.04 0.00 -1.36 0.00 0.00 55.97 56.48 2bub s LYS 56 Cb -0.25 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.06 2bub s LYS 56 CO 0.23 0.30 0.04 -0.51 -0.76 0.00 0.00 175.35 174.65 2bub s LEU 57 N -2.08 2.40 -0.33 3.17 1.43 -1.26 -4.92 118.68 117.08 2bub s LEU 57 Ca 0.49 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2bub s LEU 57 Cb -0.18 -0.61 0.14 0.00 0.03 0.00 0.00 46.19 45.58 2bub s LEU 57 CO 0.23 -0.69 0.28 -0.47 0.23 0.00 0.00 176.35 175.93 2bub s TYR 58 N -2.97 -0.04 -0.57 0.29 6.14 -1.26 -5.02 117.35 113.92 2bub s TYR 58 Ca 0.24 -0.81 -0.19 0.00 0.64 0.00 0.00 57.07 56.95 2bub s TYR 58 Cb 0.06 -0.60 0.09 0.00 0.42 0.00 0.00 41.96 41.93 2bub s TYR 58 CO 0.12 -0.91 0.68 -1.12 0.64 0.00 0.00 175.55 174.96 2bub s SER 59 N 1.72 6.19 0.21 4.32 0.01 -1.26 -5.06 113.70 119.83 2bub s SER 59 Ca 0.14 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.13 2bub s SER 59 Cb -0.17 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2bub s SER 59 CO -0.16 -1.05 0.24 -1.48 0.41 0.00 0.00 173.24 171.20 2bub s LEU 60 N 2.64 4.03 -0.27 2.44 -0.00 -1.26 -4.51 118.68 121.74 2bub s LEU 60 Ca 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 54.13 54.18 2bub s LEU 60 Cb -0.23 -2.58 0.08 0.00 -0.00 0.00 0.00 46.19 43.45 2bub s LEU 60 CO 0.07 -0.01 0.03 -0.13 -0.00 0.00 0.00 176.35 176.32 2bub s ARG 61 N -3.61 1.12 -0.05 1.48 0.52 -0.01 -4.90 118.95 113.50 2bub s ARG 61 Ca 0.33 -1.06 -0.34 0.00 -0.52 0.00 0.00 55.73 54.15 2bub s ARG 61 Cb -0.09 -2.39 -0.11 0.00 0.52 0.00 0.00 34.95 32.88 2bub s ARG 61 CO 0.26 -0.79 1.88 0.91 0.02 0.00 0.00 175.30 177.57 2bub n TRP 62 N 4.73 2.36 0.42 -0.53 7.02 -1.26 0.49 117.44 130.67 2bub n TRP 62 Ca -0.06 -0.04 0.06 0.00 -1.02 0.00 0.00 57.50 56.44 2bub n TRP 62 Cb 0.43 -2.68 0.06 0.00 -2.42 0.00 0.00 31.31 26.71 2bub n TRP 62 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2bub n ILE 63 N 5.10 0.11 -2.98 -0.99 -5.35 0.26 -4.89 119.36 110.62 2bub n ILE 63 Ca 0.22 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2bub n ILE 63 Cb 0.31 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 2bub n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bub n SER 64 N 0.67 0.00 0.00 7.28 3.41 -1.14 -4.94 113.62 118.90 2bub n SER 64 Ca 0.08 -0.89 0.14 0.00 -0.26 0.00 0.00 58.87 57.94 2bub n SER 64 Cb 0.32 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.88 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 -1.05 0.01 0.00 4.04 5.75 -1.26 -2.26 116.55 121.78 2bub n ASP 65 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 2bub n ASP 65 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.50 0.00 -3.92 2.11 1.44 -1.26 -4.07 115.22 108.02 2bub n HIS 66 Ca 0.07 -0.01 -0.09 0.00 -2.01 0.00 0.00 57.72 55.69 2bub n HIS 66 Cb 0.34 -0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.37 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 -0.01 0.73 0.01 -1.40 2.02 -1.26 -2.21 118.70 116.58 2bub s GLU 67 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2bub s GLU 67 Cb 0.00 0.29 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 2bub s GLU 67 CO 0.00 -0.20 0.07 1.52 0.02 0.00 0.00 175.26 176.66 2bub s TYR 68 N -3.53 0.13 0.34 1.61 -0.85 -0.92 -0.57 117.35 113.56 2bub s TYR 68 Ca 0.03 -0.28 -0.18 0.00 -0.52 0.00 0.00 57.07 56.11 2bub s TYR 68 Cb 0.04 -0.10 -0.10 0.00 0.38 0.00 0.00 41.96 42.18 2bub s TYR 68 CO -0.09 -0.24 0.81 -0.51 -1.52 0.00 0.00 175.55 174.00 2bub s LEU 69 N -1.37 4.08 -0.29 -3.49 1.43 0.18 -1.22 118.68 118.00 2bub s LEU 69 Ca -0.15 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 2bub s LEU 69 Cb -0.08 -4.15 0.12 0.00 0.03 0.00 0.00 46.19 42.11 2bub s LEU 69 CO 0.00 -0.21 0.84 -0.47 0.23 0.00 0.00 176.35 176.74 2bub s TYR 70 N -1.96 -0.85 -0.66 0.29 5.04 -0.22 -0.83 117.35 118.16 2bub s TYR 70 Ca 0.55 1.63 -0.24 0.00 -2.44 0.00 0.00 57.07 56.57 2bub s TYR 70 Cb -0.11 0.51 0.06 0.00 0.35 0.00 0.00 41.96 42.76 2bub s TYR 70 CO 0.17 -0.42 1.04 0.21 -1.34 0.00 0.00 175.55 175.21 2bub s LYS 71 N 1.79 3.16 -0.24 4.97 2.20 -1.26 -0.99 119.74 129.38 2bub s LYS 71 Ca -0.08 -0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 2bub s LYS 71 Cb -0.05 -4.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 2bub s LYS 71 CO -0.17 -1.86 0.49 -1.14 -0.36 0.00 0.00 175.35 172.30 2bub s GLN 72 N 4.48 4.11 -1.41 4.03 0.74 -0.05 -4.42 119.66 127.14 2bub s GLN 72 Ca 0.27 0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.98 2bub s GLN 72 Cb -0.14 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.36 2bub s GLN 72 CO 0.13 -0.24 0.39 0.39 -0.55 0.00 0.00 175.29 175.41 2bub n GLU 73 N 5.15 -3.11 -0.94 1.67 1.02 -1.26 -0.44 120.64 122.73 2bub n GLU 73 Ca -0.05 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2bub n GLU 73 Cb 0.50 -4.45 0.00 0.00 -0.02 0.00 0.00 31.44 27.47 2bub n GLU 73 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bub n ASN 74 N -2.98 -4.78 -4.93 1.62 5.15 -1.26 -4.94 115.26 103.15 2bub n ASN 74 Ca -0.31 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.38 2bub n ASN 74 Cb 0.69 -2.97 -0.04 0.00 -0.53 0.00 0.00 39.78 36.93 2bub n ASN 74 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2bub s ASN 75 N -2.02 6.36 -0.23 1.20 0.01 0.41 -4.30 114.94 116.37 2bub s ASN 75 Ca 0.00 0.25 -0.17 0.00 -0.71 0.00 0.00 52.86 52.24 2bub s ASN 75 Cb 0.00 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 2bub s ASN 75 CO 0.00 0.12 0.45 -0.63 -1.51 0.00 0.00 177.10 175.53 2bub s ILE 76 N -1.61 5.14 0.21 0.60 1.01 -0.97 -0.87 121.20 124.71 2bub s ILE 76 Ca 0.35 0.77 0.06 0.00 0.00 0.00 0.00 60.65 61.84 2bub s ILE 76 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2bub s ILE 76 CO 0.28 0.17 0.17 -0.76 0.00 0.00 0.00 174.94 174.80 2bub s LEU 77 N 1.83 3.81 -0.25 2.97 1.43 -0.16 0.18 118.68 128.49 2bub s LEU 77 Ca 0.20 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2bub s LEU 77 Cb -0.15 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.70 2bub s LEU 77 CO 0.09 0.01 -0.04 -0.69 0.23 0.00 0.00 176.35 175.95 2bub s VAL 78 N -1.96 3.12 -0.10 -1.59 1.01 -0.66 -1.05 120.40 119.16 2bub s VAL 78 Ca 0.32 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2bub s VAL 78 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2bub s VAL 78 CO 0.24 0.24 0.19 -0.36 0.00 0.00 0.00 175.10 175.41 2bub s PHE 79 N 1.38 3.61 -0.17 5.22 0.40 -0.35 -2.35 117.98 125.72 2bub s PHE 79 Ca 0.02 0.60 -0.21 0.00 -0.60 0.00 0.00 56.93 56.74 2bub s PHE 79 Cb -0.16 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 2bub s PHE 79 CO -0.03 0.69 0.61 1.21 0.70 0.00 0.00 175.22 178.40 2bub s ASN 80 N -0.95 6.72 -0.01 1.36 3.84 -0.19 -2.16 114.94 123.55 2bub s ASN 80 Ca 0.16 0.87 -0.09 0.00 0.21 0.00 0.00 52.86 54.00 2bub s ASN 80 Cb -0.13 -2.34 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 2bub s ASN 80 CO 0.05 -0.21 0.67 0.00 -2.79 0.00 0.00 177.10 174.83 2bub h ALA 81 N 7.28 -0.62 -0.83 1.71 0.00 -1.76 -1.33 119.26 123.71 2bub h ALA 81 Ca -0.34 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 54.69 2bub h ALA 81 Cb 1.16 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 2bub h ALA 81 CO 0.77 -0.60 0.27 1.49 0.00 0.00 0.00 179.25 181.18 2bub h GLU 82 N -0.56 0.30 0.00 0.00 4.57 -1.95 -3.11 114.58 113.83 2bub h GLU 82 Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2bub h GLU 82 Cb 0.26 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2bub h GLU 82 CO 0.06 0.20 -1.79 0.66 -1.18 0.00 0.00 179.01 176.95 2bub n TYR 83 N -5.13 0.00 0.00 0.92 4.01 -1.25 -5.02 117.16 110.69 2bub n TYR 83 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2bub n TYR 83 Cb 0.58 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.42 2.20 3.41 2.72 0.00 -0.50 -5.08 105.19 109.35 2bub n GLY 84 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 0.33 -0.07 0.23 1.61 4.22 -1.24 -4.52 114.94 115.50 2bub s ASN 85 Ca 0.00 1.08 -0.14 0.00 -2.14 0.00 0.00 52.86 51.66 2bub s ASN 85 Cb 0.00 -1.61 0.00 0.00 1.28 0.00 0.00 41.25 40.93 2bub s ASN 85 CO 0.00 -4.78 0.48 -0.94 -2.04 0.00 0.00 177.10 169.81 2bub s SER 86 N -2.98 -0.12 -0.21 3.54 1.04 -1.26 -1.03 113.70 112.67 2bub s SER 86 Ca 0.69 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 2bub s SER 86 Cb -0.18 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.60 2bub s SER 86 CO 0.60 -1.10 0.48 -0.44 0.98 0.00 0.00 173.24 173.76 2bub s SER 87 N -2.97 -0.54 0.06 7.02 0.01 -0.99 -5.00 113.70 111.29 2bub s SER 87 Ca 0.18 1.10 -0.30 0.00 1.31 0.00 0.00 55.95 58.23 2bub s SER 87 Cb -0.01 1.27 -0.09 0.00 0.21 0.00 0.00 66.02 67.40 2bub s SER 87 CO 0.05 -0.22 1.84 0.54 0.41 0.00 0.00 173.24 175.86 2bub s VAL 88 N 2.11 2.91 -0.22 3.43 0.11 -1.26 -1.65 120.40 125.83 2bub s VAL 88 Ca -0.06 0.18 -0.19 0.00 -2.93 0.00 0.00 61.98 58.97 2bub s VAL 88 Cb -0.10 -3.12 -0.18 0.00 -1.53 0.00 0.00 36.38 31.45 2bub s VAL 88 CO -0.14 -0.01 0.13 0.33 -3.33 0.00 0.00 175.10 172.08 2bub n PHE 89 N 6.54 0.87 -4.28 1.54 7.35 0.13 -4.90 117.46 124.71 2bub n PHE 89 Ca 0.18 0.36 -0.21 0.00 -0.76 0.00 0.00 57.45 57.03 2bub n PHE 89 Cb 0.40 -1.09 -0.16 0.00 0.35 0.00 0.00 39.48 38.98 2bub n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2bub s LEU 90 N -7.76 1.47 0.13 -2.13 2.96 -1.12 -5.03 118.68 107.20 2bub s LEU 90 Ca -0.30 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.25 2bub s LEU 90 Cb 0.07 -0.53 -0.07 0.00 0.50 0.00 0.00 46.19 46.16 2bub s LEU 90 CO 0.59 -0.02 0.63 -0.70 -1.32 0.00 0.00 176.35 175.52 2bub s GLU 91 N 0.73 4.21 0.38 1.98 2.12 -1.26 -2.30 118.70 124.57 2bub s GLU 91 Ca -0.11 0.77 0.15 0.00 0.36 0.00 0.00 54.97 56.14 2bub s GLU 91 Cb -0.14 -3.10 1.00 0.00 0.26 0.00 0.00 34.13 32.16 2bub s GLU 91 CO 0.01 0.54 1.80 -2.95 -0.54 0.00 0.00 175.26 174.13 2bub h ASN 92 N 4.05 0.52 0.29 -1.70 -1.07 -1.92 -3.02 115.58 112.72 2bub h ASN 92 Ca -0.49 0.07 -0.01 0.00 0.07 0.00 0.00 56.30 55.94 2bub h ASN 92 Cb 1.20 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 2bub h ASN 92 CO 0.65 0.16 -0.14 0.77 0.07 0.00 0.00 177.43 178.94 2bub h SER 93 N 0.49 -0.33 -0.80 6.14 4.64 -1.93 -3.45 113.55 118.31 2bub h SER 93 Ca 0.55 0.01 -0.70 0.00 -0.47 0.00 0.00 61.79 61.18 2bub h SER 93 Cb 1.23 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2bub h SER 93 CO -0.27 -0.10 0.52 0.35 -0.87 0.00 0.00 176.83 176.46 2bub n THR 94 N -3.83 0.00 -1.12 2.95 -2.24 -1.14 -1.33 114.28 107.56 2bub n THR 94 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2bub n THR 94 Cb 0.15 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2bub n THR 94 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bub n PHE 95 N 3.09 0.00 -0.09 4.78 3.72 -1.26 -4.89 117.46 122.81 2bub n PHE 95 Ca 0.24 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.49 2bub n PHE 95 Cb -0.04 -1.34 -0.07 0.00 -0.94 0.00 0.00 39.48 37.08 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 -0.73 2.02 -1.39 4.37 8.00 -0.45 -4.66 116.55 123.72 2bub n ASP 96 Ca 0.00 0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.51 2bub n ASP 96 Cb 0.31 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 2bub n ASP 96 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bub n GLU 97 N -3.37 1.25 0.04 -1.24 1.02 -1.26 -4.51 120.64 112.57 2bub n GLU 97 Ca -0.32 -0.55 -0.16 0.00 -0.02 0.00 0.00 57.16 56.12 2bub n GLU 97 Cb 0.78 -1.21 -0.14 0.00 -0.02 0.00 0.00 31.44 30.85 2bub n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2bub h PHE 98 N 0.58 0.36 0.00 -0.32 3.57 -1.98 -3.48 116.94 115.66 2bub h PHE 98 Ca 0.11 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2bub h PHE 98 Cb 1.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2bub h PHE 98 CO 0.34 1.35 0.00 0.41 -2.23 0.00 0.00 178.31 178.19 2bub n GLY 99 N 1.68 3.32 3.21 2.40 0.00 -1.26 -5.03 105.19 109.50 2bub n GLY 99 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.92 1.11 0.10 1.61 3.76 -1.26 -5.13 115.29 112.57 2bub s HIS 100 Ca 0.00 -0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 2bub s HIS 100 Cb 0.00 -0.59 -0.06 0.00 1.11 0.00 0.00 32.58 33.04 2bub s HIS 100 CO 0.00 -0.00 0.95 -1.12 -0.85 0.00 0.00 174.74 173.72 2bub s SER 101 N -2.95 7.48 -0.42 1.40 0.01 -1.26 -5.01 113.70 112.95 2bub s SER 101 Ca 0.12 1.78 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 2bub s SER 101 Cb 0.02 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2bub s SER 101 CO -0.01 -0.07 0.48 -0.63 0.41 0.00 0.00 173.24 173.42 2bub s ILE 102 N 0.03 5.03 0.12 1.44 1.01 -1.26 -4.36 121.20 123.21 2bub s ILE 102 Ca 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 2bub s ILE 102 Cb -0.23 -4.07 -0.19 0.00 0.01 0.00 0.00 42.46 37.98 2bub s ILE 102 CO 0.30 -0.45 1.28 -1.13 0.00 0.00 0.00 174.94 174.94 2bub h ASN 103 N 8.75 0.63 -5.00 3.58 -0.73 -1.36 -3.48 115.58 117.97 2bub h ASN 103 Ca -0.26 -0.50 0.05 0.00 1.87 0.00 0.00 56.30 57.45 2bub h ASN 103 Cb 1.11 -0.19 -0.09 0.00 0.27 0.00 0.00 38.32 39.41 2bub h ASN 103 CO 0.81 1.30 0.27 -0.62 -0.37 0.00 0.00 177.43 178.82 2bub s ASP 104 N -7.13 -0.40 0.15 1.15 -1.08 -1.25 -5.01 116.67 103.11 2bub s ASP 104 Ca -0.07 -0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 51.65 2bub s ASP 104 Cb 0.08 0.62 -0.03 0.00 -1.46 0.00 0.00 42.92 42.14 2bub s ASP 104 CO 0.88 -1.07 0.16 -0.72 0.52 0.00 0.00 175.17 174.94 2bub s TYR 105 N -3.71 0.66 -0.30 -5.34 -0.85 -1.26 -1.76 117.35 104.80 2bub s TYR 105 Ca 0.06 -1.03 -0.14 0.00 -0.52 0.00 0.00 57.07 55.45 2bub s TYR 105 Cb -0.03 -0.29 0.14 0.00 0.38 0.00 0.00 41.96 42.17 2bub s TYR 105 CO -0.04 -0.62 0.86 0.45 -1.52 0.00 0.00 175.55 174.69 2bub s SER 106 N -3.02 -0.77 -0.10 -0.18 0.15 -0.95 -4.99 113.70 103.85 2bub s SER 106 Ca 0.22 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.91 2bub s SER 106 Cb 0.06 1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 66.09 2bub s SER 106 CO 0.01 -0.16 0.07 -0.63 1.20 0.00 0.00 173.24 173.74 2bub s ILE 107 N 2.36 4.92 0.37 6.45 1.01 -1.26 -0.59 121.20 134.46 2bub s ILE 107 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 2bub s ILE 107 Cb -0.07 -3.12 -0.14 0.00 0.01 0.00 0.00 42.46 39.14 2bub s ILE 107 CO -0.18 0.60 0.06 -1.20 0.00 0.00 0.00 174.94 174.22 2bub n SER 108 N 2.01 -2.62 0.33 3.58 7.64 0.10 -4.71 113.62 119.96 2bub n SER 108 Ca -0.19 0.71 0.18 0.00 1.01 0.00 0.00 58.87 60.58 2bub n SER 108 Cb 0.54 -0.78 0.98 0.00 -1.01 0.00 0.00 64.21 63.94 2bub n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2bub h PRO 109 N 0.26 0.00 -0.34 1.43 0.11 -1.78 -2.72 132.00 128.96 2bub h PRO 109 Ca -0.33 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.53 2bub h PRO 109 Cb 1.28 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.16 2bub h PRO 109 CO 0.41 0.00 -0.71 -0.25 -0.21 0.00 0.00 178.00 177.24 2bub n ASP 110 N -2.98 2.97 0.00 -2.05 8.00 -1.25 -4.77 116.55 116.47 2bub n ASP 110 Ca -0.02 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.90 2bub n ASP 110 Cb 0.26 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2bub n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bub n GLY 111 N -0.80 2.33 0.22 0.44 0.00 -1.03 -4.82 105.19 101.53 2bub n GLY 111 Ca 0.28 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.43 2bub n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bub h GLN 112 N 1.12 0.00 -3.57 1.61 4.20 -1.95 -3.46 115.11 113.05 2bub h GLN 112 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2bub h GLN 112 Cb 0.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 2bub h GLN 112 CO 0.00 0.00 -0.36 -0.06 -0.67 0.00 0.00 178.83 177.74 2bub s PHE 113 N -3.32 0.05 -0.14 2.96 0.08 -1.26 -2.17 117.98 114.18 2bub s PHE 113 Ca 0.06 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 2bub s PHE 113 Cb 0.07 -0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.56 2bub s PHE 113 CO 0.61 -0.47 0.11 -1.50 -0.10 0.00 0.00 175.22 173.88 2bub s ILE 114 N -2.85 -0.14 0.05 0.64 1.10 -1.14 -0.72 121.20 118.15 2bub s ILE 114 Ca -0.03 0.03 -0.31 0.00 -0.51 0.00 0.00 60.65 59.84 2bub s ILE 114 Cb 0.00 -0.46 -0.08 0.00 0.15 0.00 0.00 42.46 42.07 2bub s ILE 114 CO -0.05 -0.12 1.67 -0.76 -2.11 0.00 0.00 174.94 173.56 2bub s LEU 115 N 2.19 4.36 -0.22 8.50 2.01 0.24 -1.95 118.68 133.82 2bub s LEU 115 Ca 0.03 2.47 -0.04 0.00 0.01 0.00 0.00 54.13 56.60 2bub s LEU 115 Cb -0.15 -3.56 -0.01 0.00 0.01 0.00 0.00 46.19 42.48 2bub s LEU 115 CO -0.08 -0.90 -0.04 -0.76 1.01 0.00 0.00 176.35 175.59 2bub s LEU 116 N 2.86 2.92 0.19 1.79 1.43 -0.53 -2.23 118.68 125.12 2bub s LEU 116 Ca 0.74 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.29 2bub s LEU 116 Cb -0.39 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 2bub s LEU 116 CO 0.32 -0.01 0.67 -0.70 0.23 0.00 0.00 176.35 176.87 2bub s GLU 117 N 1.41 4.19 0.00 1.70 2.12 -0.72 -2.81 118.70 124.59 2bub s GLU 117 Ca 0.05 0.78 -0.29 0.00 0.36 0.00 0.00 54.97 55.87 2bub s GLU 117 Cb -0.14 -2.94 0.10 0.00 0.26 0.00 0.00 34.13 31.41 2bub s GLU 117 CO -0.02 0.44 0.91 1.52 -0.54 0.00 0.00 175.26 177.57 2bub s TYR 118 N -1.46 -0.31 -1.24 5.30 1.13 -0.02 -0.82 117.35 119.94 2bub s TYR 118 Ca 0.40 0.16 -0.05 0.00 -1.41 0.00 0.00 57.07 56.17 2bub s TYR 118 Cb -0.17 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 2bub s TYR 118 CO 0.21 -0.55 0.74 0.09 -2.51 0.00 0.00 175.55 173.52 2bub n ASN 119 N -0.26 -2.79 -4.70 -0.18 3.02 -1.26 0.20 115.26 109.28 2bub n ASN 119 Ca -0.08 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 2bub n ASN 119 Cb 0.62 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 2bub n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2bub s TYR 120 N -3.59 2.96 -0.08 3.10 6.14 -1.26 -3.94 117.35 120.67 2bub s TYR 120 Ca 0.17 0.78 0.03 0.00 0.64 0.00 0.00 57.07 58.69 2bub s TYR 120 Cb -0.05 -3.74 0.01 0.00 0.42 0.00 0.00 41.96 38.60 2bub s TYR 120 CO 0.81 -2.73 -0.18 0.08 0.64 0.00 0.00 175.55 174.18 2bub s VAL 121 N 1.80 1.61 0.33 3.14 1.01 0.22 -5.01 120.40 123.50 2bub s VAL 121 Ca 0.66 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 2bub s VAL 121 Cb -0.36 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 2bub s VAL 121 CO 0.29 0.46 0.93 -0.54 0.00 0.00 0.00 175.10 176.24 2bub s LYS 122 N 0.50 4.51 0.00 2.72 1.02 -1.26 -0.50 119.74 126.72 2bub s LYS 122 Ca -0.17 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.08 2bub s LYS 122 Cb -0.17 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2bub s LYS 122 CO 0.06 0.25 0.00 1.04 -0.92 0.00 0.00 175.35 175.78 2bub n GLN 123 N 0.41 0.00 -0.10 1.68 6.02 -0.53 -4.85 117.38 120.02 2bub n GLN 123 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2bub n GLN 123 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 2bub n GLN 123 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2bub n TRP 124 N 0.00 -0.56 0.18 1.08 5.03 -1.17 -4.91 117.44 117.10 2bub n TRP 124 Ca 0.00 0.00 0.10 0.00 3.03 0.00 0.00 57.50 60.63 2bub n TRP 124 Cb 0.00 0.00 0.54 0.00 -1.03 0.00 0.00 31.31 30.82 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 0.00 0.00 -0.99 2.43 -1.99 -3.25 114.38 110.58 2bub h ARG 125 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bub h ARG 125 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2bub h ARG 125 CO 0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 2bub n HIS 126 N -2.24 0.00 -2.56 2.20 8.25 -1.26 -5.07 115.22 114.54 2bub n HIS 126 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 2bub n HIS 126 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.98 6.35 -0.04 0.41 1.04 -1.23 -4.61 113.70 114.64 2bub s SER 127 Ca 0.00 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 2bub s SER 127 Cb 0.00 -2.32 0.11 0.00 0.10 0.00 0.00 66.02 63.91 2bub s SER 127 CO 0.00 -0.58 0.93 -0.72 0.98 0.00 0.00 173.24 173.85 2bub s TYR 128 N -2.70 -0.33 0.21 5.02 -0.85 -1.26 -1.45 117.35 115.99 2bub s TYR 128 Ca 0.50 0.24 0.09 0.00 -0.52 0.00 0.00 57.07 57.38 2bub s TYR 128 Cb -0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2bub s TYR 128 CO 0.42 -0.49 -0.07 -0.08 -1.52 0.00 0.00 175.55 173.81 2bub s THR 129 N -2.87 3.26 0.08 -3.49 -1.32 0.34 -4.74 115.64 106.90 2bub s THR 129 Ca 0.05 -1.75 -0.27 0.00 -1.21 0.00 0.00 61.69 58.51 2bub s THR 129 Cb -0.01 -2.66 0.09 0.00 -1.51 0.00 0.00 72.50 68.41 2bub s THR 129 CO -0.08 -0.20 1.12 0.00 -2.21 0.00 0.00 174.62 173.26 2bub s ALA 130 N -1.91 -1.92 0.33 11.08 0.00 -1.03 -0.61 121.76 127.69 2bub s ALA 130 Ca 0.27 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.65 2bub s ALA 130 Cb -0.08 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 2bub s ALA 130 CO 0.17 -1.05 0.02 -1.12 0.00 0.00 0.00 175.76 173.77 2bub s SER 131 N -3.02 4.26 0.03 0.00 0.01 0.13 -2.32 113.70 112.79 2bub s SER 131 Ca 0.14 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.29 2bub s SER 131 Cb 0.01 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.70 2bub s SER 131 CO -0.00 -0.22 0.39 -0.31 0.41 0.00 0.00 173.24 173.50 2bub s TYR 132 N -2.49 -0.24 -0.10 2.43 2.02 -1.26 -0.84 117.35 116.87 2bub s TYR 132 Ca 0.35 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 57.11 2bub s TYR 132 Cb -0.01 0.18 0.04 0.00 -0.40 0.00 0.00 41.96 41.77 2bub s TYR 132 CO 0.20 -0.53 0.41 -0.51 -1.57 0.00 0.00 175.55 173.55 2bub s ASP 133 N -1.86 -0.38 -0.20 2.29 -0.00 -1.12 -4.68 116.67 110.71 2bub s ASP 133 Ca -0.07 0.59 -0.05 0.00 -0.00 0.00 0.00 52.55 53.02 2bub s ASP 133 Cb -0.02 0.65 -0.03 0.00 -0.00 0.00 0.00 42.92 43.53 2bub s ASP 133 CO -0.01 -0.29 0.01 -0.63 -0.00 0.00 0.00 175.17 174.25 2bub s ILE 134 N -0.42 4.12 -0.44 0.77 1.01 -1.26 -1.45 121.20 123.53 2bub s ILE 134 Ca -0.05 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2bub s ILE 134 Cb -0.03 -2.86 0.08 0.00 0.01 0.00 0.00 42.46 39.66 2bub s ILE 134 CO 0.03 0.43 0.30 -0.47 0.00 0.00 0.00 174.94 175.23 2bub s TYR 135 N 0.86 3.33 -0.14 3.97 6.14 -0.82 -1.05 117.35 129.65 2bub s TYR 135 Ca 0.01 -1.45 -0.29 0.00 0.64 0.00 0.00 57.07 55.98 2bub s TYR 135 Cb -0.14 -3.10 -0.04 0.00 0.42 0.00 0.00 41.96 39.10 2bub s TYR 135 CO 0.02 -0.86 1.66 0.34 0.64 0.00 0.00 175.55 177.35 2bub s ASP 136 N 2.33 6.48 -0.00 4.32 -1.08 0.06 -2.87 116.67 125.91 2bub s ASP 136 Ca 0.04 1.93 -0.16 0.00 -0.52 0.00 0.00 52.55 53.84 2bub s ASP 136 Cb -0.24 -2.53 -0.34 0.00 -1.46 0.00 0.00 42.92 38.35 2bub s ASP 136 CO 0.03 -1.13 0.89 -0.07 0.52 0.00 0.00 175.17 175.41 2bub h LEU 137 N 11.13 0.73 -0.65 -1.34 3.38 -1.69 -2.60 115.31 124.27 2bub h LEU 137 Ca -0.37 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 56.75 2bub h LEU 137 Cb 1.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2bub h LEU 137 CO 0.98 1.69 0.34 0.78 0.09 0.00 0.00 178.44 182.31 2bub h ASN 138 N 0.05 0.47 -1.30 -0.43 2.35 -1.91 -3.08 115.58 111.73 2bub h ASN 138 Ca -0.26 0.04 -0.69 0.00 -0.55 0.00 0.00 56.30 54.84 2bub h ASN 138 Cb 2.07 -0.04 -0.31 0.00 0.05 0.00 0.00 38.32 40.09 2bub h ASN 138 CO 0.23 0.29 0.65 2.29 -1.65 0.00 0.00 177.43 179.24 2bub n LYS 139 N -4.84 2.86 -0.19 0.81 2.85 -1.24 -4.97 118.16 113.44 2bub n LYS 139 Ca 0.09 -3.53 0.00 0.00 -1.05 0.00 0.00 58.31 53.81 2bub n LYS 139 Cb 0.21 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 2bub n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bub n ARG 140 N -0.76 0.00 -3.60 -1.58 1.74 -1.16 -4.83 116.66 106.47 2bub n ARG 140 Ca 0.57 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.61 2bub n ARG 140 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.99 2bub n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2bub s GLN 141 N -0.12 0.53 0.01 5.56 0.74 -0.98 -5.06 119.66 120.34 2bub s GLN 141 Ca 0.00 -0.23 -0.16 0.00 0.05 0.00 0.00 55.36 55.01 2bub s GLN 141 Cb 0.00 0.22 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 2bub s GLN 141 CO 0.00 -0.24 0.46 -0.51 -0.55 0.00 0.00 175.29 174.46 2bub s LEU 142 N -2.50 4.48 0.20 3.68 1.43 -1.26 -0.76 118.68 123.94 2bub s LEU 142 Ca 0.10 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 2bub s LEU 142 Cb 0.00 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 2bub s LEU 142 CO -0.05 0.28 1.29 0.27 0.23 0.00 0.00 176.35 178.38 2bub s ILE 143 N -0.95 3.25 -0.18 -0.59 -5.25 -0.21 -4.89 121.20 112.38 2bub s ILE 143 Ca 0.26 1.04 0.16 0.00 -0.99 0.00 0.00 60.65 61.11 2bub s ILE 143 Cb -0.17 -3.66 0.33 0.00 2.95 0.00 0.00 42.46 41.90 2bub s ILE 143 CO 0.15 0.16 1.22 1.07 -1.79 0.00 0.00 174.94 175.76 2bub n THR 144 N 2.52 1.86 -3.56 8.37 5.66 -1.26 -4.59 114.28 123.28 2bub n THR 144 Ca 0.05 -1.93 -0.11 0.00 -3.05 0.00 0.00 64.05 59.01 2bub n THR 144 Cb 0.43 -0.12 -0.04 0.00 -1.55 0.00 0.00 70.33 69.05 2bub n THR 144 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2bub s GLU 145 N -2.54 1.13 -1.56 1.09 -1.05 -1.26 -4.84 118.70 109.67 2bub s GLU 145 Ca 0.31 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 2bub s GLU 145 Cb 0.26 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.46 2bub s GLU 145 CO 0.05 -0.46 0.00 0.39 0.95 0.00 0.00 175.26 176.19 2bub n GLU 146 N -0.20 -1.41 -1.51 -4.83 -0.58 -1.26 -4.80 120.64 106.05 2bub n GLU 146 Ca -0.17 0.87 -0.45 0.00 -0.42 0.00 0.00 57.16 57.00 2bub n GLU 146 Cb 0.64 -5.19 -0.01 0.00 -0.57 0.00 0.00 31.44 26.31 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 -2.09 0.81 -1.52 3.49 1.74 -1.26 -4.88 116.66 112.94 2bub n ARG 147 Ca -0.15 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 2bub n ARG 147 Cb 0.51 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.12 2.00 -1.67 0.55 5.41 -1.26 -4.97 119.36 119.30 2bub n ILE 148 Ca 0.12 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 63.07 2bub n ILE 148 Cb 0.32 -0.74 0.05 0.00 -0.71 0.00 0.00 39.64 38.56 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 -1.59 2.88 0.62 0.38 0.02 -1.26 -4.75 135.00 131.30 2bub s PRO 149 Ca 0.62 0.78 -0.11 0.00 0.02 0.00 0.00 61.00 62.31 2bub s PRO 149 Cb -0.66 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 2bub s PRO 149 CO 0.58 -1.09 1.03 -0.80 -0.33 0.00 0.00 177.00 176.39 2bub s ASN 150 N -3.97 6.21 -1.24 2.53 0.01 -1.26 -3.89 114.94 113.33 2bub s ASN 150 Ca 0.58 1.43 -0.07 0.00 -0.71 0.00 0.00 52.86 54.09 2bub s ASN 150 Cb -0.13 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2bub s ASN 150 CO 0.54 -0.88 1.08 0.59 -1.51 0.00 0.00 177.10 176.92 2bub n ASN 151 N -2.73 -5.50 -4.72 -1.22 3.02 -1.17 -4.98 115.26 97.95 2bub n ASN 151 Ca 0.06 -0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 2bub n ASN 151 Cb 0.54 -4.72 -0.04 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.30 4.76 -0.14 3.41 2.01 -0.98 -4.26 115.64 117.14 2bub s THR 152 Ca 0.47 2.04 0.18 0.00 0.31 0.00 0.00 61.69 64.69 2bub s THR 152 Cb -0.21 -4.31 -0.14 0.00 0.01 0.00 0.00 72.50 67.86 2bub s THR 152 CO 0.68 0.22 0.79 0.00 -0.69 0.00 0.00 174.62 175.61 2bub n GLN 153 N 3.53 0.62 -3.52 4.92 6.02 0.44 -2.48 117.38 126.92 2bub n GLN 153 Ca 0.05 0.18 -0.12 0.00 -0.01 0.00 0.00 57.00 57.09 2bub n GLN 153 Cb 0.50 -1.78 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.99 -0.45 -0.11 1.08 -0.00 -1.16 -4.67 118.94 110.63 2bub s TRP 154 Ca -0.03 0.57 -0.14 0.00 -0.00 0.00 0.00 56.10 56.50 2bub s TRP 154 Cb 0.09 0.48 0.03 0.00 -0.00 0.00 0.00 33.47 34.08 2bub s TRP 154 CO 0.81 -0.54 0.36 0.08 -0.00 0.00 0.00 176.95 177.67 2bub s VAL 155 N -2.16 0.01 -0.14 5.86 1.01 -1.26 0.14 120.40 123.87 2bub s VAL 155 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2bub s VAL 155 Cb -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.87 2bub s VAL 155 CO -0.02 -0.06 0.35 -0.89 0.00 0.00 0.00 175.10 174.49 2bub s THR 156 N -0.16 -0.02 0.85 3.92 2.01 0.39 -4.97 115.64 117.65 2bub s THR 156 Ca -0.03 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 2bub s THR 156 Cb -0.03 -0.53 0.11 0.00 0.01 0.00 0.00 72.50 72.06 2bub s THR 156 CO 0.02 0.04 1.10 0.26 -0.69 0.00 0.00 174.62 175.35 2bub s TRP 157 N 1.11 2.19 0.91 4.92 0.52 -1.26 -1.49 118.94 125.84 2bub s TRP 157 Ca -0.07 1.56 -0.14 0.00 0.02 0.00 0.00 56.10 57.47 2bub s TRP 157 Cb -0.08 -3.16 0.15 0.00 -1.15 0.00 0.00 33.47 29.23 2bub s TRP 157 CO -0.09 -2.30 1.19 -1.54 0.02 0.00 0.00 176.95 174.24 2bub s SER 158 N -3.14 3.54 -0.00 2.95 1.04 -0.88 -4.84 113.70 112.37 2bub s SER 158 Ca 0.64 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.82 2bub s SER 158 Cb -0.19 -1.10 0.15 0.00 0.10 0.00 0.00 66.02 64.97 2bub s SER 158 CO 0.57 -2.50 1.09 -2.65 0.98 0.00 0.00 173.24 170.72 2bub n PRO 159 N -3.70 1.42 -3.64 4.02 -0.02 -1.26 -4.51 135.00 127.31 2bub n PRO 159 Ca 0.10 -0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 60.89 2bub n PRO 159 Cb 0.60 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.84 2bub n PRO 159 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2bub s VAL 160 N -1.75 0.00 0.00 -1.45 -7.23 -1.26 -4.87 120.40 103.84 2bub s VAL 160 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2bub s VAL 160 Cb 0.06 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.00 2bub s VAL 160 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2bub n GLY 161 N 3.52 0.30 2.37 2.32 0.00 -1.26 -4.48 105.19 107.96 2bub n GLY 161 Ca -0.17 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 2.34 -1.16 1.61 1.44 -1.26 -3.27 115.22 114.93 2bub n HIS 162 Ca 0.00 -2.42 -0.31 0.00 -2.01 0.00 0.00 57.72 52.98 2bub n HIS 162 Cb 0.00 -0.27 0.11 0.00 0.12 0.00 0.00 29.99 29.95 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 -3.60 1.89 -0.02 -1.40 1.02 -1.26 -4.62 119.74 111.75 2bub s LYS 163 Ca 0.42 1.17 0.02 0.00 0.02 0.00 0.00 55.97 57.61 2bub s LYS 163 Cb 0.39 -1.85 -0.00 0.00 -0.52 0.00 0.00 37.83 35.84 2bub s LYS 163 CO -0.02 -1.90 -0.08 -0.51 -0.92 0.00 0.00 175.35 171.91 2bub s LEU 164 N -6.08 1.89 -0.13 3.17 1.43 -0.62 -2.07 118.68 116.27 2bub s LEU 164 Ca 0.62 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2bub s LEU 164 Cb -0.18 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.58 2bub s LEU 164 CO 0.57 0.08 -0.14 0.00 0.23 0.00 0.00 176.35 177.08 2bub s ALA 165 N 0.01 1.80 0.08 4.21 0.00 -0.56 -0.93 121.76 126.36 2bub s ALA 165 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2bub s ALA 165 Cb -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2bub s ALA 165 CO -0.00 -0.27 -0.13 1.52 0.00 0.00 0.00 175.76 176.88 2bub s TYR 166 N 1.32 1.17 -0.08 0.00 -0.85 -0.79 -0.46 117.35 117.65 2bub s TYR 166 Ca 0.01 -0.51 0.04 0.00 -0.52 0.00 0.00 57.07 56.09 2bub s TYR 166 Cb -0.14 -0.65 -0.02 0.00 0.38 0.00 0.00 41.96 41.54 2bub s TYR 166 CO -0.07 0.05 -0.19 0.08 -1.52 0.00 0.00 175.55 173.90 2bub s VAL 167 N -1.61 2.60 -0.12 -3.49 1.01 0.12 -1.83 120.40 117.09 2bub s VAL 167 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 2bub s VAL 167 Cb -0.08 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2bub s VAL 167 CO 0.02 0.56 0.28 0.86 0.00 0.00 0.00 175.10 176.82 2bub s TRP 168 N -0.15 -0.37 -1.55 5.22 -0.00 -0.97 0.17 118.94 121.28 2bub s TRP 168 Ca -0.02 0.87 -0.05 0.00 -0.00 0.00 0.00 56.10 56.89 2bub s TRP 168 Cb -0.14 0.09 0.01 0.00 -0.00 0.00 0.00 33.47 33.43 2bub s TRP 168 CO 0.04 -0.24 0.61 0.09 -0.00 0.00 0.00 176.95 177.44 2bub n ASN 169 N 4.11 -6.05 0.00 5.86 5.03 -1.26 -1.59 115.26 121.36 2bub n ASN 169 Ca -0.24 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 54.92 2bub n ASN 169 Cb 0.54 -4.89 0.00 0.00 -1.02 0.00 0.00 39.78 34.41 2bub n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2bub n ASN 170 N -2.52 -1.26 -4.68 6.41 4.13 -1.26 -4.45 115.26 111.62 2bub n ASN 170 Ca -0.11 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.88 2bub n ASN 170 Cb 0.62 -1.69 -0.07 0.00 -1.54 0.00 0.00 39.78 37.09 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 -2.30 4.88 -0.04 6.41 1.01 -0.62 -2.37 116.67 123.64 2bub s ASP 171 Ca 0.00 -0.35 -0.21 0.00 0.71 0.00 0.00 52.55 52.71 2bub s ASP 171 Cb 0.00 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.80 2bub s ASP 171 CO 0.00 0.09 0.60 -0.63 0.21 0.00 0.00 175.17 175.45 2bub s ILE 172 N -1.69 4.99 0.14 0.77 1.01 -1.26 -2.30 121.20 122.86 2bub s ILE 172 Ca 0.28 1.25 0.07 0.00 0.00 0.00 0.00 60.65 62.24 2bub s ILE 172 Cb -0.10 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2bub s ILE 172 CO 0.19 0.36 -0.15 -0.31 0.00 0.00 0.00 174.94 175.03 2bub s TYR 173 N 0.21 1.52 -0.04 3.97 1.51 -0.76 -1.28 117.35 122.48 2bub s TYR 173 Ca 0.32 -0.55 -0.05 0.00 -1.01 0.00 0.00 57.07 55.78 2bub s TYR 173 Cb -0.18 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2bub s TYR 173 CO 0.16 0.20 0.13 0.08 -1.11 0.00 0.00 175.55 175.02 2bub s VAL 174 N -2.25 0.02 -0.06 0.71 1.01 -1.02 -1.89 120.40 116.92 2bub s VAL 174 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2bub s VAL 174 Cb -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 2bub s VAL 174 CO 0.04 -0.09 -0.21 -0.54 0.00 0.00 0.00 175.10 174.30 2bub s LYS 175 N -0.25 2.28 -0.00 2.72 1.02 -0.11 -1.27 119.74 124.12 2bub s LYS 175 Ca -0.03 -0.76 0.14 0.00 0.02 0.00 0.00 55.97 55.34 2bub s LYS 175 Cb -0.03 -1.90 -0.19 0.00 -0.52 0.00 0.00 37.83 35.19 2bub s LYS 175 CO 0.00 0.28 0.72 -0.89 -0.92 0.00 0.00 175.35 174.54 2bub n ILE 176 N 3.15 1.43 -4.39 2.17 2.08 -1.26 -1.58 119.36 120.96 2bub n ILE 176 Ca -0.18 -0.75 -0.19 0.00 0.56 0.00 0.00 62.75 62.18 2bub n ILE 176 Cb 0.52 -0.90 -0.15 0.00 -0.75 0.00 0.00 39.64 38.36 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 -2.73 0.80 0.62 0.38 0.41 -1.26 -4.61 118.70 112.31 2bub s GLU 177 Ca -0.04 -0.33 0.29 0.00 -0.41 0.00 0.00 54.97 54.49 2bub s GLU 177 Cb 0.08 -0.77 1.55 0.00 -1.78 0.00 0.00 34.13 33.22 2bub s GLU 177 CO 0.82 0.18 1.93 -1.35 -0.49 0.00 0.00 175.26 176.35 2bub h PRO 178 N 6.03 0.00 0.00 0.39 0.11 -1.88 -2.34 132.00 134.31 2bub h PRO 178 Ca -0.31 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 2bub h PRO 178 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2bub h PRO 178 CO 0.49 0.00 -1.92 0.27 -0.21 0.00 0.00 178.00 176.63 2bub n ASN 179 N -3.44 0.19 -4.79 -2.05 6.94 -1.26 -4.84 115.26 106.01 2bub n ASN 179 Ca 0.04 0.08 -0.35 0.00 -0.02 0.00 0.00 54.58 54.33 2bub n ASN 179 Cb 0.52 1.38 -0.03 0.00 -2.36 0.00 0.00 39.78 39.28 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 -4.99 3.95 0.82 -4.53 1.02 -0.88 -4.41 118.68 109.66 2bub s LEU 180 Ca -0.07 1.99 -0.14 0.00 0.02 0.00 0.00 54.13 55.93 2bub s LEU 180 Cb 0.11 -4.41 0.04 0.00 0.02 0.00 0.00 46.19 41.95 2bub s LEU 180 CO 0.87 -0.70 0.82 -0.81 0.02 0.00 0.00 176.35 176.54 2bub n PRO 181 N -0.64 0.08 -0.63 1.29 -0.04 -1.26 -4.78 135.00 129.03 2bub n PRO 181 Ca 0.08 0.09 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 2bub n PRO 181 Cb 0.51 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 2bub n PRO 181 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bub n SER 182 N -1.98 0.12 -4.12 3.54 3.41 -1.26 -4.80 113.62 108.53 2bub n SER 182 Ca 0.11 -1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 57.34 2bub n SER 182 Cb 0.51 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 2bub n SER 182 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2bub s TYR 183 N -1.03 1.42 0.36 7.33 1.51 -0.40 -4.93 117.35 121.62 2bub s TYR 183 Ca 0.13 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.62 2bub s TYR 183 Cb -0.01 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.82 2bub s TYR 183 CO 0.09 -0.07 1.10 0.50 -1.11 0.00 0.00 175.55 176.06 2bub s ARG 184 N -0.20 4.28 -0.04 -0.62 3.52 -1.26 -2.45 118.95 122.18 2bub s ARG 184 Ca 0.03 1.69 -0.02 0.00 -0.13 0.00 0.00 55.73 57.30 2bub s ARG 184 Cb -0.08 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2bub s ARG 184 CO 0.00 -0.08 -0.05 -0.89 -0.81 0.00 0.00 175.30 173.47 2bub n ILE 185 N 0.35 0.22 -4.50 4.11 2.08 -0.41 -4.26 119.36 116.95 2bub n ILE 185 Ca 0.03 -0.06 -0.25 0.00 0.56 0.00 0.00 62.75 63.03 2bub n ILE 185 Cb 0.47 -1.43 -0.13 0.00 -0.75 0.00 0.00 39.64 37.80 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 -2.07 1.75 -0.05 1.39 -4.23 -1.24 -4.78 115.64 106.41 2bub s THR 186 Ca -0.05 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2bub s THR 186 Cb 0.02 -1.55 0.12 0.00 1.34 0.00 0.00 72.50 72.43 2bub s THR 186 CO 0.07 0.10 1.01 0.79 -0.54 0.00 0.00 174.62 176.05 2bub n TRP 187 N 1.48 0.00 1.11 3.99 7.02 -1.26 -4.19 117.44 125.58 2bub n TRP 187 Ca -0.18 -0.58 0.12 0.00 -1.02 0.00 0.00 57.50 55.84 2bub n TRP 187 Cb 0.53 -0.09 0.16 0.00 -2.42 0.00 0.00 31.31 29.50 2bub n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2bub n THR 188 N -0.76 0.00 -1.72 -0.99 -2.24 -1.26 -4.97 114.28 102.34 2bub n THR 188 Ca 0.07 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2bub n THR 188 Cb 0.50 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 2bub n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bub n GLY 189 N 1.38 0.91 3.63 3.38 0.00 -1.26 -4.59 105.19 108.64 2bub n GLY 189 Ca 0.11 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.37 0.56 -0.10 1.61 2.20 -1.06 -4.90 119.74 116.67 2bub s LYS 190 Ca 0.59 1.39 -0.27 0.00 -0.36 0.00 0.00 55.97 57.32 2bub s LYS 190 Cb -0.55 0.82 -0.13 0.00 -1.51 0.00 0.00 37.83 36.46 2bub s LYS 190 CO 0.57 -0.19 0.80 -1.91 -0.36 0.00 0.00 175.35 174.26 2bub n GLU 191 N 5.37 0.00 -1.07 4.03 2.13 -1.26 0.27 120.64 130.10 2bub n GLU 191 Ca -0.12 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.67 2bub n GLU 191 Cb 0.50 -0.96 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 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 1.48 -5.40 0.03 4.31 8.00 -1.26 -4.72 116.55 119.00 2bub n ASP 192 Ca 0.15 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2bub n ASP 192 Cb 0.02 -3.13 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.23 0.10 -3.67 0.53 5.41 0.14 -4.72 119.36 114.93 2bub n ILE 193 Ca -0.03 0.03 -0.38 0.00 1.00 0.00 0.00 62.75 63.38 2bub n ILE 193 Cb 0.43 -0.44 -0.12 0.00 -0.71 0.00 0.00 39.64 38.80 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 -1.28 4.65 -0.39 1.39 -1.09 -0.75 -1.23 121.20 122.50 2bub s ILE 194 Ca 0.00 -0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2bub s ILE 194 Cb 0.00 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2bub s ILE 194 CO 0.00 0.19 0.22 -0.31 -1.23 0.00 0.00 174.94 173.82 2bub s TYR 195 N 1.64 3.25 -0.32 3.97 1.51 -0.40 -2.56 117.35 124.45 2bub s TYR 195 Ca 0.06 -1.01 -0.10 0.00 -1.01 0.00 0.00 57.07 55.00 2bub s TYR 195 Cb -0.16 -2.52 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2bub s TYR 195 CO 0.06 -0.68 0.17 -0.80 -1.11 0.00 0.00 175.55 173.20 2bub s ASN 196 N 1.65 5.66 0.00 2.29 0.01 -1.00 -1.08 114.94 122.47 2bub s ASN 196 Ca 0.02 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 2bub s ASN 196 Cb -0.20 -2.03 0.00 0.00 0.41 0.00 0.00 41.25 39.43 2bub s ASN 196 CO 0.06 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2bub n GLY 197 N 5.01 1.36 3.12 0.66 0.00 -0.86 -4.44 105.19 110.04 2bub n GLY 197 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.94 0.91 0.38 -0.61 -4.36 -1.26 -0.21 121.20 113.12 2bub s ILE 198 Ca 0.00 -1.09 -0.12 0.00 -0.26 0.00 0.00 60.65 59.18 2bub s ILE 198 Cb 0.00 -0.88 -0.07 0.00 1.25 0.00 0.00 42.46 42.75 2bub s ILE 198 CO 0.00 -0.18 0.77 0.42 0.24 0.00 0.00 174.94 176.19 2bub s THR 199 N -1.11 4.73 0.00 8.37 -4.23 -0.67 -4.78 115.64 117.96 2bub s THR 199 Ca -0.03 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2bub s THR 199 Cb -0.09 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2bub s THR 199 CO 0.01 -0.42 0.00 -0.90 -0.54 0.00 0.00 174.62 172.77 2bub n ASP 200 N -1.01 -0.12 0.13 3.99 5.75 -1.26 -4.64 116.55 119.39 2bub n ASP 200 Ca 0.03 -0.34 -0.05 0.00 -0.01 0.00 0.00 54.79 54.43 2bub n ASP 200 Cb 0.54 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 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 -0.54 -0.30 -0.93 2.11 7.01 -1.99 0.31 115.95 121.61 2bub h TRP 201 Ca 0.00 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.18 2bub h TRP 201 Cb 0.00 0.10 -0.11 0.00 -2.10 0.00 0.00 29.16 27.05 2bub h TRP 201 CO 0.00 -0.19 0.51 -0.39 -2.79 0.00 0.00 178.44 175.59 2bub h VAL 202 N -0.34 0.66 -0.35 2.65 -1.51 -1.96 0.20 116.25 115.61 2bub h VAL 202 Ca -0.03 -0.22 -0.15 0.00 -1.23 0.00 0.00 66.70 65.06 2bub h VAL 202 Cb 0.25 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.37 2bub h VAL 202 CO 0.05 0.12 -0.39 1.88 -1.23 0.00 0.00 177.57 178.00 2bub h TYR 203 N 0.64 1.06 -0.17 5.19 -1.99 -1.93 0.34 116.97 120.11 2bub h TYR 203 Ca 0.54 -0.33 0.02 0.00 2.00 0.00 0.00 58.73 60.97 2bub h TYR 203 Cb 0.88 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 2bub h TYR 203 CO -0.06 1.14 0.02 1.49 -0.00 0.00 0.00 178.16 180.75 2bub h GLU 204 N 0.67 0.08 0.24 4.88 4.81 0.36 -1.75 114.58 123.86 2bub h GLU 204 Ca 0.05 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bub h GLU 204 Cb 0.98 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2bub h GLU 204 CO 0.09 0.05 -0.11 1.49 -0.73 0.00 0.00 179.01 179.80 2bub h GLU 205 N 0.08 -0.31 0.00 1.92 4.57 -0.85 -2.21 114.58 117.79 2bub h GLU 205 Ca 0.07 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 2bub h GLU 205 Cb 0.08 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2bub h GLU 205 CO -0.11 -0.20 -0.79 0.93 -1.18 0.00 0.00 179.01 177.65 2bub h GLU 206 N -0.71 0.00 0.00 1.92 4.39 -0.45 -3.37 114.58 116.35 2bub h GLU 206 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2bub h GLU 206 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2bub h GLU 206 CO 0.05 0.22 -0.45 0.28 -1.16 0.00 0.00 179.01 177.95 2bub n VAL 207 N -2.97 0.87 -0.37 3.13 0.31 -1.08 -4.73 118.33 113.50 2bub n VAL 207 Ca -0.01 0.27 0.11 0.00 -0.01 0.00 0.00 64.34 64.70 2bub n VAL 207 Cb 0.68 -1.84 0.32 0.00 -0.91 0.00 0.00 33.84 32.08 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 -3.53 0.96 -3.50 3.52 3.72 -0.68 -4.97 117.46 112.98 2bub n PHE 208 Ca -0.06 -0.50 -0.13 0.00 -0.05 0.00 0.00 57.45 56.71 2bub n PHE 208 Cb 0.23 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.58 -0.57 -3.60 4.37 7.64 -1.03 -4.82 113.62 117.19 2bub n SER 209 Ca 0.24 -0.41 -0.03 0.00 1.01 0.00 0.00 58.87 59.68 2bub n SER 209 Cb 0.62 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 2bub n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bub s ALA 210 N -4.05 -2.08 -0.15 -0.43 0.00 -0.86 -5.00 121.76 109.19 2bub s ALA 210 Ca 0.09 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.41 2bub s ALA 210 Cb -0.05 0.05 -0.23 0.00 0.00 0.00 0.00 23.12 22.89 2bub s ALA 210 CO 0.31 -0.72 0.25 0.98 0.00 0.00 0.00 175.76 176.57 2bub n TYR 211 N -0.21 0.64 -1.69 0.00 9.36 -1.26 -4.17 117.16 119.82 2bub n TYR 211 Ca -0.02 0.18 -0.42 0.00 3.32 0.00 0.00 57.90 60.95 2bub n TYR 211 Cb 0.60 -1.10 -0.03 0.00 -0.63 0.00 0.00 39.34 38.18 2bub n TYR 211 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2bub n SER 212 N -3.16 4.03 -3.08 2.98 2.88 -1.26 -1.68 113.62 114.33 2bub n SER 212 Ca -0.31 1.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.98 2bub n SER 212 Cb 1.06 -1.55 -0.05 0.00 -0.75 0.00 0.00 64.21 62.93 2bub n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bub n ALA 213 N 5.36 3.93 -3.63 -1.46 0.00 0.70 -4.67 120.51 120.75 2bub n ALA 213 Ca 0.18 -4.39 -0.14 0.00 0.00 0.00 0.00 53.44 49.08 2bub n ALA 213 Cb 0.37 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.98 1.14 -0.18 0.00 1.02 -1.26 -2.26 118.68 114.16 2bub s LEU 214 Ca 0.45 0.09 -0.02 0.00 0.02 0.00 0.00 54.13 54.66 2bub s LEU 214 Cb 0.27 0.03 0.05 0.00 0.02 0.00 0.00 46.19 46.56 2bub s LEU 214 CO -0.10 -0.11 0.02 0.26 0.02 0.00 0.00 176.35 176.43 2bub s TRP 215 N 0.93 1.07 0.39 0.29 0.51 -0.13 -5.02 118.94 117.00 2bub s TRP 215 Ca -0.08 -0.80 -0.25 0.00 -2.12 0.00 0.00 56.10 52.85 2bub s TRP 215 Cb -0.11 -1.04 -0.09 0.00 -0.81 0.00 0.00 33.47 31.43 2bub s TRP 215 CO -0.03 -0.57 1.10 -1.58 -0.51 0.00 0.00 176.95 175.35 2bub s TRP 216 N 1.84 3.20 0.92 -1.98 0.52 -1.26 -2.70 118.94 119.48 2bub s TRP 216 Ca -0.00 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.62 2bub s TRP 216 Cb -0.16 -3.24 0.15 0.00 -1.15 0.00 0.00 33.47 29.06 2bub s TRP 216 CO -0.07 -0.91 1.10 0.45 0.02 0.00 0.00 176.95 177.54 2bub s SER 217 N -1.35 3.02 0.00 2.95 0.15 -0.88 -4.94 113.70 112.66 2bub s SER 217 Ca 0.57 1.84 0.00 0.00 0.70 0.00 0.00 55.95 59.06 2bub s SER 217 Cb -0.26 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2bub s SER 217 CO 0.33 -2.98 0.60 -2.65 1.20 0.00 0.00 173.24 169.74 2bub n PRO 218 N -4.13 0.00 0.00 5.44 -0.02 -1.26 -2.84 135.00 132.19 2bub n PRO 218 Ca 0.09 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2bub n PRO 218 Cb 0.53 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2bub n PRO 218 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2bub n ASN 219 N -1.34 0.00 0.00 2.55 2.85 -1.26 -4.37 115.26 113.69 2bub n ASN 219 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2bub n ASN 219 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2bub n ASN 219 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bub n GLY 220 N -0.95 0.70 0.13 8.20 0.00 -1.13 -4.75 105.19 107.39 2bub n GLY 220 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 2bub n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bub n THR 221 N -2.67 1.68 -3.94 2.61 -1.04 -1.26 -4.82 114.28 104.84 2bub n THR 221 Ca 0.00 -0.53 -0.29 0.00 -2.04 0.00 0.00 64.05 61.19 2bub n THR 221 Cb 0.07 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 66.80 2bub n THR 221 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2bub s PHE 222 N -2.52 3.49 -0.26 -1.42 0.08 -1.26 0.15 117.98 116.24 2bub s PHE 222 Ca -0.27 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 56.97 2bub s PHE 222 Cb 0.07 -1.72 0.08 0.00 -0.57 0.00 0.00 43.02 40.88 2bub s PHE 222 CO 0.70 0.56 0.05 -1.17 -0.10 0.00 0.00 175.22 175.26 2bub s LEU 223 N -2.74 2.15 -0.07 -0.37 0.20 -0.07 -2.06 118.68 115.73 2bub s LEU 223 Ca 0.35 -1.34 -0.24 0.00 0.69 0.00 0.00 54.13 53.58 2bub s LEU 223 Cb -0.12 -0.90 -0.03 0.00 -0.43 0.00 0.00 46.19 44.70 2bub s LEU 223 CO 0.28 -0.35 0.74 0.00 -0.29 0.00 0.00 176.35 176.73 2bub s ALA 224 N 1.60 3.33 0.25 5.97 0.00 -1.10 -1.04 121.76 130.77 2bub s ALA 224 Ca 0.04 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2bub s ALA 224 Cb -0.18 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2bub s ALA 224 CO -0.16 -0.15 -0.09 1.52 0.00 0.00 0.00 175.76 176.89 2bub s TYR 225 N 0.90 1.83 0.39 0.00 1.13 -1.00 -0.96 117.35 119.65 2bub s TYR 225 Ca 0.39 -0.66 0.08 0.00 -1.41 0.00 0.00 57.07 55.47 2bub s TYR 225 Cb -0.18 -0.97 -0.03 0.00 -1.10 0.00 0.00 41.96 39.68 2bub s TYR 225 CO 0.19 0.29 0.30 0.00 -2.51 0.00 0.00 175.55 173.82 2bub s ALA 226 N -3.02 3.88 -0.01 9.51 0.00 -0.96 -1.11 121.76 130.04 2bub s ALA 226 Ca 0.27 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.36 2bub s ALA 226 Cb 0.02 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2bub s ALA 226 CO 0.10 -0.13 0.02 -1.14 0.00 0.00 0.00 175.76 174.60 2bub s GLN 227 N -4.03 -0.01 -0.05 0.00 0.74 -0.19 -2.02 119.66 114.10 2bub s GLN 227 Ca 0.44 0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.99 2bub s GLN 227 Cb -0.03 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 33.99 2bub s GLN 227 CO 0.26 -0.06 -0.24 -0.06 -0.55 0.00 0.00 175.29 174.65 2bub s PHE 228 N 0.37 2.29 -0.36 1.67 0.08 -0.24 -2.31 117.98 119.49 2bub s PHE 228 Ca -0.03 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 2bub s PHE 228 Cb -0.04 -1.50 0.09 0.00 -0.57 0.00 0.00 43.02 40.99 2bub s PHE 228 CO -0.01 -0.19 0.10 1.21 -0.10 0.00 0.00 175.22 176.24 2bub s ASN 229 N -0.19 5.05 -0.41 1.36 3.84 -0.44 -1.27 114.94 122.88 2bub s ASN 229 Ca -0.02 -1.75 0.06 0.00 0.21 0.00 0.00 52.86 51.36 2bub s ASN 229 Cb -0.13 -1.76 0.66 0.00 -0.55 0.00 0.00 41.25 39.48 2bub s ASN 229 CO 0.03 -0.41 1.84 0.47 -2.79 0.00 0.00 177.10 176.24 2bub n ASP 230 N 4.56 3.77 0.02 -4.21 9.92 -0.36 -2.08 116.55 128.17 2bub n ASP 230 Ca -0.06 -3.56 0.12 0.00 -0.53 0.00 0.00 54.79 50.75 2bub n ASP 230 Cb 0.42 -0.80 0.56 0.00 -0.64 0.00 0.00 41.12 40.66 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 1.28 0.92 -0.09 -3.53 2.02 -1.85 -2.81 112.91 108.84 2bub h THR 231 Ca 0.52 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.61 2bub h THR 231 Cb 2.63 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2bub h THR 231 CO 0.95 0.05 0.00 -1.84 0.37 0.00 0.00 175.52 175.05 2bub n GLU 232 N -4.47 2.85 -2.38 6.66 0.28 -1.26 -4.98 120.64 117.35 2bub n GLU 232 Ca 0.06 -1.62 -0.43 0.00 -0.16 0.00 0.00 57.16 55.01 2bub n GLU 232 Cb 0.31 -1.07 -0.02 0.00 1.43 0.00 0.00 31.44 32.08 2bub n GLU 232 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2bub s VAL 233 N -0.98 4.18 0.96 3.84 1.01 -1.06 -4.69 120.40 123.67 2bub s VAL 233 Ca 0.06 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 2bub s VAL 233 Cb 0.03 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2bub s VAL 233 CO 0.04 -0.10 0.74 -2.65 0.00 0.00 0.00 175.10 173.14 2bub n PRO 234 N 6.30 -0.56 -4.00 2.72 -0.02 -1.26 -4.60 135.00 133.58 2bub n PRO 234 Ca 0.14 -0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 2bub n PRO 234 Cb 0.45 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 2bub n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bub s LEU 235 N -3.83 2.74 0.23 2.45 1.43 -1.26 -1.09 118.68 119.35 2bub s LEU 235 Ca 0.62 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2bub s LEU 235 Cb -0.22 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2bub s LEU 235 CO 0.63 -0.05 1.19 0.27 0.23 0.00 0.00 176.35 178.62 2bub s ILE 236 N 1.35 3.43 0.05 -0.59 -5.25 -0.97 -4.86 121.20 114.36 2bub s ILE 236 Ca 0.03 1.29 0.07 0.00 -0.99 0.00 0.00 60.65 61.05 2bub s ILE 236 Cb -0.15 -3.82 -0.03 0.00 2.95 0.00 0.00 42.46 41.41 2bub s ILE 236 CO -0.07 0.24 -0.18 -1.61 -1.79 0.00 0.00 174.94 171.53 2bub s GLU 237 N -0.74 2.04 -0.14 0.37 2.02 -1.26 -1.94 118.70 119.06 2bub s GLU 237 Ca 0.50 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 2bub s GLU 237 Cb -0.33 -2.18 0.07 0.00 0.10 0.00 0.00 34.13 31.79 2bub s GLU 237 CO 0.40 0.54 0.72 1.52 0.02 0.00 0.00 175.26 178.45 2bub s TYR 238 N -0.93 -0.69 -0.18 1.61 1.13 -0.32 -4.95 117.35 113.01 2bub s TYR 238 Ca 0.15 1.41 -0.26 0.00 -1.41 0.00 0.00 57.07 56.96 2bub s TYR 238 Cb -0.10 0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 41.10 2bub s TYR 238 CO 0.05 -0.50 0.86 -1.54 -2.51 0.00 0.00 175.55 171.91 2bub s SER 239 N -0.56 6.97 -0.27 -0.18 1.04 -1.26 -0.95 113.70 118.48 2bub s SER 239 Ca -0.06 1.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.46 2bub s SER 239 Cb -0.02 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 2bub s SER 239 CO 0.06 -0.44 0.19 0.12 0.98 0.00 0.00 173.24 174.15 2bub s PHE 240 N 2.32 3.24 -0.04 5.02 5.36 0.29 -4.86 117.98 129.31 2bub s PHE 240 Ca 0.39 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.52 2bub s PHE 240 Cb -0.16 -2.36 -0.26 0.00 -0.34 0.00 0.00 43.02 39.90 2bub s PHE 240 CO 0.12 -0.11 0.68 1.88 -1.46 0.00 0.00 175.22 176.32 2bub h TYR 241 N 8.18 0.30 -1.71 10.12 0.05 -1.96 -1.06 116.97 130.90 2bub h TYR 241 Ca -0.36 -0.22 0.17 0.00 0.05 0.00 0.00 58.73 58.38 2bub h TYR 241 Cb 1.19 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 2bub h TYR 241 CO 0.74 1.35 -0.23 0.45 -1.05 0.00 0.00 178.16 179.43 2bub n SER 242 N -3.32 -4.66 -3.96 3.88 2.88 -1.26 -4.78 113.62 102.39 2bub n SER 242 Ca -0.20 0.68 -0.36 0.00 -1.33 0.00 0.00 58.87 57.65 2bub n SER 242 Cb 1.04 -1.90 0.01 0.00 -0.75 0.00 0.00 64.21 62.62 2bub n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bub n ASP 243 N -2.50 -3.84 0.27 -3.46 8.00 -1.26 -4.80 116.55 108.96 2bub n ASP 243 Ca 0.00 0.54 0.16 0.00 0.71 0.00 0.00 54.79 56.21 2bub n ASP 243 Cb 0.29 -0.79 0.67 0.00 -0.02 0.00 0.00 41.12 41.28 2bub n ASP 243 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2bub h GLU 244 N -0.17 0.00 0.00 -1.24 4.11 -2.04 -2.44 114.58 112.81 2bub h GLU 244 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2bub h GLU 244 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2bub h GLU 244 CO 0.36 0.05 0.00 -1.13 0.07 0.00 0.00 179.01 178.36 2bub n SER 245 N -3.18 0.00 -4.59 3.06 3.41 -1.26 -4.56 113.62 106.50 2bub n SER 245 Ca 0.00 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 2bub n SER 245 Cb 0.31 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 2bub n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bub s LEU 246 N -2.72 3.49 0.03 1.04 0.20 -0.92 -4.93 118.68 114.87 2bub s LEU 246 Ca 0.15 0.54 -0.21 0.00 0.69 0.00 0.00 54.13 55.30 2bub s LEU 246 Cb 0.12 -3.28 -0.11 0.00 -0.43 0.00 0.00 46.19 42.49 2bub s LEU 246 CO 0.30 -1.58 1.28 -0.61 -0.29 0.00 0.00 176.35 175.45 2bub h GLN 247 N 10.93 -0.72 -5.88 1.98 4.15 -1.90 -3.42 115.11 120.26 2bub h GLN 247 Ca -0.27 0.05 -0.59 0.00 0.77 0.00 0.00 58.65 58.61 2bub h GLN 247 Cb 1.10 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.89 2bub h GLN 247 CO 1.13 -0.48 -0.17 0.71 -1.93 0.00 0.00 178.83 178.09 2bub s TYR 248 N -4.58 3.63 0.45 3.99 1.51 -1.26 -5.07 117.35 116.02 2bub s TYR 248 Ca -0.11 0.95 -0.24 0.00 -1.01 0.00 0.00 57.07 56.66 2bub s TYR 248 Cb 0.01 -2.41 -0.09 0.00 -0.11 0.00 0.00 41.96 39.36 2bub s TYR 248 CO 0.33 0.43 1.16 -2.30 -1.11 0.00 0.00 175.55 174.06 2bub n PRO 249 N 2.66 1.61 -3.37 -1.71 -0.02 -1.26 -5.01 135.00 127.89 2bub n PRO 249 Ca -0.11 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 2bub n PRO 249 Cb 0.52 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 2bub n PRO 249 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bub s LYS 250 N -2.27 4.16 -0.20 -0.52 1.02 -0.40 -4.93 119.74 116.59 2bub s LYS 250 Ca 0.64 0.22 -0.28 0.00 0.02 0.00 0.00 55.97 56.57 2bub s LYS 250 Cb -0.50 -3.55 -0.00 0.00 -0.52 0.00 0.00 37.83 33.25 2bub s LYS 250 CO 0.56 -0.08 0.95 0.99 -0.92 0.00 0.00 175.35 176.85 2bub s THR 251 N 1.45 4.77 -0.11 2.17 2.01 -1.26 0.11 115.64 124.77 2bub s THR 251 Ca 0.19 1.87 -0.03 0.00 0.31 0.00 0.00 61.69 64.04 2bub s THR 251 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2bub s THR 251 CO 0.08 -0.09 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.24 2bub s VAL 252 N 2.71 4.26 -0.05 3.82 1.01 -0.13 -4.91 120.40 127.11 2bub s VAL 252 Ca 0.42 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2bub s VAL 252 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2bub s VAL 252 CO 0.10 0.56 -0.04 -0.13 0.00 0.00 0.00 175.10 175.59 2bub s ARG 253 N -0.45 0.80 -0.09 2.72 0.52 -1.26 -1.17 118.95 120.02 2bub s ARG 253 Ca 0.08 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 2bub s ARG 253 Cb -0.12 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.51 2bub s ARG 253 CO 0.02 -0.10 -0.22 0.08 0.02 0.00 0.00 175.30 175.10 2bub s VAL 254 N 1.00 1.89 -0.40 3.52 1.01 -0.82 -4.99 120.40 121.60 2bub s VAL 254 Ca -0.10 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 2bub s VAL 254 Cb -0.14 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 2bub s VAL 254 CO -0.00 0.52 2.34 -2.65 0.00 0.00 0.00 175.10 175.31 2bub n PRO 255 N 3.53 1.31 -3.65 2.72 -0.02 -1.26 -2.30 135.00 135.34 2bub n PRO 255 Ca -0.20 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.29 2bub n PRO 255 Cb 0.53 -3.13 -0.18 0.00 -0.02 0.00 0.00 33.50 30.70 2bub n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bub s TYR 256 N 10.03 0.09 -0.25 6.00 6.14 -0.25 -4.58 117.35 134.54 2bub s TYR 256 Ca 1.03 0.07 -0.22 0.00 0.64 0.00 0.00 57.07 58.59 2bub s TYR 256 Cb -0.38 -0.54 -0.01 0.00 0.42 0.00 0.00 41.96 41.44 2bub s TYR 256 CO 0.34 -0.31 0.70 -1.25 0.64 0.00 0.00 175.55 175.66 2bub s PRO 257 N 2.17 4.14 0.70 4.97 0.04 -1.26 -4.39 135.00 141.36 2bub s PRO 257 Ca 0.04 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 2bub s PRO 257 Cb -0.13 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.83 2bub s PRO 257 CO -0.05 -0.45 1.01 0.15 0.04 0.00 0.00 177.00 177.70 2bub s LYS 258 N 2.61 2.11 -0.13 4.56 1.02 -1.26 -2.27 119.74 126.38 2bub s LYS 258 Ca 0.29 -0.38 -0.37 0.00 0.02 0.00 0.00 55.97 55.53 2bub s LYS 258 Cb -0.15 -2.20 -0.14 0.00 -0.52 0.00 0.00 37.83 34.82 2bub s LYS 258 CO 0.08 -1.26 1.73 0.00 -0.92 0.00 0.00 175.35 174.98 2bub n ALA 259 N -2.90 0.23 0.00 5.17 0.00 -0.59 0.03 120.51 122.45 2bub n ALA 259 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2bub n ALA 259 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 4.01 1.60 3.81 0.00 0.00 -1.26 -4.80 105.19 108.55 2bub n GLY 260 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.37 1.74 0.48 4.61 0.00 0.11 -4.99 121.76 121.34 2bub s ALA 261 Ca 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 2bub s ALA 261 Cb 0.00 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 2bub s ALA 261 CO 0.00 -2.67 1.25 0.08 0.00 0.00 0.00 175.76 174.42 2bub s VAL 262 N -3.53 2.70 0.29 0.00 1.01 -1.26 -4.90 120.40 114.70 2bub s VAL 262 Ca 0.71 0.54 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2bub s VAL 262 Cb -0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2bub s VAL 262 CO 0.54 0.01 0.12 0.20 0.00 0.00 0.00 175.10 175.96 2bub s ASN 263 N -1.14 4.93 1.10 3.32 0.02 -1.26 -4.63 114.94 117.28 2bub s ASN 263 Ca 0.65 -0.55 -0.12 0.00 -1.02 0.00 0.00 52.86 51.83 2bub s ASN 263 Cb -0.34 -0.99 0.24 0.00 0.02 0.00 0.00 41.25 40.18 2bub s ASN 263 CO 0.41 -0.11 1.00 -0.81 0.02 0.00 0.00 177.10 177.61 2bub n PRO 264 N -1.08 -1.81 -4.69 -0.60 -0.04 -1.26 -4.77 135.00 120.76 2bub n PRO 264 Ca -0.06 -0.49 -0.31 0.00 -0.04 0.00 0.00 63.50 62.61 2bub n PRO 264 Cb 0.59 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 2bub n PRO 264 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bub s THR 265 N -2.47 1.06 -0.24 0.52 -4.23 -0.88 -4.90 115.64 104.50 2bub s THR 265 Ca 0.67 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2bub s THR 265 Cb -0.24 -2.25 0.08 0.00 1.34 0.00 0.00 72.50 71.42 2bub s THR 265 CO 0.63 0.00 0.58 0.54 -0.54 0.00 0.00 174.62 175.83 2bub s VAL 266 N -2.96 -0.10 0.17 2.29 0.11 -1.25 -1.33 120.40 117.33 2bub s VAL 266 Ca 0.12 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2bub s VAL 266 Cb 0.02 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2bub s VAL 266 CO 0.07 0.02 0.35 -0.54 -3.33 0.00 0.00 175.10 171.66 2bub s LYS 267 N 1.67 3.51 -0.04 1.54 -0.14 -0.98 -4.96 119.74 120.35 2bub s LYS 267 Ca -0.09 -0.35 0.04 0.00 -1.36 0.00 0.00 55.97 54.21 2bub s LYS 267 Cb -0.07 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 2bub s LYS 267 CO -0.17 0.46 -0.16 0.12 -0.76 0.00 0.00 175.35 174.84 2bub s PHE 268 N -1.77 2.65 0.31 3.18 5.36 -1.24 -1.02 117.98 125.45 2bub s PHE 268 Ca 0.38 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 2bub s PHE 268 Cb -0.11 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.92 2bub s PHE 268 CO 0.28 0.16 0.12 -0.06 -1.46 0.00 0.00 175.22 174.26 2bub s PHE 269 N -0.73 1.67 -0.20 10.12 0.08 -0.27 -0.17 117.98 128.49 2bub s PHE 269 Ca 0.11 -1.24 -0.13 0.00 0.12 0.00 0.00 56.93 55.80 2bub s PHE 269 Cb -0.11 -0.99 0.06 0.00 -0.57 0.00 0.00 43.02 41.42 2bub s PHE 269 CO 0.01 -0.35 0.49 0.08 -0.10 0.00 0.00 175.22 175.35 2bub s VAL 270 N -3.53 -0.01 0.23 -0.44 1.01 -0.73 -2.38 120.40 114.55 2bub s VAL 270 Ca 0.34 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.48 2bub s VAL 270 Cb 0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2bub s VAL 270 CO 0.16 0.02 -0.19 -0.69 0.00 0.00 0.00 175.10 174.39 2bub s VAL 271 N 1.13 2.19 -0.55 2.92 1.01 -0.20 -1.71 120.40 125.19 2bub s VAL 271 Ca -0.07 -2.20 -0.10 0.00 0.00 0.00 0.00 61.98 59.61 2bub s VAL 271 Cb -0.06 -2.13 0.14 0.00 0.00 0.00 0.00 36.38 34.33 2bub s VAL 271 CO -0.10 -0.36 0.44 0.21 0.00 0.00 0.00 175.10 175.28 2bub s ASN 272 N -3.13 5.85 0.67 3.32 3.84 -1.26 -0.89 114.94 123.34 2bub s ASN 272 Ca 0.24 -2.13 0.44 0.00 0.21 0.00 0.00 52.86 51.62 2bub s ASN 272 Cb -0.05 -2.04 2.39 0.00 -0.55 0.00 0.00 41.25 41.00 2bub s ASN 272 CO 0.11 -0.66 2.35 0.74 -2.79 0.00 0.00 177.10 176.85 2bub h THR 273 N 5.81 0.02 0.00 -5.21 2.02 0.11 -1.25 112.91 114.40 2bub h THR 273 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2bub h THR 273 Cb 1.06 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2bub h THR 273 CO 0.85 0.00 -0.26 0.47 0.37 0.00 0.00 175.52 176.95 2bub n ASP 274 N -3.10 0.67 -2.56 4.18 8.00 -1.25 -4.12 116.55 118.37 2bub n ASP 274 Ca -0.03 0.35 -0.32 0.00 0.71 0.00 0.00 54.79 55.49 2bub n ASP 274 Cb 0.09 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.07 6.13 -4.66 -2.24 3.41 -0.47 -5.03 113.62 108.69 2bub n SER 275 Ca 0.05 -3.78 -0.35 0.00 -0.26 0.00 0.00 58.87 54.53 2bub n SER 275 Cb 0.42 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.78 3.62 0.15 1.04 1.43 -1.26 -4.93 118.68 114.96 2bub s LEU 276 Ca 0.52 0.12 0.11 0.00 -1.03 0.00 0.00 54.13 53.85 2bub s LEU 276 Cb 0.43 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2bub s LEU 276 CO -0.22 0.32 -0.26 -0.55 0.23 0.00 0.00 176.35 175.87 2bub s SER 277 N -0.53 3.32 0.14 2.29 0.15 -1.26 -5.01 113.70 112.80 2bub s SER 277 Ca 0.09 -0.79 -0.06 0.00 0.70 0.00 0.00 55.95 55.89 2bub s SER 277 Cb -0.12 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2bub s SER 277 CO 0.02 0.15 1.37 -1.28 1.20 0.00 0.00 173.24 174.70 2bub h SER 278 N 3.63 0.69 0.00 5.45 0.87 -1.99 -3.37 113.55 118.83 2bub h SER 278 Ca -0.49 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2bub h SER 278 Cb 1.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2bub h SER 278 CO 0.42 1.22 0.00 0.52 -0.53 0.00 0.00 176.83 178.47 2bub n VAL 279 N -3.88 0.00 -2.25 2.23 0.31 -1.26 -4.92 118.33 108.57 2bub n VAL 279 Ca -0.06 0.64 -0.38 0.00 -0.01 0.00 0.00 64.34 64.53 2bub n VAL 279 Cb 0.73 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.04 2bub n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2bub s THR 280 N -0.28 3.06 0.44 2.52 2.01 -1.26 -5.02 115.64 117.12 2bub s THR 280 Ca 0.00 0.87 -0.23 0.00 0.31 0.00 0.00 61.69 62.64 2bub s THR 280 Cb 0.00 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 2bub s THR 280 CO 0.00 0.06 1.08 0.20 -0.69 0.00 0.00 174.62 175.28 2bub s ASN 281 N -1.13 6.44 0.26 3.53 0.01 -1.26 -4.16 114.94 118.62 2bub s ASN 281 Ca 0.59 2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 54.53 2bub s ASN 281 Cb -0.31 -2.58 -0.14 0.00 0.41 0.00 0.00 41.25 38.62 2bub s ASN 281 CO 0.39 -0.72 1.15 0.00 -1.51 0.00 0.00 177.10 176.42 2bub n ALA 282 N -0.47 0.11 -3.84 0.60 0.00 -1.26 -4.98 120.51 110.67 2bub n ALA 282 Ca 0.07 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.58 2bub n ALA 282 Cb 0.50 -2.10 -0.14 0.00 0.00 0.00 0.00 19.45 17.71 2bub n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bub s THR 283 N -0.69 2.63 0.01 0.00 2.01 -1.26 -5.03 115.64 113.31 2bub s THR 283 Ca 0.63 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 2bub s THR 283 Cb -0.71 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2bub s THR 283 CO 0.57 0.03 0.15 -0.44 -0.69 0.00 0.00 174.62 174.23 2bub s SER 284 N 1.22 6.09 -0.29 3.53 0.01 -1.26 -4.61 113.70 118.38 2bub s SER 284 Ca -0.05 0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.31 2bub s SER 284 Cb -0.19 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 2bub s SER 284 CO -0.04 0.24 0.35 -0.63 0.41 0.00 0.00 173.24 173.57 2bub s ILE 285 N -1.32 5.19 0.36 1.44 1.09 -0.69 -4.91 121.20 122.35 2bub s ILE 285 Ca 0.27 0.36 -0.28 0.00 -1.10 0.00 0.00 60.65 59.91 2bub s ILE 285 Cb -0.12 -3.72 -0.10 0.00 -1.06 0.00 0.00 42.46 37.46 2bub s ILE 285 CO 0.19 0.09 1.35 -1.58 -0.10 0.00 0.00 174.94 174.89 2bub s GLN 286 N 2.02 4.20 -0.12 2.79 0.74 -1.26 -1.77 119.66 126.26 2bub s GLN 286 Ca 0.13 2.29 -0.00 0.00 0.05 0.00 0.00 55.36 57.83 2bub s GLN 286 Cb -0.16 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 2bub s GLN 286 CO 0.11 -0.34 -0.13 0.42 -0.55 0.00 0.00 175.29 174.80 2bub s ILE 287 N -1.16 3.11 -0.11 -2.34 1.01 0.76 -4.90 121.20 117.58 2bub s ILE 287 Ca 0.52 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 2bub s ILE 287 Cb -0.41 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2bub s ILE 287 CO 0.54 0.53 0.19 -0.89 0.00 0.00 0.00 174.94 175.32 2bub s THR 288 N 0.24 5.41 0.70 2.92 2.01 -1.26 -3.65 115.64 122.00 2bub s THR 288 Ca -0.08 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2bub s THR 288 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2bub s THR 288 CO 0.05 0.59 1.08 0.00 -0.69 0.00 0.00 174.62 175.65 2bub s ALA 289 N -0.86 2.49 0.50 7.40 0.00 -1.26 -4.96 121.76 125.07 2bub s ALA 289 Ca 0.16 0.30 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 2bub s ALA 289 Cb -0.13 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 2bub s ALA 289 CO 0.05 -1.36 1.14 -2.14 0.00 0.00 0.00 175.76 173.45 2bub s PRO 290 N -4.63 3.55 0.24 0.00 0.02 -1.26 -4.69 135.00 128.23 2bub s PRO 290 Ca 0.62 1.67 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2bub s PRO 290 Cb -0.17 -2.18 0.33 0.00 0.02 0.00 0.00 34.50 32.50 2bub s PRO 290 CO 0.50 -0.70 1.45 0.00 -0.33 0.00 0.00 177.00 177.92 2bub n ALA 291 N -0.94 0.05 0.61 -1.55 0.00 -1.26 0.55 120.51 117.97 2bub n ALA 291 Ca 0.10 0.98 0.06 0.00 0.00 0.00 0.00 53.44 54.58 2bub n ALA 291 Cb 0.50 -0.51 0.33 0.00 0.00 0.00 0.00 19.45 19.76 2bub n ALA 291 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bub n SER 292 N -5.45 0.00 -0.01 0.00 3.41 -1.26 -1.20 113.62 109.10 2bub n SER 292 Ca 0.12 0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.72 2bub n SER 292 Cb 0.42 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.31 0.70 0.12 4.33 2.00 0.19 -4.54 117.12 118.61 2bub n MET 293 Ca 0.06 0.27 0.13 0.00 0.00 0.00 0.00 57.70 58.15 2bub n MET 293 Cb 0.11 -1.74 0.46 0.00 0.00 0.00 0.00 33.22 32.05 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 -3.26 0.76 0.17 4.03 4.77 -0.34 -3.40 117.00 119.73 2bub n LEU 294 Ca -0.26 0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 2bub n LEU 294 Cb 1.05 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2bub n LEU 294 CO 0.43 -0.41 0.32 -0.29 -1.33 0.00 0.00 177.39 176.12 2bub h ILE 295 N 0.00 0.30 -3.58 -0.08 -0.00 -1.78 -3.47 117.51 108.90 2bub h ILE 295 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 2bub h ILE 295 Cb 0.53 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 37.84 2bub h ILE 295 CO 0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.15 178.83 2bub n GLY 296 N 0.25 1.55 3.70 8.18 0.00 -1.22 -5.07 105.19 112.58 2bub n GLY 296 Ca -0.08 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2bub n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bub s ASP 297 N -1.00 6.84 0.34 1.61 1.01 -1.26 -4.97 116.67 119.24 2bub s ASP 297 Ca 0.00 2.20 0.06 0.00 0.71 0.00 0.00 52.55 55.53 2bub s ASP 297 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2bub s ASP 297 CO 0.00 -0.69 0.32 -1.38 0.21 0.00 0.00 175.17 173.62 2bub s HIS 298 N 1.91 1.70 0.02 4.23 -3.43 -1.26 0.45 115.29 118.90 2bub s HIS 298 Ca 0.64 -1.63 0.01 0.00 -0.80 0.00 0.00 55.06 53.28 2bub s HIS 298 Cb -0.34 -0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 30.17 2bub s HIS 298 CO 0.28 -0.93 -0.04 0.71 -2.00 0.00 0.00 174.74 172.76 2bub s TYR 299 N -3.33 0.33 0.18 0.38 2.02 0.21 -4.84 117.35 112.30 2bub s TYR 299 Ca 0.39 -0.45 -0.32 0.00 -0.37 0.00 0.00 57.07 56.33 2bub s TYR 299 Cb 0.02 -0.22 -0.11 0.00 -0.40 0.00 0.00 41.96 41.25 2bub s TYR 299 CO 0.28 -0.14 1.61 -1.17 -1.57 0.00 0.00 175.55 174.56 2bub s LEU 300 N -1.27 4.37 0.00 -1.29 0.20 -1.26 -2.12 118.68 117.31 2bub s LEU 300 Ca -0.12 2.68 0.00 0.00 0.69 0.00 0.00 54.13 57.38 2bub s LEU 300 Cb -0.09 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 2bub s LEU 300 CO -0.01 -0.87 0.20 0.00 -0.29 0.00 0.00 176.35 175.39 2bub s ASP 302 N -0.12 -0.38 -0.07 0.00 -1.08 -1.23 -4.87 116.67 108.92 2bub s ASP 302 Ca 0.00 0.67 0.01 0.00 -0.52 0.00 0.00 52.55 52.72 2bub s ASP 302 Cb 0.00 0.87 0.02 0.00 -1.46 0.00 0.00 42.92 42.35 2bub s ASP 302 CO 0.00 -0.11 -0.09 -0.69 0.52 0.00 0.00 175.17 174.80 2bub s VAL 303 N 0.61 0.92 -0.14 1.11 1.01 -1.26 -1.81 120.40 120.83 2bub s VAL 303 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2bub s VAL 303 Cb -0.04 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.51 2bub s VAL 303 CO -0.11 0.32 0.31 -0.89 0.00 0.00 0.00 175.10 174.73 2bub s THR 304 N 1.00 -0.33 0.03 3.92 2.01 -0.67 -5.03 115.64 116.57 2bub s THR 304 Ca -0.09 0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 2bub s THR 304 Cb -0.15 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2bub s THR 304 CO -0.00 0.09 0.86 0.26 -0.69 0.00 0.00 174.62 175.13 2bub s TRP 305 N 2.08 3.71 -0.09 4.92 0.52 -1.26 0.17 118.94 129.00 2bub s TRP 305 Ca -0.03 1.58 -0.07 0.00 0.02 0.00 0.00 56.10 57.60 2bub s TRP 305 Cb -0.11 -2.95 -0.28 0.00 -1.15 0.00 0.00 33.47 28.98 2bub s TRP 305 CO -0.10 0.16 0.50 0.00 0.02 0.00 0.00 176.95 177.53 2bub h ALA 306 N 6.09 0.34 -2.35 0.98 0.00 0.99 -3.47 119.26 121.84 2bub h ALA 306 Ca -0.42 -1.30 0.19 0.00 0.00 0.00 0.00 54.91 53.38 2bub h ALA 306 Cb 1.21 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 2bub h ALA 306 CO 0.73 1.21 0.59 0.95 0.00 0.00 0.00 179.25 182.74 2bub s THR 307 N -2.57 0.00 0.42 0.00 -4.23 -1.11 -4.62 115.64 103.53 2bub s THR 307 Ca -0.19 -0.56 0.27 0.00 -1.18 0.00 0.00 61.69 60.03 2bub s THR 307 Cb 0.06 -2.53 0.45 0.00 1.34 0.00 0.00 72.50 71.83 2bub s THR 307 CO 0.81 0.00 1.63 1.56 -0.54 0.00 0.00 174.62 178.08 2bub h GLN 308 N 2.00 0.11 -2.05 3.99 1.08 -1.96 -2.72 115.11 115.57 2bub h GLN 308 Ca -0.27 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.43 2bub h GLN 308 Cb 1.22 -0.03 -0.40 0.00 -0.05 0.00 0.00 27.48 28.22 2bub h GLN 308 CO 0.32 0.08 -1.10 -0.85 -0.95 0.00 0.00 178.83 176.32 2bub n GLU 309 N -4.77 1.34 -3.47 1.46 0.28 -1.26 -4.87 120.64 109.35 2bub n GLU 309 Ca 0.36 -3.62 0.00 0.00 -0.16 0.00 0.00 57.16 53.74 2bub n GLU 309 Cb 1.34 -1.78 -0.05 0.00 1.43 0.00 0.00 31.44 32.38 2bub n GLU 309 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2bub s ARG 310 N -2.56 0.32 0.11 3.44 3.52 -1.03 -3.24 118.95 119.52 2bub s ARG 310 Ca 0.41 0.75 0.06 0.00 -0.13 0.00 0.00 55.73 56.81 2bub s ARG 310 Cb 0.33 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 34.06 2bub s ARG 310 CO -0.09 -0.10 -0.00 0.96 -0.81 0.00 0.00 175.30 175.26 2bub s ILE 311 N 2.21 3.91 0.01 4.11 -4.36 -0.47 0.15 121.20 126.76 2bub s ILE 311 Ca -0.04 -1.12 0.06 0.00 -0.26 0.00 0.00 60.65 59.29 2bub s ILE 311 Cb -0.06 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 2bub s ILE 311 CO -0.17 0.06 -0.16 -0.94 0.24 0.00 0.00 174.94 173.97 2bub s SER 312 N -2.48 3.92 0.35 4.36 1.04 0.13 0.25 113.70 121.27 2bub s SER 312 Ca 0.26 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2bub s SER 312 Cb -0.11 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 2bub s SER 312 CO 0.18 0.28 0.12 -0.76 0.98 0.00 0.00 173.24 174.05 2bub s LEU 313 N -1.21 1.92 -0.03 2.42 1.43 0.04 -1.66 118.68 121.58 2bub s LEU 313 Ca 0.14 -1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 2bub s LEU 313 Cb -0.11 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.06 2bub s LEU 313 CO 0.04 -0.83 0.25 -1.10 0.23 0.00 0.00 176.35 174.94 2bub s GLN 314 N -3.80 0.53 0.34 1.70 -0.21 -0.75 -1.46 119.66 116.01 2bub s GLN 314 Ca 0.31 -0.12 0.06 0.00 0.02 0.00 0.00 55.36 55.63 2bub s GLN 314 Cb 0.05 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.27 2bub s GLN 314 CO 0.16 -0.13 0.24 -1.58 -2.12 0.00 0.00 175.29 171.85 2bub s TRP 315 N -0.99 1.73 -0.29 0.91 0.52 -0.75 -2.09 118.94 117.97 2bub s TRP 315 Ca -0.11 -1.57 -0.13 0.00 0.02 0.00 0.00 56.10 54.31 2bub s TRP 315 Cb -0.05 -0.80 0.13 0.00 -1.15 0.00 0.00 33.47 31.60 2bub s TRP 315 CO 0.03 -0.74 0.79 -1.17 0.02 0.00 0.00 176.95 175.88 2bub s LEU 316 N -3.41 -0.86 0.36 2.99 2.96 -0.90 -2.49 118.68 117.33 2bub s LEU 316 Ca 0.37 1.25 -0.28 0.00 -0.22 0.00 0.00 54.13 55.25 2bub s LEU 316 Cb 0.03 2.08 -0.11 0.00 0.50 0.00 0.00 46.19 48.68 2bub s LEU 316 CO 0.24 -0.18 1.52 -0.13 -1.32 0.00 0.00 176.35 176.48 2bub s ARG 317 N 2.27 4.10 0.36 1.98 1.81 -1.02 -0.62 118.95 127.83 2bub s ARG 317 Ca -0.06 2.59 0.15 0.00 -1.72 0.00 0.00 55.73 56.69 2bub s ARG 317 Cb -0.08 -2.97 1.02 0.00 -0.45 0.00 0.00 34.95 32.47 2bub s ARG 317 CO -0.18 -0.57 1.73 -0.09 -0.68 0.00 0.00 175.30 175.51 2bub h ARG 318 N 3.38 0.44 -6.12 3.54 2.43 -0.33 -2.49 114.38 115.24 2bub h ARG 318 Ca -0.50 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.06 2bub h ARG 318 Cb 1.24 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 2bub h ARG 318 CO 0.67 0.29 1.27 0.42 -1.51 0.00 0.00 179.97 181.11 2bub s ILE 319 N -5.62 3.90 0.00 1.20 1.01 -1.26 -4.75 121.20 115.68 2bub s ILE 319 Ca -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2bub s ILE 319 Cb 0.27 -4.98 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 2bub s ILE 319 CO 0.80 -1.87 1.19 0.00 0.00 0.00 0.00 174.94 175.06 2bub n GLN 320 N 8.90 0.55 -0.01 2.79 6.02 -0.94 -3.70 117.38 130.99 2bub n GLN 320 Ca 0.20 -0.18 0.08 0.00 -0.01 0.00 0.00 57.00 57.09 2bub n GLN 320 Cb 0.50 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 30.12 2bub n GLN 320 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bub n ASN 321 N 2.30 0.82 -3.97 1.08 3.02 -1.26 -2.62 115.26 114.63 2bub n ASN 321 Ca 0.08 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 2bub n ASN 321 Cb 0.26 1.76 -0.16 0.00 -0.61 0.00 0.00 39.78 41.03 2bub n ASN 321 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2bub s TYR 322 N -3.20 1.04 -0.01 3.10 5.04 -1.24 -1.98 117.35 120.10 2bub s TYR 322 Ca -0.07 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 2bub s TYR 322 Cb 0.11 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.63 2bub s TYR 322 CO 0.75 -0.19 -0.01 0.45 -1.34 0.00 0.00 175.55 175.22 2bub s SER 323 N 0.59 0.27 -0.12 4.32 0.15 -0.71 -2.44 113.70 115.76 2bub s SER 323 Ca -0.10 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.54 2bub s SER 323 Cb -0.13 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2bub s SER 323 CO 0.01 -0.02 -0.15 -0.69 1.20 0.00 0.00 173.24 173.59 2bub s VAL 324 N 0.32 1.53 -0.20 4.45 1.01 -1.04 -0.19 120.40 126.28 2bub s VAL 324 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2bub s VAL 324 Cb -0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2bub s VAL 324 CO -0.01 0.45 0.11 -0.32 0.00 0.00 0.00 175.10 175.33 2bub s MET 325 N 1.06 4.07 -0.11 2.72 1.75 0.82 -1.81 119.30 127.79 2bub s MET 325 Ca -0.05 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 2bub s MET 325 Cb -0.15 -3.37 -0.01 0.00 2.84 0.00 0.00 34.83 34.15 2bub s MET 325 CO -0.03 0.22 -0.18 0.34 -0.65 0.00 0.00 175.02 174.72 2bub s ASP 326 N 0.56 3.58 -0.06 1.11 2.15 -0.54 -2.37 116.67 121.10 2bub s ASP 326 Ca 0.06 -0.43 -0.11 0.00 0.43 0.00 0.00 52.55 52.50 2bub s ASP 326 Cb -0.12 -1.48 -0.05 0.00 -0.30 0.00 0.00 42.92 40.97 2bub s ASP 326 CO 0.00 0.17 0.28 -0.63 -0.17 0.00 0.00 175.17 174.82 2bub s ILE 327 N 0.31 5.27 -0.16 4.11 1.09 -1.26 -0.78 121.20 129.78 2bub s ILE 327 Ca -0.14 0.53 -0.03 0.00 -1.10 0.00 0.00 60.65 59.91 2bub s ILE 327 Cb -0.17 -3.56 0.05 0.00 -1.06 0.00 0.00 42.46 37.73 2bub s ILE 327 CO 0.07 0.60 0.03 0.00 -0.10 0.00 0.00 174.94 175.54 2bub s ASP 329 N 1.92 6.78 0.15 0.00 1.11 -0.49 -1.37 116.67 124.76 2bub s ASP 329 Ca 0.01 0.97 -0.25 0.00 0.18 0.00 0.00 52.55 53.46 2bub s ASP 329 Cb -0.16 -2.25 -0.08 0.00 1.07 0.00 0.00 42.92 41.51 2bub s ASP 329 CO -0.07 0.17 0.78 -0.47 1.18 0.00 0.00 175.17 176.76 2bub s TYR 330 N -1.36 3.89 -0.54 4.23 5.04 -1.20 -1.82 117.35 125.59 2bub s TYR 330 Ca 0.33 1.62 -0.04 0.00 -2.44 0.00 0.00 57.07 56.54 2bub s TYR 330 Cb -0.15 -2.78 0.14 0.00 0.35 0.00 0.00 41.96 39.52 2bub s TYR 330 CO 0.18 0.48 0.36 0.34 -1.34 0.00 0.00 175.55 175.56 2bub s ASP 331 N -0.98 5.34 0.00 4.32 2.15 -1.02 -4.97 116.67 121.50 2bub s ASP 331 Ca 0.36 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2bub s ASP 331 Cb -0.23 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2bub s ASP 331 CO 0.26 -0.47 0.00 -1.84 -0.17 0.00 0.00 175.17 172.95 2bub n GLU 332 N 4.05 0.00 0.11 4.34 0.00 -1.26 -0.95 120.64 126.93 2bub n GLU 332 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.13 2bub n GLU 332 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.81 2bub n GLU 332 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2bub h SER 333 N 0.00 -0.31 0.25 -1.84 0.02 -1.96 -3.36 113.55 106.34 2bub h SER 333 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2bub h SER 333 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2bub h SER 333 CO 0.00 0.14 -0.12 0.77 -1.14 0.00 0.00 176.83 176.48 2bub h SER 334 N -1.10 -0.28 0.00 3.07 4.64 -1.96 -3.47 113.55 114.45 2bub h SER 334 Ca -0.04 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2bub h SER 334 Cb 0.29 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2bub h SER 334 CO 0.06 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2bub n GLY 335 N 0.17 0.81 3.93 -0.77 0.00 -0.12 -5.09 105.19 104.11 2bub n GLY 335 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.43 3.54 0.56 1.61 0.52 -1.26 -4.79 118.95 118.69 2bub s ARG 336 Ca 0.00 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 2bub s ARG 336 Cb 0.00 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.69 2bub s ARG 336 CO 0.00 0.35 0.84 -1.58 0.02 0.00 0.00 175.30 174.92 2bub s TRP 337 N -1.95 3.19 -0.09 -0.53 0.52 -1.26 -2.44 118.94 116.38 2bub s TRP 337 Ca 0.39 0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.94 2bub s TRP 337 Cb -0.11 -2.65 0.05 0.00 -1.15 0.00 0.00 33.47 29.60 2bub s TRP 337 CO 0.30 -0.74 0.20 -0.80 0.02 0.00 0.00 176.95 175.93 2bub s ASN 338 N -4.30 0.02 -0.42 2.95 0.01 -0.76 -4.96 114.94 107.48 2bub s ASN 338 Ca 0.53 0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 53.09 2bub s ASN 338 Cb -0.10 0.35 0.11 0.00 0.41 0.00 0.00 41.25 42.02 2bub s ASN 338 CO 0.43 -0.18 0.20 0.00 -1.51 0.00 0.00 177.10 176.04 2bub s LEU 340 N 0.95 3.99 0.09 0.00 1.02 -1.25 -4.95 118.68 118.53 2bub s LEU 340 Ca 0.10 1.78 -0.21 0.00 0.02 0.00 0.00 54.13 55.82 2bub s LEU 340 Cb -0.22 -3.53 -0.06 0.00 0.02 0.00 0.00 46.19 42.40 2bub s LEU 340 CO -0.05 -1.19 1.36 0.58 0.02 0.00 0.00 176.35 177.06 2bub h VAL 341 N 6.03 0.00 -1.36 -1.59 2.07 -1.98 0.99 116.25 120.42 2bub h VAL 341 Ca -0.35 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.58 2bub h VAL 341 Cb 1.16 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2bub h VAL 341 CO 0.99 0.00 0.96 0.00 0.02 0.00 0.00 177.57 179.54 2bub n ALA 342 N -3.03 1.31 1.83 1.67 0.00 -1.26 0.80 120.51 121.83 2bub n ALA 342 Ca -0.01 0.53 0.09 0.00 0.00 0.00 0.00 53.44 54.05 2bub n ALA 342 Cb 0.20 -0.83 0.49 0.00 0.00 0.00 0.00 19.45 19.31 2bub n ALA 342 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2bub n ARG 343 N -3.62 1.16 -3.56 0.00 0.63 0.34 -4.82 116.66 106.79 2bub n ARG 343 Ca 0.32 -0.24 -0.41 0.00 -0.92 0.00 0.00 57.85 56.61 2bub n ARG 343 Cb 1.42 -1.30 -0.11 0.00 0.45 0.00 0.00 32.46 32.92 2bub n ARG 343 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2bub s GLN 344 N -1.95 3.06 0.32 -0.14 -0.21 0.24 -4.33 119.66 116.64 2bub s GLN 344 Ca 0.28 -0.93 -0.16 0.00 0.02 0.00 0.00 55.36 54.56 2bub s GLN 344 Cb 0.13 -3.77 -0.09 0.00 1.00 0.00 0.00 33.01 30.28 2bub s GLN 344 CO 0.22 -0.62 0.76 -1.01 -2.12 0.00 0.00 175.29 172.52 2bub s HIS 345 N 1.62 3.41 -0.09 0.91 3.76 -1.00 -4.87 115.29 119.03 2bub s HIS 345 Ca 0.04 1.29 0.03 0.00 -0.15 0.00 0.00 55.06 56.27 2bub s HIS 345 Cb -0.18 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 30.93 2bub s HIS 345 CO 0.08 0.11 -0.19 0.42 -0.85 0.00 0.00 174.74 174.30 2bub s ILE 346 N -1.94 1.71 -0.26 0.60 1.01 -1.26 -0.13 121.20 120.93 2bub s ILE 346 Ca 0.53 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2bub s ILE 346 Cb -0.11 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.91 2bub s ILE 346 CO 0.17 0.48 -0.10 -0.70 0.00 0.00 0.00 174.94 174.79 2bub s GLU 347 N 0.48 2.33 0.43 2.79 2.12 0.73 -4.99 118.70 122.59 2bub s GLU 347 Ca -0.17 -1.29 0.07 0.00 0.36 0.00 0.00 54.97 53.93 2bub s GLU 347 Cb -0.17 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2bub s GLU 347 CO 0.07 -0.54 0.13 -1.64 -0.54 0.00 0.00 175.26 172.73 2bub s MET 348 N 1.14 2.14 -0.28 4.30 -1.94 -1.26 -1.74 119.30 121.66 2bub s MET 348 Ca -0.07 -1.98 -0.16 0.00 -1.71 0.00 0.00 55.69 51.77 2bub s MET 348 Cb -0.19 -1.84 0.10 0.00 2.01 0.00 0.00 34.83 34.90 2bub s MET 348 CO -0.05 -0.15 0.76 0.45 -0.01 0.00 0.00 175.02 176.03 2bub s SER 349 N -3.86 -0.84 0.00 3.03 0.15 -0.84 -4.84 113.70 106.49 2bub s SER 349 Ca 0.36 1.34 0.25 0.00 0.70 0.00 0.00 55.95 58.59 2bub s SER 349 Cb 0.05 1.38 0.38 0.00 -1.71 0.00 0.00 66.02 66.12 2bub s SER 349 CO 0.19 -0.21 1.33 0.41 1.20 0.00 0.00 173.24 176.17 2bub n THR 350 N 4.22 0.00 -0.04 6.45 -1.04 -1.26 -4.19 114.28 118.41 2bub n THR 350 Ca -0.19 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.05 61.54 2bub n THR 350 Cb 0.58 0.85 -0.14 0.00 -1.82 0.00 0.00 70.33 69.80 2bub n THR 350 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2bub n THR 351 N -0.26 1.39 0.00 12.58 -2.24 -1.26 -5.09 114.28 119.41 2bub n THR 351 Ca 0.11 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2bub n THR 351 Cb 0.41 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 1.60 1.83 4.00 3.38 0.00 -1.26 -4.85 105.19 109.89 2bub n GLY 352 Ca -0.22 0.18 -0.20 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 1.47 2.37 0.06 1.61 -2.14 -1.26 -4.56 118.94 116.49 2bub s TRP 353 Ca 0.00 -0.34 -0.10 0.00 2.66 0.00 0.00 56.10 58.32 2bub s TRP 353 Cb 0.00 -2.53 -0.06 0.00 -3.10 0.00 0.00 33.47 27.78 2bub s TRP 353 CO 0.00 -0.87 0.38 0.08 -2.66 0.00 0.00 176.95 173.88 2bub s VAL 354 N -2.64 5.12 0.57 -0.66 1.01 -1.08 -4.81 120.40 117.92 2bub s VAL 354 Ca 0.59 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2bub s VAL 354 Cb -0.09 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2bub s VAL 354 CO 0.37 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.42 2bub n GLY 355 N 1.07 -3.04 0.37 4.51 0.00 -1.26 -3.55 105.19 103.29 2bub n GLY 355 Ca -0.09 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2bub n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bub h ARG 356 N -1.44 -0.78 0.00 1.61 3.08 -1.95 -3.38 114.38 111.52 2bub h ARG 356 Ca -0.15 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2bub h ARG 356 Cb 1.41 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2bub h ARG 356 CO 0.06 -0.52 -0.40 1.19 -1.07 0.00 0.00 179.97 179.23 2bub n PHE 357 N -4.66 0.00 -3.61 3.04 3.72 -1.26 -4.92 117.46 109.77 2bub n PHE 357 Ca -0.10 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.22 2bub n PHE 357 Cb 0.35 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 2bub n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2bub s ARG 358 N -1.22 0.43 0.06 -1.08 1.70 -1.26 -5.02 118.95 112.56 2bub s ARG 358 Ca 0.00 0.18 -0.38 0.00 -0.47 0.00 0.00 55.73 55.07 2bub s ARG 358 Cb 0.00 0.20 -0.18 0.00 -0.57 0.00 0.00 34.95 34.40 2bub s ARG 358 CO 0.00 -0.12 1.17 -2.30 -1.08 0.00 0.00 175.30 172.97 2bub n PRO 359 N 0.98 0.56 -0.99 3.89 -0.02 -1.23 -4.63 135.00 133.55 2bub n PRO 359 Ca -0.08 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.21 2bub n PRO 359 Cb 0.58 -1.74 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 2bub n PRO 359 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bub n SER 360 N 1.97 -3.33 -4.69 2.55 2.88 -1.26 -4.96 113.62 106.78 2bub n SER 360 Ca 0.19 0.02 -0.25 0.00 -1.33 0.00 0.00 58.87 57.50 2bub n SER 360 Cb 0.14 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 2bub n SER 360 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2bub s GLU 361 N -1.97 2.50 -0.04 -1.46 1.03 -1.26 -5.01 118.70 112.48 2bub s GLU 361 Ca 0.36 -1.16 -0.03 0.00 0.03 0.00 0.00 54.97 54.16 2bub s GLU 361 Cb 0.07 -2.36 -0.04 0.00 -0.80 0.00 0.00 34.13 31.00 2bub s GLU 361 CO 0.67 0.43 0.14 -1.25 -1.33 0.00 0.00 175.26 173.92 2bub s PRO 362 N -3.29 3.35 -0.30 -4.83 0.04 -1.26 -4.52 135.00 124.20 2bub s PRO 362 Ca 0.30 -0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.06 2bub s PRO 362 Cb -0.08 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.46 2bub s PRO 362 CO 0.20 0.70 -0.03 -1.01 0.04 0.00 0.00 177.00 176.90 2bub s HIS 363 N -1.20 3.44 0.08 0.56 3.76 -0.06 -4.93 115.29 116.94 2bub s HIS 363 Ca 0.22 -2.49 -0.16 0.00 -0.15 0.00 0.00 55.06 52.48 2bub s HIS 363 Cb -0.12 -2.33 -0.06 0.00 1.11 0.00 0.00 32.58 31.17 2bub s HIS 363 CO 0.13 -0.90 0.51 -0.06 -0.85 0.00 0.00 174.74 173.58 2bub s PHE 364 N 1.06 3.71 1.24 1.40 0.40 -1.26 -0.16 117.98 124.36 2bub s PHE 364 Ca -0.01 1.11 -0.18 0.00 -0.60 0.00 0.00 56.93 57.25 2bub s PHE 364 Cb -0.20 -2.39 0.30 0.00 0.51 0.00 0.00 43.02 41.24 2bub s PHE 364 CO -0.05 0.55 1.05 0.95 0.70 0.00 0.00 175.22 178.41 2bub s THR 365 N -1.23 1.60 0.08 0.64 -4.23 -1.00 -4.87 115.64 106.62 2bub s THR 365 Ca 0.31 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.47 2bub s THR 365 Cb -0.17 -2.32 -0.18 0.00 1.34 0.00 0.00 72.50 71.17 2bub s THR 365 CO 0.18 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 176.10 2bub h LEU 366 N -2.74 -1.07 -0.94 4.79 7.12 -1.93 -2.17 115.31 118.37 2bub h LEU 366 Ca -0.48 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.59 2bub h LEU 366 Cb 1.32 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 2bub h LEU 366 CO 0.38 -0.65 0.00 -2.24 -0.13 0.00 0.00 178.44 175.80 2bub h ASP 367 N -1.03 0.00 -1.16 1.25 3.04 -1.92 -3.47 116.42 113.13 2bub h ASP 367 Ca -0.08 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.47 2bub h ASP 367 Cb 0.83 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.08 2bub h ASP 367 CO 0.08 0.00 -0.26 0.61 -2.04 0.00 0.00 179.24 177.63 2bub n GLY 368 N 0.06 0.50 0.27 7.15 0.00 -0.82 -4.89 105.19 107.46 2bub n GLY 368 Ca 0.02 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.05 1.03 -3.86 1.61 3.02 -1.26 -4.94 115.26 110.82 2bub n ASN 369 Ca -0.13 -0.96 -0.09 0.00 -0.03 0.00 0.00 54.58 53.37 2bub n ASN 369 Cb 0.50 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.40 -0.05 0.11 6.41 1.04 -1.26 -1.13 113.70 116.42 2bub s SER 370 Ca 0.28 -0.68 -0.26 0.00 0.48 0.00 0.00 55.95 55.76 2bub s SER 370 Cb 0.20 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.85 2bub s SER 370 CO 0.48 -0.90 0.99 0.72 0.98 0.00 0.00 173.24 175.51 2bub s PHE 371 N -3.91 -0.14 0.12 5.02 -0.71 -0.64 -2.38 117.98 115.33 2bub s PHE 371 Ca 0.12 -0.11 0.10 0.00 -1.04 0.00 0.00 56.93 56.00 2bub s PHE 371 Cb 0.02 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 2bub s PHE 371 CO -0.04 -0.72 -0.25 0.71 -1.34 0.00 0.00 175.22 173.58 2bub s TYR 372 N -3.15 2.36 -0.02 3.49 1.51 0.77 -0.45 117.35 121.87 2bub s TYR 372 Ca 0.12 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.67 2bub s TYR 372 Cb -0.01 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2bub s TYR 372 CO 0.00 0.33 0.31 0.21 -1.11 0.00 0.00 175.55 175.30 2bub s LYS 373 N -2.00 0.67 -0.13 -0.62 2.20 -0.28 -0.88 119.74 118.70 2bub s LYS 373 Ca 0.15 -0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.39 2bub s LYS 373 Cb -0.10 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 2bub s LYS 373 CO 0.07 -0.18 0.50 0.42 -0.36 0.00 0.00 175.35 175.79 2bub s ILE 374 N -1.31 5.17 0.01 5.43 1.01 -1.26 0.10 121.20 130.35 2bub s ILE 374 Ca -0.13 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2bub s ILE 374 Cb -0.05 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2bub s ILE 374 CO 0.04 0.29 -0.01 -0.63 0.00 0.00 0.00 174.94 174.64 2bub s ILE 375 N 0.83 0.08 0.17 2.92 1.09 -0.04 -4.64 121.20 121.60 2bub s ILE 375 Ca 0.26 -0.70 -0.30 0.00 -1.10 0.00 0.00 60.65 58.81 2bub s ILE 375 Cb -0.15 -0.22 -0.08 0.00 -1.06 0.00 0.00 42.46 40.95 2bub s ILE 375 CO 0.10 -0.38 1.20 -0.55 -0.10 0.00 0.00 174.94 175.21 2bub s SER 376 N -1.14 7.08 0.00 3.58 0.15 -1.26 -2.17 113.70 119.94 2bub s SER 376 Ca -0.12 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.73 2bub s SER 376 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2bub s SER 376 CO -0.01 -0.39 0.00 -0.46 1.20 0.00 0.00 173.24 173.58 2bub n ASN 377 N 2.74 0.00 0.02 5.45 2.04 0.38 -4.94 115.26 120.95 2bub n ASN 377 Ca 0.05 0.00 0.04 0.00 -0.44 0.00 0.00 54.58 54.24 2bub n ASN 377 Cb 0.45 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.61 2bub n ASN 377 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2bub n GLU 378 N 0.00 0.63 -0.09 -3.83 1.02 -1.26 -3.74 120.64 113.37 2bub n GLU 378 Ca 0.00 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2bub n GLU 378 Cb 0.00 -1.71 0.30 0.00 -0.02 0.00 0.00 31.44 30.02 2bub n GLU 378 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2bub n GLU 379 N -2.66 2.06 0.00 3.49 4.71 -1.26 -4.94 120.64 122.03 2bub n GLU 379 Ca -0.09 -1.58 0.00 0.00 -0.01 0.00 0.00 57.16 55.49 2bub n GLU 379 Cb 0.74 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 1.29 0.51 3.70 0.62 0.00 -1.25 -4.88 105.19 105.19 2bub n GLY 380 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 3.05 -0.23 1.61 1.51 -1.26 0.11 117.35 120.14 2bub s TYR 381 Ca 0.00 0.02 -0.18 0.00 -1.01 0.00 0.00 57.07 55.90 2bub s TYR 381 Cb 0.00 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 2bub s TYR 381 CO 0.00 0.48 0.50 1.03 -1.11 0.00 0.00 175.55 176.46 2bub s ARG 382 N -2.15 4.13 0.37 -0.62 0.52 -1.26 -0.47 118.95 119.46 2bub s ARG 382 Ca 0.25 0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.86 2bub s ARG 382 Cb -0.12 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2bub s ARG 382 CO 0.17 -0.24 0.19 0.72 0.02 0.00 0.00 175.30 176.16 2bub n HIS 383 N 5.14 -0.22 -2.68 -0.53 8.25 -0.92 -0.68 115.22 123.57 2bub n HIS 383 Ca -0.05 -2.60 -0.42 0.00 -0.26 0.00 0.00 57.72 54.38 2bub n HIS 383 Cb 0.50 0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 2bub n HIS 383 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2bub s ILE 384 N -3.14 4.78 -0.14 1.59 1.01 -1.26 -0.86 121.20 123.16 2bub s ILE 384 Ca 0.27 2.04 -0.03 0.00 0.00 0.00 0.00 60.65 62.94 2bub s ILE 384 Cb 0.01 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2bub s ILE 384 CO 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 174.94 175.08 2bub s TYR 386 N 0.27 3.48 0.02 0.00 5.04 0.11 -1.13 117.35 125.15 2bub s TYR 386 Ca -0.04 1.22 0.06 0.00 -2.44 0.00 0.00 57.07 55.87 2bub s TYR 386 Cb -0.14 -2.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.23 2bub s TYR 386 CO 0.03 -0.10 -0.16 -0.06 -1.34 0.00 0.00 175.55 173.93 2bub s PHE 387 N 1.57 2.63 -0.13 4.97 0.40 0.41 -1.93 117.98 125.90 2bub s PHE 387 Ca 0.37 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 2bub s PHE 387 Cb -0.17 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2bub s PHE 387 CO 0.15 0.26 -0.22 -1.14 0.70 0.00 0.00 175.22 174.96 2bub s GLN 388 N -1.31 3.04 0.24 0.44 0.74 -1.26 -1.62 119.66 119.93 2bub s GLN 388 Ca 0.14 -0.86 -0.11 0.00 0.05 0.00 0.00 55.36 54.59 2bub s GLN 388 Cb -0.11 -2.41 0.34 0.00 1.10 0.00 0.00 33.01 31.93 2bub s GLN 388 CO 0.05 0.03 1.60 0.82 -0.55 0.00 0.00 175.29 177.24 2bub h ILE 389 N 5.79 0.22 -0.72 -2.34 5.03 -1.49 -1.13 117.51 122.87 2bub h ILE 389 Ca -0.29 -0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.22 2bub h ILE 389 Cb 1.20 0.21 -0.14 0.00 -3.03 0.00 0.00 36.82 35.07 2bub h ILE 389 CO 0.53 0.00 0.27 0.47 -0.68 0.00 0.00 178.15 178.75 2bub n ASP 390 N -5.51 4.60 -4.27 1.72 8.00 -1.26 -4.80 116.55 115.04 2bub n ASP 390 Ca 0.11 -3.28 -0.26 0.00 0.71 0.00 0.00 54.79 52.08 2bub n ASP 390 Cb 0.41 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 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 -3.03 1.42 0.41 -1.24 -0.14 -0.43 -5.06 119.74 111.67 2bub s LYS 391 Ca 0.54 -0.98 0.08 0.00 -1.36 0.00 0.00 55.97 54.24 2bub s LYS 391 Cb 0.44 -1.56 0.87 0.00 -1.68 0.00 0.00 37.83 35.91 2bub s LYS 391 CO 0.12 0.39 2.05 1.57 -0.76 0.00 0.00 175.35 178.73 2bub h LYS 392 N 4.78 0.53 0.00 1.68 2.10 -1.91 -3.42 116.57 120.33 2bub h LYS 392 Ca -0.43 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.11 2bub h LYS 392 Cb 1.16 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 2bub h LYS 392 CO 0.43 0.35 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.92 2bub n ASP 393 N -4.47 1.13 -4.11 7.07 8.00 -1.26 -5.00 116.55 117.90 2bub n ASP 393 Ca 0.04 -1.29 -0.13 0.00 0.71 0.00 0.00 54.79 54.12 2bub n ASP 393 Cb 0.09 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.21 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 -2.16 5.38 -0.38 0.00 2.01 -0.81 -4.88 115.64 114.80 2bub s THR 395 Ca -0.01 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 2bub s THR 395 Cb -0.05 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2bub s THR 395 CO -0.01 0.16 0.50 -0.36 -0.69 0.00 0.00 174.62 174.22 2bub s PHE 396 N -1.50 3.16 0.17 4.92 0.08 -1.26 -0.71 117.98 122.84 2bub s PHE 396 Ca 0.34 0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.45 2bub s PHE 396 Cb -0.13 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 2bub s PHE 396 CO 0.27 -0.61 1.38 0.82 -0.10 0.00 0.00 175.22 176.98 2bub h ILE 397 N 5.67 1.52 -3.40 0.64 5.03 -1.06 -3.45 117.51 122.47 2bub h ILE 397 Ca -0.27 -2.70 -0.40 0.00 -0.12 0.00 0.00 64.86 61.36 2bub h ILE 397 Cb 1.12 2.50 -0.17 0.00 -3.03 0.00 0.00 36.82 37.25 2bub h ILE 397 CO 0.79 0.78 -0.74 0.42 -0.68 0.00 0.00 178.15 178.72 2bub s THR 398 N -3.16 1.37 0.19 -0.27 -4.23 -1.25 -4.92 115.64 103.38 2bub s THR 398 Ca -0.02 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2bub s THR 398 Cb 0.10 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.23 2bub s THR 398 CO 0.82 -0.53 0.22 2.29 -0.54 0.00 0.00 174.62 176.88 2bub n LYS 399 N 0.18 0.32 0.00 3.99 2.85 -1.26 -4.50 118.16 119.73 2bub n LYS 399 Ca -0.13 -1.75 0.00 0.00 -1.05 0.00 0.00 58.31 55.38 2bub n LYS 399 Cb 0.58 1.55 0.00 0.00 -0.65 0.00 0.00 35.03 36.52 2bub n LYS 399 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bub n GLY 400 N -0.35 0.64 2.76 2.58 0.00 -1.26 -4.82 105.19 104.74 2bub n GLY 400 Ca 0.02 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.46 4.88 -3.64 2.61 -2.24 -1.26 -4.81 114.28 109.36 2bub n THR 401 Ca 0.00 -4.72 -0.04 0.00 -2.27 0.00 0.00 64.05 57.02 2bub n THR 401 Cb 0.00 -2.18 -0.07 0.00 -2.10 0.00 0.00 70.33 65.99 2bub n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2bub s TRP 402 N -0.88 -0.66 0.85 4.78 1.48 -1.26 -4.97 118.94 118.27 2bub s TRP 402 Ca 0.42 1.35 -0.12 0.00 -1.06 0.00 0.00 56.10 56.69 2bub s TRP 402 Cb 0.12 0.40 0.10 0.00 -1.16 0.00 0.00 33.47 32.93 2bub s TRP 402 CO -0.02 -0.33 1.12 -1.21 -4.06 0.00 0.00 176.95 172.46 2bub s GLU 403 N 1.30 1.67 -0.04 3.25 2.02 -1.26 -4.77 118.70 120.87 2bub s GLU 403 Ca -0.08 0.42 -0.13 0.00 0.02 0.00 0.00 54.97 55.20 2bub s GLU 403 Cb -0.04 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2bub s GLU 403 CO -0.15 -1.86 0.35 0.08 0.02 0.00 0.00 175.26 173.70 2bub s VAL 404 N -3.26 5.15 -0.07 2.63 1.01 0.14 -3.49 120.40 122.52 2bub s VAL 404 Ca 0.62 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 2bub s VAL 404 Cb -0.14 -3.65 -0.28 0.00 0.00 0.00 0.00 36.38 32.31 2bub s VAL 404 CO 0.53 0.57 0.58 0.40 0.00 0.00 0.00 175.10 177.18 2bub h ILE 405 N 3.86 0.84 0.00 2.22 1.08 -1.10 -3.46 117.51 120.94 2bub h ILE 405 Ca -0.51 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.46 2bub h ILE 405 Cb 1.22 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 2bub h ILE 405 CO 0.62 0.85 0.00 0.61 -0.69 0.00 0.00 178.15 179.54 2bub n GLY 406 N 1.87 0.47 3.26 5.37 0.00 -1.22 -5.00 105.19 109.94 2bub n GLY 406 Ca -0.26 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 2bub n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bub s ILE 407 N -2.00 1.62 0.00 -0.61 1.01 -1.26 -1.97 121.20 117.99 2bub s ILE 407 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.29 2bub s ILE 407 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2bub s ILE 407 CO 0.00 0.04 0.00 -0.62 0.00 0.00 0.00 174.94 174.36 2bub n GLU 408 N 1.44 0.46 -3.90 2.79 -0.58 0.27 -4.95 120.64 116.17 2bub n GLU 408 Ca -0.19 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.46 2bub n GLU 408 Cb 0.54 -0.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.60 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 -1.45 -0.12 -0.16 0.62 0.00 -1.17 -4.83 121.76 114.65 2bub s ALA 409 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 2bub s ALA 409 Cb 0.00 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.53 2bub s ALA 409 CO 0.00 -0.43 0.41 -0.48 0.00 0.00 0.00 175.76 175.27 2bub s LEU 410 N -2.58 0.31 0.00 0.00 2.34 -1.26 -1.52 118.68 115.97 2bub s LEU 410 Ca 0.01 0.85 0.00 0.00 0.06 0.00 0.00 54.13 55.05 2bub s LEU 410 Cb 0.03 1.40 -0.00 0.00 -0.56 0.00 0.00 46.19 47.06 2bub s LEU 410 CO -0.08 -0.15 0.01 0.35 -1.06 0.00 0.00 176.35 175.42 2bub n THR 411 N 3.14 0.00 0.22 5.48 -2.24 0.65 -4.95 114.28 116.58 2bub n THR 411 Ca -0.15 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.21 2bub n THR 411 Cb 0.57 0.13 0.50 0.00 -2.10 0.00 0.00 70.33 69.43 2bub n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2bub h SER 412 N 0.29 0.00 0.00 3.42 4.64 -2.02 -3.31 113.55 116.57 2bub h SER 412 Ca -0.08 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 2bub h SER 412 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2bub h SER 412 CO 0.13 0.26 -1.91 0.47 -0.87 0.00 0.00 176.83 174.91 2bub n ASP 413 N -3.66 1.06 -3.92 4.97 8.00 -1.26 -4.80 116.55 116.94 2bub n ASP 413 Ca -0.01 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 2bub n ASP 413 Cb 0.38 1.44 -0.15 0.00 -0.02 0.00 0.00 41.12 42.77 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 -2.89 0.52 -0.10 1.24 2.02 -1.25 -1.51 117.35 115.38 2bub s TYR 414 Ca -0.07 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 2bub s TYR 414 Cb 0.09 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.18 2bub s TYR 414 CO 0.69 -0.08 0.15 -1.17 -1.57 0.00 0.00 175.55 173.57 2bub s LEU 415 N 0.37 4.39 -0.13 -1.29 0.20 -1.11 -0.26 118.68 120.86 2bub s LEU 415 Ca -0.04 0.47 0.02 0.00 0.69 0.00 0.00 54.13 55.27 2bub s LEU 415 Cb -0.08 -2.15 0.01 0.00 -0.43 0.00 0.00 46.19 43.55 2bub s LEU 415 CO -0.00 0.39 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.95 2bub s TYR 416 N -1.07 2.34 0.10 5.38 1.51 -0.58 -2.00 117.35 123.04 2bub s TYR 416 Ca 0.17 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 2bub s TYR 416 Cb -0.12 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2bub s TYR 416 CO 0.06 -0.56 -0.08 1.52 -1.11 0.00 0.00 175.55 175.38 2bub s TYR 417 N 0.93 1.00 -0.13 2.71 1.13 -0.94 0.94 117.35 122.98 2bub s TYR 417 Ca -0.06 -0.78 -0.10 0.00 -1.41 0.00 0.00 57.07 54.72 2bub s TYR 417 Cb -0.15 -0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 40.11 2bub s TYR 417 CO -0.02 -0.06 0.20 0.42 -2.51 0.00 0.00 175.55 173.58 2bub s ILE 418 N -3.07 5.39 0.37 -3.49 1.01 -0.83 -0.22 121.20 120.35 2bub s ILE 418 Ca 0.09 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.13 2bub s ILE 418 Cb 0.01 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2bub s ILE 418 CO -0.02 0.54 0.18 -0.94 0.00 0.00 0.00 174.94 174.70 2bub s SER 419 N -0.48 2.27 -0.43 3.58 1.04 0.45 -0.46 113.70 119.66 2bub s SER 419 Ca 0.15 -1.69 0.05 0.00 0.48 0.00 0.00 55.95 54.94 2bub s SER 419 Cb -0.13 0.51 0.43 0.00 0.10 0.00 0.00 66.02 66.94 2bub s SER 419 CO 0.04 -0.97 1.30 -0.46 0.98 0.00 0.00 173.24 174.12 2bub n ASN 420 N -1.33 5.28 -0.01 7.02 2.04 -1.23 -0.25 115.26 126.78 2bub n ASN 420 Ca -0.01 -3.75 -0.21 0.00 -0.44 0.00 0.00 54.58 50.17 2bub n ASN 420 Cb 0.64 -0.50 -0.14 0.00 -2.53 0.00 0.00 39.78 37.25 2bub n ASN 420 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2bub n GLU 421 N -0.62 0.74 -1.30 -3.83 2.13 -1.26 -4.26 120.64 112.25 2bub n GLU 421 Ca 0.44 0.26 -0.58 0.00 0.66 0.00 0.00 57.16 57.94 2bub n GLU 421 Cb 0.76 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.67 2bub n GLU 421 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2bub n TYR 422 N -3.48 1.26 -1.63 4.31 9.36 -1.26 -0.51 117.16 125.21 2bub n TYR 422 Ca -0.34 0.65 -0.16 0.00 3.32 0.00 0.00 57.90 61.37 2bub n TYR 422 Cb 1.03 -2.35 -0.06 0.00 -0.63 0.00 0.00 39.34 37.34 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 7.67 -1.17 -1.45 2.98 5.02 -1.26 -2.52 118.16 127.43 2bub n LYS 423 Ca 0.52 1.03 -0.15 0.00 -2.02 0.00 0.00 58.31 57.68 2bub n LYS 423 Cb 0.02 -5.26 -0.07 0.00 -0.02 0.00 0.00 35.03 29.71 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 -0.98 1.51 3.45 0.72 0.00 0.33 -4.91 105.19 105.31 2bub n GLY 424 Ca -0.17 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.28 3.12 0.36 1.61 -1.94 -1.05 -4.90 119.30 113.23 2bub s MET 425 Ca 0.00 -0.84 0.19 0.00 -1.71 0.00 0.00 55.69 53.33 2bub s MET 425 Cb 0.00 -4.21 0.30 0.00 2.01 0.00 0.00 34.83 32.94 2bub s MET 425 CO 0.00 -1.72 1.56 -1.35 -0.01 0.00 0.00 175.02 173.51 2bub h PRO 426 N 9.46 0.00 0.00 2.03 0.11 -1.88 -2.56 132.00 139.16 2bub h PRO 426 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2bub h PRO 426 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2bub h PRO 426 CO 1.15 0.29 -0.25 0.78 -0.21 0.00 0.00 178.00 179.76 2bub h GLY 427 N 3.43 0.00 -2.03 -0.55 0.00 -1.91 -3.45 103.07 98.56 2bub h GLY 427 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2bub h GLY 427 CO 0.04 0.00 0.31 -0.32 0.00 0.00 0.00 176.54 176.56 2bub s GLY 428 N -4.28 2.16 -0.02 4.60 0.00 -0.97 -3.64 107.32 105.18 2bub s GLY 428 Ca -0.01 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.91 2bub s GLY 428 CO 0.64 0.43 -0.10 0.50 0.00 0.00 0.00 173.10 174.58 2bub s ARG 429 N -3.71 0.89 0.12 2.90 3.00 -0.96 -4.05 118.95 117.14 2bub s ARG 429 Ca 0.58 -0.34 -0.11 0.00 0.00 0.00 0.00 55.73 55.86 2bub s ARG 429 Cb -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 34.95 34.02 2bub s ARG 429 CO 0.25 0.18 0.29 -0.80 0.00 0.00 0.00 175.30 175.21 2bub s ASN 430 N -0.07 -0.01 -0.02 0.23 0.01 0.65 -3.06 114.94 112.67 2bub s ASN 430 Ca 0.01 -0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 51.54 2bub s ASN 430 Cb -0.06 0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 2bub s ASN 430 CO -0.00 -0.82 0.11 -0.22 -1.51 0.00 0.00 177.10 174.66 2bub s LEU 431 N -2.87 4.06 0.22 0.60 2.96 -1.26 -0.41 118.68 121.97 2bub s LEU 431 Ca 0.07 0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.22 2bub s LEU 431 Cb 0.03 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2bub s LEU 431 CO -0.08 0.29 0.11 -0.31 -1.32 0.00 0.00 176.35 175.03 2bub s TYR 432 N -1.19 1.28 -0.05 5.38 1.51 0.69 -1.03 117.35 123.94 2bub s TYR 432 Ca 0.23 -1.28 -0.02 0.00 -1.01 0.00 0.00 57.07 54.99 2bub s TYR 432 Cb -0.12 -0.69 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2bub s TYR 432 CO 0.13 -0.50 0.09 0.21 -1.11 0.00 0.00 175.55 174.38 2bub s LYS 433 N -4.09 0.03 -0.18 -0.62 2.20 -0.67 -2.22 119.74 114.20 2bub s LYS 433 Ca 0.37 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 2bub s LYS 433 Cb 0.07 -0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.18 2bub s LYS 433 CO 0.11 -0.18 -0.17 0.42 -0.36 0.00 0.00 175.35 175.18 2bub s ILE 434 N 1.19 2.40 0.01 5.43 1.01 -0.85 -1.08 121.20 129.31 2bub s ILE 434 Ca -0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 2bub s ILE 434 Cb -0.12 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 2bub s ILE 434 CO -0.05 0.52 1.43 -1.10 0.00 0.00 0.00 174.94 175.74 2bub s GLN 435 N 1.16 4.27 0.28 2.79 -0.21 -0.67 -2.75 119.66 124.54 2bub s GLN 435 Ca 0.01 2.00 0.15 0.00 0.02 0.00 0.00 55.36 57.55 2bub s GLN 435 Cb -0.14 -3.57 0.22 0.00 1.00 0.00 0.00 33.01 30.52 2bub s GLN 435 CO -0.07 -0.59 1.51 -0.07 -2.12 0.00 0.00 175.29 173.95 2bub h LEU 436 N 8.35 0.00 -0.47 2.90 3.38 -1.58 -3.01 115.31 124.87 2bub h LEU 436 Ca -0.38 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.41 2bub h LEU 436 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2bub h LEU 436 CO 0.90 0.54 -0.65 0.77 0.09 0.00 0.00 178.44 180.09 2bub h SER 437 N 0.00 0.51 -3.29 -0.43 4.64 -1.89 -3.41 113.55 109.68 2bub h SER 437 Ca -0.01 -0.31 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 2bub h SER 437 Cb 1.29 -0.15 -0.40 0.00 -0.31 0.00 0.00 62.40 62.83 2bub h SER 437 CO 0.07 1.02 -0.76 -0.62 -0.87 0.00 0.00 176.83 175.67 2bub s ASP 438 N -6.95 3.52 0.20 4.97 -1.08 -1.14 -5.00 116.67 111.19 2bub s ASP 438 Ca -0.06 -1.21 0.20 0.00 -0.52 0.00 0.00 52.55 50.96 2bub s ASP 438 Cb 0.11 -0.80 0.88 0.00 -1.46 0.00 0.00 42.92 41.65 2bub s ASP 438 CO 0.84 -0.34 1.62 -1.22 0.52 0.00 0.00 175.17 176.58 2bub n TYR 439 N 4.90 0.59 0.98 -5.34 4.01 -1.22 -0.71 117.16 120.38 2bub n TYR 439 Ca -0.07 0.25 0.13 0.00 -0.16 0.00 0.00 57.90 58.06 2bub n TYR 439 Cb 0.45 -0.90 0.51 0.00 -0.31 0.00 0.00 39.34 39.08 2bub n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2bub n THR 440 N -2.06 0.02 -3.04 -0.72 -2.24 -1.26 -4.69 114.28 100.29 2bub n THR 440 Ca 0.02 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 2bub n THR 440 Cb 0.18 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 2bub n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bub s LYS 441 N -3.00 3.09 -0.18 -0.78 -0.14 0.11 -4.99 119.74 113.85 2bub s LYS 441 Ca 0.13 -1.05 -0.02 0.00 -1.36 0.00 0.00 55.97 53.67 2bub s LYS 441 Cb 0.18 -4.21 0.05 0.00 -1.68 0.00 0.00 37.83 32.18 2bub s LYS 441 CO 0.58 -1.54 0.01 0.08 -0.76 0.00 0.00 175.35 173.73 2bub s VAL 442 N 3.07 0.66 -0.21 3.17 1.01 -1.26 -1.67 120.40 125.17 2bub s VAL 442 Ca 0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2bub s VAL 442 Cb -0.21 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2bub s VAL 442 CO 0.09 -0.11 0.05 -0.89 0.00 0.00 0.00 175.10 174.25 2bub s THR 443 N 1.80 4.43 -0.11 3.92 2.01 -0.24 -4.95 115.64 122.51 2bub s THR 443 Ca -0.01 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2bub s THR 443 Cb -0.16 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2bub s THR 443 CO -0.07 0.40 1.13 0.00 -0.69 0.00 0.00 174.62 175.38 2bub n LEU 445 N 5.46 0.68 0.00 0.00 4.77 -0.20 -4.54 117.00 123.17 2bub n LEU 445 Ca 0.11 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2bub n LEU 445 Cb 0.47 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2bub n LEU 445 CO 0.54 0.12 -0.37 -1.54 -1.33 0.00 0.00 177.39 174.81 2bub n SER 446 N -1.74 3.73 -0.58 -1.43 3.41 -1.21 -4.73 113.62 111.07 2bub n SER 446 Ca 0.03 0.00 0.46 0.00 -0.26 0.00 0.00 58.87 59.10 2bub n SER 446 Cb 0.39 0.49 0.74 0.00 -0.26 0.00 0.00 64.21 65.57 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 -4.35 0.31 0.22 0.00 -0.58 -1.26 -4.40 120.64 110.57 2bub n GLU 448 Ca 0.42 -0.84 0.18 0.00 -0.42 0.00 0.00 57.16 56.50 2bub n GLU 448 Cb 1.77 -1.01 0.83 0.00 -0.57 0.00 0.00 31.44 32.47 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 0.06 0.00 0.00 -4.62 3.38 -1.70 -3.37 115.31 109.07 2bub h LEU 449 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bub h LEU 449 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bub h LEU 449 CO 0.00 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.33 2bub n ASN 450 N -3.47 0.00 -0.06 -0.43 2.85 -1.26 -5.05 115.26 107.84 2bub n ASN 450 Ca 0.02 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.63 2bub n ASN 450 Cb 0.41 0.00 0.55 0.00 1.24 0.00 0.00 39.78 41.98 2bub n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2bub h PRO 451 N 0.00 0.28 0.00 1.20 0.13 -1.77 -1.80 132.00 130.04 2bub h PRO 451 Ca 0.00 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 64.89 2bub h PRO 451 Cb 0.00 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.03 2bub h PRO 451 CO 0.00 0.19 -1.49 0.93 -0.23 0.00 0.00 178.00 177.39 2bub h GLU 452 N 0.29 0.00 0.00 0.86 5.08 -1.96 -3.38 114.58 115.47 2bub h GLU 452 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2bub h GLU 452 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2bub h GLU 452 CO -0.06 0.40 -1.94 -2.13 -1.00 0.00 0.00 179.01 174.27 2bub n ARG 453 N -2.98 0.63 -3.81 2.33 0.63 -1.16 -4.64 116.66 107.66 2bub n ARG 453 Ca -0.12 -0.19 -0.29 0.00 -0.92 0.00 0.00 57.85 56.34 2bub n ARG 453 Cb 0.93 -1.51 -0.16 0.00 0.45 0.00 0.00 32.46 32.17 2bub n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bub n GLN 455 N 4.91 0.12 -3.41 0.00 6.02 0.23 -4.61 117.38 120.64 2bub n GLN 455 Ca -0.10 -1.00 -0.17 0.00 -0.01 0.00 0.00 57.00 55.73 2bub n GLN 455 Cb 0.46 -0.57 -0.10 0.00 1.02 0.00 0.00 30.24 31.06 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 -0.18 -0.48 -0.07 1.08 6.14 -1.02 -2.26 117.35 120.55 2bub s TYR 456 Ca 0.02 -0.04 0.02 0.00 0.64 0.00 0.00 57.07 57.71 2bub s TYR 456 Cb 0.02 -0.41 -0.02 0.00 0.42 0.00 0.00 41.96 41.97 2bub s TYR 456 CO 0.00 -0.87 -0.13 0.71 0.64 0.00 0.00 175.55 175.90 2bub s TYR 457 N 2.38 2.76 0.14 4.97 2.02 -1.17 -2.11 117.35 126.33 2bub s TYR 457 Ca 0.09 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 2bub s TYR 457 Cb -0.14 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2bub s TYR 457 CO -0.29 0.09 -0.03 0.45 -1.57 0.00 0.00 175.55 174.20 2bub s SER 458 N -0.43 4.71 0.28 2.29 0.15 -0.06 -4.67 113.70 115.98 2bub s SER 458 Ca 0.05 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.36 2bub s SER 458 Cb -0.12 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 2bub s SER 458 CO 0.02 0.13 0.10 0.54 1.20 0.00 0.00 173.24 175.22 2bub s VAL 459 N -1.52 0.67 -0.30 4.45 0.11 -1.26 -1.49 120.40 121.06 2bub s VAL 459 Ca 0.26 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.28 2bub s VAL 459 Cb -0.10 -2.65 0.19 0.00 -1.53 0.00 0.00 36.38 32.29 2bub s VAL 459 CO 0.17 0.00 0.73 -0.55 -3.33 0.00 0.00 175.10 172.12 2bub s SER 460 N -3.37 -1.18 0.09 3.54 0.15 -0.93 -4.98 113.70 107.01 2bub s SER 460 Ca 0.37 0.48 -0.09 0.00 0.70 0.00 0.00 55.95 57.41 2bub s SER 460 Cb 0.08 1.89 -0.06 0.00 -1.71 0.00 0.00 66.02 66.22 2bub s SER 460 CO 0.14 -0.22 0.39 -0.36 1.20 0.00 0.00 173.24 174.40 2bub s PHE 461 N 2.88 3.56 0.83 3.44 0.08 -1.26 -2.23 117.98 125.28 2bub s PHE 461 Ca 0.15 0.74 -0.12 0.00 0.12 0.00 0.00 56.93 57.82 2bub s PHE 461 Cb -0.11 -2.13 0.09 0.00 -0.57 0.00 0.00 43.02 40.30 2bub s PHE 461 CO -0.21 0.51 1.11 -1.54 -0.10 0.00 0.00 175.22 174.99 2bub s SER 462 N -1.87 4.18 0.45 1.36 1.04 0.13 -4.85 113.70 114.13 2bub s SER 462 Ca 0.34 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 2bub s SER 462 Cb -0.13 -1.85 -0.14 0.00 0.10 0.00 0.00 66.02 63.99 2bub s SER 462 CO 0.19 -2.15 -0.08 0.29 0.98 0.00 0.00 173.24 172.46 2bub n LYS 463 N -3.53 0.00 -0.32 4.02 5.02 -0.96 0.50 118.16 122.89 2bub n LYS 463 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2bub n LYS 463 Cb 0.57 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 2bub n LYS 463 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2bub n GLU 464 N 1.38 0.00 -3.53 1.97 1.02 -1.26 -2.54 120.64 117.68 2bub n GLU 464 Ca 0.08 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.00 2bub n GLU 464 Cb 0.43 -3.50 0.08 0.00 -0.02 0.00 0.00 31.44 28.43 2bub n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bub n ALA 465 N 0.96 -1.48 -0.13 0.62 0.00 0.18 -4.88 120.51 115.79 2bub n ALA 465 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 2bub n ALA 465 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 19.45 14.85 2bub n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bub h LYS 466 N -2.45 0.94 -4.99 0.00 1.63 -1.64 -3.43 116.57 106.64 2bub h LYS 466 Ca -0.56 -0.44 -0.39 0.00 -0.85 0.00 0.00 60.65 58.41 2bub h LYS 466 Cb 1.35 -0.01 -0.25 0.00 -0.60 0.00 0.00 32.23 32.73 2bub h LYS 466 CO 0.53 1.10 -0.77 0.71 -3.45 0.00 0.00 179.45 177.57 2bub s TYR 467 N -4.53 0.98 0.02 1.91 1.51 -1.26 -0.25 117.35 115.73 2bub s TYR 467 Ca -0.11 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 2bub s TYR 467 Cb 0.12 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 2bub s TYR 467 CO 0.87 0.00 -0.24 1.52 -1.11 0.00 0.00 175.55 176.60 2bub s TYR 468 N -0.85 2.10 -0.25 2.71 1.13 -0.81 -0.69 117.35 120.69 2bub s TYR 468 Ca -0.01 -0.40 -0.10 0.00 -1.41 0.00 0.00 57.07 55.16 2bub s TYR 468 Cb -0.07 -1.29 -0.04 0.00 -1.10 0.00 0.00 41.96 39.45 2bub s TYR 468 CO 0.01 0.05 0.14 -1.14 -2.51 0.00 0.00 175.55 172.10 2bub s GLN 469 N -0.94 3.94 0.26 -3.49 0.74 -0.95 -0.77 119.66 118.46 2bub s GLN 469 Ca 0.10 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 2bub s GLN 469 Cb -0.09 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2bub s GLN 469 CO 0.01 -0.03 0.46 -0.51 -0.55 0.00 0.00 175.29 174.67 2bub s LEU 470 N 1.29 4.14 -0.32 3.68 1.43 -0.36 -2.20 118.68 126.35 2bub s LEU 470 Ca 0.07 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2bub s LEU 470 Cb -0.14 -3.27 0.12 0.00 0.03 0.00 0.00 46.19 42.92 2bub s LEU 470 CO 0.06 -0.14 0.18 -0.60 0.23 0.00 0.00 176.35 176.08 2bub s ARG 471 N -3.63 0.36 0.97 1.70 3.52 -0.56 -2.01 118.95 119.30 2bub s ARG 471 Ca 0.40 -0.84 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 2bub s ARG 471 Cb -0.10 -1.16 0.17 0.00 -1.56 0.00 0.00 34.95 32.29 2bub s ARG 471 CO 0.31 -1.10 1.09 0.00 -0.81 0.00 0.00 175.30 174.78 2bub n SER 473 N -4.14 0.00 -3.54 0.00 7.64 -0.90 -3.65 113.62 109.04 2bub n SER 473 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 2bub n SER 473 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 2bub n SER 473 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2bub s GLY 474 N -0.33 -0.41 0.00 0.23 0.00 -1.26 -1.68 107.32 103.87 2bub s GLY 474 Ca 0.00 1.55 0.22 0.00 0.00 0.00 0.00 44.72 46.49 2bub s GLY 474 CO 0.00 0.82 1.43 -1.55 0.00 0.00 0.00 173.10 173.81 2bub n PRO 475 N 0.52 2.31 -0.01 2.90 -0.04 -0.90 0.75 135.00 140.54 2bub n PRO 475 Ca -0.13 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2bub n PRO 475 Cb 0.59 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.41 1.55 3.80 0.55 0.00 -0.45 -4.68 105.19 107.37 2bub n GLY 476 Ca 0.18 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 3.94 0.77 0.99 1.43 -1.26 -4.65 118.68 119.90 2bub s LEU 477 Ca 0.00 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 2bub s LEU 477 Cb 0.00 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.81 2bub s LEU 477 CO 0.00 -0.59 1.21 -2.84 0.23 0.00 0.00 176.35 174.36 2bub s PRO 478 N -3.04 1.89 -0.08 1.29 0.02 -1.26 -4.74 135.00 129.07 2bub s PRO 478 Ca 0.64 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 2bub s PRO 478 Cb -0.15 -1.80 0.04 0.00 0.02 0.00 0.00 34.50 32.61 2bub s PRO 478 CO 0.19 -2.03 0.15 -1.17 -0.33 0.00 0.00 177.00 173.81 2bub s LEU 479 N -5.43 0.00 -0.29 -5.54 0.20 -1.24 -4.45 118.68 101.93 2bub s LEU 479 Ca 0.74 0.30 -0.06 0.00 0.69 0.00 0.00 54.13 55.80 2bub s LEU 479 Cb -0.29 0.23 0.02 0.00 -0.43 0.00 0.00 46.19 45.72 2bub s LEU 479 CO 0.48 -0.24 0.05 -0.31 -0.29 0.00 0.00 176.35 176.04 2bub s TYR 480 N 2.21 3.15 0.26 5.38 1.51 -0.34 -0.36 117.35 129.15 2bub s TYR 480 Ca 0.03 -1.17 0.11 0.00 -1.01 0.00 0.00 57.07 55.03 2bub s TYR 480 Cb -0.12 -2.21 -0.05 0.00 -0.11 0.00 0.00 41.96 39.47 2bub s TYR 480 CO -0.05 -0.63 -0.19 0.95 -1.11 0.00 0.00 175.55 174.52 2bub s THR 481 N 1.45 2.34 -0.08 -0.71 -4.23 -0.85 0.11 115.64 113.67 2bub s THR 481 Ca 0.01 -2.36 0.03 0.00 -1.18 0.00 0.00 61.69 58.20 2bub s THR 481 Cb -0.17 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2bub s THR 481 CO 0.01 -0.42 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.28 2bub s LEU 482 N -3.43 1.80 0.21 4.79 2.96 -0.65 -1.22 118.68 123.14 2bub s LEU 482 Ca 0.28 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2bub s LEU 482 Cb -0.04 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 2bub s LEU 482 CO 0.13 0.08 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.22 2bub s HIS 483 N 0.56 1.49 0.00 5.38 3.76 0.05 0.04 115.29 126.57 2bub s HIS 483 Ca -0.16 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 53.86 2bub s HIS 483 Cb -0.17 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 2bub s HIS 483 CO 0.05 -0.03 0.05 -1.54 -0.85 0.00 0.00 174.74 172.42 2bub s SER 484 N -3.27 5.45 0.04 1.40 1.04 -0.13 -1.92 113.70 116.30 2bub s SER 484 Ca 0.26 0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.53 2bub s SER 484 Cb 0.05 -1.50 -0.15 0.00 0.10 0.00 0.00 66.02 64.52 2bub s SER 484 CO 0.07 0.27 1.47 0.28 0.98 0.00 0.00 173.24 176.31 2bub h SER 485 N 4.11 0.13 0.00 7.02 0.02 -0.89 -2.53 113.55 121.41 2bub h SER 485 Ca -0.49 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2bub h SER 485 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2bub h SER 485 CO 0.61 0.40 0.00 0.52 -1.14 0.00 0.00 176.83 177.21 2bub n VAL 486 N -4.85 0.00 -1.56 2.27 0.31 -1.26 -2.14 118.33 111.10 2bub n VAL 486 Ca -0.07 0.57 -0.04 0.00 -0.01 0.00 0.00 64.34 64.79 2bub n VAL 486 Cb 0.19 -0.78 0.18 0.00 -0.91 0.00 0.00 33.84 32.51 2bub n VAL 486 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2bub n ASN 487 N -1.88 2.64 -3.99 4.52 4.13 -1.26 -4.96 115.26 114.46 2bub n ASN 487 Ca 0.00 -3.83 -0.30 0.00 1.68 0.00 0.00 54.58 52.13 2bub n ASN 487 Cb 0.00 -0.59 -0.05 0.00 -1.54 0.00 0.00 39.78 37.61 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 -1.08 -0.67 -4.82 6.41 8.00 -0.91 -4.91 116.55 118.58 2bub n ASP 488 Ca 0.31 -1.05 -0.37 0.00 0.71 0.00 0.00 54.79 54.39 2bub n ASP 488 Cb 0.92 -1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 2bub n ASP 488 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2bub s LYS 489 N -6.73 3.90 -0.07 -1.24 2.20 -1.09 -4.91 119.74 111.79 2bub s LYS 489 Ca 0.14 0.24 -0.28 0.00 -0.36 0.00 0.00 55.97 55.71 2bub s LYS 489 Cb -0.08 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2bub s LYS 489 CO 0.80 0.60 0.92 0.20 -0.36 0.00 0.00 175.35 177.52 2bub s GLY 490 N -0.70 2.57 -0.20 5.54 0.00 -1.26 -0.96 107.32 112.31 2bub s GLY 490 Ca 0.21 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.11 2bub s GLY 490 CO 0.09 1.67 -0.08 1.04 0.00 0.00 0.00 173.10 175.82 2bub n LEU 491 N 4.41 1.88 -3.76 0.66 4.77 0.11 -4.95 117.00 120.12 2bub n LEU 491 Ca 0.05 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2bub n LEU 491 Cb 0.50 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2bub n LEU 491 CO 0.51 0.06 0.03 -0.13 -1.33 0.00 0.00 177.39 176.52 2bub s ARG 492 N -2.43 0.68 -0.63 3.23 0.52 -1.18 -5.02 118.95 114.13 2bub s ARG 492 Ca -0.27 -0.20 -0.23 0.00 -0.52 0.00 0.00 55.73 54.52 2bub s ARG 492 Cb 0.06 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.90 2bub s ARG 492 CO 0.45 -0.19 0.93 0.08 0.02 0.00 0.00 175.30 176.59 2bub s VAL 493 N -1.37 4.38 0.16 3.52 1.01 -1.26 -1.63 120.40 125.21 2bub s VAL 493 Ca -0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2bub s VAL 493 Cb -0.05 -4.63 0.05 0.00 0.00 0.00 0.00 36.38 31.76 2bub s VAL 493 CO 0.04 -1.34 1.77 -0.07 0.00 0.00 0.00 175.10 175.49 2bub h LEU 494 N 11.14 0.67 -7.11 3.92 3.38 0.53 -3.44 115.31 124.40 2bub h LEU 494 Ca -0.28 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2bub h LEU 494 Cb 1.07 -0.17 -0.25 0.00 0.09 0.00 0.00 40.66 41.40 2bub h LEU 494 CO 1.15 0.58 -0.27 -0.70 0.09 0.00 0.00 178.44 179.29 2bub s GLU 495 N -5.81 0.43 0.00 1.13 2.56 -0.81 -4.99 118.70 111.20 2bub s GLU 495 Ca -0.13 1.08 0.12 0.00 0.00 0.00 0.00 54.97 56.04 2bub s GLU 495 Cb 0.12 0.34 -0.03 0.00 2.00 0.00 0.00 34.13 36.56 2bub s GLU 495 CO 0.76 -0.21 0.64 -0.40 -0.56 0.00 0.00 175.26 175.49 2bub n ASP 496 N 5.04 1.14 -3.41 -1.70 5.75 -1.26 -1.20 116.55 120.91 2bub n ASP 496 Ca -0.14 -1.07 -0.23 0.00 -0.01 0.00 0.00 54.79 53.34 2bub n ASP 496 Cb 0.52 0.59 0.07 0.00 -1.03 0.00 0.00 41.12 41.26 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 -0.45 -6.29 0.05 -1.12 3.02 -1.26 -4.84 115.26 104.37 2bub n ASN 497 Ca 0.04 -0.47 -0.20 0.00 -0.03 0.00 0.00 54.58 53.92 2bub n ASN 497 Cb 0.23 -4.97 -0.13 0.00 -0.61 0.00 0.00 39.78 34.31 2bub n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2bub h SER 498 N -2.34 0.67 0.00 6.41 4.64 -1.94 -2.90 113.55 118.08 2bub h SER 498 Ca -0.55 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 59.93 2bub h SER 498 Cb 1.36 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2bub h SER 498 CO 0.56 1.44 0.23 0.00 -0.87 0.00 0.00 176.83 178.19 2bub n ALA 499 N -2.65 0.71 -0.10 5.18 0.00 -1.26 -0.58 120.51 121.81 2bub n ALA 499 Ca -0.13 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2bub n ALA 499 Cb 0.85 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 2bub n ALA 499 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2bub n LEU 500 N -2.06 0.85 -0.08 0.00 0.00 -1.20 -3.92 117.00 110.59 2bub n LEU 500 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 2bub n LEU 500 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 43.42 43.74 2bub n LEU 500 CO 0.06 0.60 0.89 -0.78 0.00 0.00 0.00 177.39 178.17 2bub h ASP 501 N 0.00 0.36 0.17 1.96 3.58 -0.64 -1.84 116.42 120.03 2bub h ASP 501 Ca -0.53 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 56.78 2bub h ASP 501 Cb 2.14 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 43.06 2bub h ASP 501 CO 0.01 0.42 -0.38 0.11 -2.88 0.00 0.00 179.24 176.52 2bub h LYS 502 N 0.29 -0.62 -0.70 0.28 1.57 -1.45 -2.67 116.57 113.27 2bub h LYS 502 Ca 0.09 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 2bub h LYS 502 Cb 0.16 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 2bub h LYS 502 CO -0.01 -0.41 -0.37 0.52 -0.57 0.00 0.00 179.45 178.60 2bub h MET 503 N -0.64 -0.12 0.00 3.15 2.86 -1.65 -1.94 114.93 116.58 2bub h MET 503 Ca 0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2bub h MET 503 Cb 0.65 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2bub h MET 503 CO -0.19 -0.08 0.00 1.28 1.06 0.00 0.00 176.91 178.98 2bub n LEU 504 N -5.43 0.27 0.13 1.22 4.77 -0.70 -0.04 117.00 117.22 2bub n LEU 504 Ca 0.05 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 2bub n LEU 504 Cb 0.36 -0.57 0.16 0.00 -2.33 0.00 0.00 43.42 41.05 2bub n LEU 504 CO -0.04 -0.49 0.48 1.56 -1.33 0.00 0.00 177.39 177.58 2bub h GLN 505 N 0.00 0.00 -0.08 3.23 4.20 -1.01 -2.75 115.11 118.70 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 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2bub h GLN 505 CO 0.00 0.63 0.00 0.09 -0.67 0.00 0.00 178.83 178.88 2bub n ASN 506 N -3.79 0.08 -4.31 1.46 3.02 0.95 -4.84 115.26 107.83 2bub n ASN 506 Ca -0.01 -1.64 -0.19 0.00 -0.03 0.00 0.00 54.58 52.70 2bub n ASN 506 Cb 0.63 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 2bub n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2bub s VAL 507 N -1.91 1.63 -1.28 2.41 0.11 -1.04 -4.14 120.40 116.19 2bub s VAL 507 Ca 0.00 -1.97 -0.10 0.00 -2.93 0.00 0.00 61.98 56.99 2bub s VAL 507 Cb 0.00 -1.83 0.17 0.00 -1.53 0.00 0.00 36.38 33.19 2bub s VAL 507 CO 0.00 -0.46 1.86 0.00 -3.33 0.00 0.00 175.10 173.17 2bub n GLN 508 N 0.11 3.61 -2.30 1.54 6.02 -0.77 -4.98 117.38 120.62 2bub n GLN 508 Ca -0.12 -3.54 -0.37 0.00 -0.01 0.00 0.00 57.00 52.96 2bub n GLN 508 Cb 0.58 -2.93 -0.02 0.00 1.02 0.00 0.00 30.24 28.90 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 0.44 3.91 0.56 -1.09 -1.94 -1.26 -4.51 119.30 115.41 2bub s MET 509 Ca 0.40 1.77 -0.10 0.00 -1.71 0.00 0.00 55.69 56.05 2bub s MET 509 Cb 0.09 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 2bub s MET 509 CO 0.00 -0.43 0.94 -1.25 -0.01 0.00 0.00 175.02 174.28 2bub s PRO 510 N -2.53 3.61 -0.03 2.03 0.05 -1.26 -4.28 135.00 132.60 2bub s PRO 510 Ca 0.61 0.59 0.04 0.00 0.05 0.00 0.00 61.00 62.28 2bub s PRO 510 Cb -0.29 -2.18 -0.03 0.00 0.05 0.00 0.00 34.50 32.05 2bub s PRO 510 CO 0.35 -0.42 -0.13 -1.54 0.05 0.00 0.00 177.00 175.31 2bub s SER 511 N -4.04 4.14 -0.10 6.66 1.04 -0.11 -4.92 113.70 116.37 2bub s SER 511 Ca 0.53 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.51 2bub s SER 511 Cb -0.11 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 2bub s SER 511 CO 0.49 0.32 0.70 -0.75 0.98 0.00 0.00 173.24 174.98 2bub s LYS 512 N -0.99 4.39 -0.10 4.02 2.20 -1.26 0.01 119.74 128.02 2bub s LYS 512 Ca 0.13 0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 56.57 2bub s LYS 512 Cb -0.11 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2bub s LYS 512 CO 0.03 -0.01 -0.02 0.21 -0.36 0.00 0.00 175.35 175.19 2bub s LYS 513 N 1.09 3.09 -0.34 4.03 2.20 0.11 -4.93 119.74 124.98 2bub s LYS 513 Ca 0.36 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2bub s LYS 513 Cb -0.17 -2.78 0.11 0.00 -1.51 0.00 0.00 37.83 33.48 2bub s LYS 513 CO 0.16 0.59 0.14 -1.17 -0.36 0.00 0.00 175.35 174.72 2bub s LEU 514 N -0.59 2.05 0.00 5.43 0.20 -1.26 0.18 118.68 124.69 2bub s LEU 514 Ca 0.10 -1.87 0.00 0.00 0.69 0.00 0.00 54.13 53.04 2bub s LEU 514 Cb -0.12 -0.81 0.00 0.00 -0.43 0.00 0.00 46.19 44.84 2bub s LEU 514 CO 0.02 -0.38 0.00 -0.67 -0.29 0.00 0.00 176.35 175.04 2bub n ASP 515 N 4.52 0.75 -3.83 3.68 -0.08 -0.95 -4.99 116.55 115.65 2bub n ASP 515 Ca 0.01 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.20 2bub n ASP 515 Cb 0.40 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.80 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 0.38 0.12 0.48 -0.67 -0.12 -1.26 -1.83 117.98 115.08 2bub s PHE 516 Ca 0.00 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.40 2bub s PHE 516 Cb 0.00 0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2bub s PHE 516 CO 0.00 -0.66 0.05 0.96 -0.05 0.00 0.00 175.22 175.52 2bub s ILE 517 N -3.88 0.90 0.12 -4.49 -4.36 0.65 -4.94 121.20 105.20 2bub s ILE 517 Ca 0.08 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.54 2bub s ILE 517 Cb 0.03 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 2bub s ILE 517 CO -0.07 0.00 -0.05 -0.63 0.24 0.00 0.00 174.94 174.43 2bub s ILE 518 N -3.00 3.62 -0.26 8.37 -1.09 -1.26 -1.39 121.20 126.19 2bub s ILE 518 Ca 0.11 -1.25 -0.02 0.00 -2.23 0.00 0.00 60.65 57.26 2bub s ILE 518 Cb 0.01 -2.74 0.15 0.00 -1.58 0.00 0.00 42.46 38.31 2bub s ILE 518 CO 0.07 0.05 0.42 -0.76 -1.23 0.00 0.00 174.94 173.49 2bub s LEU 519 N -2.45 -0.80 -1.40 2.97 1.02 -0.51 -4.91 118.68 112.60 2bub s LEU 519 Ca 0.24 0.26 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 2bub s LEU 519 Cb -0.11 1.31 0.02 0.00 0.02 0.00 0.00 46.19 47.43 2bub s LEU 519 CO 0.16 -0.30 0.22 0.59 0.02 0.00 0.00 176.35 177.04 2bub n ASN 520 N 5.38 -0.69 0.00 2.29 3.02 -1.26 -1.90 115.26 122.09 2bub n ASN 520 Ca -0.02 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2bub n ASN 520 Cb 0.50 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 2bub n ASN 520 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2bub n GLU 521 N -4.65 0.00 -4.01 3.52 2.13 -1.26 -5.05 120.64 111.31 2bub n GLU 521 Ca -0.25 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.35 2bub n GLU 521 Cb 0.63 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.31 2bub n GLU 521 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2bub s THR 522 N -0.71 5.02 -0.16 6.31 2.01 -0.80 -5.07 115.64 122.25 2bub s THR 522 Ca 0.00 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 2bub s THR 522 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2bub s THR 522 CO 0.00 -0.29 0.53 -0.54 -0.69 0.00 0.00 174.62 173.62 2bub s LYS 523 N -3.81 4.26 0.01 4.92 1.02 -1.26 -1.42 119.74 123.47 2bub s LYS 523 Ca 0.34 0.47 0.07 0.00 0.02 0.00 0.00 55.97 56.87 2bub s LYS 523 Cb -0.09 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2bub s LYS 523 CO 0.28 -0.04 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.39 2bub s PHE 524 N 1.26 1.89 0.10 3.18 0.08 -0.48 -4.99 117.98 119.02 2bub s PHE 524 Ca 0.26 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.98 2bub s PHE 524 Cb -0.15 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 2bub s PHE 524 CO 0.10 0.03 0.06 -1.58 -0.10 0.00 0.00 175.22 173.74 2bub s TRP 525 N -0.65 3.11 0.16 0.36 0.52 -1.26 -0.25 118.94 120.93 2bub s TRP 525 Ca 0.08 0.02 -0.14 0.00 0.02 0.00 0.00 56.10 56.08 2bub s TRP 525 Cb -0.09 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 2bub s TRP 525 CO 0.01 0.51 0.41 1.52 0.02 0.00 0.00 176.95 179.42 2bub s TYR 526 N -1.43 0.00 0.26 -1.98 1.13 -0.76 -1.73 117.35 112.84 2bub s TYR 526 Ca 0.28 -0.35 0.10 0.00 -1.41 0.00 0.00 57.07 55.69 2bub s TYR 526 Cb -0.12 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.91 2bub s TYR 526 CO 0.21 -0.79 -0.16 1.14 -2.51 0.00 0.00 175.55 173.44 2bub s GLN 527 N -3.88 1.57 -0.05 -3.49 -2.07 -0.31 -2.25 119.66 109.19 2bub s GLN 527 Ca 0.09 -1.74 -0.01 0.00 -1.82 0.00 0.00 55.36 51.88 2bub s GLN 527 Cb 0.01 -1.50 0.03 0.00 -1.09 0.00 0.00 33.01 30.46 2bub s GLN 527 CO -0.05 0.23 0.03 -1.64 -1.32 0.00 0.00 175.29 172.54 2bub s MET 528 N -3.59 0.24 -0.49 9.60 -1.94 0.13 -1.47 119.30 121.78 2bub s MET 528 Ca 0.28 0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.18 2bub s MET 528 Cb -0.02 -0.66 0.03 0.00 2.01 0.00 0.00 34.83 36.20 2bub s MET 528 CO 0.12 -0.27 1.14 0.42 -0.01 0.00 0.00 175.02 176.42 2bub s ILE 529 N 1.81 4.18 -0.09 2.53 1.09 -1.15 0.06 121.20 129.63 2bub s ILE 529 Ca 0.01 1.15 -0.11 0.00 -1.10 0.00 0.00 60.65 60.60 2bub s ILE 529 Cb -0.12 -4.62 -0.05 0.00 -1.06 0.00 0.00 42.46 36.61 2bub s ILE 529 CO -0.03 -1.06 0.27 -0.76 -0.10 0.00 0.00 174.94 173.25 2bub s LEU 530 N 4.51 4.37 0.63 2.97 1.43 0.10 -3.12 118.68 129.57 2bub s LEU 530 Ca 0.47 0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 2bub s LEU 530 Cb -0.07 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2bub s LEU 530 CO 0.31 0.29 1.25 -2.65 0.23 0.00 0.00 176.35 175.78 2bub n PRO 531 N 2.40 1.17 -1.60 1.29 -0.02 -1.26 -0.93 135.00 136.05 2bub n PRO 531 Ca -0.16 0.45 -0.47 0.00 -2.02 0.00 0.00 63.50 61.30 2bub n PRO 531 Cb 0.53 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.63 1.35 -2.24 0.52 -0.04 -1.26 -2.70 135.00 129.00 2bub n PRO 532 Ca 0.15 0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 64.02 2bub n PRO 532 Cb 0.47 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.25 -0.40 -1.37 0.54 8.25 -1.26 -4.88 115.22 117.35 2bub n HIS 533 Ca 0.13 0.05 -0.52 0.00 -0.26 0.00 0.00 57.72 57.12 2bub n HIS 533 Cb 0.28 -1.97 -0.10 0.00 1.12 0.00 0.00 29.99 29.31 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 -3.88 1.26 -3.33 4.41 7.35 -1.10 -4.87 117.46 117.29 2bub n PHE 534 Ca -0.06 0.49 -0.42 0.00 -0.76 0.00 0.00 57.45 56.69 2bub n PHE 534 Cb 0.55 -2.41 -0.09 0.00 0.35 0.00 0.00 39.48 37.88 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 7.25 6.20 0.00 -2.13 -1.08 -1.26 -4.95 116.67 120.70 2bub s ASP 535 Ca 1.17 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 52.79 2bub s ASP 535 Cb -1.15 -2.22 0.73 0.00 -1.46 0.00 0.00 42.92 38.82 2bub s ASP 535 CO 0.55 -0.52 1.32 2.29 0.52 0.00 0.00 175.17 179.32 2bub n LYS 536 N 5.57 0.80 0.00 4.34 2.85 -1.26 -1.95 118.16 128.50 2bub n LYS 536 Ca -0.07 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.30 2bub n LYS 536 Cb 0.48 -1.24 0.08 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.74 1.84 -4.82 -5.58 3.41 -1.26 -4.32 113.62 102.15 2bub n SER 537 Ca 0.09 -1.40 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 2bub n SER 537 Cb 0.04 0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.48 3.02 -0.32 4.33 1.02 -0.82 -5.00 119.74 119.49 2bub s LYS 538 Ca 0.20 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 2bub s LYS 538 Cb 0.18 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2bub s LYS 538 CO 0.56 0.53 0.16 0.15 -0.92 0.00 0.00 175.35 175.83 2bub s LYS 539 N -2.84 3.30 0.49 1.68 1.02 -1.26 -4.27 119.74 117.86 2bub s LYS 539 Ca 0.31 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 2bub s LYS 539 Cb -0.11 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2bub s LYS 539 CO 0.24 -0.45 0.86 0.71 -0.92 0.00 0.00 175.35 175.79 2bub s TYR 540 N 1.62 3.53 0.99 3.18 1.51 0.72 -4.51 117.35 124.39 2bub s TYR 540 Ca 0.04 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.06 2bub s TYR 540 Cb -0.17 -2.50 0.19 0.00 -0.11 0.00 0.00 41.96 39.36 2bub s TYR 540 CO 0.07 -0.31 1.10 -1.25 -1.11 0.00 0.00 175.55 174.05 2bub s PRO 541 N -4.41 0.46 -0.17 -1.71 0.04 -1.26 -1.29 135.00 126.66 2bub s PRO 541 Ca 0.52 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.95 2bub s PRO 541 Cb -0.10 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.77 2bub s PRO 541 CO 0.40 -2.69 0.35 -1.17 0.04 0.00 0.00 177.00 173.92 2bub s LEU 542 N -6.41 -0.49 -0.27 -3.56 0.20 -0.72 -2.01 118.68 105.43 2bub s LEU 542 Ca 0.65 0.81 -0.19 0.00 0.69 0.00 0.00 54.13 56.10 2bub s LEU 542 Cb -0.18 1.06 -0.02 0.00 -0.43 0.00 0.00 46.19 46.62 2bub s LEU 542 CO 0.57 -0.23 0.57 -0.22 -0.29 0.00 0.00 176.35 176.75 2bub s LEU 543 N 2.52 4.08 -0.52 -0.68 0.20 0.17 -1.55 118.68 122.90 2bub s LEU 543 Ca -0.00 0.55 -0.23 0.00 0.69 0.00 0.00 54.13 55.14 2bub s LEU 543 Cb -0.12 -2.75 0.04 0.00 -0.43 0.00 0.00 46.19 42.93 2bub s LEU 543 CO -0.11 -0.36 0.83 -0.22 -0.29 0.00 0.00 176.35 176.21 2bub s LEU 544 N 2.43 4.34 -0.17 -0.68 2.96 -1.08 0.10 118.68 126.58 2bub s LEU 544 Ca 0.23 -0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 2bub s LEU 544 Cb -0.15 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2bub s LEU 544 CO 0.09 -1.08 0.59 -0.62 -1.32 0.00 0.00 176.35 174.01 2bub s ASP 545 N 2.65 6.69 -0.01 3.68 2.15 0.07 -2.20 116.67 129.69 2bub s ASP 545 Ca 0.27 0.83 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2bub s ASP 545 Cb -0.14 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2bub s ASP 545 CO 0.18 -0.19 -0.00 0.54 -0.17 0.00 0.00 175.17 175.52 2bub s VAL 546 N 1.54 0.09 0.00 1.11 0.11 -0.95 -4.31 120.40 117.99 2bub s VAL 546 Ca 0.28 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2bub s VAL 546 Cb -0.16 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2bub s VAL 546 CO 0.11 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 171.94 2bub n TYR 547 N 3.47 0.00 -2.05 1.54 9.36 -1.26 -4.23 117.16 124.00 2bub n TYR 547 Ca -0.18 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.90 2bub n TYR 547 Cb 0.56 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.25 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 -2.31 -0.37 -1.71 2.98 0.00 -1.26 -3.50 120.51 114.34 2bub n ALA 548 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 2bub n ALA 548 Cb 0.00 -1.64 0.09 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.49 1.61 0.14 0.00 0.00 -1.26 -4.84 107.32 100.49 2bub s GLY 549 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 2bub s GLY 549 CO 0.00 0.05 1.76 -4.14 0.00 0.00 0.00 173.10 170.77 2bub s PRO 550 N -5.32 4.15 -0.60 2.90 0.02 -1.26 -1.59 135.00 133.29 2bub s PRO 550 Ca 0.61 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 64.17 2bub s PRO 550 Cb -0.13 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.98 2bub s PRO 550 CO 0.52 -0.78 0.07 0.00 -0.33 0.00 0.00 177.00 176.48 2bub s SER 552 N -2.74 6.16 -0.10 0.00 1.04 -0.62 -4.03 113.70 113.42 2bub s SER 552 Ca 0.03 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2bub s SER 552 Cb -0.02 -1.63 0.04 0.00 0.10 0.00 0.00 66.02 64.52 2bub s SER 552 CO 0.04 -0.26 0.05 -1.58 0.98 0.00 0.00 173.24 172.48 2bub s GLN 553 N -4.11 0.23 -0.01 4.02 0.74 -1.26 -2.85 119.66 116.42 2bub s GLN 553 Ca 0.39 0.10 0.12 0.00 0.05 0.00 0.00 55.36 56.02 2bub s GLN 553 Cb -0.09 -1.14 -0.17 0.00 1.10 0.00 0.00 33.01 32.70 2bub s GLN 553 CO 0.31 -0.44 0.32 1.63 -0.55 0.00 0.00 175.29 176.56 2bub n LYS 554 N 5.22 1.03 -3.61 1.67 4.76 -1.26 -4.84 118.16 121.13 2bub n LYS 554 Ca -0.06 -0.08 -0.39 0.00 -2.87 0.00 0.00 58.31 54.91 2bub n LYS 554 Cb 0.49 -1.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.66 3.37 0.24 7.82 0.00 -1.26 -4.84 121.76 124.43 2bub s ALA 555 Ca -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 2bub s ALA 555 Cb 0.08 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2bub s ALA 555 CO 0.50 -0.92 0.39 -0.40 0.00 0.00 0.00 175.76 175.33 2bub n ASP 556 N 5.03 -1.12 -0.11 0.00 5.68 -1.26 -4.50 116.55 120.27 2bub n ASP 556 Ca -0.13 -2.17 0.14 0.00 -0.50 0.00 0.00 54.79 52.13 2bub n ASP 556 Cb 0.49 1.98 0.60 0.00 -1.14 0.00 0.00 41.12 43.05 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 -0.37 0.00 -1.40 2.12 -2.24 -1.24 -4.95 114.28 106.20 2bub n THR 557 Ca -0.02 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2bub n THR 557 Cb 0.39 -0.09 0.10 0.00 -2.10 0.00 0.00 70.33 68.63 2bub n THR 557 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bub s VAL 558 N -2.50 3.01 -0.24 2.28 0.11 -1.26 -2.12 120.40 119.68 2bub s VAL 558 Ca 0.28 0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.64 2bub s VAL 558 Cb 0.20 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2bub s VAL 558 CO 0.48 -0.43 -0.07 0.12 -3.33 0.00 0.00 175.10 171.87 2bub s PHE 559 N -3.05 3.03 -0.02 1.54 5.36 -0.67 -4.84 117.98 119.33 2bub s PHE 559 Ca 0.62 -1.50 0.04 0.00 -0.96 0.00 0.00 56.93 55.12 2bub s PHE 559 Cb -0.16 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2bub s PHE 559 CO 0.55 -0.72 -0.11 1.03 -1.46 0.00 0.00 175.22 174.51 2bub s ARG 560 N 1.34 2.48 -0.63 10.12 0.52 -1.26 -4.92 118.95 126.60 2bub s ARG 560 Ca 0.01 -0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 2bub s ARG 560 Cb -0.16 -2.42 0.16 0.00 0.52 0.00 0.00 34.95 33.05 2bub s ARG 560 CO -0.05 0.61 0.55 -0.51 0.02 0.00 0.00 175.30 175.92 2bub s LEU 561 N -1.07 6.17 0.35 2.53 1.43 -1.26 -4.83 118.68 122.00 2bub s LEU 561 Ca 0.14 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 2bub s LEU 561 Cb -0.11 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 2bub s LEU 561 CO 0.04 -0.67 0.44 0.54 0.23 0.00 0.00 176.35 176.93 2bub s ASN 562 N 2.57 1.19 0.15 2.29 6.03 -1.26 -5.02 114.94 120.90 2bub s ASN 562 Ca 0.10 -1.59 -0.24 0.00 -1.03 0.00 0.00 52.86 50.10 2bub s ASN 562 Cb -0.21 0.65 0.02 0.00 -3.03 0.00 0.00 41.25 38.68 2bub s ASN 562 CO -0.03 -1.27 1.61 -0.25 -2.03 0.00 0.00 177.10 175.13 2bub h TRP 563 N 2.09 -0.87 -0.98 1.54 7.01 -1.98 0.22 115.95 122.99 2bub h TRP 563 Ca -0.27 0.05 0.15 0.00 2.11 0.00 0.00 58.89 60.93 2bub h TRP 563 Cb 1.24 0.42 -0.16 0.00 -2.10 0.00 0.00 29.16 28.56 2bub h TRP 563 CO 1.65 -0.38 -0.39 0.00 -2.79 0.00 0.00 178.44 176.53 2bub h ALA 564 N 0.62 0.14 -0.83 2.65 0.00 -1.98 0.15 119.26 120.02 2bub h ALA 564 Ca 0.14 0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.41 2bub h ALA 564 Cb 0.53 1.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 2bub h ALA 564 CO -0.45 -0.63 -0.44 2.41 0.00 0.00 0.00 179.25 180.15 2bub n THR 565 N -5.47 -0.52 0.19 0.00 -1.04 0.76 -1.13 114.28 107.07 2bub n THR 565 Ca 0.10 1.99 0.04 0.00 -2.04 0.00 0.00 64.05 64.14 2bub n THR 565 Cb 0.40 -2.51 0.38 0.00 -1.82 0.00 0.00 70.33 66.77 2bub n THR 565 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2bub h TYR 566 N 0.00 0.00 0.00 -1.42 3.20 -0.43 -2.27 116.97 116.05 2bub h TYR 566 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2bub h TYR 566 Cb 0.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2bub h TYR 566 CO -0.82 0.36 0.00 1.28 -1.64 0.00 0.00 178.16 177.35 2bub n LEU 567 N -3.94 0.00 0.00 2.82 4.77 -0.28 -2.29 117.00 118.08 2bub n LEU 567 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2bub n LEU 567 Cb 0.42 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2bub n LEU 567 CO 0.38 -0.02 -0.45 0.00 -1.33 0.00 0.00 177.39 175.97 2bub n ALA 568 N -1.20 1.98 -0.86 -1.18 0.00 -1.13 -1.02 120.51 117.09 2bub n ALA 568 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2bub n ALA 568 Cb 0.18 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2bub n ALA 568 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bub n SER 569 N -2.27 0.00 0.21 0.00 2.88 -0.86 -2.33 113.62 111.26 2bub n SER 569 Ca 0.00 0.57 -0.11 0.00 -1.33 0.00 0.00 58.87 58.00 2bub n SER 569 Cb 0.45 -0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 2bub n SER 569 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2bub h THR 570 N 0.00 0.00 0.00 2.46 2.02 -1.58 -3.31 112.91 112.50 2bub h THR 570 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2bub h THR 570 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2bub h THR 570 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 2bub n GLU 571 N -4.14 0.08 -3.60 6.66 -0.58 -1.22 -4.89 120.64 112.95 2bub n GLU 571 Ca -0.08 0.17 -0.28 0.00 -0.42 0.00 0.00 57.16 56.56 2bub n GLU 571 Cb 0.28 -1.62 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.77 -5.31 -4.10 1.62 3.02 -0.98 -4.88 115.26 102.86 2bub n ASN 572 Ca 0.05 -0.95 -0.30 0.00 -0.03 0.00 0.00 54.58 53.35 2bub n ASN 572 Cb 0.30 -3.78 -0.17 0.00 -0.61 0.00 0.00 39.78 35.52 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 -3.47 1.75 -0.13 2.41 1.01 -0.19 -4.47 121.20 118.11 2bub s ILE 573 Ca 0.44 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 2bub s ILE 573 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2bub s ILE 573 CO 0.83 0.49 1.45 -0.63 0.00 0.00 0.00 174.94 177.08 2bub s ILE 574 N 1.00 3.95 -0.64 2.92 1.01 -0.85 -4.09 121.20 124.50 2bub s ILE 574 Ca -0.05 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.64 2bub s ILE 574 Cb -0.15 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 38.72 2bub s ILE 574 CO -0.03 -0.14 0.53 -0.69 0.00 0.00 0.00 174.94 174.61 2bub s VAL 575 N 3.91 4.67 0.79 2.92 1.01 -1.18 0.43 120.40 132.94 2bub s VAL 575 Ca 0.64 -2.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 2bub s VAL 575 Cb -0.26 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.20 2bub s VAL 575 CO 0.22 -0.90 1.16 0.00 0.00 0.00 0.00 175.10 175.58 2bub s ALA 576 N 0.61 2.71 -0.16 5.51 0.00 0.12 -2.92 121.76 127.62 2bub s ALA 576 Ca 0.13 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 2bub s ALA 576 Cb -0.20 -2.97 0.05 0.00 0.00 0.00 0.00 23.12 20.01 2bub s ALA 576 CO -0.04 -1.55 0.55 -1.12 0.00 0.00 0.00 175.76 173.59 2bub s SER 577 N -4.53 -0.55 -0.07 0.00 0.01 -0.54 -0.75 113.70 107.27 2bub s SER 577 Ca 0.61 0.94 -0.03 0.00 1.31 0.00 0.00 55.95 58.78 2bub s SER 577 Cb -0.11 0.95 0.04 0.00 0.21 0.00 0.00 66.02 67.11 2bub s SER 577 CO 0.50 -0.28 0.15 0.12 0.41 0.00 0.00 173.24 174.13 2bub s PHE 578 N -0.11 -0.16 -0.39 2.43 5.36 -1.26 -1.16 117.98 122.68 2bub s PHE 578 Ca -0.03 0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 56.27 2bub s PHE 578 Cb -0.03 -0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2bub s PHE 578 CO 0.03 -0.17 0.32 -0.51 -1.46 0.00 0.00 175.22 173.42 2bub s ASP 579 N 1.20 6.12 0.00 6.13 1.01 -0.71 -4.89 116.67 125.53 2bub s ASP 579 Ca -0.09 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.50 2bub s ASP 579 Cb -0.12 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.64 2bub s ASP 579 CO -0.06 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.52 2bub n GLY 580 N 5.12 3.10 3.59 0.21 0.00 -1.26 -4.14 105.19 111.81 2bub n GLY 580 Ca -0.11 -2.07 -0.47 0.00 0.00 0.00 0.00 46.02 43.38 2bub n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bub n ARG 581 N -0.24 1.35 0.00 1.61 1.74 -1.26 -1.20 116.66 118.66 2bub n ARG 581 Ca 0.00 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2bub n ARG 581 Cb 0.00 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 2bub n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bub n GLY 582 N 1.73 3.06 3.36 -0.13 0.00 -0.39 -4.30 105.19 108.52 2bub n GLY 582 Ca 0.12 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2bub n GLY 582 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bub n SER 583 N 1.36 -2.33 -4.83 1.61 3.41 -0.34 -1.39 113.62 111.11 2bub n SER 583 Ca 0.00 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.04 2bub n SER 583 Cb 0.00 -1.04 0.08 0.00 -0.26 0.00 0.00 64.21 62.99 2bub n SER 583 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bub s GLY 584 N -1.15 1.78 -0.48 5.00 0.00 -1.13 -3.66 107.32 107.68 2bub s GLY 584 Ca 0.62 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2bub s GLY 584 CO 0.61 -1.27 0.00 -1.72 0.00 0.00 0.00 173.10 170.71 2bub n TYR 585 N -2.56 0.00 -2.00 1.90 4.01 -1.26 -4.82 117.16 112.42 2bub n TYR 585 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.88 2bub n TYR 585 Cb 0.61 -1.39 0.12 0.00 -0.31 0.00 0.00 39.34 38.36 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 -1.82 1.46 -0.24 -0.72 6.02 -1.26 -4.33 117.38 116.49 2bub n GLN 586 Ca -0.05 -3.09 0.02 0.00 -0.01 0.00 0.00 57.00 53.87 2bub n GLN 586 Cb 0.28 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.58 -2.82 0.31 1.08 0.00 -1.26 -4.39 105.19 97.54 2bub n GLY 587 Ca 0.18 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.16 0.00 -0.59 1.61 3.32 0.46 -1.52 116.42 119.54 2bub h ASP 588 Ca -0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2bub h ASP 588 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2bub h ASP 588 CO 0.01 0.00 0.12 0.50 -1.72 0.00 0.00 179.24 178.14 2bub h LYS 589 N 0.00 1.00 0.01 3.56 3.64 -1.83 -0.60 116.57 122.35 2bub h LYS 589 Ca 0.05 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2bub h LYS 589 Cb 0.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2bub h LYS 589 CO -0.00 0.91 -0.08 0.82 -2.27 0.00 0.00 179.45 178.83 2bub h ILE 590 N 0.95 1.75 -0.38 2.00 2.04 -1.69 -3.34 117.51 118.83 2bub h ILE 590 Ca 0.19 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 2bub h ILE 590 Cb 0.39 3.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 2bub h ILE 590 CO 0.01 0.60 0.13 -0.03 0.00 0.00 0.00 178.15 178.86 2bub h MET 591 N -0.97 0.59 0.00 2.37 4.05 -1.21 -0.88 114.93 118.87 2bub h MET 591 Ca -0.02 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2bub h MET 591 Cb 1.04 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2bub h MET 591 CO -0.00 0.59 0.00 0.72 0.23 0.00 0.00 176.91 178.45 2bub n HIS 592 N -4.62 0.00 0.85 1.39 8.25 -0.24 -3.79 115.22 117.06 2bub n HIS 592 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2bub n HIS 592 Cb 0.17 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.48 2bub n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bub n ALA 593 N -0.59 1.96 -0.47 -1.41 0.00 -0.91 -2.45 120.51 116.65 2bub n ALA 593 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2bub n ALA 593 Cb 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2bub n ALA 593 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2bub n ILE 594 N -0.75 0.00 -1.18 0.00 0.13 -1.26 -4.88 119.36 111.42 2bub n ILE 594 Ca 0.05 -0.12 -0.46 0.00 -1.10 0.00 0.00 62.75 61.12 2bub n ILE 594 Cb 0.02 1.47 -0.07 0.00 -0.84 0.00 0.00 39.64 40.23 2bub n ILE 594 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2bub n ASN 595 N -0.09 0.42 -4.32 9.51 5.15 -1.03 -0.69 115.26 124.22 2bub n ASN 595 Ca 0.00 0.85 -0.38 0.00 -0.60 0.00 0.00 54.58 54.46 2bub n ASN 595 Cb 0.12 -0.65 -0.05 0.00 -0.53 0.00 0.00 39.78 38.67 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 1.97 -2.31 -2.56 1.20 1.74 0.19 -4.82 116.66 112.07 2bub n ARG 596 Ca 0.18 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.52 2bub n ARG 596 Cb 0.01 -4.89 0.11 0.00 -1.02 0.00 0.00 32.46 26.66 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 -4.29 1.13 -1.50 5.56 1.74 0.13 -4.98 116.66 114.46 2bub n ARG 597 Ca 0.06 -1.21 -0.39 0.00 -0.77 0.00 0.00 57.85 55.54 2bub n ARG 597 Cb 0.50 0.25 0.03 0.00 -1.02 0.00 0.00 32.46 32.22 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 -1.12 1.21 -0.76 0.55 4.77 -1.20 -3.63 117.00 116.82 2bub n LEU 598 Ca -0.13 0.79 -0.01 0.00 -0.03 0.00 0.00 56.01 56.64 2bub n LEU 598 Cb 0.82 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2bub n LEU 598 CO -0.12 -2.74 0.01 0.61 -1.33 0.00 0.00 177.39 173.81 2bub n GLY 599 N 1.67 0.74 0.00 -0.72 0.00 -1.26 -4.87 105.19 100.75 2bub n GLY 599 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2bub n GLY 599 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bub n THR 600 N -2.02 0.00 -0.07 2.61 5.66 -1.24 -4.83 114.28 114.39 2bub n THR 600 Ca -0.00 0.00 0.24 0.00 -3.05 0.00 0.00 64.05 61.24 2bub n THR 600 Cb 0.50 0.00 0.71 0.00 -1.55 0.00 0.00 70.33 69.99 2bub n THR 600 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 2bub h PHE 601 N 0.00 0.00 0.00 1.09 0.04 -1.90 0.36 116.94 116.53 2bub h PHE 601 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2bub h PHE 601 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2bub h PHE 601 CO 0.00 0.00 -0.70 1.05 -0.60 0.00 0.00 178.31 178.06 2bub h GLU 602 N 0.00 0.00 0.15 1.51 9.09 -1.92 -2.64 114.58 120.77 2bub h GLU 602 Ca 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.73 2bub h GLU 602 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 2bub h GLU 602 CO -0.00 0.17 -0.07 0.28 0.05 0.00 0.00 179.01 179.43 2bub h VAL 603 N 0.00 0.22 -1.13 -1.06 2.07 -0.70 -3.09 116.25 112.56 2bub h VAL 603 Ca -0.03 -0.98 0.31 0.00 0.82 0.00 0.00 66.70 66.82 2bub h VAL 603 Cb 1.20 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 2bub h VAL 603 CO 0.02 0.07 0.75 -0.33 0.02 0.00 0.00 177.57 178.10 2bub h GLU 604 N -1.03 0.23 0.03 1.57 5.08 -1.07 -0.89 114.58 118.50 2bub h GLU 604 Ca -0.02 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 2bub h GLU 604 Cb 0.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2bub h GLU 604 CO 0.03 0.15 -1.00 -0.44 -1.00 0.00 0.00 179.01 176.75 2bub h ASP 605 N 0.24 0.47 -0.62 1.42 3.32 -1.56 -0.51 116.42 119.19 2bub h ASP 605 Ca 0.62 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2bub h ASP 605 Cb 1.89 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 41.27 2bub h ASP 605 CO -0.23 1.23 0.24 1.56 -1.72 0.00 0.00 179.24 180.31 2bub h GLN 606 N 0.18 0.94 -0.44 3.56 1.08 -1.12 -1.21 115.11 118.10 2bub h GLN 606 Ca -0.09 -0.18 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 2bub h GLN 606 Cb 1.66 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 28.90 2bub h GLN 606 CO 0.17 0.81 0.17 0.82 -0.95 0.00 0.00 178.83 179.84 2bub h ILE 607 N 0.88 0.89 0.00 2.54 2.04 -0.91 -1.99 117.51 120.95 2bub h ILE 607 Ca 0.21 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.76 2bub h ILE 607 Cb 0.23 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2bub h ILE 607 CO -0.01 0.06 -0.93 -0.08 0.00 0.00 0.00 178.15 177.19 2bub h GLU 608 N 0.35 0.00 0.56 2.37 4.57 -0.87 -2.21 114.58 119.34 2bub h GLU 608 Ca 0.20 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2bub h GLU 608 Cb 0.17 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2bub h GLU 608 CO -0.19 0.85 -0.27 0.00 -1.18 0.00 0.00 179.01 178.22 2bub h ALA 609 N 1.12 -0.75 -0.93 2.92 0.00 -1.12 -1.41 119.26 119.09 2bub h ALA 609 Ca -0.02 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.95 2bub h ALA 609 Cb 1.69 0.29 -0.16 0.00 0.00 0.00 0.00 17.79 19.61 2bub h ALA 609 CO 0.11 -0.76 0.16 0.00 0.00 0.00 0.00 179.25 178.76 2bub h ALA 610 N -0.87 1.28 0.44 0.00 0.00 -1.38 0.74 119.26 119.48 2bub h ALA 610 Ca -0.08 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2bub h ALA 610 Cb 0.64 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2bub h ALA 610 CO 0.13 -0.56 -0.41 -0.09 0.00 0.00 0.00 179.25 178.31 2bub h ARG 611 N 0.09 -0.83 -0.31 0.00 2.43 -1.20 0.74 114.38 115.30 2bub h ARG 611 Ca 0.59 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.91 2bub h ARG 611 Cb 1.25 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2bub h ARG 611 CO -0.78 -0.56 0.26 1.96 -1.51 0.00 0.00 179.97 179.34 2bub h GLN 612 N -0.86 0.00 -0.17 0.20 4.20 0.37 -1.36 115.11 117.49 2bub h GLN 612 Ca -0.04 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2bub h GLN 612 Cb 0.76 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 2bub h GLN 612 CO -0.05 0.00 -0.55 0.74 -0.67 0.00 0.00 178.83 178.30 2bub h PHE 613 N 0.00 0.87 0.47 2.96 0.04 0.31 -3.27 116.94 118.33 2bub h PHE 613 Ca 0.15 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 2bub h PHE 613 Cb 0.67 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2bub h PHE 613 CO 0.00 1.15 -0.23 0.66 -0.60 0.00 0.00 178.31 179.30 2bub h SER 614 N 0.35 -0.53 -1.51 2.17 4.64 0.14 -3.11 113.55 115.69 2bub h SER 614 Ca -0.02 -0.07 0.45 0.00 -0.47 0.00 0.00 61.79 61.67 2bub h SER 614 Cb 1.18 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 2bub h SER 614 CO 0.12 -0.22 1.08 0.29 -0.87 0.00 0.00 176.83 177.22 2bub n LYS 615 N -5.27 -0.00 -0.97 4.77 4.76 -0.65 -4.49 118.16 116.30 2bub n LYS 615 Ca -0.11 0.87 -0.30 0.00 -2.87 0.00 0.00 58.31 55.90 2bub n LYS 615 Cb 0.30 -1.97 0.16 0.00 -1.84 0.00 0.00 35.03 31.67 2bub n LYS 615 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2bub s MET 616 N -4.51 1.02 -0.03 1.97 -1.94 -1.18 -4.94 119.30 109.70 2bub s MET 616 Ca -0.04 1.09 0.16 0.00 -1.71 0.00 0.00 55.69 55.18 2bub s MET 616 Cb 0.22 -1.76 0.50 0.00 2.01 0.00 0.00 34.83 35.80 2bub s MET 616 CO 0.70 -2.48 1.41 0.41 -0.01 0.00 0.00 175.02 175.05 2bub n GLY 617 N -0.47 1.73 0.00 -0.03 0.00 -1.26 -3.42 105.19 101.74 2bub n GLY 617 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2bub n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bub n PHE 618 N 1.01 0.00 -3.98 1.61 1.16 -1.26 -4.50 117.46 111.51 2bub n PHE 618 Ca 0.19 -0.14 -0.35 0.00 -1.87 0.00 0.00 57.45 55.28 2bub n PHE 618 Cb 0.54 -0.01 -0.13 0.00 -1.61 0.00 0.00 39.48 38.27 2bub n PHE 618 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2bub s VAL 619 N -0.28 4.01 -0.92 1.97 -7.23 -1.22 -0.20 120.40 116.54 2bub s VAL 619 Ca 0.00 -0.29 -0.24 0.00 -1.81 0.00 0.00 61.98 59.64 2bub s VAL 619 Cb 0.00 -2.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 2bub s VAL 619 CO 0.00 0.41 1.70 -0.62 -0.31 0.00 0.00 175.10 176.27 2bub s ASP 620 N 1.17 5.77 0.00 4.85 3.68 -0.41 -4.79 116.67 126.94 2bub s ASP 620 Ca 0.03 -0.91 0.00 0.00 2.13 0.00 0.00 52.55 53.80 2bub s ASP 620 Cb -0.14 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.76 2bub s ASP 620 CO 0.02 -2.16 0.69 -0.46 0.13 0.00 0.00 175.17 173.39 2bub n ASN 621 N 11.52 0.00 0.00 -0.34 6.94 -1.26 -0.11 115.26 132.01 2bub n ASN 621 Ca 0.34 0.23 0.11 0.00 -0.02 0.00 0.00 54.58 55.24 2bub n ASN 621 Cb 0.49 -0.23 0.05 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.19 0.03 -3.55 -3.83 5.02 -1.26 -4.63 118.16 108.76 2bub n LYS 622 Ca 0.00 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2bub n LYS 622 Cb 0.14 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.53 2bub n LYS 622 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2bub s ARG 623 N -3.02 1.08 -0.32 1.97 0.52 0.85 -4.83 118.95 115.19 2bub s ARG 623 Ca 0.09 -2.01 -0.00 0.00 -0.52 0.00 0.00 55.73 53.28 2bub s ARG 623 Cb 0.16 -1.83 0.10 0.00 0.52 0.00 0.00 34.95 33.90 2bub s ARG 623 CO 0.79 -1.27 0.10 0.42 0.02 0.00 0.00 175.30 175.36 2bub s ILE 624 N 0.23 0.97 0.78 1.52 1.01 -1.26 -1.75 121.20 122.70 2bub s ILE 624 Ca 0.24 -1.51 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 2bub s ILE 624 Cb -0.11 -1.74 0.15 0.00 0.01 0.00 0.00 42.46 40.78 2bub s ILE 624 CO -0.09 -0.69 1.07 0.00 0.00 0.00 0.00 174.94 175.23 2bub s ALA 625 N 1.52 3.49 -0.13 9.38 0.00 -0.60 -1.41 121.76 134.01 2bub s ALA 625 Ca 0.10 -1.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.06 2bub s ALA 625 Cb -0.18 -2.08 0.06 0.00 0.00 0.00 0.00 23.12 20.93 2bub s ALA 625 CO -0.23 -1.70 0.63 -1.50 0.00 0.00 0.00 175.76 172.96 2bub s ILE 626 N -3.29 0.01 -0.20 0.00 2.07 -0.89 -2.65 121.20 116.25 2bub s ILE 626 Ca 0.69 -0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 59.63 2bub s ILE 626 Cb -0.04 -0.92 0.07 0.00 0.13 0.00 0.00 42.46 41.69 2bub s ILE 626 CO 0.46 -0.02 0.67 -1.66 -1.91 0.00 0.00 174.94 172.48 2bub s TRP 627 N -0.51 -0.71 0.17 3.50 1.48 -0.93 -1.01 118.94 120.93 2bub s TRP 627 Ca -0.06 1.60 -0.13 0.00 -1.06 0.00 0.00 56.10 56.44 2bub s TRP 627 Cb -0.03 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.58 2bub s TRP 627 CO 0.05 -0.42 0.39 0.20 -4.06 0.00 0.00 176.95 173.11 2bub s GLY 628 N -0.09 0.16 0.00 3.67 0.00 -1.16 -2.25 107.32 107.66 2bub s GLY 628 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2bub s GLY 628 CO 0.03 -0.55 0.00 1.87 0.00 0.00 0.00 173.10 174.46 2bub n TRP 629 N -0.26 -2.58 0.00 1.90 -0.00 -1.26 -0.81 117.44 114.42 2bub n TRP 629 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 2bub n TRP 629 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.94 2bub n TRP 629 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2bub n SER 630 N -2.64 0.00 -0.31 5.87 7.64 -1.20 0.33 113.62 123.33 2bub n SER 630 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 2bub n SER 630 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 2bub n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2bub h TYR 631 N 0.00 0.83 -0.76 1.43 5.03 -1.87 0.59 116.97 122.21 2bub h TYR 631 Ca 0.00 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.51 2bub h TYR 631 Cb 0.00 -0.25 -0.12 0.00 1.55 0.00 0.00 36.73 37.91 2bub h TYR 631 CO 0.00 0.20 0.15 0.78 -1.32 0.00 0.00 178.16 177.97 2bub h GLY 632 N 0.61 1.04 0.52 1.82 0.00 0.55 -0.37 103.07 107.24 2bub h GLY 632 Ca 0.53 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.86 2bub h GLY 632 CO -0.28 -0.25 -0.33 -1.33 0.00 0.00 0.00 176.54 174.36 2bub h GLY 633 N 0.22 -0.68 0.98 4.60 0.00 0.71 0.42 103.07 109.32 2bub h GLY 633 Ca 0.44 0.38 0.00 0.00 0.00 0.00 0.00 47.33 48.15 2bub h GLY 633 CO -0.57 -0.26 0.07 -1.82 0.00 0.00 0.00 176.54 173.97 2bub h TYR 634 N -0.61 0.14 -0.23 5.60 3.20 -1.35 0.96 116.97 124.69 2bub h TYR 634 Ca 0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2bub h TYR 634 Cb 0.60 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2bub h TYR 634 CO -0.25 0.08 0.14 0.28 -1.64 0.00 0.00 178.16 176.77 2bub h VAL 635 N 0.15 1.08 -0.14 1.81 2.07 -0.92 0.77 116.25 121.07 2bub h VAL 635 Ca 0.05 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2bub h VAL 635 Cb -0.01 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2bub h VAL 635 CO -0.02 0.08 -0.33 0.74 0.02 0.00 0.00 177.57 178.06 2bub h THR 636 N 0.29 0.27 0.43 2.57 2.02 0.58 -0.62 112.91 118.45 2bub h THR 636 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2bub h THR 636 Cb 0.01 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2bub h THR 636 CO -0.02 0.00 -0.37 0.28 0.37 0.00 0.00 175.52 175.78 2bub h SER 637 N -0.40 -1.01 -0.66 4.18 0.02 0.16 0.15 113.55 115.99 2bub h SER 637 Ca 0.10 0.07 0.27 0.00 -0.84 0.00 0.00 61.79 61.39 2bub h SER 637 Cb 0.55 0.32 -0.12 0.00 0.14 0.00 0.00 62.40 63.30 2bub h SER 637 CO -0.37 -0.51 0.34 0.23 -1.14 0.00 0.00 176.83 175.37 2bub n MET 638 N -4.69 -0.04 0.02 3.45 2.81 0.26 -0.58 117.12 118.35 2bub n MET 638 Ca -0.09 0.92 -0.19 0.00 -1.81 0.00 0.00 57.70 56.53 2bub n MET 638 Cb 0.35 -1.64 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 2bub n MET 638 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2bub h VAL 639 N 0.00 1.56 -0.57 2.03 2.07 0.82 -3.01 116.25 119.15 2bub h VAL 639 Ca 0.55 -2.45 0.10 0.00 0.82 0.00 0.00 66.70 65.72 2bub h VAL 639 Cb 1.45 3.18 -0.03 0.00 -1.52 0.00 0.00 31.29 34.37 2bub h VAL 639 CO -0.52 0.69 0.38 -0.07 0.02 0.00 0.00 177.57 178.07 2bub h LEU 640 N -0.47 0.33 -2.53 2.57 3.38 0.11 -1.61 115.31 117.09 2bub h LEU 640 Ca -0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2bub h LEU 640 Cb 1.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2bub h LEU 640 CO 0.12 0.20 0.02 0.61 0.09 0.00 0.00 178.44 179.49 2bub n GLY 641 N -1.53 2.43 0.01 0.83 0.00 -0.43 -4.19 105.19 102.31 2bub n GLY 641 Ca 0.09 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.66 2bub n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bub n SER 642 N 0.31 0.69 0.00 1.61 3.41 -0.61 -4.71 113.62 114.33 2bub n SER 642 Ca 0.17 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2bub n SER 642 Cb 0.83 1.71 0.00 0.00 -0.26 0.00 0.00 64.21 66.49 2bub n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bub n GLY 643 N 1.42 0.50 0.20 5.00 0.00 -1.26 -4.86 105.19 106.20 2bub n GLY 643 Ca -0.02 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2bub n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bub h SER 644 N 0.00 0.00 -7.05 1.61 4.64 -1.90 -3.45 113.55 107.39 2bub h SER 644 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2bub h SER 644 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 2bub h SER 644 CO 0.00 0.00 -0.96 0.61 -0.87 0.00 0.00 176.83 175.61 2bub n GLY 645 N -1.24 -0.16 0.00 -0.77 0.00 -1.26 -4.83 105.19 96.92 2bub n GLY 645 Ca -0.02 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2bub n GLY 645 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bub n VAL 646 N -4.52 0.00 -4.82 1.61 0.31 -1.26 -4.96 118.33 104.70 2bub n VAL 646 Ca -0.28 -0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 63.51 2bub n VAL 646 Cb 0.67 0.66 -0.14 0.00 -0.91 0.00 0.00 33.84 34.12 2bub n VAL 646 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2bub s PHE 647 N -1.85 2.78 -0.47 3.52 0.40 -1.26 -4.74 117.98 116.35 2bub s PHE 647 Ca -0.00 -0.49 0.24 0.00 -0.60 0.00 0.00 56.93 56.07 2bub s PHE 647 Cb 0.02 -1.78 0.34 0.00 0.51 0.00 0.00 43.02 42.12 2bub s PHE 647 CO 0.13 -0.09 1.48 -0.22 0.70 0.00 0.00 175.22 177.22 2bub h LYS 648 N 6.27 0.00 -2.35 0.44 1.63 -1.56 -3.45 116.57 117.56 2bub h LYS 648 Ca -0.32 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.66 2bub h LYS 648 Cb 1.19 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.76 2bub h LYS 648 CO 0.54 0.00 0.53 0.00 -3.45 0.00 0.00 179.45 177.07 2bub s GLY 650 N -3.07 -0.51 0.04 0.00 0.00 -0.17 -2.08 107.32 101.53 2bub s GLY 650 Ca 0.15 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.53 2bub s GLY 650 CO 0.03 0.20 -0.16 -0.42 0.00 0.00 0.00 173.10 172.75 2bub s ILE 651 N -3.52 2.98 -0.20 0.90 1.01 -0.18 -0.94 121.20 121.25 2bub s ILE 651 Ca 0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 2bub s ILE 651 Cb -0.01 -2.27 0.07 0.00 0.01 0.00 0.00 42.46 40.26 2bub s ILE 651 CO -0.09 0.34 0.09 0.00 0.00 0.00 0.00 174.94 175.27 2bub s ALA 652 N -0.95 0.62 -0.38 9.38 0.00 -0.49 -2.97 121.76 126.97 2bub s ALA 652 Ca 0.15 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 2bub s ALA 652 Cb -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2bub s ALA 652 CO 0.06 -1.29 0.28 0.08 0.00 0.00 0.00 175.76 174.89 2bub s VAL 653 N 2.05 5.26 -0.98 0.00 1.01 0.01 -2.71 120.40 125.05 2bub s VAL 653 Ca 0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2bub s VAL 653 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2bub s VAL 653 CO -0.15 -0.17 0.83 0.00 0.00 0.00 0.00 175.10 175.62 2bub n ALA 654 N 5.16 -1.32 -1.99 5.51 0.00 0.32 -3.22 120.51 124.97 2bub n ALA 654 Ca -0.12 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2bub n ALA 654 Cb 0.48 -3.00 -0.06 0.00 0.00 0.00 0.00 19.45 16.86 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 -5.46 4.17 0.34 0.00 0.04 -1.26 -4.14 135.00 128.69 2bub s PRO 655 Ca 0.19 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 2bub s PRO 655 Cb -0.09 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 2bub s PRO 655 CO 0.56 0.14 1.54 0.08 0.04 0.00 0.00 177.00 179.37 2bub s VAL 656 N -1.94 2.05 -0.01 -0.36 1.01 -1.26 -4.42 120.40 115.47 2bub s VAL 656 Ca 0.55 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2bub s VAL 656 Cb -0.12 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 2bub s VAL 656 CO 0.17 0.01 0.09 -1.54 0.00 0.00 0.00 175.10 173.83 2bub n SER 657 N 1.28 3.98 -3.64 3.32 3.41 -1.26 -3.96 113.62 116.75 2bub n SER 657 Ca 0.04 -0.01 -0.03 0.00 -0.26 0.00 0.00 58.87 58.61 2bub n SER 657 Cb 0.38 1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 65.47 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 -2.29 0.62 0.47 4.33 3.52 -1.26 -0.37 118.95 123.98 2bub s ARG 658 Ca -0.02 1.34 0.21 0.00 -0.13 0.00 0.00 55.73 57.14 2bub s ARG 658 Cb 0.03 0.56 1.19 0.00 -1.56 0.00 0.00 34.95 35.17 2bub s ARG 658 CO 0.18 -0.18 2.00 -1.49 -0.81 0.00 0.00 175.30 175.01 2bub h TRP 659 N 7.56 0.00 -0.66 5.12 4.06 -1.91 0.44 115.95 130.55 2bub h TRP 659 Ca -0.23 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.85 2bub h TRP 659 Cb 1.15 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.27 2bub h TRP 659 CO 0.12 0.18 0.45 0.93 -3.56 0.00 0.00 178.44 176.55 2bub h GLU 660 N 0.00 0.33 0.00 0.49 5.08 -1.93 -1.49 114.58 117.05 2bub h GLU 660 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bub h GLU 660 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2bub h GLU 660 CO 0.02 0.22 0.00 1.88 -1.00 0.00 0.00 179.01 180.13 2bub h TYR 661 N 0.34 0.00 -4.58 4.33 0.05 -1.30 -3.13 116.97 112.68 2bub h TYR 661 Ca 0.32 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.83 2bub h TYR 661 Cb 0.78 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.56 2bub h TYR 661 CO -0.00 0.00 0.07 0.98 -1.05 0.00 0.00 178.16 178.16 2bub n TYR 662 N -2.89 -3.12 -3.52 4.88 9.36 -0.56 -4.86 117.16 116.45 2bub n TYR 662 Ca 0.00 -1.03 -0.38 0.00 3.32 0.00 0.00 57.90 59.82 2bub n TYR 662 Cb 0.23 -0.43 -0.06 0.00 -0.63 0.00 0.00 39.34 38.45 2bub n TYR 662 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2bub s ASP 663 N -3.37 6.74 0.01 2.98 1.47 -1.26 -1.55 116.67 121.69 2bub s ASP 663 Ca 0.39 0.88 -0.03 0.00 1.18 0.00 0.00 52.55 54.97 2bub s ASP 663 Cb -0.02 -2.23 -0.01 0.00 -0.34 0.00 0.00 42.92 40.31 2bub s ASP 663 CO 0.26 0.29 1.05 0.77 0.68 0.00 0.00 175.17 178.22 2bub h SER 664 N 5.03 -0.19 -0.87 2.11 4.64 -1.66 -0.51 113.55 122.10 2bub h SER 664 Ca -0.50 0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.03 2bub h SER 664 Cb 1.21 0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 63.22 2bub h SER 664 CO 0.63 -0.03 -0.15 0.58 -0.87 0.00 0.00 176.83 176.99 2bub h VAL 665 N -0.02 0.14 0.05 0.95 2.07 -1.95 0.43 116.25 117.92 2bub h VAL 665 Ca 0.01 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2bub h VAL 665 Cb 0.05 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2bub h VAL 665 CO -0.07 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.72 2bub h TYR 666 N 0.02 -0.07 0.04 1.57 5.03 -1.75 -3.14 116.97 118.68 2bub h TYR 666 Ca 0.44 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.75 2bub h TYR 666 Cb 0.74 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.04 2bub h TYR 666 CO -0.62 0.55 -0.02 1.15 -1.32 0.00 0.00 178.16 177.90 2bub h THR 667 N -0.88 1.31 -1.00 1.81 2.02 -0.79 -3.22 112.91 112.17 2bub h THR 667 Ca -0.01 -1.25 0.27 0.00 0.77 0.00 0.00 66.41 66.19 2bub h THR 667 Cb 0.64 2.13 -0.13 0.00 -1.74 0.00 0.00 68.15 69.05 2bub h THR 667 CO 0.01 0.31 0.57 -0.33 0.37 0.00 0.00 175.52 176.45 2bub h GLU 668 N -0.62 0.47 -0.24 6.66 5.08 -0.29 0.28 114.58 125.93 2bub h GLU 668 Ca -0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2bub h GLU 668 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2bub h GLU 668 CO 0.01 0.31 0.32 -0.09 -1.00 0.00 0.00 179.01 178.56 2bub h ARG 669 N 0.48 0.00 0.00 2.33 2.43 -1.55 -1.87 114.38 116.20 2bub h ARG 669 Ca 0.67 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.76 2bub h ARG 669 Cb 1.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2bub h ARG 669 CO -0.52 0.00 -1.29 0.66 -1.51 0.00 0.00 179.97 177.30 2bub n TYR 670 N -3.57 0.00 0.83 2.20 4.01 0.72 -4.60 117.16 116.75 2bub n TYR 670 Ca 0.03 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.87 2bub n TYR 670 Cb 0.45 -0.21 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.38 0.13 0.00 -0.72 2.81 0.34 0.55 117.12 117.86 2bub n MET 671 Ca -0.08 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2bub n MET 671 Cb 0.62 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 1.46 0.34 3.32 3.03 0.00 -0.72 -4.64 105.19 107.98 2bub n GLY 672 Ca 0.03 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 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 2.37 -1.21 0.99 1.43 -1.26 -4.33 118.68 116.67 2bub s LEU 673 Ca 0.00 -0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 2bub s LEU 673 Cb 0.00 -0.91 0.08 0.00 0.03 0.00 0.00 46.19 45.40 2bub s LEU 673 CO 0.00 0.03 1.61 -2.16 0.23 0.00 0.00 176.35 176.06 2bub s PRO 674 N -2.34 3.89 0.02 1.29 0.04 -1.26 -1.76 135.00 134.88 2bub s PRO 674 Ca 0.12 -1.85 -0.14 0.00 0.04 0.00 0.00 61.00 59.16 2bub s PRO 674 Cb -0.08 -5.41 0.02 0.00 0.04 0.00 0.00 34.50 29.07 2bub s PRO 674 CO 0.06 -2.17 0.30 0.95 0.04 0.00 0.00 177.00 176.18 2bub s THR 675 N 4.01 0.07 0.26 1.26 -4.23 -1.26 -4.78 115.64 110.97 2bub s THR 675 Ca 0.50 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 2bub s THR 675 Cb 0.02 -0.83 0.29 0.00 1.34 0.00 0.00 72.50 73.32 2bub s THR 675 CO 0.02 -0.34 1.64 -0.65 -0.54 0.00 0.00 174.62 174.75 2bub h PRO 676 N 3.44 0.12 0.00 3.99 0.11 -1.96 -0.30 132.00 137.41 2bub h PRO 676 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bub h PRO 676 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bub h PRO 676 CO 0.44 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 2bub n GLU 677 N -5.32 0.05 0.00 1.05 4.71 -1.26 -4.68 120.64 115.19 2bub n GLU 677 Ca 0.16 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 2bub n GLU 677 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 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 -1.38 0.00 -1.40 1.62 -0.08 -0.14 -5.05 116.55 110.12 2bub n ASP 678 Ca 0.02 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.36 2bub n ASP 678 Cb 0.06 0.00 0.32 0.00 2.34 0.00 0.00 41.12 43.83 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 0.00 4.60 -0.31 1.67 4.05 -0.72 -4.51 115.26 120.05 2bub n ASN 679 Ca 0.00 -3.06 0.12 0.00 0.45 0.00 0.00 54.58 52.10 2bub n ASN 679 Cb 0.00 -0.63 0.29 0.00 1.23 0.00 0.00 39.78 40.68 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 2.65 0.39 -0.65 1.20 6.46 -1.53 -2.22 115.31 121.62 2bub h LEU 680 Ca 0.04 0.14 0.14 0.00 -0.12 0.00 0.00 57.88 58.08 2bub h LEU 680 Cb 1.76 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 41.69 2bub h LEU 680 CO 0.39 0.05 0.05 0.44 -0.62 0.00 0.00 178.44 178.76 2bub h ASP 681 N 0.46 -0.18 0.61 1.25 3.45 -1.83 -1.60 116.42 118.57 2bub h ASP 681 Ca 0.54 0.15 0.00 0.00 0.43 0.00 0.00 57.03 58.15 2bub h ASP 681 Cb 0.98 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2bub h ASP 681 CO -0.49 -0.09 -0.89 1.57 -1.57 0.00 0.00 179.24 177.77 2bub n HIS 682 N -5.24 0.40 0.46 4.55 -0.00 -0.88 -2.87 115.22 111.64 2bub n HIS 682 Ca 0.10 0.12 -0.18 0.00 0.46 0.00 0.00 57.72 58.22 2bub n HIS 682 Cb 0.38 -0.54 -0.08 0.00 -0.12 0.00 0.00 29.99 29.62 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 0.00 -1.08 -0.44 1.57 -1.99 -1.08 -1.33 116.97 112.61 2bub h TYR 683 Ca 0.00 -0.03 0.13 0.00 2.00 0.00 0.00 58.73 60.83 2bub h TYR 683 Cb 0.75 0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 2bub h TYR 683 CO 0.00 -0.67 0.68 -0.09 -0.00 0.00 0.00 178.16 178.07 2bub h ARG 684 N -1.24 0.00 -0.01 4.88 2.43 -1.40 -2.15 114.38 116.89 2bub h ARG 684 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2bub h ARG 684 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2bub h ARG 684 CO 0.20 0.00 -0.02 -1.71 -1.51 0.00 0.00 179.97 176.92 2bub n ASN 685 N -3.30 1.88 -0.22 -3.80 5.15 -0.99 -4.40 115.26 109.59 2bub n ASN 685 Ca 0.09 -1.44 0.03 0.00 -0.60 0.00 0.00 54.58 52.65 2bub n ASN 685 Cb 0.84 0.05 0.06 0.00 -0.53 0.00 0.00 39.78 40.20 2bub n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2bub n SER 686 N 0.55 2.35 -4.77 1.20 3.41 -0.54 -5.01 113.62 110.82 2bub n SER 686 Ca 0.06 -2.11 -0.36 0.00 -0.26 0.00 0.00 58.87 56.20 2bub n SER 686 Cb 0.28 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.19 3.13 0.09 6.66 -4.23 -1.25 -4.89 115.64 113.96 2bub s THR 687 Ca 0.10 0.77 -0.26 0.00 -1.18 0.00 0.00 61.69 61.12 2bub s THR 687 Cb 0.07 -3.35 -0.14 0.00 1.34 0.00 0.00 72.50 70.42 2bub s THR 687 CO 0.05 -0.09 1.69 0.58 -0.54 0.00 0.00 174.62 176.31 2bub h VAL 688 N 1.51 0.70 -0.95 2.29 2.07 -1.05 -3.14 116.25 117.68 2bub h VAL 688 Ca -0.50 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.30 2bub h VAL 688 Cb 1.26 0.70 -0.17 0.00 -1.52 0.00 0.00 31.29 31.55 2bub h VAL 688 CO 0.58 0.00 0.17 0.24 0.02 0.00 0.00 177.57 178.58 2bub h MET 689 N -0.33 0.07 -1.14 1.57 2.86 -1.91 0.58 114.93 116.62 2bub h MET 689 Ca -0.01 -0.00 0.38 0.00 -2.06 0.00 0.00 59.70 58.01 2bub h MET 689 Cb 0.29 -0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.80 2bub h MET 689 CO -0.00 0.04 0.69 1.03 1.06 0.00 0.00 176.91 179.73 2bub h SER 690 N 0.07 0.36 -0.92 1.22 0.87 -1.92 -2.19 113.55 111.04 2bub h SER 690 Ca 0.62 0.17 -0.48 0.00 -1.23 0.00 0.00 61.79 60.87 2bub h SER 690 Cb 1.35 0.14 -0.28 0.00 -0.44 0.00 0.00 62.40 63.17 2bub h SER 690 CO -0.81 -0.19 0.61 0.54 -0.53 0.00 0.00 176.83 176.45 2bub n ARG 691 N -4.90 2.16 -0.06 2.24 1.74 0.20 -4.71 116.66 113.33 2bub n ARG 691 Ca 0.34 -2.76 -0.10 0.00 -0.77 0.00 0.00 57.85 54.56 2bub n ARG 691 Cb 1.21 -2.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.11 0.29 -0.52 7.54 0.00 -1.53 -3.16 119.26 123.00 2bub h ALA 692 Ca 0.59 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.49 2bub h ALA 692 Cb 2.66 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 20.26 2bub h ALA 692 CO 1.03 -0.13 -0.28 0.93 0.00 0.00 0.00 179.25 180.81 2bub h GLU 693 N 0.21 -0.15 0.00 0.00 4.39 -1.87 -1.30 114.58 115.86 2bub h GLU 693 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2bub h GLU 693 Cb 0.16 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2bub h GLU 693 CO -0.01 -0.10 0.01 0.09 -1.16 0.00 0.00 179.01 177.84 2bub n ASN 694 N -5.42 0.00 0.19 1.42 3.02 -1.19 -1.47 115.26 111.80 2bub n ASN 694 Ca 0.04 0.34 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 2bub n ASN 694 Cb 0.34 -0.34 0.52 0.00 -0.61 0.00 0.00 39.78 39.69 2bub n ASN 694 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2bub h PHE 695 N 0.00 0.00 -0.49 3.10 -1.00 -1.37 -2.95 116.94 114.23 2bub h PHE 695 Ca 0.00 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 2bub h PHE 695 Cb 0.01 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 2bub h PHE 695 CO 0.00 0.00 0.33 0.87 -1.61 0.00 0.00 178.31 177.90 2bub h LYS 696 N 0.00 0.33 0.00 1.51 1.57 -1.46 -2.23 116.57 116.29 2bub h LYS 696 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2bub h LYS 696 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2bub h LYS 696 CO 0.00 0.22 0.00 1.04 -0.57 0.00 0.00 179.45 180.14 2bub n GLN 697 N -4.47 0.17 -4.47 3.15 6.02 -1.11 -4.85 117.38 111.82 2bub n GLN 697 Ca 0.07 0.22 -0.23 0.00 -0.01 0.00 0.00 57.00 57.05 2bub n GLN 697 Cb 0.31 -1.73 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 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 -3.12 2.28 -0.09 5.09 -7.23 -0.84 -4.93 120.40 111.56 2bub s VAL 698 Ca 0.10 -2.33 -0.08 0.00 -1.81 0.00 0.00 61.98 57.86 2bub s VAL 698 Cb 0.13 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2bub s VAL 698 CO 0.51 -0.38 0.19 -1.61 -0.31 0.00 0.00 175.10 173.49 2bub s GLU 699 N -3.56 3.52 -0.13 4.82 2.02 -0.85 -4.98 118.70 119.53 2bub s GLU 699 Ca 0.29 -0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.17 2bub s GLU 699 Cb -0.02 -3.19 0.06 0.00 0.10 0.00 0.00 34.13 31.07 2bub s GLU 699 CO 0.14 0.76 0.31 -0.47 0.02 0.00 0.00 175.26 176.02 2bub s TYR 700 N -1.06 -0.46 -0.14 1.61 5.04 -1.26 -0.99 117.35 120.09 2bub s TYR 700 Ca 0.17 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 2bub s TYR 700 Cb -0.13 0.12 -0.00 0.00 0.35 0.00 0.00 41.96 42.30 2bub s TYR 700 CO 0.06 -0.30 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.63 2bub s LEU 701 N 1.59 2.41 -0.18 6.97 2.96 -0.11 -2.49 118.68 129.83 2bub s LEU 701 Ca -0.07 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2bub s LEU 701 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2bub s LEU 701 CO -0.10 0.11 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.64 2bub s LEU 702 N 0.67 2.25 -0.05 -0.68 2.96 -0.65 -1.40 118.68 121.78 2bub s LEU 702 Ca -0.08 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 2bub s LEU 702 Cb -0.16 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2bub s LEU 702 CO 0.02 0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 2bub s ILE 703 N 1.21 0.91 -0.21 6.68 1.01 -1.10 -1.32 121.20 128.39 2bub s ILE 703 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2bub s ILE 703 Cb -0.14 -0.85 0.08 0.00 0.01 0.00 0.00 42.46 41.57 2bub s ILE 703 CO -0.09 0.30 0.49 -2.28 0.00 0.00 0.00 174.94 173.35 2bub s HIS 704 N 0.58 -0.82 0.46 3.97 2.46 -0.83 0.12 115.29 121.23 2bub s HIS 704 Ca -0.11 1.62 -0.21 0.00 0.47 0.00 0.00 55.06 56.84 2bub s HIS 704 Cb -0.14 0.40 -0.09 0.00 -0.13 0.00 0.00 32.58 32.62 2bub s HIS 704 CO 0.02 -0.45 1.02 0.20 -2.47 0.00 0.00 174.74 173.05 2bub s GLY 705 N 2.00 2.50 0.42 1.59 0.00 -1.26 -2.74 107.32 109.82 2bub s GLY 705 Ca -0.07 0.56 0.22 0.00 0.00 0.00 0.00 44.72 45.44 2bub s GLY 705 CO -0.15 0.88 1.59 -0.91 0.00 0.00 0.00 173.10 174.52 2bub h THR 706 N 1.70 0.12 -0.88 0.90 1.35 -0.54 -3.27 112.91 112.29 2bub h THR 706 Ca -0.49 -1.16 -0.57 0.00 -0.55 0.00 0.00 66.41 63.64 2bub h THR 706 Cb 1.21 2.05 -0.29 0.00 -1.73 0.00 0.00 68.15 69.39 2bub h THR 706 CO 0.60 0.07 0.45 0.00 -0.25 0.00 0.00 175.52 176.38 2bub n ALA 707 N -2.12 5.74 -2.60 6.62 0.00 0.99 -4.76 120.51 124.39 2bub n ALA 707 Ca 0.04 -3.37 -0.43 0.00 0.00 0.00 0.00 53.44 49.68 2bub n ALA 707 Cb 0.56 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 2bub n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bub s ASP 708 N -2.09 6.65 0.31 0.00 -1.08 -1.17 -4.21 116.67 115.07 2bub s ASP 708 Ca 0.59 0.49 0.24 0.00 -0.52 0.00 0.00 52.55 53.34 2bub s ASP 708 Cb 0.48 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.80 2bub s ASP 708 CO 0.02 -1.17 1.52 -2.24 0.52 0.00 0.00 175.17 173.82 2bub h ASP 709 N 9.05 0.00 0.00 -0.34 2.03 -1.93 -3.36 116.42 121.87 2bub h ASP 709 Ca -0.23 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2bub h ASP 709 Cb 1.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2bub h ASP 709 CO 1.10 0.01 -0.05 -3.20 -1.03 0.00 0.00 179.24 176.07 2bub n ASN 710 N -2.72 0.10 -4.46 4.15 4.05 -1.26 -4.73 115.26 110.39 2bub n ASN 710 Ca 0.04 0.05 -0.43 0.00 0.45 0.00 0.00 54.58 54.68 2bub n ASN 710 Cb 0.50 -0.51 -0.07 0.00 1.23 0.00 0.00 39.78 40.93 2bub n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2bub s VAL 711 N -1.10 4.93 0.25 3.44 1.01 -1.26 -4.88 120.40 122.79 2bub s VAL 711 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2bub s VAL 711 Cb 0.00 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 2bub s VAL 711 CO 0.02 -0.67 1.11 -1.00 0.00 0.00 0.00 175.10 174.56 2bub s HIS 712 N 2.50 3.57 0.55 5.22 3.76 -1.26 -4.64 115.29 125.00 2bub s HIS 712 Ca 0.15 1.65 0.44 0.00 -0.15 0.00 0.00 55.06 57.15 2bub s HIS 712 Cb -0.18 -3.29 1.65 0.00 1.11 0.00 0.00 32.58 31.87 2bub s HIS 712 CO 0.13 -0.62 1.68 0.35 -0.85 0.00 0.00 174.74 175.44 2bub h PHE 713 N 4.24 0.00 -0.81 1.40 3.57 -1.82 0.19 116.94 123.72 2bub h PHE 713 Ca -0.46 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.20 2bub h PHE 713 Cb 1.21 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.80 2bub h PHE 713 CO 0.60 0.00 -0.20 0.37 -2.23 0.00 0.00 178.31 176.85 2bub h GLN 714 N 0.00 -0.00 -0.20 1.11 4.15 -1.96 -0.61 115.11 117.60 2bub h GLN 714 Ca 0.76 0.00 0.03 0.00 0.77 0.00 0.00 58.65 60.21 2bub h GLN 714 Cb 3.06 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 30.69 2bub h GLN 714 CO -0.01 -0.00 -0.48 1.96 -1.93 0.00 0.00 178.83 178.37 2bub h GLN 715 N -0.00 -0.43 0.16 1.69 1.08 -0.95 -1.10 115.11 115.55 2bub h GLN 715 Ca 0.39 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.61 2bub h GLN 715 Cb 0.59 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2bub h GLN 715 CO -0.83 -0.29 -0.09 0.77 -0.95 0.00 0.00 178.83 177.44 2bub h SER 716 N -0.45 -0.22 -0.84 1.46 0.02 -1.60 -2.94 113.55 108.97 2bub h SER 716 Ca 0.04 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.18 2bub h SER 716 Cb 0.56 0.06 -0.16 0.00 0.14 0.00 0.00 62.40 63.01 2bub h SER 716 CO -0.43 -0.15 -0.18 0.00 -1.14 0.00 0.00 176.83 174.93 2bub h ALA 717 N 0.60 0.60 -0.37 3.77 0.00 -0.87 0.55 119.26 123.54 2bub h ALA 717 Ca -0.02 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bub h ALA 717 Cb 0.20 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2bub h ALA 717 CO 0.02 -0.41 0.21 1.96 0.00 0.00 0.00 179.25 181.03 2bub h GLN 718 N 0.01 0.49 -0.54 0.00 1.08 -1.03 -1.75 115.11 113.37 2bub h GLN 718 Ca 0.41 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 2bub h GLN 718 Cb 0.65 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2bub h GLN 718 CO -0.85 0.36 0.12 0.82 -0.95 0.00 0.00 178.83 178.33 2bub h ILE 719 N 0.51 1.25 0.00 2.54 2.04 0.20 -2.47 117.51 121.58 2bub h ILE 719 Ca 0.13 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.97 2bub h ILE 719 Cb -0.00 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2bub h ILE 719 CO -0.02 0.32 -0.65 0.77 0.00 0.00 0.00 178.15 178.57 2bub h SER 720 N 0.76 0.00 1.23 1.72 4.64 -0.61 -1.90 113.55 119.39 2bub h SER 720 Ca 0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2bub h SER 720 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2bub h SER 720 CO 0.00 0.65 -0.28 0.50 -0.87 0.00 0.00 176.83 176.83 2bub h LYS 721 N 0.00 0.00 -0.10 4.77 3.64 -1.30 0.40 116.57 123.98 2bub h LYS 721 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2bub h LYS 721 Cb 1.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2bub h LYS 721 CO 0.08 0.28 -0.60 0.00 -2.27 0.00 0.00 179.45 176.95 2bub h ALA 722 N 1.72 0.20 -0.56 5.00 0.00 -1.18 -2.43 119.26 122.02 2bub h ALA 722 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2bub h ALA 722 Cb 0.97 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2bub h ALA 722 CO 0.04 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.66 2bub h LEU 723 N 0.20 0.95 -0.22 0.00 3.38 -1.03 -2.91 115.31 115.68 2bub h LEU 723 Ca -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2bub h LEU 723 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2bub h LEU 723 CO 0.12 1.01 0.04 0.58 0.09 0.00 0.00 178.44 180.29 2bub h VAL 724 N 0.89 1.22 -0.94 1.22 2.07 -1.00 0.24 116.25 119.95 2bub h VAL 724 Ca 0.16 -0.73 0.21 0.00 0.82 0.00 0.00 66.70 67.16 2bub h VAL 724 Cb 0.54 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2bub h VAL 724 CO 0.03 0.23 0.61 0.44 0.02 0.00 0.00 177.57 178.90 2bub h ASP 725 N 0.17 0.51 -1.14 0.57 3.32 -1.24 0.36 116.42 118.96 2bub h ASP 725 Ca 0.07 0.06 -0.61 0.00 0.02 0.00 0.00 57.03 56.57 2bub h ASP 725 Cb 0.31 -0.03 -0.39 0.00 0.22 0.00 0.00 39.33 39.44 2bub h ASP 725 CO 0.00 0.19 -0.31 0.55 -1.72 0.00 0.00 179.24 177.95 2bub n VAL 726 N -4.58 2.78 -4.15 -1.35 3.14 -1.16 -4.97 118.33 108.05 2bub n VAL 726 Ca 0.21 -4.22 -0.30 0.00 -2.96 0.00 0.00 64.34 57.07 2bub n VAL 726 Cb 0.68 -1.19 -0.05 0.00 -1.06 0.00 0.00 33.84 32.23 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 -0.66 -0.25 3.53 7.55 0.00 0.13 -4.92 105.19 110.57 2bub n GLY 727 Ca 0.47 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.88 4.98 0.29 1.61 1.01 0.83 -5.02 120.40 120.21 2bub s VAL 728 Ca 0.22 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2bub s VAL 728 Cb -0.12 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2bub s VAL 728 CO 0.94 -0.37 0.99 -0.62 0.00 0.00 0.00 175.10 176.03 2bub s ASP 729 N 1.84 7.39 0.22 3.32 2.15 -1.26 -4.40 116.67 125.93 2bub s ASP 729 Ca 0.18 2.00 -0.22 0.00 0.43 0.00 0.00 52.55 54.94 2bub s ASP 729 Cb -0.15 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2bub s ASP 729 CO 0.15 -0.03 0.73 0.72 -0.17 0.00 0.00 175.17 176.56 2bub s PHE 730 N -1.34 -0.27 0.03 -5.34 -0.71 -1.26 -4.92 117.98 104.17 2bub s PHE 730 Ca 0.46 -0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.25 2bub s PHE 730 Cb -0.25 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 2bub s PHE 730 CO 0.31 -1.07 0.12 -0.65 -1.34 0.00 0.00 175.22 172.60 2bub s GLN 731 N -3.77 3.15 0.20 1.99 -0.21 -1.04 -5.06 119.66 114.92 2bub s GLN 731 Ca 0.09 -0.50 -0.08 0.00 0.02 0.00 0.00 55.36 54.89 2bub s GLN 731 Cb -0.04 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 2bub s GLN 731 CO 0.01 0.63 0.29 0.00 -2.12 0.00 0.00 175.29 174.10 2bub s ALA 732 N -1.32 0.27 -0.28 6.09 0.00 -1.26 -1.64 121.76 123.61 2bub s ALA 732 Ca 0.27 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2bub s ALA 732 Cb -0.12 1.06 0.12 0.00 0.00 0.00 0.00 23.12 24.17 2bub s ALA 732 CO 0.19 -0.69 0.91 -1.64 0.00 0.00 0.00 175.76 174.54 2bub s MET 733 N -4.04 0.52 0.08 0.00 -1.94 -0.43 -4.90 119.30 108.58 2bub s MET 733 Ca 0.25 0.78 -0.04 0.00 -1.71 0.00 0.00 55.69 54.97 2bub s MET 733 Cb 0.03 0.16 -0.05 0.00 2.01 0.00 0.00 34.83 36.99 2bub s MET 733 CO 0.06 -0.09 0.29 1.67 -0.01 0.00 0.00 175.02 176.94 2bub s TRP 734 N 1.01 3.52 -0.27 -0.03 -2.14 -1.26 -1.96 118.94 117.81 2bub s TRP 734 Ca -0.05 0.45 -0.05 0.00 2.66 0.00 0.00 56.10 59.12 2bub s TRP 734 Cb -0.04 -1.92 0.01 0.00 -3.10 0.00 0.00 33.47 28.42 2bub s TRP 734 CO -0.12 0.54 0.02 0.71 -2.66 0.00 0.00 176.95 175.43 2bub s TYR 735 N -1.51 3.09 0.04 1.66 2.02 -1.11 -4.93 117.35 116.61 2bub s TYR 735 Ca 0.35 -1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 55.63 2bub s TYR 735 Cb -0.13 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.18 2bub s TYR 735 CO 0.23 -0.61 1.86 0.99 -1.57 0.00 0.00 175.55 176.46 2bub s THR 736 N 1.45 3.04 -0.12 -0.71 2.01 -1.26 -0.05 115.64 120.00 2bub s THR 736 Ca 0.03 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2bub s THR 736 Cb -0.16 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2bub s THR 736 CO -0.01 -0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.38 2bub n ASP 737 N 6.98 -4.13 -4.98 3.53 9.92 -1.26 -4.86 116.55 121.75 2bub n ASP 737 Ca 0.19 0.03 -0.20 0.00 -0.53 0.00 0.00 54.79 54.27 2bub n ASP 737 Cb 0.41 -1.73 0.03 0.00 -0.64 0.00 0.00 41.12 39.19 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 -1.05 2.59 0.00 -1.24 0.41 -1.12 -4.64 118.70 113.65 2bub s GLU 738 Ca 0.00 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 2bub s GLU 738 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2bub s GLU 738 CO 0.00 -0.64 0.00 -0.40 -0.49 0.00 0.00 175.26 173.73 2bub n ASP 739 N -2.26 0.87 0.10 -0.19 5.68 -1.26 -0.01 116.55 119.48 2bub n ASP 739 Ca 0.08 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.38 2bub n ASP 739 Cb 0.60 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.93 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 0.29 0.00 2.11 -0.00 -1.92 -2.17 115.15 113.46 2bub h HIS 740 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2bub h HIS 740 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 2bub h HIS 740 CO 0.00 0.43 -0.17 0.78 -0.00 0.00 0.00 177.93 178.97 2bub h GLY 741 N 0.83 0.00 -7.00 5.26 0.00 -1.98 -3.48 103.07 96.69 2bub h GLY 741 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.85 2bub h GLY 741 CO 0.03 0.00 -0.87 1.39 0.00 0.00 0.00 176.54 177.09 2bub n ILE 742 N -2.39 -1.97 -0.32 2.60 5.41 -0.82 -4.87 119.36 117.00 2bub n ILE 742 Ca 0.05 -0.49 0.03 0.00 1.00 0.00 0.00 62.75 63.33 2bub n ILE 742 Cb 0.45 -1.70 0.04 0.00 -0.71 0.00 0.00 39.64 37.73 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 -4.45 2.08 -1.57 -1.39 0.00 -1.26 -3.15 120.51 110.78 2bub n ALA 743 Ca -0.13 -1.48 -0.48 0.00 0.00 0.00 0.00 53.44 51.34 2bub n ALA 743 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2bub n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bub n SER 744 N -0.76 1.12 -0.22 0.00 3.41 -1.26 -4.73 113.62 111.18 2bub n SER 744 Ca 0.05 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2bub n SER 744 Cb 0.37 -1.21 0.08 0.00 -0.26 0.00 0.00 64.21 63.19 2bub n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2bub h SER 745 N 2.87 -0.53 0.56 4.04 0.87 -1.99 0.19 113.55 119.57 2bub h SER 745 Ca -0.41 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2bub h SER 745 Cb 1.35 0.38 0.01 0.00 -0.44 0.00 0.00 62.40 63.69 2bub h SER 745 CO 0.67 -0.20 -0.27 0.71 -0.53 0.00 0.00 176.83 177.21 2bub h THR 746 N 0.03 0.00 -0.62 2.23 1.35 -1.97 -2.54 112.91 111.39 2bub h THR 746 Ca 0.32 -0.12 0.08 0.00 -0.55 0.00 0.00 66.41 66.15 2bub h THR 746 Cb 0.51 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.84 2bub h THR 746 CO -0.65 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 174.35 2bub n ALA 747 N -2.47 -0.17 -0.67 6.62 0.00 -1.05 -0.38 120.51 122.39 2bub n ALA 747 Ca -0.09 0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2bub n ALA 747 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2bub n ALA 747 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2bub n HIS 748 N -4.87 0.00 -0.38 0.00 -0.00 0.65 -2.03 115.22 108.59 2bub n HIS 748 Ca 0.05 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.22 2bub n HIS 748 Cb 0.22 -0.17 0.04 0.00 -0.12 0.00 0.00 29.99 29.97 2bub n HIS 748 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2bub n GLN 749 N -1.50 -0.23 0.03 1.57 6.02 -0.09 -2.54 117.38 120.64 2bub n GLN 749 Ca 0.00 1.53 -0.08 0.00 -0.01 0.00 0.00 57.00 58.44 2bub n GLN 749 Cb 0.00 -2.26 -0.05 0.00 1.02 0.00 0.00 30.24 28.95 2bub n GLN 749 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2bub h HIS 750 N 0.00 -0.76 -0.54 1.08 2.76 -0.50 0.11 115.15 117.29 2bub h HIS 750 Ca 0.34 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.64 2bub h HIS 750 Cb 0.59 0.33 -0.08 0.00 1.55 0.00 0.00 27.41 29.80 2bub h HIS 750 CO -0.87 -0.28 0.04 0.97 -1.30 0.00 0.00 177.93 176.49 2bub h ILE 751 N -0.34 0.61 0.00 6.26 2.10 -1.13 1.07 117.51 126.08 2bub h ILE 751 Ca 0.00 -0.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.88 2bub h ILE 751 Cb 0.36 0.43 -0.00 0.00 -1.09 0.00 0.00 36.82 36.52 2bub h ILE 751 CO -0.17 0.03 -0.03 1.88 -1.08 0.00 0.00 178.15 178.79 2bub h TYR 752 N 0.16 0.00 0.05 2.19 0.05 -1.39 0.59 116.97 118.62 2bub h TYR 752 Ca 0.28 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.82 2bub h TYR 752 Cb 0.42 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 2bub h TYR 752 CO -0.30 0.03 -1.04 1.15 -1.05 0.00 0.00 178.16 176.95 2bub h THR 753 N 0.00 1.48 -0.21 -2.88 2.02 0.35 -2.94 112.91 110.73 2bub h THR 753 Ca -0.00 -2.78 -0.10 0.00 0.77 0.00 0.00 66.41 64.30 2bub h THR 753 Cb 0.15 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2bub h THR 753 CO 0.00 0.82 -0.24 -0.74 0.37 0.00 0.00 175.52 175.73 2bub h HIS 754 N 0.13 0.65 -0.08 3.16 -0.00 0.17 -3.00 115.15 116.18 2bub h HIS 754 Ca -0.09 -0.20 -0.11 0.00 -0.00 0.00 0.00 60.37 59.97 2bub h HIS 754 Cb 1.72 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.98 2bub h HIS 754 CO 0.05 0.90 -0.47 0.52 -0.00 0.00 0.00 177.93 178.93 2bub h MET 755 N 0.22 0.19 -0.55 5.26 2.07 0.02 -2.16 114.93 119.98 2bub h MET 755 Ca 0.03 -0.10 -0.06 0.00 -2.07 0.00 0.00 59.70 57.50 2bub h MET 755 Cb 0.80 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.51 2bub h MET 755 CO 0.06 0.63 0.12 0.77 1.07 0.00 0.00 176.91 179.55 2bub h SER 756 N 0.16 0.85 -0.26 1.22 0.02 -1.52 -1.99 113.55 112.03 2bub h SER 756 Ca 0.01 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2bub h SER 756 Cb 0.89 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2bub h SER 756 CO 0.07 0.88 0.16 0.45 -1.14 0.00 0.00 176.83 177.25 2bub h HIS 757 N 0.79 0.31 -0.62 3.45 3.86 -1.26 -0.98 115.15 120.70 2bub h HIS 757 Ca 0.17 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2bub h HIS 757 Cb 0.37 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2bub h HIS 757 CO 0.03 0.19 0.18 0.35 0.86 0.00 0.00 177.93 179.53 2bub h PHE 758 N 0.33 0.99 -0.03 2.45 3.57 -1.25 -1.41 116.94 121.58 2bub h PHE 758 Ca 0.10 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2bub h PHE 758 Cb -0.03 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.43 2bub h PHE 758 CO -0.07 0.80 -0.41 0.82 -2.23 0.00 0.00 178.31 177.23 2bub h ILE 759 N 0.92 1.45 -0.13 1.41 5.03 -1.26 -2.22 117.51 122.71 2bub h ILE 759 Ca 0.20 -1.90 0.02 0.00 -0.12 0.00 0.00 64.86 63.06 2bub h ILE 759 Cb 0.29 2.50 -0.03 0.00 -3.03 0.00 0.00 36.82 36.56 2bub h ILE 759 CO -0.01 0.54 -0.19 0.11 -0.68 0.00 0.00 178.15 177.93 2bub h LYS 760 N -0.20 -0.14 -0.79 2.37 1.57 -1.07 -1.78 116.57 116.54 2bub h LYS 760 Ca -0.04 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 2bub h LYS 760 Cb 1.10 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 2bub h LYS 760 CO 0.08 -0.09 -0.10 -0.56 -0.57 0.00 0.00 179.45 178.21 2bub h GLN 761 N -0.14 0.04 -0.99 3.15 -0.00 -1.33 0.90 115.11 116.73 2bub h GLN 761 Ca 0.02 -0.00 0.27 0.00 -0.00 0.00 0.00 58.65 58.94 2bub h GLN 761 Cb 0.20 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.48 27.62 2bub h GLN 761 CO -0.19 0.02 0.69 0.00 -0.00 0.00 0.00 178.83 179.35 2bub n PHE 763 N -4.38 1.73 -4.03 0.00 3.72 0.31 -4.91 117.46 109.90 2bub n PHE 763 Ca 0.22 -0.68 -0.32 0.00 -0.05 0.00 0.00 57.45 56.62 2bub n PHE 763 Cb 0.95 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.80 -3.76 -4.33 4.37 7.64 -0.45 -4.95 113.62 112.94 2bub n SER 764 Ca 0.26 -0.88 -0.34 0.00 1.01 0.00 0.00 58.87 58.92 2bub n SER 764 Cb 1.03 -3.41 -0.14 0.00 -1.01 0.00 0.00 64.21 60.68 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 -7.23 2.83 0.00 -3.43 1.43 -1.05 -5.04 118.68 106.19 2bub s LEU 765 Ca 0.62 -0.37 0.28 0.00 -1.03 0.00 0.00 54.13 53.62 2bub s LEU 765 Cb -0.32 -1.69 0.94 0.00 0.03 0.00 0.00 46.19 45.15 2bub s LEU 765 CO 0.87 0.05 1.69 -0.81 0.23 0.00 0.00 176.35 178.37