#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cbw s THR 28 N 0.00 5.43 -0.23 0.61 2.01 -1.26 -5.07 115.64 117.14 3cbw s THR 28 Ca 0.00 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 3cbw s THR 28 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 3cbw s THR 28 CO 0.00 0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.81 3cbw s VAL 29 N -0.31 4.30 0.04 3.82 1.01 -1.26 -5.10 120.40 122.90 3cbw s VAL 29 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3cbw s VAL 29 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3cbw s VAL 29 CO 0.02 0.38 -0.07 -0.44 0.00 0.00 0.00 175.10 174.99 3cbw s SER 30 N 1.28 4.62 0.65 3.32 0.01 -1.26 -3.36 113.70 118.96 3cbw s SER 30 Ca 0.05 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.92 3cbw s SER 30 Cb -0.15 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 3cbw s SER 30 CO 0.03 0.24 0.90 -2.65 0.41 0.00 0.00 173.24 172.17 3cbw n PRO 31 N 1.19 0.69 0.14 12.44 -0.02 -1.26 -4.90 135.00 143.28 3cbw n PRO 31 Ca -0.14 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 3cbw n PRO 31 Cb 0.52 -2.13 0.41 0.00 -0.02 0.00 0.00 33.50 32.28 3cbw n PRO 31 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3cbw h VAL 32 N 0.14 1.17 -2.93 -1.45 -1.51 -1.89 -3.40 116.25 106.39 3cbw h VAL 32 Ca -0.48 -0.79 -0.57 0.00 -1.23 0.00 0.00 66.70 63.64 3cbw h VAL 32 Cb 1.36 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 31.75 3cbw h VAL 32 CO 0.48 0.24 1.06 0.21 -1.23 0.00 0.00 177.57 178.34 3cbw s ASN 33 N -6.91 6.50 0.51 4.19 2.47 -1.26 -4.88 114.94 115.56 3cbw s ASN 33 Ca -0.05 1.44 0.34 0.00 0.42 0.00 0.00 52.86 55.01 3cbw s ASN 33 Cb 0.15 -2.54 1.62 0.00 -1.45 0.00 0.00 41.25 39.03 3cbw s ASN 33 CO 0.72 -1.19 2.02 1.55 -3.72 0.00 0.00 177.10 176.49 3cbw h PRO 34 N 10.13 0.00 -0.44 0.43 0.13 -1.99 -2.23 132.00 138.03 3cbw h PRO 34 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3cbw h PRO 34 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3cbw h PRO 34 CO 1.02 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.88 3cbw n ASN 35 N -2.83 4.92 -4.69 1.44 4.13 -1.26 -5.01 115.26 111.96 3cbw n ASN 35 Ca -0.01 -2.99 -0.42 0.00 1.68 0.00 0.00 54.58 52.84 3cbw n ASN 35 Cb 0.18 -0.63 -0.01 0.00 -1.54 0.00 0.00 39.78 37.79 3cbw n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cbw n ALA 36 N 0.11 1.23 -1.61 5.41 0.00 -0.84 -4.81 120.51 119.99 3cbw n ALA 36 Ca 0.25 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 3cbw n ALA 36 Cb 1.07 -2.24 0.07 0.00 0.00 0.00 0.00 19.45 18.35 3cbw n ALA 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cbw n GLN 37 N 0.52 0.91 -0.29 0.00 6.02 0.16 -4.75 117.38 119.96 3cbw n GLN 37 Ca 0.05 0.37 0.03 0.00 -0.01 0.00 0.00 57.00 57.44 3cbw n GLN 37 Cb 0.36 -2.41 0.17 0.00 1.02 0.00 0.00 30.24 29.38 3cbw n GLN 37 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3cbw h GLN 38 N 0.30 0.74 -0.77 -1.09 5.75 -1.92 -0.24 115.11 117.88 3cbw h GLN 38 Ca -0.50 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 57.91 3cbw h GLN 38 Cb 1.34 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 3cbw h GLN 38 CO 0.51 0.49 0.27 1.15 -2.65 0.00 0.00 178.83 178.60 3cbw h THR 39 N 0.76 1.26 -0.56 2.39 2.02 -1.91 -0.27 112.91 116.61 3cbw h THR 39 Ca 0.40 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 3cbw h THR 39 Cb 0.38 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3cbw h THR 39 CO -0.26 0.35 0.13 0.74 0.37 0.00 0.00 175.52 176.85 3cbw h THR 40 N 1.13 1.25 -0.45 3.16 2.02 -1.63 -0.51 112.91 117.87 3cbw h THR 40 Ca 0.25 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3cbw h THR 40 Cb 0.26 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3cbw h THR 40 CO -0.01 0.33 0.24 0.11 0.37 0.00 0.00 175.52 176.56 3cbw h LYS 41 N 0.80 0.47 -0.16 6.66 1.57 -0.56 -0.66 116.57 124.69 3cbw h LYS 41 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3cbw h LYS 41 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3cbw h LYS 41 CO 0.00 0.31 0.07 1.15 -0.57 0.00 0.00 179.45 180.42 3cbw h THR 42 N 0.49 1.13 -0.72 -0.16 2.02 -0.81 -1.95 112.91 112.92 3cbw h THR 42 Ca 0.19 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3cbw h THR 42 Cb 0.06 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3cbw h THR 42 CO -0.11 0.13 0.38 0.58 0.37 0.00 0.00 175.52 176.86 3cbw h VAL 43 N 0.12 1.23 -0.31 3.16 2.07 -0.98 -0.59 116.25 120.94 3cbw h VAL 43 Ca 0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3cbw h VAL 43 Cb 0.13 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3cbw h VAL 43 CO -0.01 0.26 0.13 -0.03 0.02 0.00 0.00 177.57 177.95 3cbw h MET 44 N 1.00 0.46 -0.69 1.57 -1.53 -0.94 0.13 114.93 114.93 3cbw h MET 44 Ca 0.25 -0.08 -0.03 0.00 -3.44 0.00 0.00 59.70 56.41 3cbw h MET 44 Cb 0.07 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.01 3cbw h MET 44 CO -0.04 0.46 0.32 -0.97 0.14 0.00 0.00 176.91 176.82 3cbw h ASN 45 N 0.36 0.90 -0.22 1.39 -1.24 -1.14 -1.65 115.58 113.99 3cbw h ASN 45 Ca 0.11 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 3cbw h ASN 45 Cb 0.16 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3cbw h ASN 45 CO -0.01 0.79 0.13 -0.25 -1.29 0.00 0.00 177.43 176.79 3cbw h TRP 46 N 0.96 0.29 -0.52 0.67 7.01 -0.80 -2.76 115.95 120.79 3cbw h TRP 46 Ca 0.23 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3cbw h TRP 46 Cb 0.13 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 3cbw h TRP 46 CO 0.01 0.23 0.29 -0.07 -2.79 0.00 0.00 178.44 176.11 3cbw h LEU 47 N 0.26 0.46 -1.75 0.65 3.38 -0.57 -2.63 115.31 115.10 3cbw h LEU 47 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3cbw h LEU 47 Cb 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3cbw h LEU 47 CO -0.01 0.32 -0.16 0.00 0.09 0.00 0.00 178.44 178.67 3cbw h ALA 48 N 1.25 1.51 -0.01 1.53 0.00 -1.14 -2.36 119.26 120.04 3cbw h ALA 48 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cbw h ALA 48 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3cbw h ALA 48 CO -0.12 0.21 -0.15 0.72 0.00 0.00 0.00 179.25 179.90 3cbw n HIS 49 N -4.03 0.00 -0.32 0.00 8.25 -1.00 -4.43 115.22 113.70 3cbw n HIS 49 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 3cbw n HIS 49 Cb 0.25 -0.08 0.20 0.00 1.12 0.00 0.00 29.99 31.48 3cbw n HIS 49 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3cbw h LEU 50 N 1.63 0.74 0.00 2.41 3.38 -1.33 -1.95 115.31 120.18 3cbw h LEU 50 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3cbw h LEU 50 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3cbw h LEU 50 CO 0.00 0.39 0.00 -2.65 0.09 0.00 0.00 178.44 176.27 3cbw n PRO 51 N -4.72 0.05 0.05 1.13 -0.02 -1.26 -1.45 135.00 128.77 3cbw n PRO 51 Ca 0.16 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 3cbw n PRO 51 Cb 0.33 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 32.83 3cbw n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cbw n ASN 52 N -1.41 0.35 -4.85 2.55 3.02 -0.73 -4.88 115.26 109.30 3cbw n ASN 52 Ca 0.03 0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 54.82 3cbw n ASN 52 Cb 0.09 -0.63 0.08 0.00 -0.61 0.00 0.00 39.78 38.71 3cbw n ASN 52 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3cbw s ARG 53 N -3.05 2.20 0.01 3.52 0.52 -0.53 -4.93 118.95 116.69 3cbw s ARG 53 Ca 0.12 0.41 0.22 0.00 -0.52 0.00 0.00 55.73 55.97 3cbw s ARG 53 Cb 0.16 -1.95 -0.20 0.00 0.52 0.00 0.00 34.95 33.48 3cbw s ARG 53 CO 0.55 -1.49 0.77 0.25 0.02 0.00 0.00 175.30 175.40 3cbw n THR 54 N -3.31 0.06 -3.96 0.02 -2.24 -1.26 -4.98 114.28 98.62 3cbw n THR 54 Ca 0.07 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 3cbw n THR 54 Cb 0.58 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3cbw n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3cbw s GLU 55 N -3.27 1.78 -1.24 -0.78 -1.05 -1.26 -4.87 118.70 108.01 3cbw s GLU 55 Ca 0.00 -1.34 -0.12 0.00 -0.15 0.00 0.00 54.97 53.36 3cbw s GLU 55 Cb 0.15 0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 34.35 3cbw s GLU 55 CO 0.87 -0.77 0.66 0.09 0.95 0.00 0.00 175.26 177.05 3cbw n ASN 56 N -0.78 -3.24 0.00 0.83 5.03 0.40 -4.90 115.26 112.60 3cbw n ASN 56 Ca -0.03 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.43 3cbw n ASN 56 Cb 0.61 -3.34 0.00 0.00 -1.02 0.00 0.00 39.78 36.03 3cbw n ASN 56 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 3cbw n ARG 57 N -4.27 -0.52 -3.78 3.52 1.85 0.80 -4.77 116.66 109.49 3cbw n ARG 57 Ca -0.19 -0.37 -0.27 0.00 -1.00 0.00 0.00 57.85 56.02 3cbw n ARG 57 Cb 0.63 -0.83 -0.17 0.00 -1.05 0.00 0.00 32.46 31.05 3cbw n ARG 57 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cbw s VAL 58 N -0.03 0.65 0.20 8.89 1.01 -0.31 -4.50 120.40 126.31 3cbw s VAL 58 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3cbw s VAL 58 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 3cbw s VAL 58 CO 0.00 -0.07 1.34 -0.76 0.00 0.00 0.00 175.10 175.61 3cbw s LEU 59 N 1.82 4.41 0.71 3.92 1.02 0.02 -0.24 118.68 130.33 3cbw s LEU 59 Ca 0.00 2.44 -0.11 0.00 0.02 0.00 0.00 54.13 56.48 3cbw s LEU 59 Cb -0.16 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.45 3cbw s LEU 59 CO -0.07 -0.56 1.06 -0.94 0.02 0.00 0.00 176.35 175.86 3cbw s SER 60 N 0.40 5.30 -0.04 2.29 1.04 -0.51 -1.24 113.70 120.95 3cbw s SER 60 Ca 0.58 1.56 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 3cbw s SER 60 Cb -0.37 -2.43 0.08 0.00 0.10 0.00 0.00 66.02 63.40 3cbw s SER 60 CO 0.38 -1.49 0.71 -0.83 0.98 0.00 0.00 173.24 173.00 3cbw s GLY 61 N -3.83 -0.55 -0.05 7.32 0.00 -0.40 -0.79 107.32 109.01 3cbw s GLY 61 Ca 0.58 1.29 -0.08 0.00 0.00 0.00 0.00 44.72 46.51 3cbw s GLY 61 CO 0.55 0.85 0.21 0.00 0.00 0.00 0.00 173.10 174.71 3cbw s ALA 62 N -1.54 -0.52 -0.05 3.20 0.00 -0.44 -1.40 121.76 121.01 3cbw s ALA 62 Ca -0.08 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3cbw s ALA 62 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3cbw s ALA 62 CO 0.06 -0.15 1.05 0.12 0.00 0.00 0.00 175.76 176.84 3cbw s PHE 63 N -0.41 3.49 -0.43 0.00 5.36 -0.25 -1.04 117.98 124.71 3cbw s PHE 63 Ca -0.05 1.53 0.23 0.00 -0.96 0.00 0.00 56.93 57.68 3cbw s PHE 63 Cb -0.03 -3.23 0.07 0.00 -0.34 0.00 0.00 43.02 39.48 3cbw s PHE 63 CO 0.01 -0.47 1.06 0.41 -1.46 0.00 0.00 175.22 174.77 3cbw n GLY 64 N 3.10 -1.34 0.00 13.12 0.00 0.84 -4.10 105.19 116.81 3cbw n GLY 64 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3cbw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbw n GLY 65 N 1.28 0.67 3.75 -0.02 0.00 -1.24 -2.34 105.19 107.29 3cbw n GLY 65 Ca 0.01 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 3cbw n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cbw s TYR 66 N -0.78 3.55 0.31 1.61 2.02 -1.26 -2.00 117.35 120.79 3cbw s TYR 66 Ca 0.00 0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 57.26 3cbw s TYR 66 Cb 0.00 -2.45 -0.13 0.00 -0.40 0.00 0.00 41.96 38.98 3cbw s TYR 66 CO 0.00 0.28 1.32 0.45 -1.57 0.00 0.00 175.55 176.02 3cbw n SER 67 N 3.28 2.70 -4.06 2.29 2.88 -0.21 -0.57 113.62 119.92 3cbw n SER 67 Ca -0.09 1.18 -0.40 0.00 -1.33 0.00 0.00 58.87 58.23 3cbw n SER 67 Cb 0.52 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3cbw n SER 67 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3cbw n HIS 68 N 0.86 -1.18 0.01 0.66 -0.00 -1.26 -4.68 115.22 109.64 3cbw n HIS 68 Ca 0.07 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3cbw n HIS 68 Cb 0.34 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 3cbw n HIS 68 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3cbw n ASP 69 N -1.86 -0.15 0.00 0.26 2.03 -0.93 -4.98 116.55 110.92 3cbw n ASP 69 Ca -0.13 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.22 3cbw n ASP 69 Cb 0.51 0.55 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 3cbw n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3cbw n THR 70 N -2.39 0.00 -1.79 5.18 -2.24 -0.31 -4.97 114.28 107.76 3cbw n THR 70 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3cbw n THR 70 Cb 0.00 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 3cbw n THR 70 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3cbw s PHE 71 N -0.67 2.81 0.24 4.78 5.36 0.27 -4.54 117.98 126.23 3cbw s PHE 71 Ca 0.00 0.69 -0.20 0.00 -0.96 0.00 0.00 56.93 56.46 3cbw s PHE 71 Cb 0.00 -4.06 0.07 0.00 -0.34 0.00 0.00 43.02 38.69 3cbw s PHE 71 CO 0.00 -3.69 0.98 -1.54 -1.46 0.00 0.00 175.22 169.51 3cbw s SER 72 N 0.66 0.01 0.00 6.13 1.04 -0.99 -4.77 113.70 115.79 3cbw s SER 72 Ca 0.66 -0.80 0.24 0.00 0.48 0.00 0.00 55.95 56.53 3cbw s SER 72 Cb -0.48 0.59 1.11 0.00 0.10 0.00 0.00 66.02 67.34 3cbw s SER 72 CO 0.43 -1.17 1.75 0.23 0.98 0.00 0.00 173.24 175.47 3cbw n MET 73 N -0.67 1.44 -0.25 4.02 2.81 -1.26 -4.32 117.12 118.89 3cbw n MET 73 Ca -0.04 -0.65 -0.03 0.00 -1.81 0.00 0.00 57.70 55.17 3cbw n MET 73 Cb 0.59 -1.42 0.08 0.00 -0.71 0.00 0.00 33.22 31.77 3cbw n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cbw h ALA 74 N 4.04 0.94 -0.16 3.04 0.00 -1.94 -0.43 119.26 124.74 3cbw h ALA 74 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cbw h ALA 74 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3cbw h ALA 74 CO 0.00 0.21 0.11 1.49 0.00 0.00 0.00 179.25 181.06 3cbw h GLU 75 N 0.86 0.22 -0.77 0.00 4.57 -1.88 0.98 114.58 118.56 3cbw h GLU 75 Ca 0.29 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 3cbw h GLU 75 Cb 0.04 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3cbw h GLU 75 CO -0.12 0.15 0.50 0.00 -1.18 0.00 0.00 179.01 178.37 3cbw h ALA 76 N 1.05 0.98 -0.35 2.92 0.00 -1.75 -2.18 119.26 119.92 3cbw h ALA 76 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3cbw h ALA 76 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3cbw h ALA 76 CO -0.01 0.36 -0.26 -0.44 0.00 0.00 0.00 179.25 178.89 3cbw h ASP 77 N 1.01 0.74 -0.64 0.00 3.32 -0.68 -1.67 116.42 118.50 3cbw h ASP 77 Ca 0.29 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3cbw h ASP 77 Cb -0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3cbw h ASP 77 CO -0.08 0.97 0.06 0.03 -1.72 0.00 0.00 179.24 178.50 3cbw h ARG 78 N 0.62 1.09 -0.60 3.56 3.08 -0.66 0.48 114.38 121.96 3cbw h ARG 78 Ca 0.08 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3cbw h ARG 78 Cb 0.77 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3cbw h ARG 78 CO 0.06 1.03 0.14 0.82 -1.07 0.00 0.00 179.97 180.95 3cbw h ILE 79 N 1.01 1.25 -0.64 2.04 2.04 -1.18 -0.91 117.51 121.12 3cbw h ILE 79 Ca 0.19 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 3cbw h ILE 79 Cb 0.49 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3cbw h ILE 79 CO 0.02 0.34 0.05 -0.09 0.00 0.00 0.00 178.15 178.48 3cbw h ARG 80 N 0.88 1.10 -0.86 2.37 2.43 -1.05 -0.26 114.38 118.98 3cbw h ARG 80 Ca 0.19 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3cbw h ARG 80 Cb 0.36 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3cbw h ARG 80 CO 0.00 1.03 0.49 1.03 -1.51 0.00 0.00 179.97 181.02 3cbw h SER 81 N 1.01 1.06 1.14 -3.80 0.87 -0.73 0.37 113.55 113.47 3cbw h SER 81 Ca 0.19 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 3cbw h SER 81 Cb 0.51 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3cbw h SER 81 CO 0.02 0.84 -0.79 0.00 -0.53 0.00 0.00 176.83 176.37 3cbw h ALA 82 N 1.34 0.52 0.00 6.23 0.00 -0.85 -3.41 119.26 123.09 3cbw h ALA 82 Ca 0.31 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3cbw h ALA 82 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3cbw h ALA 82 CO -0.05 0.99 -0.15 0.25 0.00 0.00 0.00 179.25 180.28 3cbw n THR 83 N -3.34 0.00 -0.78 0.00 -2.24 -0.13 -4.76 114.28 103.03 3cbw n THR 83 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3cbw n THR 83 Cb 0.84 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3cbw n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cbw n GLY 84 N 0.66 1.39 3.38 3.38 0.00 0.13 -4.97 105.19 109.17 3cbw n GLY 84 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3cbw n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cbw s GLN 85 N -0.02 1.43 0.12 1.61 -1.52 -1.26 -4.96 119.66 115.07 3cbw s GLN 85 Ca 0.00 -1.62 0.09 0.00 -1.95 0.00 0.00 55.36 51.88 3cbw s GLN 85 Cb 0.00 -1.37 -0.04 0.00 -0.22 0.00 0.00 33.01 31.38 3cbw s GLN 85 CO 0.00 0.25 -0.17 -1.12 -0.25 0.00 0.00 175.29 174.00 3cbw s SER 86 N -3.26 3.94 0.34 5.90 0.01 -1.26 -2.62 113.70 116.74 3cbw s SER 86 Ca 0.24 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 3cbw s SER 86 Cb -0.03 -0.57 -0.11 0.00 0.21 0.00 0.00 66.02 65.52 3cbw s SER 86 CO 0.09 0.17 1.47 -2.16 0.41 0.00 0.00 173.24 173.23 3cbw s PRO 87 N -2.21 4.17 0.23 12.44 0.04 -1.26 -1.30 135.00 147.11 3cbw s PRO 87 Ca 0.19 2.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.65 3cbw s PRO 87 Cb -0.10 -3.01 0.22 0.00 0.04 0.00 0.00 34.50 31.64 3cbw s PRO 87 CO 0.11 -0.49 1.82 0.00 0.04 0.00 0.00 177.00 178.49 3cbw h ALA 88 N 3.65 1.13 -3.43 8.56 0.00 -1.53 -3.33 119.26 124.31 3cbw h ALA 88 Ca -0.49 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 53.59 3cbw h ALA 88 Cb 1.23 -0.32 -0.19 0.00 0.00 0.00 0.00 17.79 18.50 3cbw h ALA 88 CO 0.69 0.65 -0.67 0.42 0.00 0.00 0.00 179.25 180.34 3cbw s ILE 89 N -5.65 3.90 -0.09 0.00 1.01 0.03 -0.56 121.20 119.84 3cbw s ILE 89 Ca -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3cbw s ILE 89 Cb 0.16 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.98 3cbw s ILE 89 CO 0.83 0.55 -0.17 -0.47 0.00 0.00 0.00 174.94 175.68 3cbw s TYR 90 N -0.26 1.98 0.01 3.97 5.04 -0.72 -1.33 117.35 126.05 3cbw s TYR 90 Ca 0.04 -0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3cbw s TYR 90 Cb -0.13 -1.39 -0.04 0.00 0.35 0.00 0.00 41.96 40.75 3cbw s TYR 90 CO 0.02 -0.40 0.11 0.20 -1.34 0.00 0.00 175.55 174.15 3cbw s GLY 91 N 0.71 2.07 0.07 8.97 0.00 -0.20 -1.38 107.32 117.56 3cbw s GLY 91 Ca -0.12 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.76 3cbw s GLY 91 CO 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 173.10 172.24 3cbw s ASP 93 N -1.98 3.01 0.48 0.00 -1.08 -0.85 -1.99 116.67 114.26 3cbw s ASP 93 Ca -0.01 -0.59 0.28 0.00 -0.52 0.00 0.00 52.55 51.70 3cbw s ASP 93 Cb -0.07 -1.39 0.92 0.00 -1.46 0.00 0.00 42.92 40.91 3cbw s ASP 93 CO 0.01 0.02 1.82 1.88 0.52 0.00 0.00 175.17 179.41 3cbw h TYR 94 N 7.73 0.00 -3.47 -5.34 0.05 -1.75 -0.55 116.97 113.64 3cbw h TYR 94 Ca -0.40 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.72 3cbw h TYR 94 Cb 1.16 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.60 3cbw h TYR 94 CO 0.47 0.08 -0.72 0.00 -1.05 0.00 0.00 178.16 176.94 3cbw s ALA 95 N -3.50 2.79 -1.10 3.88 0.00 -1.26 -0.71 121.76 121.86 3cbw s ALA 95 Ca 0.03 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 3cbw s ALA 95 Cb 0.08 -1.75 0.30 0.00 0.00 0.00 0.00 23.12 21.74 3cbw s ALA 95 CO 0.61 -0.68 1.36 0.54 0.00 0.00 0.00 175.76 177.58 3cbw n ARG 96 N 4.75 4.15 0.00 0.00 3.00 -0.01 -3.36 116.66 125.18 3cbw n ARG 96 Ca -0.17 -4.52 0.11 0.00 -0.01 0.00 0.00 57.85 53.26 3cbw n ARG 96 Cb 0.49 -2.53 0.59 0.00 0.00 0.00 0.00 32.46 31.01 3cbw n ARG 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cbw n GLY 97 N 1.81 -0.88 0.14 -0.13 0.00 -0.51 -1.90 105.19 103.72 3cbw n GLY 97 Ca 0.25 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3cbw n GLY 97 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3cbw h TRP 98 N 0.00 0.00 -3.53 1.61 0.09 -1.89 -2.88 115.95 109.34 3cbw h TRP 98 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.46 3cbw h TRP 98 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.38 3cbw h TRP 98 CO 0.00 0.00 0.56 -0.51 0.09 0.00 0.00 178.44 178.58 3cbw s LEU 99 N -5.12 4.46 -0.29 0.11 1.43 -0.80 -4.55 118.68 113.92 3cbw s LEU 99 Ca 0.09 2.26 -0.19 0.00 -1.03 0.00 0.00 54.13 55.26 3cbw s LEU 99 Cb 0.10 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3cbw s LEU 99 CO 0.64 -0.36 0.57 -1.61 0.23 0.00 0.00 176.35 175.82 3cbw s GLU 100 N -0.44 3.93 0.16 1.70 0.41 -1.26 -2.34 118.70 120.85 3cbw s GLU 100 Ca 0.52 0.24 0.04 0.00 -0.41 0.00 0.00 54.97 55.36 3cbw s GLU 100 Cb -0.33 -3.71 -0.05 0.00 -1.78 0.00 0.00 34.13 28.27 3cbw s GLU 100 CO 0.38 -0.49 -0.07 0.95 -0.49 0.00 0.00 175.26 175.54 3cbw s THR 101 N 2.46 1.03 0.17 3.63 -4.23 -1.26 -5.01 115.64 112.43 3cbw s THR 101 Ca 0.23 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 3cbw s THR 101 Cb -0.15 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.80 3cbw s THR 101 CO 0.11 -0.65 1.77 0.00 -0.54 0.00 0.00 174.62 175.31 3cbw h ALA 102 N 2.73 0.74 -4.33 3.99 0.00 -1.96 -3.42 119.26 117.01 3cbw h ALA 102 Ca -0.37 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 3cbw h ALA 102 Cb 1.20 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.45 3cbw h ALA 102 CO 0.64 0.29 -0.87 -0.80 0.00 0.00 0.00 179.25 178.51 3cbw s ASN 103 N -5.94 2.63 0.37 0.00 0.01 -1.26 -5.02 114.94 105.74 3cbw s ASN 103 Ca -0.13 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.70 3cbw s ASN 103 Cb 0.13 -0.42 0.83 0.00 0.41 0.00 0.00 41.25 42.20 3cbw s ASN 103 CO 0.78 0.25 1.91 -0.29 -1.51 0.00 0.00 177.10 178.24 3cbw h ILE 104 N 4.75 0.90 0.00 0.60 2.10 -1.81 -1.07 117.51 122.98 3cbw h ILE 104 Ca -0.38 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3cbw h ILE 104 Cb 1.14 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 3cbw h ILE 104 CO 0.47 0.12 0.00 -1.84 -1.08 0.00 0.00 178.15 175.83 3cbw n GLU 105 N -4.51 0.03 0.31 2.19 0.00 -1.26 -2.13 120.64 115.27 3cbw n GLU 105 Ca 0.14 0.28 0.19 0.00 0.00 0.00 0.00 57.16 57.78 3cbw n GLU 105 Cb 0.39 -1.57 1.01 0.00 0.00 0.00 0.00 31.44 31.28 3cbw n GLU 105 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3cbw h ASP 106 N 0.00 0.00 0.41 -1.84 3.32 -1.60 -1.17 116.42 115.54 3cbw h ASP 106 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cbw h ASP 106 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3cbw h ASP 106 CO 0.00 0.02 -0.02 0.77 -1.72 0.00 0.00 179.24 178.29 3cbw h SER 107 N 0.00 0.00 -3.33 6.45 4.64 -1.62 -3.43 113.55 116.27 3cbw h SER 107 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3cbw h SER 107 Cb 0.16 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 3cbw h SER 107 CO 0.00 0.02 -0.10 -0.63 -0.87 0.00 0.00 176.83 175.25 3cbw s ILE 108 N -4.01 5.16 -0.02 0.95 -1.09 -0.44 -0.83 121.20 120.92 3cbw s ILE 108 Ca -0.03 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 3cbw s ILE 108 Cb 0.12 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 3cbw s ILE 108 CO 0.49 0.32 -0.05 -0.62 -1.23 0.00 0.00 174.94 173.85 3cbw s ASP 109 N 0.61 0.71 -0.07 3.58 2.15 0.11 -5.02 116.67 118.74 3cbw s ASP 109 Ca 0.28 -0.10 0.10 0.00 0.43 0.00 0.00 52.55 53.25 3cbw s ASP 109 Cb -0.16 -0.18 0.16 0.00 -0.30 0.00 0.00 42.92 42.45 3cbw s ASP 109 CO 0.12 0.03 1.09 1.33 -0.17 0.00 0.00 175.17 177.56 3cbw n VAL 110 N 3.31 1.47 0.28 1.11 0.24 -1.26 -4.45 118.33 119.02 3cbw n VAL 110 Ca -0.17 -1.65 0.14 0.00 -2.04 0.00 0.00 64.34 60.62 3cbw n VAL 110 Cb 0.56 0.12 0.69 0.00 -1.47 0.00 0.00 33.84 33.73 3cbw n VAL 110 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3cbw h SER 111 N 0.05 0.00 0.50 -1.34 4.64 -1.97 -1.49 113.55 113.94 3cbw h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cbw h SER 111 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3cbw h SER 111 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cbw h ASN 113 N 0.00 0.03 -0.46 0.00 2.35 -1.67 -2.13 115.58 113.70 3cbw h ASN 113 Ca 0.00 0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3cbw h ASN 113 Cb 0.25 0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.70 3cbw h ASN 113 CO 0.00 0.01 0.02 1.23 -1.65 0.00 0.00 177.43 177.04 3cbw h GLY 114 N 0.28 0.49 1.52 2.83 0.00 -1.84 -0.12 103.07 106.23 3cbw h GLY 114 Ca 0.34 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 3cbw h GLY 114 CO -0.42 -0.11 -0.03 -0.55 0.00 0.00 0.00 176.54 175.43 3cbw h ASP 115 N 0.14 0.56 -0.36 0.19 3.32 -1.68 -0.96 116.42 117.62 3cbw h ASP 115 Ca 0.23 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3cbw h ASP 115 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3cbw h ASP 115 CO -0.36 0.65 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.66 3cbw h LEU 116 N 0.56 0.69 -0.67 1.55 3.38 -0.69 -0.18 115.31 119.95 3cbw h LEU 116 Ca 0.11 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3cbw h LEU 116 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3cbw h LEU 116 CO 0.02 0.89 0.33 0.24 0.09 0.00 0.00 178.44 180.00 3cbw h MET 117 N 0.48 0.97 -0.34 1.13 2.86 -0.84 -2.38 114.93 116.81 3cbw h MET 117 Ca 0.09 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3cbw h MET 117 Cb 0.58 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3cbw h MET 117 CO 0.03 0.77 -0.05 0.77 1.06 0.00 0.00 176.91 179.49 3cbw h SER 118 N 0.94 0.52 -0.53 1.22 0.02 -1.06 -1.31 113.55 113.34 3cbw h SER 118 Ca 0.23 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3cbw h SER 118 Cb 0.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3cbw h SER 118 CO -0.03 0.63 0.22 0.22 -1.14 0.00 0.00 176.83 176.73 3cbw h TYR 119 N 0.52 0.79 -0.06 3.45 5.03 -0.59 -0.50 116.97 125.61 3cbw h TYR 119 Ca 0.10 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 3cbw h TYR 119 Cb 0.41 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 3cbw h TYR 119 CO 0.01 0.64 0.04 2.35 -1.32 0.00 0.00 178.16 179.88 3cbw h TRP 120 N 0.71 0.08 -0.95 -3.82 2.91 -1.12 0.06 115.95 113.82 3cbw h TRP 120 Ca 0.18 -0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.36 3cbw h TRP 120 Cb 0.18 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 28.72 3cbw h TRP 120 CO 0.00 0.10 0.60 -0.22 -1.03 0.00 0.00 178.44 177.89 3cbw h LYS 121 N 0.04 0.69 -0.64 2.65 1.63 -0.93 -2.18 116.57 117.83 3cbw h LYS 121 Ca 0.02 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3cbw h LYS 121 Cb 0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3cbw h LYS 121 CO -0.00 0.45 0.00 0.09 -3.45 0.00 0.00 179.45 176.54 3cbw n ASN 122 N -4.62 4.84 0.00 4.20 3.02 -0.22 -4.92 115.26 117.56 3cbw n ASN 122 Ca 0.20 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 3cbw n ASN 122 Cb 0.53 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3cbw n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cbw n GLY 123 N 0.77 1.08 0.00 7.41 0.00 -0.82 -4.38 105.19 109.25 3cbw n GLY 123 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3cbw n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cbw n GLY 124 N -1.80 5.73 2.83 -0.02 0.00 -0.04 -1.15 105.19 110.74 3cbw n GLY 124 Ca 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 3cbw n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cbw s ILE 125 N -0.10 0.14 0.46 -0.61 1.01 0.28 -3.92 121.20 118.46 3cbw s ILE 125 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 3cbw s ILE 125 Cb 0.00 -0.21 -0.08 0.00 0.01 0.00 0.00 42.46 42.18 3cbw s ILE 125 CO 0.00 0.11 0.91 -2.16 0.00 0.00 0.00 174.94 173.80 3cbw s PRO 126 N 0.78 3.94 -0.02 2.79 0.04 -1.26 -1.75 135.00 139.52 3cbw s PRO 126 Ca -0.08 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.81 3cbw s PRO 126 Cb -0.11 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3cbw s PRO 126 CO -0.02 -0.15 -0.07 -1.14 0.04 0.00 0.00 177.00 175.67 3cbw s GLN 127 N -3.82 0.77 -0.09 4.56 -0.44 -0.48 -1.55 119.66 118.62 3cbw s GLN 127 Ca 0.57 -0.24 0.03 0.00 -2.50 0.00 0.00 55.36 53.22 3cbw s GLN 127 Cb -0.10 -0.74 0.01 0.00 -1.64 0.00 0.00 33.01 30.54 3cbw s GLN 127 CO 0.28 0.08 -0.18 0.42 0.50 0.00 0.00 175.29 176.39 3cbw s ILE 128 N 0.22 1.62 0.46 -2.34 1.01 0.13 -0.74 121.20 121.55 3cbw s ILE 128 Ca -0.03 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.92 3cbw s ILE 128 Cb -0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3cbw s ILE 128 CO 0.00 0.46 0.11 -0.94 0.00 0.00 0.00 174.94 174.57 3cbw s SER 129 N 0.55 4.21 -0.19 3.58 1.04 -0.84 -0.93 113.70 121.12 3cbw s SER 129 Ca -0.16 -1.35 -0.05 0.00 0.48 0.00 0.00 55.95 54.87 3cbw s SER 129 Cb -0.17 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 65.97 3cbw s SER 129 CO 0.06 -0.68 0.13 -0.76 0.98 0.00 0.00 173.24 172.97 3cbw s LEU 130 N -3.89 0.23 -1.37 2.42 1.43 -1.26 -2.91 118.68 113.32 3cbw s LEU 130 Ca 0.28 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3cbw s LEU 130 Cb 0.04 -0.07 0.10 0.00 0.03 0.00 0.00 46.19 46.29 3cbw s LEU 130 CO 0.15 -0.35 2.07 1.41 0.23 0.00 0.00 176.35 179.86 3cbw n HIS 131 N 5.29 3.19 -1.79 0.29 8.25 -1.21 -4.62 115.22 124.61 3cbw n HIS 131 Ca -0.06 -2.88 -0.42 0.00 -0.26 0.00 0.00 57.72 54.10 3cbw n HIS 131 Cb 0.49 -2.24 -0.02 0.00 1.12 0.00 0.00 29.99 29.34 3cbw n HIS 131 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cbw s LEU 132 N 0.90 4.35 0.93 2.41 1.43 -1.26 -1.42 118.68 126.02 3cbw s LEU 132 Ca 0.44 2.91 -0.11 0.00 -1.03 0.00 0.00 54.13 56.34 3cbw s LEU 132 Cb 0.12 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.84 3cbw s LEU 132 CO -0.04 -0.90 0.98 0.00 0.23 0.00 0.00 176.35 176.61 3cbw n ALA 133 N 2.50 -1.25 -2.54 4.21 0.00 -1.26 -4.55 120.51 117.62 3cbw n ALA 133 Ca 0.09 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 3cbw n ALA 133 Cb 0.37 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 3cbw n ALA 133 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cbw s ASN 134 N -2.49 6.19 0.00 0.00 3.84 0.29 -4.90 114.94 117.87 3cbw s ASN 134 Ca 0.65 -0.78 0.22 0.00 0.21 0.00 0.00 52.86 53.16 3cbw s ASN 134 Cb -0.23 -2.22 1.31 0.00 -0.55 0.00 0.00 41.25 39.56 3cbw s ASN 134 CO 0.60 -0.60 1.69 -0.81 -2.79 0.00 0.00 177.10 175.19 3cbw n PRO 135 N 5.58 0.67 0.11 0.43 -0.04 -1.26 -1.32 135.00 139.17 3cbw n PRO 135 Ca -0.08 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 3cbw n PRO 135 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.89 3cbw n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cbw n ALA 136 N -1.01 1.72 -2.55 0.55 0.00 -1.26 -4.37 120.51 113.58 3cbw n ALA 136 Ca 0.16 0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.39 3cbw n ALA 136 Cb 0.08 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 3cbw n ALA 136 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3cbw s PHE 137 N -3.24 2.41 0.25 0.00 0.08 -0.43 -5.03 117.98 112.01 3cbw s PHE 137 Ca 0.05 -0.54 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 3cbw s PHE 137 Cb 0.10 -1.44 0.31 0.00 -0.57 0.00 0.00 43.02 41.41 3cbw s PHE 137 CO 0.39 0.55 1.90 0.37 -0.10 0.00 0.00 175.22 178.32 3cbw h GLN 138 N 1.99 1.16 -2.69 0.44 -0.00 -1.87 -3.46 115.11 110.67 3cbw h GLN 138 Ca -0.42 -0.07 0.10 0.00 -0.00 0.00 0.00 58.65 58.26 3cbw h GLN 138 Cb 1.25 -0.26 -0.04 0.00 0.00 0.00 0.00 27.48 28.43 3cbw h GLN 138 CO 0.72 0.77 0.42 -1.54 0.00 0.00 0.00 178.83 179.20 3cbw s SER 139 N -5.96 -0.07 0.89 -0.69 1.04 -1.26 -3.88 113.70 103.76 3cbw s SER 139 Ca -0.13 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3cbw s SER 139 Cb 0.18 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.94 3cbw s SER 139 CO 0.81 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3cbw n GLY 140 N -0.56 1.86 2.50 7.32 0.00 -0.99 -4.76 105.19 110.56 3cbw n GLY 140 Ca -0.05 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 3cbw n GLY 140 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cbw n HIS 141 N 6.56 -1.14 0.29 1.61 8.25 -1.19 -0.55 115.22 129.05 3cbw n HIS 141 Ca 0.00 0.12 0.16 0.00 -0.26 0.00 0.00 57.72 57.74 3cbw n HIS 141 Cb 0.00 -3.87 0.93 0.00 1.12 0.00 0.00 29.99 28.17 3cbw n HIS 141 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cbw h PHE 142 N -0.32 0.00 -0.26 4.41 -0.00 -1.75 -1.41 116.94 117.61 3cbw h PHE 142 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 3cbw h PHE 142 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.29 3cbw h PHE 142 CO 0.51 0.00 0.00 1.63 -0.00 0.00 0.00 178.31 180.45 3cbw n LYS 143 N -3.77 2.82 -3.19 6.09 5.02 -1.26 -1.80 118.16 122.07 3cbw n LYS 143 Ca -0.03 -2.61 -0.40 0.00 -2.02 0.00 0.00 58.31 53.26 3cbw n LYS 143 Cb 0.11 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 3cbw n LYS 143 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3cbw s THR 144 N -2.35 5.04 0.64 -0.18 2.01 -0.53 -4.79 115.64 115.48 3cbw s THR 144 Ca 0.36 1.00 -0.14 0.00 0.31 0.00 0.00 61.69 63.21 3cbw s THR 144 Cb 0.28 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 3cbw s THR 144 CO 0.10 0.09 1.07 -2.16 -0.69 0.00 0.00 174.62 173.03 3cbw s PRO 145 N 2.22 3.03 0.16 4.92 0.04 -1.26 -4.44 135.00 139.66 3cbw s PRO 145 Ca 0.24 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.55 3cbw s PRO 145 Cb -0.16 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3cbw s PRO 145 CO 0.09 -1.04 -0.11 0.96 0.04 0.00 0.00 177.00 176.93 3cbw s ILE 146 N -2.55 1.30 0.67 0.56 -4.36 -1.26 -5.08 121.20 110.47 3cbw s ILE 146 Ca 0.63 -2.06 -0.09 0.00 -0.26 0.00 0.00 60.65 58.87 3cbw s ILE 146 Cb -0.17 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3cbw s ILE 146 CO 0.42 -0.69 1.02 0.42 0.24 0.00 0.00 174.94 176.35 3cbw s THR 147 N -3.16 3.39 0.39 8.37 -4.23 -1.26 -4.89 115.64 114.25 3cbw s THR 147 Ca 0.17 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 3cbw s THR 147 Cb 0.01 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 70.69 3cbw s THR 147 CO 0.02 -0.49 2.01 0.78 -0.54 0.00 0.00 174.62 176.41 3cbw h ASN 148 N -0.48 0.51 -0.69 3.99 2.35 -2.00 -0.61 115.58 118.65 3cbw h ASN 148 Ca -0.45 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 3cbw h ASN 148 Cb 1.26 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.47 3cbw h ASN 148 CO 0.62 0.41 0.18 0.44 -1.65 0.00 0.00 177.43 177.44 3cbw h ASP 149 N 0.59 1.04 -0.54 5.81 3.32 -1.99 0.07 116.42 124.72 3cbw h ASP 149 Ca 0.15 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3cbw h ASP 149 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3cbw h ASP 149 CO -0.03 1.00 0.06 1.56 -1.72 0.00 0.00 179.24 180.11 3cbw h GLN 150 N 1.04 0.91 -0.85 3.56 4.20 -1.80 -2.80 115.11 119.36 3cbw h GLN 150 Ca 0.22 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3cbw h GLN 150 Cb 0.35 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3cbw h GLN 150 CO -0.00 0.90 0.46 -0.92 -0.67 0.00 0.00 178.83 178.60 3cbw h TYR 151 N 0.79 1.17 -0.90 2.96 3.20 -0.83 -2.15 116.97 121.21 3cbw h TYR 151 Ca 0.16 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3cbw h TYR 151 Cb 0.45 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3cbw h TYR 151 CO 0.03 0.81 0.60 0.87 -1.64 0.00 0.00 178.16 178.83 3cbw h LYS 152 N 1.19 1.15 -0.76 1.82 1.57 -0.87 -2.27 116.57 118.40 3cbw h LYS 152 Ca 0.30 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3cbw h LYS 152 Cb 0.03 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3cbw h LYS 152 CO -0.05 0.76 0.27 0.87 -0.57 0.00 0.00 179.45 180.73 3cbw h LYS 153 N 1.19 1.16 -0.51 3.15 1.57 -1.14 -2.64 116.57 119.35 3cbw h LYS 153 Ca 0.34 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3cbw h LYS 153 Cb -0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3cbw h LYS 153 CO -0.09 0.96 0.34 0.82 -0.57 0.00 0.00 179.45 180.91 3cbw h ILE 154 N 1.11 1.04 0.00 1.86 2.04 -0.96 -1.77 117.51 120.83 3cbw h ILE 154 Ca 0.25 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3cbw h ILE 154 Cb 0.26 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3cbw h ILE 154 CO -0.01 0.10 0.00 -0.07 0.00 0.00 0.00 178.15 178.17 3cbw h LEU 155 N 0.55 0.00 -8.41 1.44 3.38 -1.18 -3.34 115.31 107.74 3cbw h LEU 155 Ca 0.21 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.46 3cbw h LEU 155 Cb 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.69 3cbw h LEU 155 CO -0.05 0.00 -0.28 -0.62 0.09 0.00 0.00 178.44 177.57 3cbw s ASP 156 N -5.06 6.16 0.30 -0.43 -1.08 -0.67 -4.94 116.67 110.95 3cbw s ASP 156 Ca 0.06 -1.03 0.20 0.00 -0.52 0.00 0.00 52.55 51.26 3cbw s ASP 156 Cb 0.09 -2.20 1.09 0.00 -1.46 0.00 0.00 42.92 40.44 3cbw s ASP 156 CO 0.54 -0.61 1.62 -1.20 0.52 0.00 0.00 175.17 176.03 3cbw n SER 157 N 5.40 0.53 -0.10 -0.34 7.64 -1.26 -1.88 113.62 123.60 3cbw n SER 157 Ca -0.10 0.74 0.13 0.00 1.01 0.00 0.00 58.87 60.65 3cbw n SER 157 Cb 0.46 -0.81 0.44 0.00 -1.01 0.00 0.00 64.21 63.29 3cbw n SER 157 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cbw n SER 158 N -2.20 0.57 -4.97 6.43 3.41 -1.26 -4.04 113.62 111.55 3cbw n SER 158 Ca -0.01 -0.43 -0.21 0.00 -0.26 0.00 0.00 58.87 57.96 3cbw n SER 158 Cb 0.04 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3cbw n SER 158 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3cbw s THR 159 N -2.70 3.65 0.31 6.66 -4.23 -0.79 -4.94 115.64 113.60 3cbw s THR 159 Ca 0.21 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3cbw s THR 159 Cb 0.19 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.99 3cbw s THR 159 CO 0.56 -0.18 1.97 1.62 -0.54 0.00 0.00 174.62 178.05 3cbw h VAL 160 N 0.51 1.17 -0.23 2.29 3.04 -1.91 -0.63 116.25 120.50 3cbw h VAL 160 Ca -0.45 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 3cbw h VAL 160 Cb 1.27 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3cbw h VAL 160 CO 0.53 0.19 0.08 -0.33 -1.01 0.00 0.00 177.57 177.03 3cbw h GLU 161 N 1.03 0.35 -0.66 4.17 3.07 -1.83 -1.21 114.58 119.49 3cbw h GLU 161 Ca 0.30 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3cbw h GLU 161 Cb -0.06 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 3cbw h GLU 161 CO -0.07 0.42 0.20 0.78 -1.40 0.00 0.00 179.01 178.93 3cbw h GLY 162 N 0.21 1.10 1.25 -3.84 0.00 -1.47 -1.45 103.07 98.87 3cbw h GLY 162 Ca 0.08 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3cbw h GLY 162 CO -0.00 0.59 -0.03 0.50 0.00 0.00 0.00 176.54 177.60 3cbw h LYS 163 N 0.98 0.90 -0.48 4.80 1.57 -0.94 -0.84 116.57 122.56 3cbw h LYS 163 Ca 0.22 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3cbw h LYS 163 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3cbw h LYS 163 CO -0.01 0.91 0.20 0.00 -0.57 0.00 0.00 179.45 179.99 3cbw h ARG 164 N 0.83 0.71 -0.10 3.15 3.08 -0.92 -0.27 114.38 120.85 3cbw h ARG 164 Ca 0.15 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3cbw h ARG 164 Cb 0.53 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3cbw h ARG 164 CO 0.03 0.63 -0.04 1.25 -1.07 0.00 0.00 179.97 180.76 3cbw h LEU 165 N 0.63 -0.14 -1.45 3.04 5.85 -1.02 -2.43 115.31 119.78 3cbw h LEU 165 Ca 0.16 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3cbw h LEU 165 Cb 0.18 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3cbw h LEU 165 CO -0.01 -0.06 -0.09 0.78 -0.34 0.00 0.00 178.44 178.72 3cbw h ASN 166 N -0.03 0.23 -0.68 1.25 2.35 -0.89 -0.53 115.58 117.29 3cbw h ASN 166 Ca 0.06 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3cbw h ASN 166 Cb 0.11 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3cbw h ASN 166 CO -0.12 0.36 0.33 0.00 -1.65 0.00 0.00 177.43 176.34 3cbw h ALA 167 N 1.68 0.87 -0.19 -0.83 0.00 -0.78 0.35 119.26 120.37 3cbw h ALA 167 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3cbw h ALA 167 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cbw h ALA 167 CO 0.02 0.44 0.05 0.52 0.00 0.00 0.00 179.25 180.27 3cbw h MET 168 N 0.94 0.31 -0.78 0.00 2.86 -0.87 -2.83 114.93 114.57 3cbw h MET 168 Ca 0.23 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3cbw h MET 168 Cb 0.12 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3cbw h MET 168 CO -0.03 0.44 0.46 -0.07 1.06 0.00 0.00 176.91 178.77 3cbw h LEU 169 N 0.12 0.94 -0.57 1.22 3.38 -0.86 -1.14 115.31 118.40 3cbw h LEU 169 Ca 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3cbw h LEU 169 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3cbw h LEU 169 CO 0.00 0.73 0.26 -1.28 0.09 0.00 0.00 178.44 178.24 3cbw h SER 170 N 1.07 0.76 -0.34 -0.43 0.87 -0.88 0.44 113.55 115.04 3cbw h SER 170 Ca 0.28 -0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 3cbw h SER 170 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3cbw h SER 170 CO -0.05 0.70 -0.35 0.50 -0.53 0.00 0.00 176.83 177.10 3cbw h LYS 171 N 0.78 0.89 -0.28 2.24 3.64 -1.19 -1.29 116.57 121.36 3cbw h LYS 171 Ca 0.20 -0.44 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3cbw h LYS 171 Cb 0.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3cbw h LYS 171 CO -0.02 1.09 0.14 0.82 -2.27 0.00 0.00 179.45 179.20 3cbw h ILE 172 N 0.73 0.99 -0.68 2.00 2.04 -1.01 -2.24 117.51 119.34 3cbw h ILE 172 Ca 0.07 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3cbw h ILE 172 Cb 0.92 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3cbw h ILE 172 CO 0.09 0.05 0.29 0.00 0.00 0.00 0.00 178.15 178.58 3cbw h ALA 173 N 1.14 1.22 -0.85 1.87 0.00 -0.73 0.49 119.26 122.41 3cbw h ALA 173 Ca 0.11 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3cbw h ALA 173 Cb 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3cbw h ALA 173 CO -0.08 0.58 0.55 -0.44 0.00 0.00 0.00 179.25 179.86 3cbw h ASP 174 N 0.98 0.91 -0.26 0.00 3.32 -0.96 0.08 116.42 120.49 3cbw h ASP 174 Ca 0.23 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3cbw h ASP 174 Cb 0.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3cbw h ASP 174 CO -0.02 0.63 0.02 1.23 -1.72 0.00 0.00 179.24 179.38 3cbw h GLY 175 N 1.07 0.47 1.58 2.75 0.00 -0.69 -3.08 103.07 105.17 3cbw h GLY 175 Ca 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3cbw h GLY 175 CO -0.11 0.30 0.14 1.41 0.00 0.00 0.00 176.54 178.28 3cbw h LEU 176 N 0.23 0.49 -1.46 3.11 3.38 -0.43 -2.17 115.31 118.47 3cbw h LEU 176 Ca 0.08 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3cbw h LEU 176 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3cbw h LEU 176 CO 0.01 0.46 0.39 -0.61 0.09 0.00 0.00 178.44 178.78 3cbw h GLN 177 N 0.54 0.69 -0.90 1.13 5.75 -0.90 -1.67 115.11 119.75 3cbw h GLN 177 Ca 0.13 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3cbw h GLN 177 Cb 0.13 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 3cbw h GLN 177 CO -0.01 0.46 0.59 1.49 -2.65 0.00 0.00 178.83 178.71 3cbw h GLU 178 N 0.71 1.13 -0.31 1.69 4.81 -1.37 -0.96 114.58 120.28 3cbw h GLU 178 Ca 0.23 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 3cbw h GLU 178 Cb 0.05 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3cbw h GLU 178 CO -0.06 0.75 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.41 3cbw h LEU 179 N 1.17 0.95 -1.40 1.64 3.38 -1.41 -3.10 115.31 116.54 3cbw h LEU 179 Ca 0.35 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3cbw h LEU 179 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3cbw h LEU 179 CO -0.10 1.28 0.26 -0.08 0.09 0.00 0.00 178.44 179.88 3cbw h GLU 180 N 0.68 0.66 0.00 1.13 4.81 -0.74 -1.87 114.58 119.25 3cbw h GLU 180 Ca 0.03 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3cbw h GLU 180 Cb 1.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 3cbw h GLU 180 CO 0.11 0.49 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.96 3cbw h ASN 181 N 0.67 0.00 -0.52 1.04 2.35 -1.11 0.19 115.58 118.19 3cbw h ASN 181 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3cbw h ASN 181 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3cbw h ASN 181 CO -0.03 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 3cbw n GLN 182 N -3.26 2.94 -1.90 0.81 1.13 -0.76 -4.98 117.38 111.36 3cbw n GLN 182 Ca -0.02 -2.43 -0.13 0.00 -1.94 0.00 0.00 57.00 52.49 3cbw n GLN 182 Cb 0.14 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 3cbw n GLN 182 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cbw n GLY 183 N 0.92 0.43 3.61 1.08 0.00 0.05 -4.97 105.19 106.31 3cbw n GLY 183 Ca 0.19 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3cbw n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cbw s VAL 184 N -2.57 4.80 0.45 1.61 1.01 -0.88 -4.81 120.40 120.02 3cbw s VAL 184 Ca 0.00 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.87 3cbw s VAL 184 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3cbw s VAL 184 CO 0.00 -0.26 1.18 -2.84 0.00 0.00 0.00 175.10 173.19 3cbw s PRO 185 N 2.94 3.79 -0.06 2.72 0.02 -1.26 -4.52 135.00 138.63 3cbw s PRO 185 Ca 0.32 1.83 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3cbw s PRO 185 Cb -0.14 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 31.93 3cbw s PRO 185 CO 0.13 -0.54 -0.08 0.08 -0.33 0.00 0.00 177.00 176.26 3cbw s VAL 186 N -1.49 0.80 -0.52 3.83 1.01 -0.28 -4.29 120.40 119.47 3cbw s VAL 186 Ca 0.62 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 3cbw s VAL 186 Cb -0.30 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3cbw s VAL 186 CO 0.37 0.28 1.27 -0.76 0.00 0.00 0.00 175.10 176.27 3cbw s LEU 187 N 0.85 3.51 -0.28 3.92 1.43 -0.60 -0.85 118.68 126.66 3cbw s LEU 187 Ca -0.12 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3cbw s LEU 187 Cb -0.15 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3cbw s LEU 187 CO 0.01 -1.47 0.08 0.12 0.23 0.00 0.00 176.35 175.33 3cbw s PHE 188 N 5.18 3.12 -0.64 0.29 5.36 0.65 -0.69 117.98 131.25 3cbw s PHE 188 Ca 0.50 -0.73 0.05 0.00 -0.96 0.00 0.00 56.93 55.79 3cbw s PHE 188 Cb -0.09 -2.26 0.17 0.00 -0.34 0.00 0.00 43.02 40.50 3cbw s PHE 188 CO 0.29 -0.49 0.46 -2.13 -1.46 0.00 0.00 175.22 171.89 3cbw n ARG 189 N 4.90 1.45 -2.97 10.12 0.63 -0.10 -0.83 116.66 129.85 3cbw n ARG 189 Ca -0.15 -4.18 -0.30 0.00 -0.92 0.00 0.00 57.85 52.30 3cbw n ARG 189 Cb 0.49 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 31.23 3cbw n ARG 189 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3cbw s PRO 190 N -1.12 3.74 -1.30 -0.14 0.04 -1.26 -4.17 135.00 130.79 3cbw s PRO 190 Ca 0.27 0.35 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 3cbw s PRO 190 Cb -0.02 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3cbw s PRO 190 CO -0.18 0.02 0.96 1.28 0.04 0.00 0.00 177.00 179.12 3cbw n LEU 191 N -1.22 -3.50 -4.86 -3.56 4.77 -1.26 -4.82 117.00 102.54 3cbw n LEU 191 Ca 0.01 -0.68 -0.30 0.00 -0.03 0.00 0.00 56.01 55.01 3cbw n LEU 191 Cb 0.54 -2.92 0.04 0.00 -2.33 0.00 0.00 43.42 38.74 3cbw n LEU 191 CO 0.48 0.45 0.73 -1.38 -1.33 0.00 0.00 177.39 176.34 3cbw s HIS 192 N -3.43 3.34 -1.46 -1.77 -3.43 -1.26 -4.13 115.29 103.15 3cbw s HIS 192 Ca 0.19 1.17 -0.10 0.00 -0.80 0.00 0.00 55.06 55.52 3cbw s HIS 192 Cb -0.09 -2.95 0.05 0.00 -1.43 0.00 0.00 32.58 28.17 3cbw s HIS 192 CO 0.76 -1.10 0.83 0.39 -2.00 0.00 0.00 174.74 173.62 3cbw n GLU 193 N -2.99 -5.32 0.28 -0.38 1.02 0.55 -4.86 120.64 108.95 3cbw n GLU 193 Ca 0.07 0.68 0.17 0.00 -0.02 0.00 0.00 57.16 58.06 3cbw n GLU 193 Cb 0.56 -5.55 0.71 0.00 -0.02 0.00 0.00 31.44 27.13 3cbw n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cbw h MET 194 N -1.79 0.00 -0.00 3.49 -0.00 -1.79 -1.14 114.93 113.70 3cbw h MET 194 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.16 3cbw h MET 194 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.95 3cbw h MET 194 CO 0.60 0.01 -0.10 0.27 -0.00 0.00 0.00 176.91 177.70 3cbw n ASN 195 N -3.11 0.42 -4.81 -0.10 6.94 -1.26 -1.96 115.26 111.38 3cbw n ASN 195 Ca 0.00 -0.55 -0.27 0.00 -0.02 0.00 0.00 54.58 53.74 3cbw n ASN 195 Cb 0.30 -0.09 0.09 0.00 -2.36 0.00 0.00 39.78 37.72 3cbw n ASN 195 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3cbw s GLY 196 N -2.47 1.67 -0.05 4.83 0.00 -0.43 -4.69 107.32 106.18 3cbw s GLY 196 Ca 0.29 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 44.20 3cbw s GLY 196 CO 0.47 -0.42 1.20 -1.84 0.00 0.00 0.00 173.10 172.50 3cbw n GLU 197 N -3.16 2.71 -0.11 2.90 0.00 -1.26 -1.53 120.64 120.20 3cbw n GLU 197 Ca 0.09 -2.11 -0.25 0.00 0.00 0.00 0.00 57.16 54.90 3cbw n GLU 197 Cb 0.61 -1.33 -0.11 0.00 0.00 0.00 0.00 31.44 30.61 3cbw n GLU 197 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 3cbw n TRP 198 N -0.24 0.54 -2.70 -1.84 2.14 -1.26 -4.77 117.44 109.31 3cbw n TRP 198 Ca 0.11 0.20 -0.34 0.00 2.07 0.00 0.00 57.50 59.54 3cbw n TRP 198 Cb 0.49 -1.06 -0.06 0.00 -0.81 0.00 0.00 31.31 29.88 3cbw n TRP 198 CO 0.00 0.00 0.00 -0.06 2.07 0.00 0.00 177.69 179.70 3cbw s PHE 199 N -2.46 3.23 0.55 -2.67 0.08 -1.26 -4.30 117.98 111.14 3cbw s PHE 199 Ca -0.33 1.61 0.22 0.00 0.12 0.00 0.00 56.93 58.56 3cbw s PHE 199 Cb 0.10 -2.95 1.51 0.00 -0.57 0.00 0.00 43.02 41.11 3cbw s PHE 199 CO 0.57 -0.37 2.19 0.11 -0.10 0.00 0.00 175.22 177.62 3cbw h TRP 200 N 1.94 0.00 -0.00 0.36 5.08 -1.57 -2.00 115.95 119.76 3cbw h TRP 200 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3cbw h TRP 200 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3cbw h TRP 200 CO 0.60 0.01 -0.09 -2.67 -1.28 0.00 0.00 178.44 175.01 3cbw n TRP 201 N -4.20 0.00 -1.63 0.12 2.14 -1.26 -4.55 117.44 108.06 3cbw n TRP 201 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 3cbw n TRP 201 Cb 0.10 -0.21 0.00 0.00 -0.81 0.00 0.00 31.31 30.38 3cbw n TRP 201 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3cbw n GLY 202 N 1.29 1.55 3.72 -1.67 0.00 -0.75 -4.81 105.19 104.51 3cbw n GLY 202 Ca 0.14 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 3cbw n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cbw s LEU 203 N 0.00 2.21 -0.05 0.99 1.43 -0.58 -4.99 118.68 117.70 3cbw s LEU 203 Ca 0.00 1.46 0.15 0.00 -1.03 0.00 0.00 54.13 54.71 3cbw s LEU 203 Cb 0.00 -3.87 -0.22 0.00 0.03 0.00 0.00 46.19 42.13 3cbw s LEU 203 CO 0.00 -2.67 0.27 0.35 0.23 0.00 0.00 176.35 174.53 3cbw n THR 204 N -3.90 0.22 -4.16 5.49 -2.24 -1.26 -4.14 114.28 104.29 3cbw n THR 204 Ca 0.07 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3cbw n THR 204 Cb 0.55 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 3cbw n THR 204 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3cbw s SER 205 N -3.97 1.09 -0.34 3.42 0.01 -1.26 -4.98 113.70 107.67 3cbw s SER 205 Ca -0.06 -0.44 -0.39 0.00 1.31 0.00 0.00 55.95 56.37 3cbw s SER 205 Cb 0.08 -0.03 -0.14 0.00 0.21 0.00 0.00 66.02 66.14 3cbw s SER 205 CO 0.62 -0.08 1.98 0.00 0.41 0.00 0.00 173.24 176.17 3cbw n TYR 206 N 1.84 1.74 -2.36 2.43 9.36 -1.26 -1.80 117.16 127.12 3cbw n TYR 206 Ca -0.20 0.47 -0.14 0.00 3.32 0.00 0.00 57.90 61.35 3cbw n TYR 206 Cb 0.55 -2.46 -0.01 0.00 -0.63 0.00 0.00 39.34 36.79 3cbw n TYR 206 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3cbw n ASN 207 N 7.50 -4.19 -4.47 2.98 3.02 -1.26 -4.93 115.26 113.92 3cbw n ASN 207 Ca 0.37 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.66 3cbw n ASN 207 Cb 0.14 -3.57 -0.10 0.00 -0.61 0.00 0.00 39.78 35.65 3cbw n ASN 207 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3cbw s GLN 208 N -4.89 3.03 0.18 3.52 0.74 -0.74 -4.97 119.66 116.52 3cbw s GLN 208 Ca 0.00 -0.95 -0.31 0.00 0.05 0.00 0.00 55.36 54.15 3cbw s GLN 208 Cb 0.00 -3.96 -0.09 0.00 1.10 0.00 0.00 33.01 30.05 3cbw s GLN 208 CO 0.00 -0.74 1.45 0.21 -0.55 0.00 0.00 175.29 175.66 3cbw s LYS 209 N 1.75 4.28 -0.24 1.67 2.20 -1.26 -4.76 119.74 123.37 3cbw s LYS 209 Ca 0.06 2.24 -0.03 0.00 -0.36 0.00 0.00 55.97 57.87 3cbw s LYS 209 Cb -0.19 -3.17 0.08 0.00 -1.51 0.00 0.00 37.83 33.05 3cbw s LYS 209 CO 0.11 -0.46 0.09 0.34 -0.36 0.00 0.00 175.35 175.06 3cbw s ASP 210 N 0.79 3.21 0.26 1.43 -1.08 -1.26 -5.03 116.67 114.99 3cbw s ASP 210 Ca 0.64 -1.09 -0.04 0.00 -0.52 0.00 0.00 52.55 51.53 3cbw s ASP 210 Cb -0.41 -0.48 0.31 0.00 -1.46 0.00 0.00 42.92 40.88 3cbw s ASP 210 CO 0.36 -0.38 1.85 0.78 0.52 0.00 0.00 175.17 178.29 3cbw h ASN 211 N 8.31 0.97 -0.48 -0.34 2.35 -2.00 -1.38 115.58 123.01 3cbw h ASN 211 Ca -0.17 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 3cbw h ASN 211 Cb 1.07 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 3cbw h ASN 211 CO 0.39 0.83 0.03 -0.08 -1.65 0.00 0.00 177.43 176.95 3cbw h GLU 212 N 1.05 0.84 -0.76 0.81 4.57 -1.99 -1.94 114.58 117.14 3cbw h GLU 212 Ca 0.25 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3cbw h GLU 212 Cb 0.14 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3cbw h GLU 212 CO -0.03 0.87 0.48 -0.09 -1.18 0.00 0.00 179.01 179.06 3cbw h ARG 213 N 0.70 1.02 -0.50 1.92 9.65 -1.86 -0.08 114.38 125.23 3cbw h ARG 213 Ca 0.14 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3cbw h ARG 213 Cb 0.47 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3cbw h ARG 213 CO 0.02 0.70 0.32 0.82 2.80 0.00 0.00 179.97 184.62 3cbw h ILE 214 N 1.04 1.09 -0.40 1.20 2.04 -1.09 0.84 117.51 122.23 3cbw h ILE 214 Ca 0.28 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3cbw h ILE 214 Cb -0.08 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3cbw h ILE 214 CO -0.06 0.12 0.18 -1.28 0.00 0.00 0.00 178.15 177.11 3cbw h SER 215 N 0.64 0.53 -0.60 1.72 0.87 -0.92 -2.34 113.55 113.45 3cbw h SER 215 Ca 0.19 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 3cbw h SER 215 Cb -0.03 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 3cbw h SER 215 CO -0.06 0.53 0.15 -0.07 -0.53 0.00 0.00 176.83 176.84 3cbw h LEU 216 N 0.50 0.94 -0.23 2.23 3.38 -0.71 -1.73 115.31 119.68 3cbw h LEU 216 Ca 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3cbw h LEU 216 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3cbw h LEU 216 CO -0.01 0.91 0.09 0.22 0.09 0.00 0.00 178.44 179.74 3cbw h TYR 217 N 0.95 0.17 -0.90 1.13 3.20 -0.66 -0.12 116.97 120.75 3cbw h TYR 217 Ca 0.20 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3cbw h TYR 217 Cb 0.35 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 3cbw h TYR 217 CO 0.02 0.09 0.58 0.87 -1.64 0.00 0.00 178.16 178.08 3cbw h LYS 218 N 0.21 1.08 -0.83 1.82 1.57 -1.08 0.35 116.57 119.69 3cbw h LYS 218 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3cbw h LYS 218 Cb 0.05 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 3cbw h LYS 218 CO -0.09 0.72 0.49 1.96 -0.57 0.00 0.00 179.45 181.96 3cbw h GLN 219 N 1.12 1.14 -0.39 3.15 4.20 -0.89 -1.26 115.11 122.17 3cbw h GLN 219 Ca 0.36 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.88 3cbw h GLN 219 Cb 0.03 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3cbw h GLN 219 CO -0.13 0.81 -0.08 1.25 -0.67 0.00 0.00 178.83 180.01 3cbw h LEU 220 N 1.15 0.74 -0.32 1.46 5.85 -0.00 0.20 115.31 124.39 3cbw h LEU 220 Ca 0.30 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3cbw h LEU 220 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3cbw h LEU 220 CO -0.05 0.92 0.20 0.22 -0.34 0.00 0.00 178.44 179.39 3cbw h TYR 221 N 0.55 0.41 -0.34 1.25 3.20 -0.81 -1.43 116.97 119.79 3cbw h TYR 221 Ca 0.10 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3cbw h TYR 221 Cb 0.59 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3cbw h TYR 221 CO 0.05 0.29 -0.04 0.87 -1.64 0.00 0.00 178.16 177.69 3cbw h LYS 222 N 0.41 0.54 -0.59 1.82 1.57 -1.08 0.51 116.57 119.75 3cbw h LYS 222 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3cbw h LYS 222 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3cbw h LYS 222 CO -0.02 0.60 0.30 -0.22 -0.57 0.00 0.00 179.45 179.54 3cbw h LYS 223 N 0.51 0.84 -0.37 3.15 3.64 -0.54 0.89 116.57 124.70 3cbw h LYS 223 Ca 0.11 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3cbw h LYS 223 Cb 0.39 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3cbw h LYS 223 CO 0.02 0.66 -0.15 0.82 -2.27 0.00 0.00 179.45 178.53 3cbw h ILE 224 N 0.80 1.28 -0.39 2.00 2.04 -0.79 -0.28 117.51 122.18 3cbw h ILE 224 Ca 0.21 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3cbw h ILE 224 Cb 0.08 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3cbw h ILE 224 CO -0.03 0.42 0.09 0.22 0.00 0.00 0.00 178.15 178.85 3cbw h TYR 225 N 0.55 0.15 -0.23 1.37 3.20 -0.59 -0.69 116.97 120.73 3cbw h TYR 225 Ca 0.09 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 3cbw h TYR 225 Cb 0.69 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3cbw h TYR 225 CO 0.06 0.03 -0.43 0.45 -1.64 0.00 0.00 178.16 176.63 3cbw h HIS 226 N 0.22 0.68 -0.02 -3.82 3.86 -0.72 0.29 115.15 115.64 3cbw h HIS 226 Ca 0.18 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3cbw h HIS 226 Cb 0.21 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3cbw h HIS 226 CO -0.19 0.90 0.01 -0.92 0.86 0.00 0.00 177.93 178.59 3cbw h TYR 227 N 0.46 0.03 -0.22 2.45 3.20 -0.73 0.29 116.97 122.45 3cbw h TYR 227 Ca 0.04 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3cbw h TYR 227 Cb 0.93 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 3cbw h TYR 227 CO 0.04 0.13 -0.22 0.52 -1.64 0.00 0.00 178.16 176.99 3cbw h MET 228 N -0.09 0.53 0.04 1.82 2.86 -1.02 -0.60 114.93 118.47 3cbw h MET 228 Ca 0.01 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 3cbw h MET 228 Cb 0.12 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3cbw h MET 228 CO -0.00 0.87 -0.28 1.15 1.06 0.00 0.00 176.91 179.71 3cbw h THR 229 N 0.22 1.68 0.00 2.22 2.02 -0.96 -0.42 112.91 117.66 3cbw h THR 229 Ca 0.03 -2.39 -0.09 0.00 0.77 0.00 0.00 66.41 64.74 3cbw h THR 229 Cb 0.77 3.29 -0.01 0.00 -1.74 0.00 0.00 68.15 70.46 3cbw h THR 229 CO 0.05 0.62 -1.00 0.47 0.37 0.00 0.00 175.52 176.04 3cbw n ASP 230 N -4.47 1.87 -0.34 4.18 8.00 0.02 -2.12 116.55 123.68 3cbw n ASP 230 Ca -0.12 0.48 -0.01 0.00 0.71 0.00 0.00 54.79 55.84 3cbw n ASP 230 Cb 0.58 -0.84 0.12 0.00 -0.02 0.00 0.00 41.12 40.96 3cbw n ASP 230 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3cbw h THR 231 N -1.00 1.18 -0.01 -3.53 2.02 -1.21 -3.18 112.91 107.18 3cbw h THR 231 Ca -0.13 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3cbw h THR 231 Cb 0.90 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3cbw h THR 231 CO -0.08 0.22 -0.28 0.54 0.37 0.00 0.00 175.52 176.29 3cbw n ARG 232 N -4.48 1.81 -2.35 6.66 5.12 -0.25 -5.00 116.66 118.18 3cbw n ARG 232 Ca 0.12 -0.74 -0.19 0.00 -1.93 0.00 0.00 57.85 55.10 3cbw n ARG 232 Cb 0.07 -1.20 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 3cbw n ARG 232 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cbw n GLY 233 N 1.04 -0.37 3.59 -0.13 0.00 -0.90 -4.92 105.19 103.51 3cbw n GLY 233 Ca 0.06 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3cbw n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cbw s LEU 234 N -5.51 3.57 -0.08 0.99 1.43 -0.19 -4.87 118.68 114.02 3cbw s LEU 234 Ca 0.00 0.35 0.14 0.00 -1.03 0.00 0.00 54.13 53.59 3cbw s LEU 234 Cb 0.00 -3.42 0.47 0.00 0.03 0.00 0.00 46.19 43.27 3cbw s LEU 234 CO 0.00 -1.34 1.39 0.47 0.23 0.00 0.00 176.35 177.11 3cbw n ASP 235 N 8.06 3.64 -0.17 2.29 8.00 -1.26 -4.35 116.55 132.76 3cbw n ASP 235 Ca 0.11 -2.40 0.03 0.00 0.71 0.00 0.00 54.79 53.24 3cbw n ASP 235 Cb 0.49 -0.41 0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3cbw n ASP 235 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cbw n HIS 236 N 0.38 0.13 -3.76 1.24 1.44 -1.26 -0.67 115.22 112.72 3cbw n HIS 236 Ca 0.18 -0.60 -0.36 0.00 -2.01 0.00 0.00 57.72 54.93 3cbw n HIS 236 Cb 0.67 -0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.64 3cbw n HIS 236 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3cbw s LEU 237 N -1.39 4.32 -0.23 2.39 1.43 -1.26 -1.13 118.68 122.81 3cbw s LEU 237 Ca 0.11 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 3cbw s LEU 237 Cb 0.08 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3cbw s LEU 237 CO 0.04 0.29 -0.03 -0.63 0.23 0.00 0.00 176.35 176.25 3cbw s ILE 238 N -0.39 3.46 -0.18 -0.59 1.01 -0.03 -4.88 121.20 119.60 3cbw s ILE 238 Ca 0.13 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 3cbw s ILE 238 Cb -0.12 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3cbw s ILE 238 CO 0.03 0.38 0.57 0.26 0.00 0.00 0.00 174.94 176.17 3cbw s TRP 239 N 1.48 3.41 -0.14 3.97 0.52 -1.26 -0.26 118.94 126.66 3cbw s TRP 239 Ca 0.05 0.88 0.01 0.00 0.02 0.00 0.00 56.10 57.06 3cbw s TRP 239 Cb -0.15 -2.71 -0.00 0.00 -1.15 0.00 0.00 33.47 29.46 3cbw s TRP 239 CO -0.02 -0.08 -0.17 0.08 0.02 0.00 0.00 176.95 176.78 3cbw s VAL 240 N 1.54 2.62 -0.24 4.03 1.01 -0.01 -0.38 120.40 128.96 3cbw s VAL 240 Ca 0.27 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3cbw s VAL 240 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3cbw s VAL 240 CO 0.11 0.53 0.06 -0.47 0.00 0.00 0.00 175.10 175.32 3cbw s TYR 241 N 0.61 3.07 -0.48 5.22 5.04 -0.22 -4.17 117.35 126.42 3cbw s TYR 241 Ca -0.09 -0.48 0.05 0.00 -2.44 0.00 0.00 57.07 54.11 3cbw s TYR 241 Cb -0.16 -2.22 0.19 0.00 0.35 0.00 0.00 41.96 40.12 3cbw s TYR 241 CO 0.03 -0.38 0.42 0.43 -1.34 0.00 0.00 175.55 174.72 3cbw n SER 242 N 4.89 0.56 -4.70 4.32 7.64 -1.26 -1.08 113.62 124.00 3cbw n SER 242 Ca -0.16 -2.65 -0.31 0.00 1.01 0.00 0.00 58.87 56.76 3cbw n SER 242 Cb 0.51 -0.61 0.15 0.00 -1.01 0.00 0.00 64.21 63.25 3cbw n SER 242 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3cbw s PRO 243 N -0.59 1.31 0.17 1.43 0.04 -1.20 -0.33 135.00 135.83 3cbw s PRO 243 Ca 0.32 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3cbw s PRO 243 Cb 0.05 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 3cbw s PRO 243 CO -0.17 -2.35 0.98 0.34 0.04 0.00 0.00 177.00 175.84 3cbw s ASP 244 N -2.96 7.51 0.52 6.66 2.15 -1.26 -1.39 116.67 127.90 3cbw s ASP 244 Ca 0.65 1.91 0.30 0.00 0.43 0.00 0.00 52.55 55.84 3cbw s ASP 244 Cb -0.21 -2.60 1.36 0.00 -0.30 0.00 0.00 42.92 41.18 3cbw s ASP 244 CO 0.58 -0.01 2.00 0.00 -0.17 0.00 0.00 175.17 177.57 3cbw h ALA 245 N 4.93 1.09 -0.59 3.66 0.00 -1.23 -3.19 119.26 123.93 3cbw h ALA 245 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3cbw h ALA 245 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3cbw h ALA 245 CO 0.70 0.13 0.00 0.09 0.00 0.00 0.00 179.25 180.18 3cbw n ASN 246 N -3.35 5.57 -4.14 0.00 3.02 -1.26 -4.36 115.26 110.75 3cbw n ASN 246 Ca -0.01 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.60 3cbw n ASN 246 Cb 0.30 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 3cbw n ASN 246 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3cbw s ARG 247 N -2.59 0.75 1.14 3.52 1.81 -1.21 -5.07 118.95 117.30 3cbw s ARG 247 Ca 0.54 -1.25 -0.18 0.00 -1.72 0.00 0.00 55.73 53.12 3cbw s ARG 247 Cb 0.40 -0.12 0.26 0.00 -0.45 0.00 0.00 34.95 35.04 3cbw s ARG 247 CO 0.18 -0.03 1.16 -0.51 -0.68 0.00 0.00 175.30 175.41 3cbw s ASP 248 N -2.86 1.50 -0.65 0.23 1.01 -1.26 -4.57 116.67 110.07 3cbw s ASP 248 Ca 0.08 0.58 -0.03 0.00 0.71 0.00 0.00 52.55 53.89 3cbw s ASP 248 Cb 0.04 -0.80 0.00 0.00 1.01 0.00 0.00 42.92 43.18 3cbw s ASP 248 CO -0.05 -3.76 0.46 0.49 0.21 0.00 0.00 175.17 172.51 3cbw n PHE 249 N -4.51 -1.18 0.03 4.23 3.72 -1.26 -4.82 117.46 113.66 3cbw n PHE 249 Ca 0.13 0.39 0.03 0.00 -0.05 0.00 0.00 57.45 57.95 3cbw n PHE 249 Cb 0.59 -2.77 0.39 0.00 -0.94 0.00 0.00 39.48 36.75 3cbw n PHE 249 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3cbw h LYS 250 N -1.04 0.47 0.00 -1.08 6.56 -1.92 -3.00 116.57 116.57 3cbw h LYS 250 Ca -0.25 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 3cbw h LYS 250 Cb 1.17 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 3cbw h LYS 250 CO 0.26 0.41 -1.24 0.25 -2.06 0.00 0.00 179.45 177.07 3cbw n THR 251 N -4.39 0.00 0.10 -0.16 -2.24 -1.26 -4.49 114.28 101.84 3cbw n THR 251 Ca 0.02 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.66 3cbw n THR 251 Cb 0.15 0.69 0.47 0.00 -2.10 0.00 0.00 70.33 69.53 3cbw n THR 251 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3cbw h ASP 252 N 0.00 0.29 0.00 3.42 3.32 -1.93 -2.20 116.42 119.32 3cbw h ASP 252 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3cbw h ASP 252 Cb 0.60 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3cbw h ASP 252 CO 0.00 0.27 -0.00 0.49 -1.72 0.00 0.00 179.24 178.28 3cbw n PHE 253 N -4.43 0.00 -1.90 4.55 3.72 -1.26 -4.90 117.46 113.23 3cbw n PHE 253 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3cbw n PHE 253 Cb 0.13 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3cbw n PHE 253 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3cbw s TYR 254 N -2.01 1.81 -0.58 1.38 5.04 -0.83 -4.66 117.35 117.49 3cbw s TYR 254 Ca 0.41 0.01 0.25 0.00 -2.44 0.00 0.00 57.07 55.30 3cbw s TYR 254 Cb 0.21 -4.02 0.88 0.00 0.35 0.00 0.00 41.96 39.39 3cbw s TYR 254 CO 0.35 -4.37 1.75 -1.00 -1.34 0.00 0.00 175.55 170.95 3cbw h PRO 255 N 9.75 0.00 0.00 4.97 0.13 -1.91 -3.49 132.00 141.46 3cbw h PRO 255 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3cbw h PRO 255 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3cbw h PRO 255 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 3cbw n GLY 256 N 0.72 3.80 0.28 1.56 0.00 -1.26 -4.89 105.19 105.40 3cbw n GLY 256 Ca 0.04 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.46 3cbw n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cbw h ALA 257 N 0.00 1.26 -0.00 4.61 0.00 -1.94 -2.20 119.26 120.99 3cbw h ALA 257 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cbw h ALA 257 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cbw h ALA 257 CO 0.00 0.10 -0.01 -1.13 0.00 0.00 0.00 179.25 178.20 3cbw n SER 258 N -3.56 0.32 0.00 0.00 3.41 -1.26 -3.86 113.62 108.66 3cbw n SER 258 Ca -0.02 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3cbw n SER 258 Cb 0.20 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3cbw n SER 258 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3cbw n TYR 259 N -0.83 0.00 -3.97 7.33 4.01 -0.83 -4.77 117.16 118.10 3cbw n TYR 259 Ca 0.21 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.76 3cbw n TYR 259 Cb 0.19 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 3cbw n TYR 259 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3cbw s VAL 260 N -0.01 0.28 -0.18 -0.72 1.01 -1.22 -4.85 120.40 114.72 3cbw s VAL 260 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3cbw s VAL 260 Cb 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 36.38 35.79 3cbw s VAL 260 CO 0.00 0.18 0.11 0.47 0.00 0.00 0.00 175.10 175.86 3cbw n ASP 261 N 4.24 2.03 -3.97 3.32 8.00 0.49 -4.83 116.55 125.83 3cbw n ASP 261 Ca -0.23 0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.13 3cbw n ASP 261 Cb 0.50 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.81 3cbw n ASP 261 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cbw s ILE 262 N -2.54 0.66 0.18 0.53 1.01 -0.51 -4.11 121.20 116.42 3cbw s ILE 262 Ca -0.27 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.14 3cbw s ILE 262 Cb 0.08 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3cbw s ILE 262 CO 0.70 0.22 0.12 0.68 0.00 0.00 0.00 174.94 176.66 3cbw s VAL 263 N 0.27 4.35 0.09 2.92 -7.23 -0.21 -1.06 120.40 119.53 3cbw s VAL 263 Ca -0.04 -1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 3cbw s VAL 263 Cb -0.08 -3.24 0.09 0.00 0.56 0.00 0.00 36.38 33.71 3cbw s VAL 263 CO 0.00 -0.15 1.14 -0.83 -0.31 0.00 0.00 175.10 174.96 3cbw s GLY 264 N -3.19 -0.08 -0.08 2.32 0.00 -0.24 -1.20 107.32 104.85 3cbw s GLY 264 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 45.05 3cbw s GLY 264 CO 0.23 2.75 -0.22 1.08 0.00 0.00 0.00 173.10 176.94 3cbw s LEU 265 N -3.41 2.23 -0.36 0.66 1.43 -0.65 -3.28 118.68 115.31 3cbw s LEU 265 Ca 0.22 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 3cbw s LEU 265 Cb -0.01 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3cbw s LEU 265 CO 0.02 0.21 0.88 -1.81 0.23 0.00 0.00 176.35 175.88 3cbw s ASP 266 N 0.04 6.66 -0.22 2.29 1.11 -0.48 -1.03 116.67 125.04 3cbw s ASP 266 Ca -0.09 0.56 -0.01 0.00 0.18 0.00 0.00 52.55 53.19 3cbw s ASP 266 Cb -0.15 -2.44 0.06 0.00 1.07 0.00 0.00 42.92 41.45 3cbw s ASP 266 CO 0.06 -0.80 -0.02 0.00 1.18 0.00 0.00 175.17 175.59 3cbw s ALA 267 N 3.32 1.55 -0.19 5.23 0.00 -0.14 -0.76 121.76 130.77 3cbw s ALA 267 Ca 0.36 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3cbw s ALA 267 Cb -0.13 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 3cbw s ALA 267 CO 0.17 -1.18 -0.11 0.71 0.00 0.00 0.00 175.76 175.35 3cbw s TYR 268 N 1.59 2.86 0.20 0.00 2.02 -1.26 -2.43 117.35 120.33 3cbw s TYR 268 Ca -0.04 -1.11 -0.19 0.00 -0.37 0.00 0.00 57.07 55.37 3cbw s TYR 268 Cb -0.18 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3cbw s TYR 268 CO -0.07 -0.56 0.57 -0.59 -1.57 0.00 0.00 175.55 173.33 3cbw s PHE 269 N 1.17 -0.23 -0.21 2.71 -0.12 -0.89 -4.58 117.98 115.83 3cbw s PHE 269 Ca 0.01 -0.10 0.12 0.00 -0.05 0.00 0.00 56.93 56.91 3cbw s PHE 269 Cb -0.14 0.48 -0.21 0.00 -0.63 0.00 0.00 43.02 42.51 3cbw s PHE 269 CO -0.04 -0.94 -0.03 0.94 -0.05 0.00 0.00 175.22 175.09 3cbw n GLN 270 N -0.36 0.79 -3.51 1.99 -0.06 -1.26 -2.21 117.38 112.76 3cbw n GLN 270 Ca -0.11 0.04 -0.42 0.00 -2.00 0.00 0.00 57.00 54.51 3cbw n GLN 270 Cb 0.63 -1.49 -0.09 0.00 -4.06 0.00 0.00 30.24 25.23 3cbw n GLN 270 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3cbw s ASP 271 N -5.70 5.86 0.49 1.69 -1.08 -1.26 -4.90 116.67 111.77 3cbw s ASP 271 Ca -0.18 -1.38 0.33 0.00 -0.52 0.00 0.00 52.55 50.80 3cbw s ASP 271 Cb 0.07 -2.07 1.60 0.00 -1.46 0.00 0.00 42.92 41.05 3cbw s ASP 271 CO 0.70 -0.57 2.00 0.00 0.52 0.00 0.00 175.17 177.82 3cbw h ALA 272 N 8.55 1.00 -0.01 3.66 0.00 -1.90 -3.08 119.26 127.48 3cbw h ALA 272 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cbw h ALA 272 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3cbw h ALA 272 CO 0.80 0.00 -0.64 0.66 0.00 0.00 0.00 179.25 180.07 3cbw n TYR 273 N -2.77 0.00 -0.71 0.00 4.01 -1.26 -4.21 117.16 112.22 3cbw n TYR 273 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.81 3cbw n TYR 273 Cb 0.16 -0.05 0.24 0.00 -0.31 0.00 0.00 39.34 39.38 3cbw n TYR 273 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3cbw n SER 274 N -0.82 3.72 -4.70 7.72 7.64 -1.16 -5.00 113.62 121.02 3cbw n SER 274 Ca 0.07 -2.66 -0.42 0.00 1.01 0.00 0.00 58.87 56.87 3cbw n SER 274 Cb 0.39 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 3cbw n SER 274 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3cbw s ILE 275 N -2.19 3.60 -0.02 0.44 1.01 -1.26 -4.99 121.20 117.79 3cbw s ILE 275 Ca 0.37 1.05 -0.17 0.00 0.00 0.00 0.00 60.65 61.91 3cbw s ILE 275 Cb 0.27 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3cbw s ILE 275 CO 0.12 0.02 0.45 0.21 0.00 0.00 0.00 174.94 175.75 3cbw s ASN 276 N 1.66 6.81 0.00 3.58 3.84 -1.26 -4.59 114.94 124.98 3cbw s ASN 276 Ca 0.64 0.97 0.00 0.00 0.21 0.00 0.00 52.86 54.68 3cbw s ASN 276 Cb -0.33 -2.28 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 3cbw s ASN 276 CO 0.28 0.22 0.00 0.61 -2.79 0.00 0.00 177.10 175.42 3cbw n GLY 277 N 2.24 1.41 0.15 1.21 0.00 -1.26 -4.70 105.19 104.25 3cbw n GLY 277 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3cbw n GLY 277 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cbw h TYR 278 N 0.00 0.43 -0.12 1.61 3.20 -1.99 -1.28 116.97 118.82 3cbw h TYR 278 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3cbw h TYR 278 Cb 0.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3cbw h TYR 278 CO 0.00 0.32 0.07 -0.44 -1.64 0.00 0.00 178.16 176.48 3cbw h ASP 279 N 0.41 0.15 -0.74 -2.11 3.32 -1.95 -0.77 116.42 114.73 3cbw h ASP 279 Ca 0.11 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3cbw h ASP 279 Cb 0.03 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3cbw h ASP 279 CO -0.02 0.16 0.46 1.56 -1.72 0.00 0.00 179.24 179.68 3cbw h GLN 280 N 0.13 0.87 0.15 3.56 7.50 -1.97 -2.26 115.11 123.09 3cbw h GLN 280 Ca 0.04 -0.05 -0.23 0.00 0.50 0.00 0.00 58.65 58.91 3cbw h GLN 280 Cb 0.04 -0.20 0.03 0.00 0.05 0.00 0.00 27.48 27.40 3cbw h GLN 280 CO -0.01 0.57 -1.01 -0.07 -1.50 0.00 0.00 178.83 176.82 3cbw h LEU 281 N 0.89 0.62 -2.00 1.46 3.38 -1.10 -3.21 115.31 115.35 3cbw h LEU 281 Ca 0.30 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3cbw h LEU 281 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cbw h LEU 281 CO -0.12 1.48 -0.07 0.71 0.09 0.00 0.00 178.44 180.53 3cbw h THR 282 N -0.13 0.85 0.00 0.22 1.35 -1.15 -1.48 112.91 112.57 3cbw h THR 282 Ca -0.17 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3cbw h THR 282 Cb 1.77 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3cbw h THR 282 CO 0.19 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 3cbw h ALA 283 N 1.93 1.00 0.00 6.62 0.00 -1.41 -1.82 119.26 125.59 3cbw h ALA 283 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cbw h ALA 283 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cbw h ALA 283 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3cbw n LEU 284 N -2.90 0.00 -3.55 0.00 4.77 -0.56 -4.90 117.00 109.87 3cbw n LEU 284 Ca -0.01 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 3cbw n LEU 284 Cb 0.15 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3cbw n LEU 284 CO 0.21 -0.04 0.18 -3.20 -1.33 0.00 0.00 177.39 173.21 3cbw n ASN 285 N -1.14 -4.45 -4.22 -1.43 5.15 -0.68 -5.03 115.26 103.45 3cbw n ASN 285 Ca 0.14 -0.59 -0.21 0.00 -0.60 0.00 0.00 54.58 53.32 3cbw n ASN 285 Cb 0.12 -5.00 -0.12 0.00 -0.53 0.00 0.00 39.78 34.25 3cbw n ASN 285 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cbw s LYS 286 N -5.94 0.96 0.50 1.20 -0.14 -1.26 -5.13 119.74 109.93 3cbw s LYS 286 Ca 0.34 -1.03 -0.22 0.00 -1.36 0.00 0.00 55.97 53.69 3cbw s LYS 286 Cb -0.15 -1.08 -0.08 0.00 -1.68 0.00 0.00 37.83 34.84 3cbw s LYS 286 CO 0.74 0.25 1.09 -2.30 -0.76 0.00 0.00 175.35 174.37 3cbw n PRO 287 N 1.23 1.36 -4.91 -1.68 -0.02 -1.26 -4.67 135.00 125.05 3cbw n PRO 287 Ca -0.20 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3cbw n PRO 287 Cb 0.54 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.66 3cbw n PRO 287 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3cbw s PHE 288 N -1.35 2.69 0.04 6.00 5.36 -1.26 -1.05 117.98 128.42 3cbw s PHE 288 Ca 0.68 -0.17 -0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3cbw s PHE 288 Cb -0.48 -1.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 3cbw s PHE 288 CO 0.53 0.18 -0.03 0.00 -1.46 0.00 0.00 175.22 174.43 3cbw s ALA 289 N -0.73 0.40 -0.88 11.12 0.00 -0.34 -0.54 121.76 130.79 3cbw s ALA 289 Ca 0.11 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 3cbw s ALA 289 Cb -0.11 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.34 3cbw s ALA 289 CO 0.00 -0.28 1.14 -0.06 0.00 0.00 0.00 175.76 176.56 3cbw s PHE 290 N -3.00 2.92 -0.20 0.00 0.08 -0.28 -1.64 117.98 115.86 3cbw s PHE 290 Ca -0.01 -1.10 0.28 0.00 0.12 0.00 0.00 56.93 56.23 3cbw s PHE 290 Cb 0.01 -4.35 0.92 0.00 -0.57 0.00 0.00 43.02 39.03 3cbw s PHE 290 CO -0.06 -1.60 1.81 1.79 -0.10 0.00 0.00 175.22 177.06 3cbw h THR 291 N 6.01 0.00 -3.18 0.64 1.35 -1.35 -1.44 112.91 114.94 3cbw h THR 291 Ca 0.05 -0.68 -0.16 0.00 -0.55 0.00 0.00 66.41 65.08 3cbw h THR 291 Cb 1.03 1.66 -0.24 0.00 -1.73 0.00 0.00 68.15 68.87 3cbw h THR 291 CO 1.17 0.00 -0.42 -1.61 -0.25 0.00 0.00 175.52 174.41 3cbw s GLU 292 N -3.43 0.37 -0.02 4.72 2.02 -1.20 -4.48 118.70 116.67 3cbw s GLU 292 Ca 0.04 0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 3cbw s GLU 292 Cb 0.08 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.48 3cbw s GLU 292 CO 0.58 -0.07 0.13 0.54 0.02 0.00 0.00 175.26 176.47 3cbw s VAL 293 N -0.29 0.05 -0.10 2.63 0.11 -0.06 -0.97 120.40 121.77 3cbw s VAL 293 Ca -0.04 -0.40 -0.32 0.00 -2.93 0.00 0.00 61.98 58.29 3cbw s VAL 293 Cb -0.03 -0.32 0.13 0.00 -1.53 0.00 0.00 36.38 34.63 3cbw s VAL 293 CO 0.01 -0.22 1.42 -0.83 -3.33 0.00 0.00 175.10 172.15 3cbw s GLY 294 N -0.74 -0.40 0.35 6.54 0.00 -1.02 -1.67 107.32 110.37 3cbw s GLY 294 Ca -0.08 0.68 -0.29 0.00 0.00 0.00 0.00 44.72 45.03 3cbw s GLY 294 CO 0.01 2.61 1.46 2.56 0.00 0.00 0.00 173.10 179.74 3cbw s PRO 295 N -2.01 4.17 0.16 2.90 0.04 -1.26 -2.09 135.00 136.91 3cbw s PRO 295 Ca 0.21 2.49 -0.10 0.00 0.04 0.00 0.00 61.00 63.64 3cbw s PRO 295 Cb 0.05 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.61 3cbw s PRO 295 CO -0.05 -0.47 1.58 0.37 0.04 0.00 0.00 177.00 178.47 3cbw h GLN 296 N 3.46 1.01 -4.70 4.56 4.15 -1.69 -3.42 115.11 118.47 3cbw h GLN 296 Ca -0.50 -0.38 -0.31 0.00 0.77 0.00 0.00 58.65 58.24 3cbw h GLN 296 Cb 1.23 -0.06 -0.22 0.00 0.21 0.00 0.00 27.48 28.64 3cbw h GLN 296 CO 0.67 1.06 -0.75 0.95 -1.93 0.00 0.00 178.83 178.84 3cbw s THR 297 N -4.83 0.64 -0.81 2.39 -4.23 -1.26 -4.95 115.64 102.60 3cbw s THR 297 Ca -0.12 -1.05 -0.26 0.00 -1.18 0.00 0.00 61.69 59.09 3cbw s THR 297 Cb 0.13 -0.68 0.04 0.00 1.34 0.00 0.00 72.50 73.32 3cbw s THR 297 CO 0.86 -0.30 1.32 0.00 -0.54 0.00 0.00 174.62 175.96 3cbw s ALA 298 N -1.24 2.74 0.00 3.99 0.00 -1.26 -4.72 121.76 121.27 3cbw s ALA 298 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3cbw s ALA 298 Cb -0.09 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.71 3cbw s ALA 298 CO 0.01 -3.36 0.05 0.09 0.00 0.00 0.00 175.76 172.54 3cbw n ASN 299 N 9.24 0.10 0.00 0.00 4.13 -1.26 -5.00 115.26 122.47 3cbw n ASN 299 Ca 0.10 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.94 3cbw n ASN 299 Cb 0.49 0.53 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 3cbw n ASN 299 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cbw n GLY 300 N 0.53 0.61 0.09 7.41 0.00 -1.26 -4.88 105.19 107.68 3cbw n GLY 300 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3cbw n GLY 300 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cbw n SER 301 N -0.09 0.36 -4.76 1.61 2.88 -1.26 -4.97 113.62 107.40 3cbw n SER 301 Ca 0.00 0.17 -0.41 0.00 -1.33 0.00 0.00 58.87 57.30 3cbw n SER 301 Cb 0.04 0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 64.13 3cbw n SER 301 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3cbw s PHE 302 N -2.62 2.78 -0.18 0.66 5.36 -1.26 -5.00 117.98 117.73 3cbw s PHE 302 Ca -0.08 0.94 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 3cbw s PHE 302 Cb 0.07 -3.99 0.06 0.00 -0.34 0.00 0.00 43.02 38.82 3cbw s PHE 302 CO 0.83 -3.21 0.05 0.34 -1.46 0.00 0.00 175.22 171.77 3cbw s ASP 303 N 0.29 2.62 0.58 6.13 -1.08 -1.26 -3.66 116.67 120.28 3cbw s ASP 303 Ca 0.60 -0.70 0.35 0.00 -0.52 0.00 0.00 52.55 52.28 3cbw s ASP 303 Cb -0.46 -0.46 1.70 0.00 -1.46 0.00 0.00 42.92 42.24 3cbw s ASP 303 CO 0.50 -0.31 2.12 1.88 0.52 0.00 0.00 175.17 179.88 3cbw h TYR 304 N 8.31 0.00 -0.12 -5.34 0.05 -1.24 -1.84 116.97 116.79 3cbw h TYR 304 Ca -0.16 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.55 3cbw h TYR 304 Cb 1.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 3cbw h TYR 304 CO 0.25 0.04 -0.25 0.66 -1.05 0.00 0.00 178.16 177.82 3cbw h SER 305 N 0.00 0.21 0.47 3.88 4.64 -1.74 -2.36 113.55 118.66 3cbw h SER 305 Ca -0.00 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 3cbw h SER 305 Cb 0.32 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3cbw h SER 305 CO 0.01 0.47 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.75 3cbw h LEU 306 N 0.19 0.16 -0.23 5.97 3.38 -1.71 -2.43 115.31 120.65 3cbw h LEU 306 Ca 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3cbw h LEU 306 Cb 0.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3cbw h LEU 306 CO 0.04 0.73 0.03 0.15 0.09 0.00 0.00 178.44 179.48 3cbw h PHE 307 N 0.10 0.42 -0.36 1.13 3.57 -1.35 0.30 116.94 120.75 3cbw h PHE 307 Ca -0.01 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 3cbw h PHE 307 Cb 1.11 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3cbw h PHE 307 CO 0.01 0.54 -0.10 0.97 -2.23 0.00 0.00 178.31 177.50 3cbw h ILE 308 N 0.19 1.24 -0.54 1.41 6.09 -1.46 -0.74 117.51 123.70 3cbw h ILE 308 Ca 0.07 -1.06 -0.03 0.00 -1.37 0.00 0.00 64.86 62.47 3cbw h ILE 308 Cb 0.35 1.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.70 3cbw h ILE 308 CO 0.01 0.35 0.21 -1.13 -3.07 0.00 0.00 178.15 174.52 3cbw h ASN 309 N 0.57 0.75 -0.91 2.19 -0.73 -1.27 -2.05 115.58 114.13 3cbw h ASN 309 Ca 0.10 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.10 3cbw h ASN 309 Cb 0.51 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 3cbw h ASN 309 CO 0.03 0.72 0.57 0.00 -0.37 0.00 0.00 177.43 178.39 3cbw h ALA 310 N 1.06 1.30 -0.34 1.57 0.00 -0.57 -1.12 119.26 121.16 3cbw h ALA 310 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3cbw h ALA 310 Cb 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3cbw h ALA 310 CO -0.01 0.62 0.13 0.82 0.00 0.00 0.00 179.25 180.81 3cbw h ILE 311 N 1.24 0.93 -0.83 0.00 2.04 -0.84 0.51 117.51 120.56 3cbw h ILE 311 Ca 0.33 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 3cbw h ILE 311 Cb -0.09 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3cbw h ILE 311 CO -0.07 0.05 0.40 0.11 0.00 0.00 0.00 178.15 178.65 3cbw h LYS 312 N 0.28 1.19 0.08 2.37 1.57 -0.79 -1.04 116.57 120.24 3cbw h LYS 312 Ca 0.15 -0.17 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 3cbw h LYS 312 Cb 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3cbw h LYS 312 CO -0.14 0.92 -1.60 1.96 -0.57 0.00 0.00 179.45 180.01 3cbw h GLN 313 N 1.18 0.17 0.00 3.15 4.20 -0.94 -3.42 115.11 119.45 3cbw h GLN 313 Ca 0.29 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3cbw h GLN 313 Cb 0.11 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3cbw h GLN 313 CO -0.04 0.96 -1.14 1.63 -0.67 0.00 0.00 178.83 179.58 3cbw n LYS 314 N -3.35 3.12 -2.74 1.46 4.76 0.18 -4.86 118.16 116.73 3cbw n LYS 314 Ca -0.17 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.08 3cbw n LYS 314 Cb 1.04 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 3cbw n LYS 314 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3cbw n TYR 315 N -2.15 2.03 0.28 2.13 4.01 -0.46 -4.95 117.16 118.06 3cbw n TYR 315 Ca -0.03 -3.23 0.16 0.00 -0.16 0.00 0.00 57.90 54.64 3cbw n TYR 315 Cb 0.56 -0.31 0.83 0.00 -0.31 0.00 0.00 39.34 40.11 3cbw n TYR 315 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3cbw h PRO 316 N 2.87 0.00 0.00 -0.72 0.13 -1.62 -1.83 132.00 130.83 3cbw h PRO 316 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3cbw h PRO 316 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3cbw h PRO 316 CO 0.65 0.06 0.00 1.63 -0.23 0.00 0.00 178.00 180.11 3cbw n LYS 317 N -3.35 0.41 -1.67 0.86 5.02 -1.26 -4.84 118.16 113.33 3cbw n LYS 317 Ca -0.01 0.05 -0.48 0.00 -2.02 0.00 0.00 58.31 55.85 3cbw n LYS 317 Cb 0.22 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3cbw n LYS 317 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3cbw n THR 318 N -1.24 0.21 0.12 -0.18 -1.04 -0.69 -4.21 114.28 107.25 3cbw n THR 318 Ca 0.12 -0.04 0.10 0.00 -2.04 0.00 0.00 64.05 62.20 3cbw n THR 318 Cb 0.18 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 66.94 3cbw n THR 318 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3cbw n ILE 319 N 3.99 0.00 -3.46 12.58 -5.35 0.30 -4.56 119.36 122.86 3cbw n ILE 319 Ca 0.19 -0.41 -0.11 0.00 -0.27 0.00 0.00 62.75 62.15 3cbw n ILE 319 Cb 0.28 0.16 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 3cbw n ILE 319 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 3cbw s TYR 320 N -3.37 -0.48 0.11 4.28 -0.85 -1.26 -0.80 117.35 114.98 3cbw s TYR 320 Ca -0.05 0.27 0.07 0.00 -0.52 0.00 0.00 57.07 56.83 3cbw s TYR 320 Cb 0.14 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 3cbw s TYR 320 CO 0.86 -0.81 -0.16 -0.59 -1.52 0.00 0.00 175.55 173.33 3cbw s PHE 321 N -3.62 1.51 -0.31 -3.49 -0.12 -0.37 -1.12 117.98 110.45 3cbw s PHE 321 Ca 0.02 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.41 3cbw s PHE 321 Cb -0.01 -0.80 0.10 0.00 -0.63 0.00 0.00 43.02 41.67 3cbw s PHE 321 CO -0.11 0.17 0.09 -1.17 -0.05 0.00 0.00 175.22 174.15 3cbw s LEU 322 N -2.22 2.63 0.32 -1.99 2.96 -0.54 -1.28 118.68 118.57 3cbw s LEU 322 Ca 0.07 -1.70 -0.27 0.00 -0.22 0.00 0.00 54.13 52.01 3cbw s LEU 322 Cb -0.07 -0.99 -0.09 0.00 0.50 0.00 0.00 46.19 45.54 3cbw s LEU 322 CO 0.04 -0.41 1.00 0.00 -1.32 0.00 0.00 176.35 175.66 3cbw s ALA 323 N 1.50 3.23 1.03 5.97 0.00 -0.49 -0.88 121.76 132.12 3cbw s ALA 323 Ca 0.10 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 3cbw s ALA 323 Cb -0.18 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 19.92 3cbw s ALA 323 CO -0.22 0.01 1.19 -0.46 0.00 0.00 0.00 175.76 176.28 3cbw s TRP 324 N -1.48 1.50 0.00 0.00 -0.11 -0.67 -1.09 118.94 117.08 3cbw s TRP 324 Ca 0.50 0.56 0.00 0.00 1.22 0.00 0.00 56.10 58.38 3cbw s TRP 324 Cb -0.23 -3.64 0.00 0.00 -1.50 0.00 0.00 33.47 28.10 3cbw s TRP 324 CO 0.29 -3.00 0.00 0.27 -4.62 0.00 0.00 176.95 169.89 3cbw n ASN 325 N -4.13 0.00 0.00 5.86 6.94 -1.26 -3.02 115.26 119.66 3cbw n ASN 325 Ca 0.12 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 3cbw n ASN 325 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3cbw n ASN 325 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3cbw n ASP 326 N -0.12 0.00 0.15 0.53 8.00 -1.26 -1.62 116.55 122.22 3cbw n ASP 326 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 3cbw n ASP 326 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.63 3cbw n ASP 326 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3cbw h GLU 327 N 0.00 0.00 -0.00 -1.24 9.09 -2.00 -1.87 114.58 118.55 3cbw h GLU 327 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3cbw h GLU 327 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3cbw h GLU 327 CO 0.00 0.00 -0.26 0.91 0.05 0.00 0.00 179.01 179.71 3cbw n TRP 328 N -2.32 0.00 -1.81 2.06 8.01 -0.64 -4.86 117.44 117.88 3cbw n TRP 328 Ca 0.02 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.80 3cbw n TRP 328 Cb 0.21 -0.34 0.01 0.00 -2.01 0.00 0.00 31.31 29.19 3cbw n TRP 328 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3cbw s SER 329 N -2.93 6.11 0.37 -0.99 0.15 -0.71 -4.43 113.70 111.28 3cbw s SER 329 Ca 0.15 2.98 0.08 0.00 0.70 0.00 0.00 55.95 59.86 3cbw s SER 329 Cb 0.18 -2.66 0.81 0.00 -1.71 0.00 0.00 66.02 62.65 3cbw s SER 329 CO 0.60 -1.02 1.92 0.00 1.20 0.00 0.00 173.24 175.94 3cbw h ALA 330 N 2.66 1.81 -0.05 5.45 0.00 -1.91 -2.77 119.26 124.46 3cbw h ALA 330 Ca -0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3cbw h ALA 330 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3cbw h ALA 330 CO 0.63 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 3cbw h ALA 331 N 1.61 1.85 -0.20 0.00 0.00 -1.90 -2.85 119.26 117.77 3cbw h ALA 331 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3cbw h ALA 331 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3cbw h ALA 331 CO -0.14 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.55 3cbw n VAL 332 N -4.46 0.44 -4.26 0.00 0.24 -1.06 -4.97 118.33 104.27 3cbw n VAL 332 Ca -0.02 -0.72 -0.24 0.00 -2.04 0.00 0.00 64.34 61.32 3cbw n VAL 332 Cb 0.14 0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 3cbw n VAL 332 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3cbw s ASN 333 N -1.07 4.62 0.61 -1.34 0.01 -1.07 -5.02 114.94 111.68 3cbw s ASN 333 Ca 0.21 -0.56 -0.17 0.00 -0.71 0.00 0.00 52.86 51.63 3cbw s ASN 333 Cb 0.13 -0.90 -0.03 0.00 0.41 0.00 0.00 41.25 40.86 3cbw s ASN 333 CO 0.18 0.03 1.15 -1.59 -1.51 0.00 0.00 177.10 175.36 3cbw s LYS 334 N -3.41 2.97 0.00 -0.60 -2.85 -1.24 -3.63 119.74 110.98 3cbw s LYS 334 Ca 0.30 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 56.88 3cbw s LYS 334 Cb -0.07 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3cbw s LYS 334 CO 0.19 -1.16 0.00 0.41 0.10 0.00 0.00 175.35 174.90 3cbw n GLY 335 N 0.06 0.58 0.18 0.59 0.00 -1.26 -0.84 105.19 104.50 3cbw n GLY 335 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3cbw n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cbw h ALA 336 N 0.00 0.51 -0.42 4.61 0.00 -1.77 0.13 119.26 122.33 3cbw h ALA 336 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3cbw h ALA 336 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3cbw h ALA 336 CO 0.00 -0.24 0.11 1.03 0.00 0.00 0.00 179.25 180.15 3cbw h SER 337 N 0.32 0.63 -0.73 0.00 0.87 -1.92 -0.94 113.55 111.78 3cbw h SER 337 Ca 0.20 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3cbw h SER 337 Cb 0.19 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3cbw h SER 337 CO -0.21 0.70 0.28 0.00 -0.53 0.00 0.00 176.83 177.07 3cbw h ALA 338 N 0.96 1.10 0.02 6.23 0.00 -1.89 0.11 119.26 125.79 3cbw h ALA 338 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cbw h ALA 338 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3cbw h ALA 338 CO 0.00 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.13 3cbw h LEU 339 N 1.08 -0.02 -0.34 0.00 5.85 -0.75 -1.69 115.31 119.43 3cbw h LEU 339 Ca 0.25 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3cbw h LEU 339 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3cbw h LEU 339 CO -0.02 0.03 -0.29 1.88 -0.34 0.00 0.00 178.44 179.70 3cbw h TYR 340 N -0.07 0.00 -0.02 1.25 -1.99 -0.90 -3.20 116.97 112.03 3cbw h TYR 340 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3cbw h TYR 340 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3cbw h TYR 340 CO -0.06 0.29 -0.17 0.72 -0.00 0.00 0.00 178.16 178.94 3cbw n HIS 341 N -3.23 0.00 -1.72 4.88 8.25 0.35 -4.85 115.22 118.89 3cbw n HIS 341 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3cbw n HIS 341 Cb 0.59 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.72 3cbw n HIS 341 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3cbw n ASP 342 N 0.79 2.83 0.24 0.41 -0.08 -0.64 -4.86 116.55 115.24 3cbw n ASP 342 Ca 0.12 1.11 0.14 0.00 -1.51 0.00 0.00 54.79 54.66 3cbw n ASP 342 Cb 0.53 -1.54 0.81 0.00 2.34 0.00 0.00 41.12 43.26 3cbw n ASP 342 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3cbw h SER 343 N 2.17 0.00 1.39 1.67 4.64 -1.92 -1.46 113.55 120.04 3cbw h SER 343 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 3cbw h SER 343 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3cbw h SER 343 CO 0.60 0.00 -0.19 -0.50 -0.87 0.00 0.00 176.83 175.87 3cbw h TRP 344 N 0.00 0.00 -3.36 4.77 4.06 -1.89 0.12 115.95 119.65 3cbw h TRP 344 Ca 0.05 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.44 3cbw h TRP 344 Cb 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 3cbw h TRP 344 CO 0.00 0.19 0.31 0.99 -3.56 0.00 0.00 178.44 176.37 3cbw s THR 345 N -3.35 4.92 -0.23 1.49 2.01 -0.55 -0.14 115.64 119.78 3cbw s THR 345 Ca 0.03 1.78 -0.07 0.00 0.31 0.00 0.00 61.69 63.74 3cbw s THR 345 Cb 0.08 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 3cbw s THR 345 CO 0.66 0.15 0.05 -0.22 -0.69 0.00 0.00 174.62 174.56 3cbw s LEU 346 N 1.28 3.38 0.47 4.42 0.20 0.67 -4.64 118.68 124.46 3cbw s LEU 346 Ca 0.44 -0.20 0.07 0.00 0.69 0.00 0.00 54.13 55.13 3cbw s LEU 346 Cb -0.19 -1.89 -0.00 0.00 -0.43 0.00 0.00 46.19 43.68 3cbw s LEU 346 CO 0.21 0.00 0.36 0.20 -0.29 0.00 0.00 176.35 176.83 3cbw s ASN 347 N 1.39 4.77 0.18 3.68 0.01 -1.26 -1.43 114.94 122.28 3cbw s ASN 347 Ca 0.05 -1.00 -0.33 0.00 -0.71 0.00 0.00 52.86 50.87 3cbw s ASN 347 Cb -0.15 -0.16 -0.15 0.00 0.41 0.00 0.00 41.25 41.21 3cbw s ASN 347 CO 0.03 -0.82 1.30 1.17 -1.51 0.00 0.00 177.10 177.26 3cbw n LYS 348 N -1.59 1.50 -0.14 -0.60 4.81 -0.42 -1.58 118.16 120.15 3cbw n LYS 348 Ca 0.01 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3cbw n LYS 348 Cb 0.63 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3cbw n LYS 348 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cbw n GLY 349 N 2.27 0.68 0.81 3.14 0.00 -0.30 -4.77 105.19 107.01 3cbw n GLY 349 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3cbw n GLY 349 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cbw n GLU 350 N -2.00 2.95 -0.07 1.61 1.02 -0.61 -4.50 120.64 119.04 3cbw n GLU 350 Ca 0.00 -2.33 -0.10 0.00 -0.02 0.00 0.00 57.16 54.71 3cbw n GLU 350 Cb 0.00 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.89 3cbw n GLU 350 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3cbw h ILE 351 N 2.23 0.66 -2.78 -3.67 2.04 -1.77 -3.46 117.51 110.76 3cbw h ILE 351 Ca 0.00 -1.61 -0.65 0.00 1.00 0.00 0.00 64.86 63.60 3cbw h ILE 351 Cb 0.97 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3cbw h ILE 351 CO 0.07 0.22 -0.50 0.26 0.00 0.00 0.00 178.15 178.21 3cbw s TRP 352 N -2.08 3.54 -0.83 1.37 0.52 -1.26 -1.99 118.94 118.21 3cbw s TRP 352 Ca -0.15 0.40 -0.08 0.00 0.02 0.00 0.00 56.10 56.29 3cbw s TRP 352 Cb 0.01 -1.86 0.21 0.00 -1.15 0.00 0.00 33.47 30.69 3cbw s TRP 352 CO 0.36 0.67 0.73 1.21 0.02 0.00 0.00 176.95 179.94 3cbw s ASN 353 N -1.63 6.29 1.93 2.95 2.47 0.13 -4.83 114.94 122.25 3cbw s ASN 353 Ca 0.23 -3.05 0.00 0.00 0.42 0.00 0.00 52.86 50.46 3cbw s ASN 353 Cb -0.12 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 3cbw s ASN 353 CO 0.14 -0.41 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 3cbw n GLY 354 N 3.37 3.18 0.67 1.21 0.00 -1.26 -1.62 105.19 110.73 3cbw n GLY 354 Ca 0.15 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.54 3cbw n GLY 354 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cbw n ASP 355 N 9.90 2.01 -4.50 1.61 5.68 -1.26 -4.87 116.55 125.11 3cbw n ASP 355 Ca 0.00 -1.76 -0.25 0.00 -0.50 0.00 0.00 54.79 52.28 3cbw n ASP 355 Cb 0.00 -0.12 -0.10 0.00 -1.14 0.00 0.00 41.12 39.76 3cbw n ASP 355 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3cbw s SER 356 N -1.59 3.79 0.14 -1.12 1.04 -0.64 -5.12 113.70 110.19 3cbw s SER 356 Ca 0.33 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 3cbw s SER 356 Cb 0.19 -0.43 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 3cbw s SER 356 CO 0.28 0.07 0.69 -0.22 0.98 0.00 0.00 173.24 175.03 3cbw s LEU 357 N -3.18 4.52 0.71 2.42 2.96 -1.26 0.21 118.68 125.05 3cbw s LEU 357 Ca 0.27 1.45 -0.14 0.00 -0.22 0.00 0.00 54.13 55.49 3cbw s LEU 357 Cb -0.07 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.44 3cbw s LEU 357 CO 0.14 0.20 1.15 0.42 -1.32 0.00 0.00 176.35 176.94 3cbw s THR 358 N -1.22 2.76 0.33 3.68 -4.23 -0.84 -4.73 115.64 111.38 3cbw s THR 358 Ca 0.35 0.35 -0.28 0.00 -1.18 0.00 0.00 61.69 60.92 3cbw s THR 358 Cb -0.20 -2.85 -0.12 0.00 1.34 0.00 0.00 72.50 70.66 3cbw s THR 358 CO 0.23 -0.22 1.29 -2.65 -0.54 0.00 0.00 174.62 172.72 3cbw n PRO 359 N -2.72 2.09 -3.33 3.99 -0.02 -1.26 -4.98 135.00 128.76 3cbw n PRO 359 Ca 0.12 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3cbw n PRO 359 Cb 0.51 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 3cbw n PRO 359 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cbw s ILE 360 N -0.97 5.10 -0.14 4.25 1.01 -1.26 -4.99 121.20 124.20 3cbw s ILE 360 Ca 0.57 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 3cbw s ILE 360 Cb -0.58 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3cbw s ILE 360 CO 0.61 -0.34 0.28 -0.69 0.00 0.00 0.00 174.94 174.80 3cbw s VAL 361 N 2.14 5.30 -2.49 2.92 1.01 -1.26 -5.15 120.40 122.87 3cbw s VAL 361 Ca 0.13 0.52 0.28 0.00 0.00 0.00 0.00 61.98 62.91 3cbw s VAL 361 Cb -0.17 -3.61 0.56 0.00 0.00 0.00 0.00 36.38 33.16 3cbw s VAL 361 CO 0.13 0.43 1.76 -0.62 0.00 0.00 0.00 175.10 176.80