#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cbw s VAL 29 N 0.00 3.28 -0.03 12.58 1.01 -1.26 -5.11 120.40 130.87 3cbw s VAL 29 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3cbw s VAL 29 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3cbw s VAL 29 CO 0.00 0.45 0.01 -0.55 0.00 0.00 0.00 175.10 175.01 3cbw s SER 30 N 1.23 5.19 0.52 3.32 0.15 -1.26 -3.27 113.70 119.57 3cbw s SER 30 Ca 0.03 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.52 3cbw s SER 30 Cb -0.14 -1.40 -0.08 0.00 -1.71 0.00 0.00 66.02 62.69 3cbw s SER 30 CO -0.02 0.31 0.93 -2.65 1.20 0.00 0.00 173.24 173.01 3cbw n PRO 31 N 1.65 1.05 0.22 5.44 -0.02 -1.26 -4.87 135.00 137.21 3cbw n PRO 31 Ca -0.16 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 61.78 3cbw n PRO 31 Cb 0.53 -2.06 0.56 0.00 -0.02 0.00 0.00 33.50 32.51 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 0.90 1.06 -3.25 -1.45 -1.51 -1.88 -3.38 116.25 106.74 3cbw h VAL 32 Ca -0.47 -0.28 -0.56 0.00 -1.23 0.00 0.00 66.70 64.17 3cbw h VAL 32 Cb 1.36 1.10 -0.06 0.00 -2.13 0.00 0.00 31.29 31.56 3cbw h VAL 32 CO 0.53 0.08 1.05 0.21 -1.23 0.00 0.00 177.57 178.21 3cbw s ASN 33 N -7.01 6.34 0.40 4.19 2.47 -1.26 -4.89 114.94 115.17 3cbw s ASN 33 Ca -0.05 0.61 0.29 0.00 0.42 0.00 0.00 52.86 54.13 3cbw s ASN 33 Cb 0.16 -2.54 1.27 0.00 -1.45 0.00 0.00 41.25 38.69 3cbw s ASN 33 CO 0.69 -1.47 1.86 1.55 -3.72 0.00 0.00 177.10 176.00 3cbw h PRO 34 N 10.52 0.00 -0.58 0.43 0.13 -1.99 -2.01 132.00 138.50 3cbw h PRO 34 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3cbw h PRO 34 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3cbw h PRO 34 CO 1.12 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.98 3cbw n ASN 35 N -2.61 3.25 -4.66 1.44 3.02 -1.26 -4.99 115.26 109.46 3cbw n ASN 35 Ca 0.01 -2.21 -0.42 0.00 -0.03 0.00 0.00 54.58 51.92 3cbw n ASN 35 Cb 0.22 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3cbw n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cbw n ALA 36 N 0.81 0.75 -1.71 5.41 0.00 -0.76 -4.81 120.51 120.20 3cbw n ALA 36 Ca 0.18 0.28 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 3cbw n ALA 36 Cb 0.59 -2.17 0.06 0.00 0.00 0.00 0.00 19.45 17.92 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 0.25 1.26 -0.36 0.00 6.02 0.58 -4.76 117.38 120.37 3cbw n GLN 37 Ca 0.07 0.48 -0.01 0.00 -0.01 0.00 0.00 57.00 57.53 3cbw n GLN 37 Cb 0.38 -2.46 0.12 0.00 1.02 0.00 0.00 30.24 29.30 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 0.83 1.22 -0.75 -1.09 5.75 -1.91 -0.77 115.11 118.38 3cbw h GLN 38 Ca -0.50 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.01 3cbw h GLN 38 Cb 1.33 -0.27 -0.07 0.00 1.07 0.00 0.00 27.48 29.54 3cbw h GLN 38 CO 0.54 0.80 0.41 1.15 -2.65 0.00 0.00 178.83 179.08 3cbw h THR 39 N 1.25 0.90 -0.52 2.39 2.02 -1.91 0.48 112.91 117.53 3cbw h THR 39 Ca 0.36 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 3cbw h THR 39 Cb -0.08 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3cbw h THR 39 CO -0.10 0.13 0.01 0.74 0.37 0.00 0.00 175.52 176.67 3cbw h THR 40 N 0.71 1.26 -0.38 3.16 2.02 -1.61 -0.35 112.91 117.72 3cbw h THR 40 Ca 0.36 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3cbw h THR 40 Cb 0.32 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3cbw h THR 40 CO -0.24 0.38 0.24 0.11 0.37 0.00 0.00 175.52 176.39 3cbw h LYS 41 N 0.79 0.48 -0.42 6.66 1.57 -0.48 -0.30 116.57 124.86 3cbw h LYS 41 Ca 0.15 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3cbw h LYS 41 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3cbw h LYS 41 CO 0.03 0.31 0.08 1.15 -0.57 0.00 0.00 179.45 180.45 3cbw h THR 42 N 0.49 1.24 -0.55 -0.16 2.02 -0.69 -1.56 112.91 113.70 3cbw h THR 42 Ca 0.15 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3cbw h THR 42 Cb -0.03 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3cbw h THR 42 CO -0.05 0.30 0.19 0.58 0.37 0.00 0.00 175.52 176.91 3cbw h VAL 43 N 0.55 1.23 -0.40 3.16 2.07 -0.94 -1.67 116.25 120.25 3cbw h VAL 43 Ca 0.13 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3cbw h VAL 43 Cb 0.35 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3cbw h VAL 43 CO 0.01 0.28 0.20 -0.03 0.02 0.00 0.00 177.57 178.05 3cbw h MET 44 N 0.75 0.57 -0.78 1.57 -1.53 -0.85 0.38 114.93 115.04 3cbw h MET 44 Ca 0.18 -0.08 0.03 0.00 -3.44 0.00 0.00 59.70 56.39 3cbw h MET 44 Cb 0.25 -0.11 -0.05 0.00 -0.55 0.00 0.00 31.60 31.15 3cbw h MET 44 CO -0.01 0.49 0.50 -0.97 0.14 0.00 0.00 176.91 177.06 3cbw h ASN 45 N 0.51 0.84 -0.30 1.39 -1.24 -1.18 -1.92 115.58 113.69 3cbw h ASN 45 Ca 0.14 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 3cbw h ASN 45 Cb 0.09 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 3cbw h ASN 45 CO -0.02 0.59 0.13 -0.25 -1.29 0.00 0.00 177.43 176.58 3cbw h TRP 46 N 0.99 0.45 -0.57 0.67 7.01 -0.82 -2.81 115.95 120.86 3cbw h TRP 46 Ca 0.31 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.32 3cbw h TRP 46 Cb -0.02 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 3cbw h TRP 46 CO -0.03 0.43 0.30 -0.07 -2.79 0.00 0.00 178.44 176.28 3cbw h LEU 47 N 0.34 0.45 -1.69 0.65 3.38 -0.69 -2.59 115.31 115.16 3cbw h LEU 47 Ca 0.10 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3cbw h LEU 47 Cb 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3cbw h LEU 47 CO -0.01 0.30 -0.18 0.00 0.09 0.00 0.00 178.44 178.64 3cbw h ALA 48 N 1.30 1.54 -0.01 1.53 0.00 -1.17 -2.48 119.26 119.97 3cbw h ALA 48 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cbw h ALA 48 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3cbw h ALA 48 CO -0.16 0.23 -0.12 0.72 0.00 0.00 0.00 179.25 179.91 3cbw n HIS 49 N -4.10 0.00 -0.26 0.00 8.25 -0.98 -4.40 115.22 113.74 3cbw n HIS 49 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3cbw n HIS 49 Cb 0.26 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.40 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 1.18 0.57 0.00 2.41 3.38 -1.37 -2.49 115.31 118.99 3cbw h LEU 50 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cbw h LEU 50 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3cbw h LEU 50 CO 0.00 0.34 0.00 -2.65 0.09 0.00 0.00 178.44 176.22 3cbw n PRO 51 N -4.80 0.06 0.05 1.13 -0.02 -1.26 -1.70 135.00 128.47 3cbw n PRO 51 Ca 0.11 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3cbw n PRO 51 Cb 0.24 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.37 0.41 -4.90 2.55 3.02 -0.94 -4.89 115.26 109.14 3cbw n ASN 52 Ca 0.03 0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 54.83 3cbw n ASN 52 Cb 0.07 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.64 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 -3.06 2.51 0.00 3.52 0.52 -0.69 -4.90 118.95 116.86 3cbw s ARG 53 Ca 0.12 0.18 0.19 0.00 -0.52 0.00 0.00 55.73 55.70 3cbw s ARG 53 Cb 0.15 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.59 3cbw s ARG 53 CO 0.55 -1.17 1.01 0.25 0.02 0.00 0.00 175.30 175.95 3cbw n THR 54 N -3.02 0.00 -3.74 0.02 -2.24 -1.26 -4.99 114.28 99.05 3cbw n THR 54 Ca 0.07 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3cbw n THR 54 Cb 0.59 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 70.06 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 -2.05 1.54 -1.17 -0.78 -1.05 -1.26 -4.81 118.70 109.11 3cbw s GLU 55 Ca 0.18 -0.87 -0.15 0.00 -0.15 0.00 0.00 54.97 53.98 3cbw s GLU 55 Cb 0.16 0.57 -0.01 0.00 -0.44 0.00 0.00 34.13 34.40 3cbw s GLU 55 CO 0.43 -0.68 0.76 0.09 0.95 0.00 0.00 175.26 176.81 3cbw n ASN 56 N -0.40 -4.50 0.00 0.83 5.03 0.05 -4.90 115.26 111.38 3cbw n ASN 56 Ca -0.08 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.40 3cbw n ASN 56 Cb 0.62 -3.58 0.00 0.00 -1.02 0.00 0.00 39.78 35.79 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 -4.13 -0.13 -3.77 3.52 1.85 0.85 -4.82 116.66 110.03 3cbw n ARG 57 Ca -0.13 -0.34 -0.27 0.00 -1.00 0.00 0.00 57.85 56.11 3cbw n ARG 57 Cb 0.61 -0.72 -0.17 0.00 -1.05 0.00 0.00 32.46 31.14 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 -0.08 0.61 0.13 8.89 1.01 -0.27 -4.50 120.40 126.20 3cbw s VAL 58 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3cbw s VAL 58 Cb 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3cbw s VAL 58 CO 0.00 -0.05 1.25 -0.76 0.00 0.00 0.00 175.10 175.54 3cbw s LEU 59 N 1.83 4.40 0.66 3.92 1.02 0.14 -0.38 118.68 130.28 3cbw s LEU 59 Ca 0.00 2.20 -0.11 0.00 0.02 0.00 0.00 54.13 56.24 3cbw s LEU 59 Cb -0.16 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 3cbw s LEU 59 CO -0.07 -0.49 1.05 -0.94 0.02 0.00 0.00 176.35 175.92 3cbw s SER 60 N 0.68 5.68 0.05 2.29 1.04 -0.65 -1.55 113.70 121.23 3cbw s SER 60 Ca 0.58 1.58 -0.26 0.00 0.48 0.00 0.00 55.95 58.33 3cbw s SER 60 Cb -0.33 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.36 3cbw s SER 60 CO 0.33 -1.24 0.60 -0.83 0.98 0.00 0.00 173.24 173.08 3cbw s GLY 61 N -3.81 -0.54 -0.07 7.32 0.00 -0.30 -0.85 107.32 109.08 3cbw s GLY 61 Ca 0.58 0.82 -0.10 0.00 0.00 0.00 0.00 44.72 46.02 3cbw s GLY 61 CO 0.53 0.49 0.25 0.00 0.00 0.00 0.00 173.10 174.37 3cbw s ALA 62 N -2.41 -0.62 -0.07 3.20 0.00 -0.46 -1.23 121.76 120.17 3cbw s ALA 62 Ca -0.05 0.51 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 3cbw s ALA 62 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3cbw s ALA 62 CO -0.01 -0.16 0.87 0.12 0.00 0.00 0.00 175.76 176.58 3cbw s PHE 63 N -0.39 3.57 -0.47 0.00 5.36 -0.06 -0.93 117.98 125.07 3cbw s PHE 63 Ca -0.05 1.47 0.23 0.00 -0.96 0.00 0.00 56.93 57.62 3cbw s PHE 63 Cb -0.03 -3.02 0.06 0.00 -0.34 0.00 0.00 43.02 39.69 3cbw s PHE 63 CO 0.01 -0.06 1.05 0.41 -1.46 0.00 0.00 175.22 175.17 3cbw n GLY 64 N 3.09 -1.30 0.00 13.12 0.00 0.75 -4.29 105.19 116.56 3cbw n GLY 64 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.30 0.57 3.72 -0.02 0.00 -1.24 -2.27 105.19 107.26 3cbw n GLY 65 Ca 0.01 -2.23 -0.37 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 -0.65 3.45 0.23 1.61 2.02 -1.26 -1.80 117.35 120.94 3cbw s TYR 66 Ca 0.00 0.61 -0.31 0.00 -0.37 0.00 0.00 57.07 56.99 3cbw s TYR 66 Cb 0.00 -2.38 -0.14 0.00 -0.40 0.00 0.00 41.96 39.04 3cbw s TYR 66 CO 0.00 0.20 1.36 0.45 -1.57 0.00 0.00 175.55 175.99 3cbw n SER 67 N 3.71 2.48 -4.08 2.29 2.88 -0.14 -0.51 113.62 120.25 3cbw n SER 67 Ca -0.11 1.14 -0.35 0.00 -1.33 0.00 0.00 58.87 58.22 3cbw n SER 67 Cb 0.52 -1.39 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 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 1.82 -1.47 0.08 0.66 -0.00 -1.26 -4.70 115.22 110.35 3cbw n HIS 68 Ca 0.12 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 3cbw n HIS 68 Cb 0.30 -3.09 0.00 0.00 -0.00 0.00 0.00 29.99 27.20 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 -2.64 -1.48 0.00 0.26 2.03 -0.91 -4.98 116.55 108.82 3cbw n ASP 69 Ca -0.22 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3cbw n ASP 69 Cb 0.64 1.66 0.00 0.00 -0.72 0.00 0.00 41.12 42.70 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 -2.78 0.00 -1.72 5.18 -2.24 -0.23 -4.97 114.28 107.53 3cbw n THR 70 Ca 0.00 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 3cbw n THR 70 Cb 0.00 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 3cbw n THR 70 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3cbw n PHE 71 N -0.61 2.59 -3.46 4.78 7.35 0.33 -4.59 117.46 123.84 3cbw n PHE 71 Ca 0.00 0.30 -0.12 0.00 -0.76 0.00 0.00 57.45 56.87 3cbw n PHE 71 Cb 0.00 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.25 3cbw n PHE 71 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3cbw s SER 72 N 0.48 -0.54 0.00 -2.13 0.15 -0.96 -4.79 113.70 105.91 3cbw s SER 72 Ca 0.67 0.17 0.32 0.00 0.70 0.00 0.00 55.95 57.80 3cbw s SER 72 Cb -0.56 0.53 1.81 0.00 -1.71 0.00 0.00 66.02 66.10 3cbw s SER 72 CO 0.48 -0.80 2.18 0.23 1.20 0.00 0.00 173.24 176.53 3cbw n MET 73 N -0.03 0.88 -0.28 5.44 2.81 -1.26 -4.27 117.12 120.41 3cbw n MET 73 Ca -0.15 -0.01 0.04 0.00 -1.81 0.00 0.00 57.70 55.76 3cbw n MET 73 Cb 0.62 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.81 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 3.88 1.15 -0.20 3.04 0.00 -1.95 -0.80 119.26 124.38 3cbw h ALA 74 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3cbw h ALA 74 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3cbw h ALA 74 CO 0.00 -0.00 0.08 1.49 0.00 0.00 0.00 179.25 180.82 3cbw h GLU 75 N 0.68 0.29 -0.69 0.00 4.57 -1.90 0.78 114.58 118.31 3cbw h GLU 75 Ca 0.40 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.57 3cbw h GLU 75 Cb 0.46 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3cbw h GLU 75 CO -0.29 0.35 0.42 0.00 -1.18 0.00 0.00 179.01 178.31 3cbw h ALA 76 N 0.93 0.91 -0.85 2.92 0.00 -1.72 -1.57 119.26 119.87 3cbw h ALA 76 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3cbw h ALA 76 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3cbw h ALA 76 CO -0.01 0.17 0.44 -0.44 0.00 0.00 0.00 179.25 179.41 3cbw h ASP 77 N 0.81 1.09 -0.39 0.00 3.32 -0.75 -1.45 116.42 119.04 3cbw h ASP 77 Ca 0.29 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3cbw h ASP 77 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3cbw h ASP 77 CO -0.13 0.90 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.17 3cbw h ARG 78 N 1.20 0.72 -0.80 3.56 2.43 -0.49 -0.96 114.38 120.04 3cbw h ARG 78 Ca 0.30 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3cbw h ARG 78 Cb 0.08 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3cbw h ARG 78 CO -0.04 0.83 0.37 0.82 -1.51 0.00 0.00 179.97 180.44 3cbw h ILE 79 N 0.54 1.25 -0.52 1.20 2.04 -1.11 0.23 117.51 121.14 3cbw h ILE 79 Ca 0.11 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 3cbw h ILE 79 Cb 0.53 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3cbw h ILE 79 CO 0.03 0.31 -0.03 -0.09 0.00 0.00 0.00 178.15 178.37 3cbw h ARG 80 N 1.15 0.90 -0.44 2.37 2.43 -1.03 -0.19 114.38 119.57 3cbw h ARG 80 Ca 0.27 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3cbw h ARG 80 Cb 0.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3cbw h ARG 80 CO -0.03 0.91 0.26 1.03 -1.51 0.00 0.00 179.97 180.63 3cbw h SER 81 N 0.83 0.53 0.24 -3.80 0.87 -0.65 0.28 113.55 111.85 3cbw h SER 81 Ca 0.15 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3cbw h SER 81 Cb 0.53 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3cbw h SER 81 CO 0.03 0.44 -0.53 0.00 -0.53 0.00 0.00 176.83 176.23 3cbw h ALA 82 N 1.12 0.89 0.00 6.23 0.00 -0.58 -3.38 119.26 123.53 3cbw h ALA 82 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3cbw h ALA 82 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3cbw h ALA 82 CO -0.03 0.68 -0.46 0.25 0.00 0.00 0.00 179.25 179.70 3cbw n THR 83 N -3.94 0.00 -0.96 0.00 -2.24 -0.12 -4.75 114.28 102.28 3cbw n THR 83 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3cbw n THR 83 Cb 0.57 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.48 1.04 3.34 3.38 0.00 0.98 -4.95 105.19 110.46 3cbw n GLY 84 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.31 0.12 1.61 -1.52 -1.26 -4.98 119.66 114.93 3cbw s GLN 85 Ca 0.00 -1.51 0.07 0.00 -1.95 0.00 0.00 55.36 51.97 3cbw s GLN 85 Cb 0.00 -1.23 -0.04 0.00 -0.22 0.00 0.00 33.01 31.52 3cbw s GLN 85 CO 0.00 0.23 -0.04 -1.12 -0.25 0.00 0.00 175.29 174.10 3cbw s SER 86 N -3.02 4.69 0.32 5.90 0.01 -1.26 -2.65 113.70 117.69 3cbw s SER 86 Ca 0.19 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 3cbw s SER 86 Cb -0.03 -0.99 -0.11 0.00 0.21 0.00 0.00 66.02 65.10 3cbw s SER 86 CO 0.07 0.15 1.53 -2.16 0.41 0.00 0.00 173.24 173.24 3cbw s PRO 87 N -2.48 4.14 0.30 12.44 0.04 -1.26 -1.18 135.00 147.00 3cbw s PRO 87 Ca 0.25 2.54 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 3cbw s PRO 87 Cb -0.11 -3.01 0.44 0.00 0.04 0.00 0.00 34.50 31.86 3cbw s PRO 87 CO 0.17 -0.56 1.94 0.00 0.04 0.00 0.00 177.00 178.59 3cbw h ALA 88 N 4.14 1.38 -3.50 8.56 0.00 -1.51 -3.34 119.26 124.99 3cbw h ALA 88 Ca -0.48 -0.08 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 3cbw h ALA 88 Cb 1.23 -0.31 -0.22 0.00 0.00 0.00 0.00 17.79 18.48 3cbw h ALA 88 CO 0.73 0.55 -0.72 0.42 0.00 0.00 0.00 179.25 180.23 3cbw s ILE 89 N -5.81 3.50 -0.09 0.00 1.01 -0.03 -0.80 121.20 118.97 3cbw s ILE 89 Ca -0.11 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3cbw s ILE 89 Cb 0.17 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3cbw s ILE 89 CO 0.79 0.55 -0.20 -0.47 0.00 0.00 0.00 174.94 175.61 3cbw s TYR 90 N -0.13 2.17 0.02 3.97 5.04 -0.78 -1.36 117.35 126.28 3cbw s TYR 90 Ca 0.01 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 3cbw s TYR 90 Cb -0.13 -1.49 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 3cbw s TYR 90 CO 0.03 -0.38 0.09 0.20 -1.34 0.00 0.00 175.55 174.15 3cbw s GLY 91 N 0.50 2.03 0.06 8.97 0.00 -0.10 -1.42 107.32 117.36 3cbw s GLY 91 Ca -0.16 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3cbw s GLY 91 CO 0.06 -0.80 -0.09 0.00 0.00 0.00 0.00 173.10 172.27 3cbw s ASP 93 N -1.96 3.07 0.44 0.00 -1.08 -0.75 -2.03 116.67 114.36 3cbw s ASP 93 Ca -0.03 -0.60 0.26 0.00 -0.52 0.00 0.00 52.55 51.66 3cbw s ASP 93 Cb -0.07 -1.43 0.66 0.00 -1.46 0.00 0.00 42.92 40.63 3cbw s ASP 93 CO -0.00 0.06 1.72 1.88 0.52 0.00 0.00 175.17 179.36 3cbw h TYR 94 N 7.42 0.00 -3.36 -5.34 0.05 -1.74 -0.35 116.97 113.65 3cbw h TYR 94 Ca -0.34 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.77 3cbw h TYR 94 Cb 1.18 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.62 3cbw h TYR 94 CO 0.47 0.00 -0.75 0.00 -1.05 0.00 0.00 178.16 176.83 3cbw s ALA 95 N -3.32 2.70 -1.03 3.88 0.00 -1.26 -0.83 121.76 121.90 3cbw s ALA 95 Ca 0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 3cbw s ALA 95 Cb 0.07 -1.61 0.29 0.00 0.00 0.00 0.00 23.12 21.87 3cbw s ALA 95 CO 0.62 -0.51 1.28 0.54 0.00 0.00 0.00 175.76 177.69 3cbw n ARG 96 N 4.73 3.95 0.00 0.00 3.00 0.06 -3.29 116.66 125.12 3cbw n ARG 96 Ca -0.18 -4.55 0.10 0.00 -0.01 0.00 0.00 57.85 53.21 3cbw n ARG 96 Cb 0.50 -2.48 0.54 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 1.60 -0.82 0.13 -0.13 0.00 -0.33 -1.96 105.19 103.69 3cbw n GLY 97 Ca 0.26 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.22 1.61 0.09 -1.90 -2.79 115.95 109.74 3cbw h TRP 98 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 3cbw h TRP 98 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.36 3cbw h TRP 98 CO 0.00 0.00 0.59 -0.51 0.09 0.00 0.00 178.44 178.61 3cbw s LEU 99 N -5.07 4.39 -0.21 0.11 1.43 -0.83 -4.55 118.68 113.95 3cbw s LEU 99 Ca 0.07 2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 55.07 3cbw s LEU 99 Cb 0.10 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 3cbw s LEU 99 CO 0.68 -0.49 0.77 -1.61 0.23 0.00 0.00 176.35 175.93 3cbw s GLU 100 N 0.76 4.22 0.14 1.70 2.02 -1.26 -2.56 118.70 123.70 3cbw s GLU 100 Ca 0.59 0.86 0.02 0.00 0.02 0.00 0.00 54.97 56.45 3cbw s GLU 100 Cb -0.32 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 3cbw s GLU 100 CO 0.31 -0.39 -0.03 0.95 0.02 0.00 0.00 175.26 176.12 3cbw s THR 101 N 2.39 0.70 0.16 3.63 -4.23 -1.26 -5.00 115.64 112.03 3cbw s THR 101 Ca 0.34 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.73 3cbw s THR 101 Cb -0.16 -1.90 0.04 0.00 1.34 0.00 0.00 72.50 71.82 3cbw s THR 101 CO 0.10 -0.67 1.79 0.00 -0.54 0.00 0.00 174.62 175.30 3cbw h ALA 102 N 2.83 0.60 -4.14 3.99 0.00 -1.96 -3.43 119.26 117.15 3cbw h ALA 102 Ca -0.36 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 53.94 3cbw h ALA 102 Cb 1.19 -0.19 -0.27 0.00 0.00 0.00 0.00 17.79 18.51 3cbw h ALA 102 CO 0.64 0.09 -0.83 -0.80 0.00 0.00 0.00 179.25 178.34 3cbw s ASN 103 N -5.70 2.16 0.34 0.00 0.01 -1.26 -5.01 114.94 105.48 3cbw s ASN 103 Ca -0.13 -0.42 0.05 0.00 -0.71 0.00 0.00 52.86 51.65 3cbw s ASN 103 Cb 0.11 -0.20 0.69 0.00 0.41 0.00 0.00 41.25 42.26 3cbw s ASN 103 CO 0.74 0.17 1.93 -0.29 -1.51 0.00 0.00 177.10 178.14 3cbw h ILE 104 N 4.54 1.01 0.00 0.60 2.10 -1.82 -1.36 117.51 122.58 3cbw h ILE 104 Ca -0.39 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.27 3cbw h ILE 104 Cb 1.16 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3cbw h ILE 104 CO 0.46 0.15 0.00 -1.84 -1.08 0.00 0.00 178.15 175.84 3cbw n GLU 105 N -4.49 0.18 0.31 2.19 0.00 -1.26 -1.64 120.64 115.93 3cbw n GLU 105 Ca 0.12 0.42 0.20 0.00 0.00 0.00 0.00 57.16 57.90 3cbw n GLU 105 Cb 0.25 -1.85 1.06 0.00 0.00 0.00 0.00 31.44 30.91 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 0.42 -1.84 3.32 -1.65 -0.64 116.42 116.03 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 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3cbw h ASP 106 CO 0.00 0.00 -0.00 0.77 -1.72 0.00 0.00 179.24 178.29 3cbw h SER 107 N 0.00 0.00 -3.30 6.45 4.64 -1.49 -3.43 113.55 116.43 3cbw h SER 107 Ca 0.01 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.75 3cbw h SER 107 Cb 0.14 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.14 3cbw h SER 107 CO -0.00 0.00 -0.23 -0.63 -0.87 0.00 0.00 176.83 175.10 3cbw s ILE 108 N -3.96 5.24 -0.00 0.95 -1.09 -0.25 -0.76 121.20 121.33 3cbw s ILE 108 Ca -0.02 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 3cbw s ILE 108 Cb 0.11 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3cbw s ILE 108 CO 0.47 0.36 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.86 3cbw s ASP 109 N 0.49 0.70 -0.04 3.58 2.15 -0.01 -5.02 116.67 118.52 3cbw s ASP 109 Ca 0.21 -0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.14 3cbw s ASP 109 Cb -0.14 -0.08 0.08 0.00 -0.30 0.00 0.00 42.92 42.49 3cbw s ASP 109 CO 0.07 0.07 1.00 1.33 -0.17 0.00 0.00 175.17 177.48 3cbw n VAL 110 N 2.92 1.14 0.32 1.11 0.24 -1.26 -4.46 118.33 118.34 3cbw n VAL 110 Ca -0.13 -1.25 0.20 0.00 -2.04 0.00 0.00 64.34 61.12 3cbw n VAL 110 Cb 0.58 0.33 1.06 0.00 -1.47 0.00 0.00 33.84 34.33 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 0.00 0.00 0.29 -1.34 4.64 -1.97 -1.89 113.55 113.28 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3cbw h SER 111 CO 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3cbw h ASN 113 N 0.00 0.65 -0.28 0.00 2.35 -1.74 -1.74 115.58 114.82 3cbw h ASN 113 Ca 0.00 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3cbw h ASN 113 Cb 0.14 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3cbw h ASN 113 CO 0.00 0.23 -0.02 1.23 -1.65 0.00 0.00 177.43 177.22 3cbw h GLY 114 N 0.63 0.26 1.76 2.83 0.00 -1.79 0.33 103.07 107.08 3cbw h GLY 114 Ca 0.55 0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.80 3cbw h GLY 114 CO -0.32 -0.07 -0.52 -0.55 0.00 0.00 0.00 176.54 175.08 3cbw h ASP 115 N 0.06 0.28 -0.51 0.19 3.32 -1.64 -2.81 116.42 115.31 3cbw h ASP 115 Ca 0.14 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3cbw h ASP 115 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3cbw h ASP 115 CO -0.24 0.75 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.96 3cbw h LEU 116 N 0.20 0.88 -0.54 1.55 3.38 -0.75 -0.30 115.31 119.73 3cbw h LEU 116 Ca 0.01 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 3cbw h LEU 116 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3cbw h LEU 116 CO 0.08 0.97 0.13 0.24 0.09 0.00 0.00 178.44 179.95 3cbw h MET 117 N 0.76 0.86 -0.29 1.13 2.86 -0.95 -2.20 114.93 117.11 3cbw h MET 117 Ca 0.14 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3cbw h MET 117 Cb 0.52 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3cbw h MET 117 CO 0.03 0.82 -0.11 0.77 1.06 0.00 0.00 176.91 179.47 3cbw h SER 118 N 0.76 0.46 -0.56 1.22 0.02 -1.38 -1.51 113.55 112.56 3cbw h SER 118 Ca 0.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3cbw h SER 118 Cb 0.34 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3cbw h SER 118 CO 0.00 0.60 0.27 0.22 -1.14 0.00 0.00 176.83 176.79 3cbw h TYR 119 N 0.44 0.80 -0.23 3.45 5.03 -0.54 -0.06 116.97 125.87 3cbw h TYR 119 Ca 0.08 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 3cbw h TYR 119 Cb 0.46 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 3cbw h TYR 119 CO 0.01 0.62 0.13 2.35 -1.32 0.00 0.00 178.16 179.95 3cbw h TRP 120 N 0.76 0.31 -0.29 -3.82 2.91 -1.21 0.53 115.95 115.14 3cbw h TRP 120 Ca 0.19 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.25 3cbw h TRP 120 Cb 0.11 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 3cbw h TRP 120 CO -0.00 0.26 0.20 -0.22 -1.03 0.00 0.00 178.44 177.65 3cbw h LYS 121 N 0.26 0.19 -0.63 2.65 3.64 -0.87 -2.52 116.57 119.29 3cbw h LYS 121 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3cbw h LYS 121 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3cbw h LYS 121 CO -0.01 0.13 0.00 0.09 -2.27 0.00 0.00 179.45 177.38 3cbw n ASN 122 N -4.49 4.95 0.00 4.20 3.02 -0.07 -4.94 115.26 117.93 3cbw n ASN 122 Ca 0.03 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 3cbw n ASN 122 Cb 0.22 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 1.01 1.16 0.00 7.41 0.00 -0.93 -4.40 105.19 109.45 3cbw n GLY 123 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.47 3.99 2.86 -0.02 0.00 0.13 -1.45 105.19 109.23 3cbw n GLY 124 Ca 0.00 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.69 0.29 0.42 -0.61 1.01 0.02 -3.87 121.20 117.77 3cbw s ILE 125 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 3cbw s ILE 125 Cb 0.00 -0.34 -0.08 0.00 0.01 0.00 0.00 42.46 42.05 3cbw s ILE 125 CO 0.00 0.15 0.84 -2.16 0.00 0.00 0.00 174.94 173.78 3cbw s PRO 126 N 0.78 3.93 -0.02 2.79 0.04 -1.26 -1.86 135.00 139.40 3cbw s PRO 126 Ca -0.09 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.71 3cbw s PRO 126 Cb -0.12 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 3cbw s PRO 126 CO -0.01 -0.06 -0.10 -1.14 0.04 0.00 0.00 177.00 175.74 3cbw s GLN 127 N -3.63 0.94 -0.09 4.56 -0.44 -0.51 -1.71 119.66 118.79 3cbw s GLN 127 Ca 0.55 -0.34 0.02 0.00 -2.50 0.00 0.00 55.36 53.10 3cbw s GLN 127 Cb -0.10 -0.89 0.01 0.00 -1.64 0.00 0.00 33.01 30.39 3cbw s GLN 127 CO 0.26 0.15 -0.15 0.42 0.50 0.00 0.00 175.29 176.47 3cbw s ILE 128 N 0.04 1.41 0.45 -2.34 1.01 0.30 -0.86 121.20 121.22 3cbw s ILE 128 Ca -0.01 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3cbw s ILE 128 Cb -0.07 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3cbw s ILE 128 CO 0.00 0.42 0.10 -0.94 0.00 0.00 0.00 174.94 174.52 3cbw s SER 129 N 0.73 4.18 -0.18 3.58 1.04 -0.86 -0.80 113.70 121.39 3cbw s SER 129 Ca -0.12 -1.34 -0.05 0.00 0.48 0.00 0.00 55.95 54.91 3cbw s SER 129 Cb -0.16 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.93 3cbw s SER 129 CO 0.03 -0.65 0.09 -0.76 0.98 0.00 0.00 173.24 172.93 3cbw s LEU 130 N -3.87 0.41 -1.34 2.42 1.43 -1.26 -2.79 118.68 113.68 3cbw s LEU 130 Ca 0.29 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 3cbw s LEU 130 Cb 0.05 -0.27 0.12 0.00 0.03 0.00 0.00 46.19 46.11 3cbw s LEU 130 CO 0.16 -0.36 2.11 1.41 0.23 0.00 0.00 176.35 179.90 3cbw n HIS 131 N 5.26 2.92 -1.71 0.29 8.25 -1.21 -4.61 115.22 124.43 3cbw n HIS 131 Ca -0.07 -2.85 -0.43 0.00 -0.26 0.00 0.00 57.72 54.11 3cbw n HIS 131 Cb 0.48 -2.07 -0.02 0.00 1.12 0.00 0.00 29.99 29.50 3cbw n HIS 131 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3cbw n LEU 132 N 3.81 3.70 -4.63 2.41 4.77 -1.26 -1.19 117.00 124.62 3cbw n LEU 132 Ca 0.49 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 57.31 3cbw n LEU 132 Cb 0.34 -1.51 0.19 0.00 -2.33 0.00 0.00 43.42 40.11 3cbw n LEU 132 CO 0.81 -0.18 0.63 0.00 -1.33 0.00 0.00 177.39 177.33 3cbw s ALA 133 N 0.02 0.94 -0.46 -1.18 0.00 -1.26 -4.59 121.76 115.23 3cbw s ALA 133 Ca 0.67 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 3cbw s ALA 133 Cb -0.58 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.21 3cbw s ALA 133 CO 0.48 -3.02 0.49 1.21 0.00 0.00 0.00 175.76 174.92 3cbw s ASN 134 N -2.69 6.20 0.00 0.00 3.84 0.04 -4.90 114.94 117.43 3cbw s ASN 134 Ca 0.67 -0.87 0.23 0.00 0.21 0.00 0.00 52.86 53.10 3cbw s ASN 134 Cb -0.23 -2.24 1.36 0.00 -0.55 0.00 0.00 41.25 39.59 3cbw s ASN 134 CO 0.60 -0.69 1.74 -0.81 -2.79 0.00 0.00 177.10 175.15 3cbw n PRO 135 N 5.71 0.70 0.13 0.43 -0.04 -1.26 -1.22 135.00 139.45 3cbw n PRO 135 Ca -0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 3cbw n PRO 135 Cb 0.46 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.91 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 -1.02 1.70 -2.53 0.55 0.00 -1.26 -4.43 120.51 113.52 3cbw n ALA 136 Ca 0.17 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 3cbw n ALA 136 Cb 0.08 -1.40 -0.09 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 -3.32 2.53 0.29 0.00 0.08 -0.35 -5.04 117.98 112.17 3cbw s PHE 137 Ca 0.04 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 3cbw s PHE 137 Cb 0.09 -1.53 0.42 0.00 -0.57 0.00 0.00 43.02 41.43 3cbw s PHE 137 CO 0.41 0.47 1.88 0.37 -0.10 0.00 0.00 175.22 178.25 3cbw h GLN 138 N 1.80 0.94 -2.68 0.44 -0.00 -1.87 -3.46 115.11 110.28 3cbw h GLN 138 Ca -0.43 -0.13 0.12 0.00 -0.00 0.00 0.00 58.65 58.21 3cbw h GLN 138 Cb 1.25 -0.17 -0.06 0.00 0.00 0.00 0.00 27.48 28.49 3cbw h GLN 138 CO 0.68 0.74 0.36 -1.54 0.00 0.00 0.00 178.83 179.07 3cbw s SER 139 N -6.46 -0.21 0.94 -0.69 1.04 -1.26 -3.77 113.70 103.28 3cbw s SER 139 Ca -0.11 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3cbw s SER 139 Cb 0.16 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.90 3cbw s SER 139 CO 0.80 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3cbw n GLY 140 N -0.47 2.16 2.54 7.32 0.00 -1.06 -4.79 105.19 110.89 3cbw n GLY 140 Ca -0.05 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 8.46 -1.20 0.31 1.61 8.25 -1.19 -0.78 115.22 130.69 3cbw n HIS 141 Ca 0.00 0.15 0.19 0.00 -0.26 0.00 0.00 57.72 57.80 3cbw n HIS 141 Cb 0.00 -3.92 1.04 0.00 1.12 0.00 0.00 29.99 28.23 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 -0.40 0.00 -0.16 4.41 -0.00 -1.75 -1.68 116.94 117.36 3cbw h PHE 142 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.49 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 0.01 -0.01 1.63 -0.00 0.00 0.00 178.31 180.45 3cbw n LYS 143 N -3.37 2.25 -3.37 6.09 5.02 -1.26 -1.47 118.16 122.05 3cbw n LYS 143 Ca -0.03 -2.77 -0.40 0.00 -2.02 0.00 0.00 58.31 53.10 3cbw n LYS 143 Cb 0.11 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 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 -2.88 5.15 0.65 -0.18 2.01 -0.63 -4.80 115.64 114.95 3cbw s THR 144 Ca 0.39 0.44 -0.17 0.00 0.31 0.00 0.00 61.69 62.65 3cbw s THR 144 Cb 0.32 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3cbw s THR 144 CO 0.06 0.06 1.23 -2.84 -0.69 0.00 0.00 174.62 172.44 3cbw s PRO 145 N 2.11 2.62 0.24 4.92 0.02 -1.26 -4.53 135.00 139.12 3cbw s PRO 145 Ca 0.15 1.87 0.06 0.00 0.02 0.00 0.00 61.00 63.09 3cbw s PRO 145 Cb -0.16 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 3cbw s PRO 145 CO 0.11 -1.49 -0.06 0.96 -0.33 0.00 0.00 177.00 176.18 3cbw s ILE 146 N -1.66 1.45 0.60 2.83 -4.36 -1.26 -5.09 121.20 113.71 3cbw s ILE 146 Ca 0.78 -2.11 -0.07 0.00 -0.26 0.00 0.00 60.65 58.99 3cbw s ILE 146 Cb -0.32 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3cbw s ILE 146 CO 0.38 -0.39 0.93 0.42 0.24 0.00 0.00 174.94 176.53 3cbw s THR 147 N -3.14 3.79 0.36 8.37 -4.23 -1.26 -4.90 115.64 114.62 3cbw s THR 147 Ca 0.27 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3cbw s THR 147 Cb 0.03 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.63 3cbw s THR 147 CO 0.09 -0.56 2.01 0.78 -0.54 0.00 0.00 174.62 176.40 3cbw h ASN 148 N -0.23 0.69 -0.79 3.99 2.35 -2.00 -1.12 115.58 118.47 3cbw h ASN 148 Ca -0.45 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 3cbw h ASN 148 Cb 1.25 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 3cbw h ASN 148 CO 0.61 0.49 0.35 0.44 -1.65 0.00 0.00 177.43 177.68 3cbw h ASP 149 N 0.82 1.06 -0.60 5.81 3.32 -1.99 -0.52 116.42 124.31 3cbw h ASP 149 Ca 0.24 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3cbw h ASP 149 Cb -0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3cbw h ASP 149 CO -0.06 0.92 0.12 1.56 -1.72 0.00 0.00 179.24 180.06 3cbw h GLN 150 N 1.14 0.98 -0.76 3.56 4.20 -1.82 -2.49 115.11 119.92 3cbw h GLN 150 Ca 0.27 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3cbw h GLN 150 Cb 0.17 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3cbw h GLN 150 CO -0.03 0.91 0.50 -0.92 -0.67 0.00 0.00 178.83 178.63 3cbw h TYR 151 N 0.88 0.96 -0.79 2.96 3.20 -0.90 -1.74 116.97 121.54 3cbw h TYR 151 Ca 0.18 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3cbw h TYR 151 Cb 0.40 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3cbw h TYR 151 CO 0.03 0.61 0.48 0.87 -1.64 0.00 0.00 178.16 178.51 3cbw h LYS 152 N 1.03 1.06 -0.64 1.82 1.57 -0.91 -2.02 116.57 118.48 3cbw h LYS 152 Ca 0.28 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3cbw h LYS 152 Cb -0.11 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 31.94 3cbw h LYS 152 CO -0.06 0.73 0.21 0.87 -0.57 0.00 0.00 179.45 180.63 3cbw h LYS 153 N 1.08 0.98 -0.71 3.15 1.57 -0.91 -2.66 116.57 119.07 3cbw h LYS 153 Ca 0.28 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3cbw h LYS 153 Cb -0.06 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3cbw h LYS 153 CO -0.06 0.86 0.47 0.82 -0.57 0.00 0.00 179.45 180.97 3cbw h ILE 154 N 0.91 1.05 0.00 1.86 2.04 -0.73 -1.31 117.51 121.34 3cbw h ILE 154 Ca 0.21 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3cbw h ILE 154 Cb 0.28 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3cbw h ILE 154 CO -0.01 0.14 0.00 -0.07 0.00 0.00 0.00 178.15 178.21 3cbw h LEU 155 N 0.78 0.00 -8.42 1.44 3.38 -1.05 -3.35 115.31 108.09 3cbw h LEU 155 Ca 0.30 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.56 3cbw h LEU 155 Cb 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.73 3cbw h LEU 155 CO -0.09 0.00 -0.23 -0.62 0.09 0.00 0.00 178.44 177.59 3cbw s ASP 156 N -4.63 6.17 0.45 -0.43 -1.08 -0.49 -4.95 116.67 111.71 3cbw s ASP 156 Ca 0.06 -0.98 0.30 0.00 -0.52 0.00 0.00 52.55 51.40 3cbw s ASP 156 Cb 0.10 -2.21 1.61 0.00 -1.46 0.00 0.00 42.92 40.96 3cbw s ASP 156 CO 0.49 -0.65 1.91 0.28 0.52 0.00 0.00 175.17 177.71 3cbw h SER 157 N 8.78 0.00 1.54 -0.34 0.02 -1.81 -2.44 113.55 119.30 3cbw h SER 157 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3cbw h SER 157 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3cbw h SER 157 CO 0.85 0.00 -0.15 0.77 -1.14 0.00 0.00 176.83 177.16 3cbw h SER 158 N 0.00 0.00 -3.67 3.07 4.64 -1.92 -3.34 113.55 112.32 3cbw h SER 158 Ca 0.00 -0.03 -0.49 0.00 -0.47 0.00 0.00 61.79 60.80 3cbw h SER 158 Cb 0.04 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3cbw h SER 158 CO 0.00 0.01 0.16 0.42 -0.87 0.00 0.00 176.83 176.55 3cbw s THR 159 N -3.16 4.61 0.30 2.95 -4.23 -0.92 -4.92 115.64 110.27 3cbw s THR 159 Ca 0.08 0.23 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3cbw s THR 159 Cb 0.10 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.44 3cbw s THR 159 CO 0.65 -0.80 1.92 1.62 -0.54 0.00 0.00 174.62 177.48 3cbw h VAL 160 N 0.07 1.10 -0.44 2.29 3.04 -1.89 -0.17 116.25 120.25 3cbw h VAL 160 Ca -0.46 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 3cbw h VAL 160 Cb 1.21 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 3cbw h VAL 160 CO 0.61 0.19 0.23 -0.33 -1.01 0.00 0.00 177.57 177.27 3cbw h GLU 161 N 1.05 0.61 -0.39 4.17 3.07 -1.84 -0.90 114.58 120.36 3cbw h GLU 161 Ca 0.37 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 3cbw h GLU 161 Cb 0.12 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3cbw h GLU 161 CO -0.13 0.50 -0.22 0.78 -1.40 0.00 0.00 179.01 178.54 3cbw h GLY 162 N 0.57 0.83 1.25 -3.84 0.00 -1.47 -1.74 103.07 98.66 3cbw h GLY 162 Ca 0.15 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3cbw h GLY 162 CO -0.02 0.64 0.11 0.50 0.00 0.00 0.00 176.54 177.77 3cbw h LYS 163 N 0.67 0.93 -0.40 4.80 1.57 -0.84 -0.98 116.57 122.33 3cbw h LYS 163 Ca 0.09 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3cbw h LYS 163 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3cbw h LYS 163 CO 0.06 0.85 0.21 0.00 -0.57 0.00 0.00 179.45 180.01 3cbw h ARG 164 N 0.89 0.57 -0.06 3.15 3.08 -0.81 -0.15 114.38 121.05 3cbw h ARG 164 Ca 0.19 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3cbw h ARG 164 Cb 0.36 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3cbw h ARG 164 CO 0.00 0.47 -0.08 1.25 -1.07 0.00 0.00 179.97 180.54 3cbw h LEU 165 N 0.52 -0.24 -1.40 3.04 5.85 -1.04 -2.47 115.31 119.57 3cbw h LEU 165 Ca 0.14 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3cbw h LEU 165 Cb 0.07 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3cbw h LEU 165 CO -0.02 -0.11 -0.30 0.78 -0.34 0.00 0.00 178.44 178.45 3cbw h ASN 166 N -0.11 0.00 -0.51 1.25 2.35 -0.99 -0.69 115.58 116.88 3cbw h ASN 166 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3cbw h ASN 166 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3cbw h ASN 166 CO -0.13 0.30 0.20 0.00 -1.65 0.00 0.00 177.43 176.16 3cbw h ALA 167 N 1.70 0.67 -0.29 -0.83 0.00 -0.74 0.27 119.26 120.04 3cbw h ALA 167 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3cbw h ALA 167 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cbw h ALA 167 CO 0.04 0.28 0.10 0.52 0.00 0.00 0.00 179.25 180.19 3cbw h MET 168 N 0.69 0.44 -0.88 0.00 2.86 -0.94 -2.78 114.93 114.32 3cbw h MET 168 Ca 0.17 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3cbw h MET 168 Cb 0.20 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3cbw h MET 168 CO -0.01 0.48 0.53 -0.07 1.06 0.00 0.00 176.91 178.90 3cbw h LEU 169 N 0.31 1.05 -0.53 1.22 3.38 -0.92 -1.37 115.31 118.44 3cbw h LEU 169 Ca 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3cbw h LEU 169 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3cbw h LEU 169 CO -0.00 0.80 0.24 -1.28 0.09 0.00 0.00 178.44 178.28 3cbw h SER 170 N 1.20 0.71 -0.63 -0.43 0.87 -0.90 0.41 113.55 114.79 3cbw h SER 170 Ca 0.31 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3cbw h SER 170 Cb -0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3cbw h SER 170 CO -0.06 0.66 0.04 0.50 -0.53 0.00 0.00 176.83 177.44 3cbw h LYS 171 N 0.72 1.09 -0.30 2.24 3.64 -1.15 -0.15 116.57 122.65 3cbw h LYS 171 Ca 0.18 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3cbw h LYS 171 Cb 0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3cbw h LYS 171 CO -0.02 1.04 0.15 0.82 -2.27 0.00 0.00 179.45 179.17 3cbw h ILE 172 N 1.01 0.99 -0.38 2.00 2.04 -1.06 -2.44 117.51 119.66 3cbw h ILE 172 Ca 0.18 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3cbw h ILE 172 Cb 0.52 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3cbw h ILE 172 CO 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 178.15 178.20 3cbw h ALA 173 N 1.15 1.24 -0.64 1.87 0.00 -0.56 0.08 119.26 122.40 3cbw h ALA 173 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3cbw h ALA 173 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3cbw h ALA 173 CO -0.08 0.50 0.39 -0.44 0.00 0.00 0.00 179.25 179.62 3cbw h ASP 174 N 0.58 0.63 -0.21 0.00 3.32 -0.80 0.12 116.42 120.07 3cbw h ASP 174 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3cbw h ASP 174 Cb 0.41 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3cbw h ASP 174 CO 0.02 0.44 0.08 1.23 -1.72 0.00 0.00 179.24 179.29 3cbw h GLY 175 N 0.76 0.33 1.37 2.75 0.00 -0.85 -3.01 103.07 104.42 3cbw h GLY 175 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3cbw h GLY 175 CO -0.11 0.17 0.41 1.41 0.00 0.00 0.00 176.54 178.42 3cbw h LEU 176 N 0.18 0.68 -1.23 3.11 3.38 -0.62 -2.30 115.31 118.52 3cbw h LEU 176 Ca 0.07 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3cbw h LEU 176 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3cbw h LEU 176 CO -0.01 0.49 0.53 -0.61 0.09 0.00 0.00 178.44 178.93 3cbw h GLN 177 N 0.80 0.99 -0.68 1.13 5.75 -0.64 -0.85 115.11 121.61 3cbw h GLN 177 Ca 0.23 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3cbw h GLN 177 Cb -0.05 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.24 3cbw h GLN 177 CO -0.05 0.66 0.43 1.49 -2.65 0.00 0.00 178.83 178.71 3cbw h GLU 178 N 1.02 0.91 -0.57 1.69 4.81 -1.33 -0.45 114.58 120.66 3cbw h GLU 178 Ca 0.31 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3cbw h GLU 178 Cb -0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3cbw h GLU 178 CO -0.08 0.62 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.72 3cbw h LEU 179 N 0.93 1.02 -1.08 1.64 3.38 -1.36 -3.01 115.31 116.82 3cbw h LEU 179 Ca 0.25 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3cbw h LEU 179 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3cbw h LEU 179 CO -0.05 1.09 0.30 -0.08 0.09 0.00 0.00 178.44 179.79 3cbw h GLU 180 N 0.92 0.94 0.00 1.13 4.81 -0.68 -1.82 114.58 119.88 3cbw h GLU 180 Ca 0.16 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3cbw h GLU 180 Cb 0.59 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3cbw h GLU 180 CO 0.03 0.75 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.14 3cbw h ASN 181 N 0.94 0.00 -0.53 1.04 2.35 -0.96 0.88 115.58 119.30 3cbw h ASN 181 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3cbw h ASN 181 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3cbw h ASN 181 CO -0.03 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.76 3cbw n GLN 182 N -3.22 2.58 -1.94 0.81 1.13 -0.73 -4.97 117.38 111.04 3cbw n GLN 182 Ca -0.02 -2.41 -0.14 0.00 -1.94 0.00 0.00 57.00 52.49 3cbw n GLN 182 Cb 0.12 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 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 1.45 0.42 3.62 1.08 0.00 0.30 -4.98 105.19 107.09 3cbw n GLY 183 Ca 0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.63 4.75 0.44 1.61 1.01 -0.89 -4.84 120.40 119.85 3cbw s VAL 184 Ca 0.00 1.32 -0.23 0.00 0.00 0.00 0.00 61.98 63.06 3cbw s VAL 184 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3cbw s VAL 184 CO 0.00 -0.27 1.15 -2.16 0.00 0.00 0.00 175.10 173.82 3cbw s PRO 185 N 3.06 3.87 -0.07 2.72 0.04 -1.26 -4.56 135.00 138.80 3cbw s PRO 185 Ca 0.35 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.16 3cbw s PRO 185 Cb -0.14 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.94 3cbw s PRO 185 CO 0.12 -0.46 -0.10 0.08 0.04 0.00 0.00 177.00 176.69 3cbw s VAL 186 N -1.53 1.04 -0.54 -0.36 1.01 -0.18 -4.31 120.40 115.53 3cbw s VAL 186 Ca 0.62 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 3cbw s VAL 186 Cb -0.28 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.13 3cbw s VAL 186 CO 0.35 0.34 1.36 -0.76 0.00 0.00 0.00 175.10 176.38 3cbw s LEU 187 N 0.95 3.44 -0.29 3.92 1.43 -0.69 -0.88 118.68 126.56 3cbw s LEU 187 Ca -0.09 0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3cbw s LEU 187 Cb -0.15 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 3cbw s LEU 187 CO 0.00 -1.61 0.10 0.12 0.23 0.00 0.00 176.35 175.20 3cbw s PHE 188 N 5.68 3.14 -0.63 0.29 5.36 0.60 -0.54 117.98 131.88 3cbw s PHE 188 Ca 0.51 -0.64 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 3cbw s PHE 188 Cb -0.10 -2.29 0.17 0.00 -0.34 0.00 0.00 43.02 40.46 3cbw s PHE 188 CO 0.26 -0.46 0.46 0.50 -1.46 0.00 0.00 175.22 174.52 3cbw s ARG 189 N 1.58 2.08 0.37 10.12 3.52 0.02 -0.90 118.95 135.75 3cbw s ARG 189 Ca 0.05 -3.05 -0.09 0.00 -0.13 0.00 0.00 55.73 52.50 3cbw s ARG 189 Cb -0.16 -2.93 -0.06 0.00 -1.56 0.00 0.00 34.95 30.24 3cbw s ARG 189 CO 0.04 -1.31 0.71 -1.25 -0.81 0.00 0.00 175.30 172.68 3cbw s PRO 190 N -1.10 3.76 -1.30 5.12 0.04 -1.26 -4.13 135.00 136.12 3cbw s PRO 190 Ca 0.27 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.65 3cbw s PRO 190 Cb -0.02 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3cbw s PRO 190 CO -0.18 0.04 0.89 1.28 0.04 0.00 0.00 177.00 179.07 3cbw n LEU 191 N -1.15 -3.40 -4.88 -3.56 4.77 -1.26 -4.82 117.00 102.70 3cbw n LEU 191 Ca 0.01 -0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 54.98 3cbw n LEU 191 Cb 0.54 -2.85 0.06 0.00 -2.33 0.00 0.00 43.42 38.84 3cbw n LEU 191 CO 0.47 0.43 0.75 -1.38 -1.33 0.00 0.00 177.39 176.34 3cbw s HIS 192 N -3.49 3.21 -1.47 -1.77 -3.43 -1.26 -4.17 115.29 102.91 3cbw s HIS 192 Ca 0.14 1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 55.29 3cbw s HIS 192 Cb -0.07 -3.15 0.08 0.00 -1.43 0.00 0.00 32.58 28.02 3cbw s HIS 192 CO 0.78 -1.34 0.77 0.39 -2.00 0.00 0.00 174.74 173.34 3cbw n GLU 193 N -3.10 -4.63 0.27 -0.38 1.02 0.46 -4.84 120.64 109.43 3cbw n GLU 193 Ca 0.07 0.58 0.17 0.00 -0.02 0.00 0.00 57.16 57.97 3cbw n GLU 193 Cb 0.58 -5.41 0.71 0.00 -0.02 0.00 0.00 31.44 27.30 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 -1.61 0.00 -0.01 3.49 -0.00 -1.79 -1.37 114.93 113.64 3cbw h MET 194 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.17 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 0.62 0.00 -0.05 0.27 -0.00 0.00 0.00 176.91 177.76 3cbw n ASN 195 N -3.00 0.78 -4.12 -0.10 6.94 -1.26 -2.28 115.26 112.22 3cbw n ASN 195 Ca 0.00 -1.07 -0.29 0.00 -0.02 0.00 0.00 54.58 53.20 3cbw n ASN 195 Cb 0.28 -0.01 0.19 0.00 -2.36 0.00 0.00 39.78 37.88 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 -2.16 1.79 0.00 4.83 0.00 -0.52 -4.64 107.32 106.63 3cbw s GLY 196 Ca 0.37 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.85 3cbw s GLY 196 CO 0.39 -0.52 1.13 -1.84 0.00 0.00 0.00 173.10 172.26 3cbw n GLU 197 N -3.72 2.92 -0.12 2.90 0.00 -1.26 -2.10 120.64 119.27 3cbw n GLU 197 Ca 0.16 -1.77 -0.23 0.00 0.00 0.00 0.00 57.16 55.31 3cbw n GLU 197 Cb 0.59 -1.14 -0.09 0.00 0.00 0.00 0.00 31.44 30.81 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 0.02 0.41 -2.54 -1.84 2.14 -1.26 -4.78 117.44 109.59 3cbw n TRP 198 Ca 0.06 0.18 -0.36 0.00 2.07 0.00 0.00 57.50 59.45 3cbw n TRP 198 Cb 0.34 -0.96 -0.04 0.00 -0.81 0.00 0.00 31.31 29.84 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 -2.48 3.20 0.58 -2.67 0.08 -1.26 -4.20 117.98 111.22 3cbw s PHE 199 Ca -0.33 1.63 0.27 0.00 0.12 0.00 0.00 56.93 58.62 3cbw s PHE 199 Cb 0.10 -3.12 1.66 0.00 -0.57 0.00 0.00 43.02 41.08 3cbw s PHE 199 CO 0.50 -0.69 2.17 0.11 -0.10 0.00 0.00 175.22 177.21 3cbw h TRP 200 N 2.31 0.00 -0.00 0.36 5.08 -1.49 -2.47 115.95 119.74 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 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3cbw h TRP 200 CO 0.57 0.00 -0.15 -2.67 -1.28 0.00 0.00 178.44 174.92 3cbw n TRP 201 N -3.97 0.00 -1.13 0.12 2.14 -1.26 -4.59 117.44 108.75 3cbw n TRP 201 Ca -0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.56 3cbw n TRP 201 Cb 0.19 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.41 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 1.38 1.89 3.77 -1.67 0.00 -0.93 -4.79 105.19 104.84 3cbw n GLY 202 Ca 0.11 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 3.95 0.40 0.99 1.43 -0.89 -4.94 118.68 119.62 3cbw s LEU 203 Ca 0.00 2.40 0.21 0.00 -1.03 0.00 0.00 54.13 55.71 3cbw s LEU 203 Cb 0.00 -4.27 0.30 0.00 0.03 0.00 0.00 46.19 42.24 3cbw s LEU 203 CO 0.00 -1.10 1.58 0.71 0.23 0.00 0.00 176.35 177.77 3cbw h THR 204 N 1.72 0.27 -3.10 5.49 1.35 -1.87 -3.38 112.91 113.37 3cbw h THR 204 Ca -0.50 -1.35 -0.14 0.00 -0.55 0.00 0.00 66.41 63.88 3cbw h THR 204 Cb 1.26 2.11 -0.22 0.00 -1.73 0.00 0.00 68.15 69.56 3cbw h THR 204 CO 0.59 0.15 -0.35 -0.55 -0.25 0.00 0.00 175.52 175.11 3cbw s SER 205 N -6.27 -0.21 -0.49 5.36 0.15 -1.26 -4.96 113.70 106.01 3cbw s SER 205 Ca 0.06 0.27 -0.46 0.00 0.70 0.00 0.00 55.95 56.52 3cbw s SER 205 Cb 0.06 0.43 -0.20 0.00 -1.71 0.00 0.00 66.02 64.60 3cbw s SER 205 CO 0.69 -0.28 1.67 0.00 1.20 0.00 0.00 173.24 176.52 3cbw n TYR 206 N 2.04 1.63 -1.91 3.44 9.36 -1.26 -1.29 117.16 129.17 3cbw n TYR 206 Ca -0.18 1.07 -0.03 0.00 3.32 0.00 0.00 57.90 62.08 3cbw n TYR 206 Cb 0.57 -2.21 -0.01 0.00 -0.63 0.00 0.00 39.34 37.06 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 4.56 -1.33 -4.46 2.98 3.02 -1.26 -4.87 115.26 113.90 3cbw n ASN 207 Ca 0.35 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.75 3cbw n ASN 207 Cb -0.06 -1.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.69 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 -3.87 3.16 0.17 3.52 2.00 -0.41 -4.99 119.66 119.24 3cbw s GLN 208 Ca 0.00 -0.75 -0.31 0.00 -2.00 0.00 0.00 55.36 52.29 3cbw s GLN 208 Cb 0.00 -4.17 -0.10 0.00 0.80 0.00 0.00 33.01 29.54 3cbw s GLN 208 CO 0.00 -1.63 1.56 0.21 -0.50 0.00 0.00 175.29 174.93 3cbw s LYS 209 N 3.72 4.22 -0.27 1.67 2.20 -1.26 -4.78 119.74 125.24 3cbw s LYS 209 Ca 0.22 2.36 -0.04 0.00 -0.36 0.00 0.00 55.97 58.15 3cbw s LYS 209 Cb -0.17 -3.15 0.09 0.00 -1.51 0.00 0.00 37.83 33.09 3cbw s LYS 209 CO 0.12 -0.60 0.11 0.34 -0.36 0.00 0.00 175.35 174.97 3cbw s ASP 210 N 1.11 3.37 0.34 1.43 -1.08 -1.26 -5.02 116.67 115.56 3cbw s ASP 210 Ca 0.70 -1.20 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 3cbw s ASP 210 Cb -0.44 -0.43 0.68 0.00 -1.46 0.00 0.00 42.92 41.28 3cbw s ASP 210 CO 0.32 -0.41 1.92 0.78 0.52 0.00 0.00 175.17 178.30 3cbw h ASN 211 N 8.35 0.75 -0.42 -0.34 2.35 -2.00 -1.23 115.58 123.04 3cbw h ASN 211 Ca -0.18 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 3cbw h ASN 211 Cb 1.04 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3cbw h ASN 211 CO 0.41 0.46 -0.14 -0.08 -1.65 0.00 0.00 177.43 176.43 3cbw h GLU 212 N 0.84 0.84 -0.69 0.81 4.57 -1.99 -1.93 114.58 117.02 3cbw h GLU 212 Ca 0.37 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3cbw h GLU 212 Cb 0.34 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3cbw h GLU 212 CO -0.14 0.97 0.40 -0.09 -1.18 0.00 0.00 179.01 178.97 3cbw h ARG 213 N 0.66 0.95 -0.39 1.92 9.65 -1.75 -0.03 114.38 125.39 3cbw h ARG 213 Ca 0.10 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3cbw h ARG 213 Cb 0.69 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 3cbw h ARG 213 CO 0.05 0.70 0.17 0.82 2.80 0.00 0.00 179.97 184.51 3cbw h ILE 214 N 0.95 0.94 -0.52 1.20 2.04 -1.13 0.10 117.51 121.09 3cbw h ILE 214 Ca 0.25 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3cbw h ILE 214 Cb 0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3cbw h ILE 214 CO -0.04 0.07 0.24 0.28 0.00 0.00 0.00 178.15 178.69 3cbw h SER 215 N 0.36 0.70 -0.53 1.72 0.02 -0.97 -2.32 113.55 112.53 3cbw h SER 215 Ca 0.17 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3cbw h SER 215 Cb 0.11 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3cbw h SER 215 CO -0.14 0.65 0.02 -0.07 -1.14 0.00 0.00 176.83 176.16 3cbw h LEU 216 N 0.70 0.93 -0.40 5.07 3.38 -0.66 -1.56 115.31 122.77 3cbw h LEU 216 Ca 0.18 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3cbw h LEU 216 Cb 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3cbw h LEU 216 CO -0.02 0.97 0.12 0.22 0.09 0.00 0.00 178.44 179.82 3cbw h TYR 217 N 0.89 0.21 -0.86 1.13 3.20 -0.57 0.09 116.97 121.06 3cbw h TYR 217 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3cbw h TYR 217 Cb 0.49 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3cbw h TYR 217 CO 0.03 0.07 0.50 0.87 -1.64 0.00 0.00 178.16 177.99 3cbw h LYS 218 N 0.27 1.17 -0.92 1.82 1.57 -0.96 0.28 116.57 119.80 3cbw h LYS 218 Ca 0.19 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3cbw h LYS 218 Cb 0.19 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 3cbw h LYS 218 CO -0.21 0.84 0.61 1.96 -0.57 0.00 0.00 179.45 182.07 3cbw h GLN 219 N 1.18 1.18 -0.26 3.15 4.20 -0.78 -0.75 115.11 123.03 3cbw h GLN 219 Ca 0.30 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 3cbw h GLN 219 Cb -0.02 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 3cbw h GLN 219 CO -0.05 0.78 -0.09 1.25 -0.67 0.00 0.00 178.83 180.05 3cbw h LEU 220 N 1.21 0.52 -0.48 1.46 5.85 -0.05 0.47 115.31 124.30 3cbw h LEU 220 Ca 0.35 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3cbw h LEU 220 Cb -0.09 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3cbw h LEU 220 CO -0.09 0.79 0.29 0.22 -0.34 0.00 0.00 178.44 179.30 3cbw h TYR 221 N 0.25 0.53 -0.14 1.25 3.20 -0.77 -1.25 116.97 120.05 3cbw h TYR 221 Ca 0.06 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3cbw h TYR 221 Cb 0.57 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3cbw h TYR 221 CO 0.06 0.31 -0.39 0.87 -1.64 0.00 0.00 178.16 177.36 3cbw h LYS 222 N 0.57 0.30 -0.33 1.82 1.57 -1.01 0.73 116.57 120.23 3cbw h LYS 222 Ca 0.19 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cbw h LYS 222 Cb 0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3cbw h LYS 222 CO -0.09 0.65 0.20 -0.22 -0.57 0.00 0.00 179.45 179.42 3cbw h LYS 223 N 0.25 0.44 -0.40 3.15 3.64 -0.45 0.12 116.57 123.33 3cbw h LYS 223 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3cbw h LYS 223 Cb 0.81 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3cbw h LYS 223 CO 0.06 0.33 0.16 0.82 -2.27 0.00 0.00 179.45 178.55 3cbw h ILE 224 N 0.42 1.20 -0.34 2.00 2.04 -0.79 -0.28 117.51 121.76 3cbw h ILE 224 Ca 0.12 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3cbw h ILE 224 Cb -0.00 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3cbw h ILE 224 CO -0.02 0.22 0.05 0.22 0.00 0.00 0.00 178.15 178.62 3cbw h TYR 225 N 0.50 0.08 -0.71 1.37 3.20 -0.59 -0.08 116.97 120.74 3cbw h TYR 225 Ca 0.13 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3cbw h TYR 225 Cb 0.19 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3cbw h TYR 225 CO -0.00 0.00 0.16 0.45 -1.64 0.00 0.00 178.16 177.14 3cbw h HIS 226 N 0.17 1.20 0.22 -3.82 3.86 -0.60 0.63 115.15 116.81 3cbw h HIS 226 Ca 0.16 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3cbw h HIS 226 Cb 0.19 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3cbw h HIS 226 CO -0.19 0.98 -0.11 -0.92 0.86 0.00 0.00 177.93 178.54 3cbw h TYR 227 N 1.08 -0.28 -0.43 2.45 3.20 -0.72 0.45 116.97 122.73 3cbw h TYR 227 Ca 0.22 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3cbw h TYR 227 Cb 0.39 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3cbw h TYR 227 CO 0.03 -0.12 -0.02 0.52 -1.64 0.00 0.00 178.16 176.93 3cbw h MET 228 N -0.38 0.76 0.00 1.82 2.86 -0.89 -0.46 114.93 118.65 3cbw h MET 228 Ca -0.03 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3cbw h MET 228 Cb 0.29 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3cbw h MET 228 CO 0.05 0.85 -0.49 1.15 1.06 0.00 0.00 176.91 179.53 3cbw h THR 229 N 0.60 1.19 0.00 2.22 2.02 -0.89 -0.47 112.91 117.59 3cbw h THR 229 Ca 0.12 -2.07 -0.09 0.00 0.77 0.00 0.00 66.41 65.14 3cbw h THR 229 Cb 0.52 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3cbw h THR 229 CO 0.03 0.40 -0.61 0.44 0.37 0.00 0.00 175.52 176.15 3cbw h ASP 230 N -1.00 0.00 -0.32 4.18 3.32 -1.10 -2.43 116.42 119.07 3cbw h ASP 230 Ca -0.13 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 3cbw h ASP 230 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3cbw h ASP 230 CO -0.08 1.04 0.02 0.74 -1.72 0.00 0.00 179.24 179.24 3cbw h THR 231 N -1.00 1.25 -0.00 0.35 2.02 -1.09 -3.29 112.91 111.14 3cbw h THR 231 Ca -0.13 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3cbw h THR 231 Cb 0.82 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3cbw h THR 231 CO -0.08 0.29 -0.85 0.54 0.37 0.00 0.00 175.52 175.80 3cbw n ARG 232 N -4.57 0.39 -2.25 6.66 5.12 -0.20 -4.98 116.66 116.83 3cbw n ARG 232 Ca -0.02 -0.27 -0.19 0.00 -1.93 0.00 0.00 57.85 55.44 3cbw n ARG 232 Cb 0.24 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.47 -0.10 3.59 -0.13 0.00 -0.92 -4.92 105.19 104.19 3cbw n GLY 233 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.29 3.48 -0.07 0.99 1.43 -0.20 -4.85 118.68 114.18 3cbw s LEU 234 Ca 0.00 0.38 0.15 0.00 -1.03 0.00 0.00 54.13 53.62 3cbw s LEU 234 Cb 0.00 -3.25 0.48 0.00 0.03 0.00 0.00 46.19 43.46 3cbw s LEU 234 CO 0.00 -1.54 1.41 0.47 0.23 0.00 0.00 176.35 176.92 3cbw n ASP 235 N 8.92 3.67 -0.36 2.29 8.00 -1.26 -4.36 116.55 133.45 3cbw n ASP 235 Ca 0.12 -2.33 0.05 0.00 0.71 0.00 0.00 54.79 53.34 3cbw n ASP 235 Cb 0.49 -0.41 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.53 0.30 -3.74 1.24 1.44 -1.26 -0.31 115.22 113.43 3cbw n HIS 236 Ca 0.18 -0.69 -0.35 0.00 -2.01 0.00 0.00 57.72 54.85 3cbw n HIS 236 Cb 0.66 -0.12 -0.08 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.79 4.24 -0.24 2.39 1.43 -1.26 -1.01 118.68 122.44 3cbw s LEU 237 Ca 0.22 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.54 3cbw s LEU 237 Cb 0.16 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 3cbw s LEU 237 CO 0.06 0.21 0.03 -0.63 0.23 0.00 0.00 176.35 176.26 3cbw s ILE 238 N 0.12 4.01 -0.16 -0.59 1.01 -0.06 -4.91 121.20 120.62 3cbw s ILE 238 Ca 0.10 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 3cbw s ILE 238 Cb -0.11 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3cbw s ILE 238 CO -0.01 0.36 0.54 0.26 0.00 0.00 0.00 174.94 176.10 3cbw s TRP 239 N 1.57 3.43 -0.15 3.97 0.52 -1.26 -0.29 118.94 126.73 3cbw s TRP 239 Ca 0.06 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.06 3cbw s TRP 239 Cb -0.15 -2.67 0.00 0.00 -1.15 0.00 0.00 33.47 29.51 3cbw s TRP 239 CO 0.01 -0.02 -0.18 0.08 0.02 0.00 0.00 176.95 176.86 3cbw s VAL 240 N 1.32 2.40 -0.26 4.03 1.01 -0.08 -0.43 120.40 128.39 3cbw s VAL 240 Ca 0.26 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3cbw s VAL 240 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3cbw s VAL 240 CO 0.11 0.53 0.10 -0.47 0.00 0.00 0.00 175.10 175.36 3cbw s TYR 241 N 0.81 3.12 -0.47 5.22 5.04 -0.34 -4.12 117.35 126.61 3cbw s TYR 241 Ca -0.06 -0.31 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 3cbw s TYR 241 Cb -0.15 -2.27 0.18 0.00 0.35 0.00 0.00 41.96 40.07 3cbw s TYR 241 CO -0.01 -0.32 0.40 0.43 -1.34 0.00 0.00 175.55 174.71 3cbw n SER 242 N 4.95 0.34 -4.72 4.32 7.64 -1.26 -0.98 113.62 123.92 3cbw n SER 242 Ca -0.16 -2.59 -0.31 0.00 1.01 0.00 0.00 58.87 56.83 3cbw n SER 242 Cb 0.51 -0.60 0.13 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.42 1.62 0.13 1.43 0.04 -1.21 -0.41 135.00 136.18 3cbw s PRO 243 Ca 0.32 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3cbw s PRO 243 Cb 0.04 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 3cbw s PRO 243 CO -0.18 -2.13 1.08 0.34 0.04 0.00 0.00 177.00 176.15 3cbw s ASP 244 N -3.08 7.29 0.47 6.66 2.15 -1.26 -1.45 116.67 127.45 3cbw s ASP 244 Ca 0.64 1.98 0.32 0.00 0.43 0.00 0.00 52.55 55.92 3cbw s ASP 244 Cb -0.20 -2.59 1.42 0.00 -0.30 0.00 0.00 42.92 41.25 3cbw s ASP 244 CO 0.57 -0.24 1.95 0.00 -0.17 0.00 0.00 175.17 177.28 3cbw h ALA 245 N 5.64 1.00 -0.42 3.66 0.00 -1.37 -3.12 119.26 124.66 3cbw h ALA 245 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3cbw h ALA 245 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cbw h ALA 245 CO 0.74 0.00 0.00 0.09 0.00 0.00 0.00 179.25 180.08 3cbw n ASN 246 N -2.79 4.48 -4.25 0.00 3.02 -1.26 -4.34 115.26 110.11 3cbw n ASN 246 Ca 0.00 -2.80 -0.14 0.00 -0.03 0.00 0.00 54.58 51.61 3cbw n ASN 246 Cb 0.23 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.48 1.07 1.06 3.52 1.81 -1.18 -5.09 118.95 117.66 3cbw s ARG 247 Ca 0.45 -1.45 -0.18 0.00 -1.72 0.00 0.00 55.73 52.84 3cbw s ARG 247 Cb 0.34 -0.65 0.25 0.00 -0.45 0.00 0.00 34.95 34.44 3cbw s ARG 247 CO 0.14 0.08 1.29 -0.51 -0.68 0.00 0.00 175.30 175.63 3cbw s ASP 248 N -3.14 2.22 -1.12 0.23 1.01 -1.26 -4.53 116.67 110.08 3cbw s ASP 248 Ca 0.16 0.24 -0.02 0.00 0.71 0.00 0.00 52.55 53.65 3cbw s ASP 248 Cb 0.02 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.71 3cbw s ASP 248 CO 0.01 -3.29 0.22 0.49 0.21 0.00 0.00 175.17 172.81 3cbw n PHE 249 N -4.13 -1.02 0.21 4.23 3.72 -1.26 -4.82 117.46 114.39 3cbw n PHE 249 Ca 0.16 0.19 0.06 0.00 -0.05 0.00 0.00 57.45 57.81 3cbw n PHE 249 Cb 0.59 -3.19 0.55 0.00 -0.94 0.00 0.00 39.48 36.49 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 -0.50 0.09 0.00 -1.08 1.57 -1.92 -2.52 116.57 112.20 3cbw h LYS 250 Ca -0.35 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3cbw h LYS 250 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3cbw h LYS 250 CO 0.39 0.13 -1.23 0.25 -0.57 0.00 0.00 179.45 178.42 3cbw n THR 251 N -4.44 0.00 0.22 -0.16 -2.24 -1.26 -4.55 114.28 101.85 3cbw n THR 251 Ca -0.02 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 3cbw n THR 251 Cb 0.15 0.62 0.51 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.00 0.23 3.42 3.32 -1.84 -2.40 116.42 119.14 3cbw h ASP 252 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cbw h ASP 252 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3cbw h ASP 252 CO 0.00 0.19 -0.08 0.49 -1.72 0.00 0.00 179.24 178.12 3cbw n PHE 253 N -4.28 0.00 -1.67 4.55 3.72 -1.25 -4.91 117.46 113.62 3cbw n PHE 253 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 3cbw n PHE 253 Cb 0.25 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3cbw n PHE 253 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3cbw n TYR 254 N -0.75 2.45 0.77 1.38 9.36 -0.91 -4.68 117.16 124.78 3cbw n TYR 254 Ca 0.17 -0.23 0.11 0.00 3.32 0.00 0.00 57.90 61.27 3cbw n TYR 254 Cb 0.26 -2.75 0.48 0.00 -0.63 0.00 0.00 39.34 36.70 3cbw n TYR 254 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3cbw n PRO 255 N 7.16 0.00 0.00 2.98 -0.04 -1.26 -4.98 135.00 138.86 3cbw n PRO 255 Ca 0.21 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3cbw n PRO 255 Cb 0.36 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3cbw n PRO 255 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cbw n GLY 256 N 0.81 3.54 0.27 0.55 0.00 -1.26 -4.81 105.19 104.30 3cbw n GLY 256 Ca 0.05 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 2.06 -0.13 4.61 0.00 -1.93 -1.33 119.26 122.53 3cbw h ALA 257 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cbw h ALA 257 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cbw h ALA 257 CO 0.00 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 3cbw n SER 258 N -4.52 1.17 -0.02 0.00 3.41 -1.26 -3.95 113.62 108.45 3cbw n SER 258 Ca -0.02 -1.65 0.01 0.00 -0.26 0.00 0.00 58.87 56.95 3cbw n SER 258 Cb 0.15 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.00 0.00 -4.02 7.33 4.01 -0.51 -4.76 117.16 119.22 3cbw n TYR 259 Ca 0.15 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 3cbw n TYR 259 Cb 0.24 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.66 0.35 -0.17 -0.72 1.01 -1.20 -4.86 120.40 114.15 3cbw s VAL 260 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3cbw s VAL 260 Cb 0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 36.38 35.74 3cbw s VAL 260 CO 0.03 0.19 0.16 0.47 0.00 0.00 0.00 175.10 175.95 3cbw n ASP 261 N 4.19 2.06 -3.97 3.32 8.00 0.42 -4.84 116.55 125.72 3cbw n ASP 261 Ca -0.24 0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.15 3cbw n ASP 261 Cb 0.51 -0.69 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.55 0.67 0.19 0.53 1.01 -0.58 -4.16 121.20 116.31 3cbw s ILE 262 Ca -0.27 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3cbw s ILE 262 Cb 0.07 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3cbw s ILE 262 CO 0.71 0.22 0.14 0.68 0.00 0.00 0.00 174.94 176.69 3cbw s VAL 263 N 0.28 4.43 0.09 2.92 -7.23 -0.37 -1.20 120.40 119.32 3cbw s VAL 263 Ca -0.04 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 3cbw s VAL 263 Cb -0.09 -3.29 0.09 0.00 0.56 0.00 0.00 36.38 33.65 3cbw s VAL 263 CO 0.00 -0.17 1.11 -0.83 -0.31 0.00 0.00 175.10 174.90 3cbw s GLY 264 N -3.27 -0.20 -0.08 2.32 0.00 -0.15 -1.13 107.32 104.80 3cbw s GLY 264 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3cbw s GLY 264 CO 0.23 1.04 -0.15 1.08 0.00 0.00 0.00 173.10 175.31 3cbw s LEU 265 N -3.13 2.67 -0.49 0.66 1.43 -0.79 -3.30 118.68 115.73 3cbw s LEU 265 Ca 0.16 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 3cbw s LEU 265 Cb 0.00 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.70 3cbw s LEU 265 CO 0.01 0.26 0.78 -1.81 0.23 0.00 0.00 176.35 175.82 3cbw s ASP 266 N -0.25 6.34 -0.28 2.29 1.11 -0.52 -1.26 116.67 124.10 3cbw s ASP 266 Ca 0.01 -0.39 0.02 0.00 0.18 0.00 0.00 52.55 52.37 3cbw s ASP 266 Cb -0.13 -2.37 0.06 0.00 1.07 0.00 0.00 42.92 41.55 3cbw s ASP 266 CO 0.03 -0.99 -0.06 0.00 1.18 0.00 0.00 175.17 175.33 3cbw s ALA 267 N 3.29 2.67 -0.22 5.23 0.00 0.53 -1.02 121.76 132.24 3cbw s ALA 267 Ca 0.26 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 3cbw s ALA 267 Cb -0.14 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 3cbw s ALA 267 CO 0.19 -1.28 -0.05 0.71 0.00 0.00 0.00 175.76 175.33 3cbw s TYR 268 N 1.12 2.96 0.18 0.00 1.51 -1.26 -2.42 117.35 119.43 3cbw s TYR 268 Ca -0.06 -1.00 -0.16 0.00 -1.01 0.00 0.00 57.07 54.84 3cbw s TYR 268 Cb -0.20 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3cbw s TYR 268 CO -0.04 -0.57 0.45 -0.59 -1.11 0.00 0.00 175.55 173.69 3cbw s PHE 269 N 1.46 -0.04 -0.10 2.71 -0.12 -0.89 -4.77 117.98 116.23 3cbw s PHE 269 Ca 0.05 -0.30 0.14 0.00 -0.05 0.00 0.00 56.93 56.77 3cbw s PHE 269 Cb -0.14 0.28 -0.20 0.00 -0.63 0.00 0.00 43.02 42.33 3cbw s PHE 269 CO -0.04 -0.84 0.16 1.04 -0.05 0.00 0.00 175.22 175.49 3cbw n GLN 270 N -0.29 1.22 -4.03 1.99 1.13 -1.26 -3.88 117.38 112.26 3cbw n GLN 270 Ca -0.11 -0.06 -0.32 0.00 -1.94 0.00 0.00 57.00 54.57 3cbw n GLN 270 Cb 0.63 -1.37 -0.15 0.00 0.11 0.00 0.00 30.24 29.47 3cbw n GLN 270 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3cbw s ASP 271 N -4.38 4.63 0.56 1.08 2.15 -1.26 -4.86 116.67 114.59 3cbw s ASP 271 Ca -0.06 -1.64 0.28 0.00 0.43 0.00 0.00 52.55 51.55 3cbw s ASP 271 Cb 0.06 -1.60 1.66 0.00 -0.30 0.00 0.00 42.92 42.74 3cbw s ASP 271 CO 0.60 -0.27 2.18 0.00 -0.17 0.00 0.00 175.17 177.51 3cbw h ALA 272 N 7.76 1.44 -0.00 3.66 0.00 -1.91 -1.74 119.26 128.46 3cbw h ALA 272 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3cbw h ALA 272 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cbw h ALA 272 CO 0.50 0.06 -0.05 0.66 0.00 0.00 0.00 179.25 180.42 3cbw n TYR 273 N -3.78 0.00 -0.46 0.00 4.02 -1.26 -3.86 117.16 111.82 3cbw n TYR 273 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 3cbw n TYR 273 Cb 0.15 -0.21 0.20 0.00 -0.02 0.00 0.00 39.34 39.46 3cbw n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3cbw n SER 274 N -1.10 3.38 -4.71 7.72 3.41 -0.65 -5.00 113.62 116.66 3cbw n SER 274 Ca 0.15 -2.33 -0.42 0.00 -0.26 0.00 0.00 58.87 56.01 3cbw n SER 274 Cb 0.24 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 3cbw n SER 274 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cbw s ILE 275 N -1.60 3.50 0.08 -1.33 1.01 -1.25 -5.01 121.20 116.59 3cbw s ILE 275 Ca 0.31 1.05 -0.09 0.00 0.00 0.00 0.00 60.65 61.92 3cbw s ILE 275 Cb 0.20 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 3cbw s ILE 275 CO 0.15 0.07 0.39 0.20 0.00 0.00 0.00 174.94 175.75 3cbw s ASN 276 N 1.24 6.62 0.00 3.58 0.02 -1.26 -4.66 114.94 120.48 3cbw s ASN 276 Ca 0.63 0.76 0.00 0.00 -1.02 0.00 0.00 52.86 53.24 3cbw s ASN 276 Cb -0.35 -2.17 0.00 0.00 0.02 0.00 0.00 41.25 38.76 3cbw s ASN 276 CO 0.29 0.17 0.00 0.61 0.02 0.00 0.00 177.10 178.19 3cbw n GLY 277 N 0.86 1.90 0.17 0.66 0.00 -1.26 -4.73 105.19 102.79 3cbw n GLY 277 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 -0.34 1.61 3.20 -1.98 -1.14 116.97 117.99 3cbw h TYR 278 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3cbw h TYR 278 Cb 0.00 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3cbw h TYR 278 CO 0.00 -0.20 -0.11 -0.44 -1.64 0.00 0.00 178.16 175.77 3cbw h ASP 279 N -0.30 0.57 -0.65 -2.11 3.32 -1.94 -0.57 116.42 114.73 3cbw h ASP 279 Ca -0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 3cbw h ASP 279 Cb 0.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3cbw h ASP 279 CO -0.01 0.71 0.39 1.56 -1.72 0.00 0.00 179.24 180.17 3cbw h GLN 280 N 0.54 0.88 0.19 3.56 4.20 -1.92 -2.97 115.11 119.57 3cbw h GLN 280 Ca 0.10 -0.08 -0.31 0.00 0.06 0.00 0.00 58.65 58.42 3cbw h GLN 280 Cb 0.51 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.13 3cbw h GLN 280 CO 0.03 0.62 -1.35 -0.07 -0.67 0.00 0.00 178.83 177.39 3cbw h LEU 281 N 0.88 0.69 -2.11 1.46 3.38 -0.82 -3.23 115.31 115.57 3cbw h LEU 281 Ca 0.23 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3cbw h LEU 281 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3cbw h LEU 281 CO -0.04 1.56 -0.07 0.71 0.09 0.00 0.00 178.44 180.68 3cbw h THR 282 N 0.14 0.38 0.00 0.22 1.35 -1.16 -1.04 112.91 112.81 3cbw h THR 282 Ca -0.20 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3cbw h THR 282 Cb 2.05 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3cbw h THR 282 CO 0.24 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.58 3cbw h ALA 283 N 1.93 1.00 0.00 6.62 0.00 -1.54 -1.87 119.26 125.40 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 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 -2.64 0.00 -3.30 0.00 4.77 -0.39 -4.91 117.00 110.53 3cbw n LEU 284 Ca -0.01 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 3cbw n LEU 284 Cb 0.15 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3cbw n LEU 284 CO 0.18 -0.05 0.19 -3.20 -1.33 0.00 0.00 177.39 173.19 3cbw n ASN 285 N -1.26 -4.90 -4.26 -1.43 5.15 -0.70 -5.02 115.26 102.83 3cbw n ASN 285 Ca 0.12 -0.51 -0.20 0.00 -0.60 0.00 0.00 54.58 53.38 3cbw n ASN 285 Cb 0.18 -4.68 -0.12 0.00 -0.53 0.00 0.00 39.78 34.64 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 -5.93 1.06 0.52 1.20 -0.14 -1.26 -5.13 119.74 110.05 3cbw s LYS 286 Ca 0.39 -1.20 -0.22 0.00 -1.36 0.00 0.00 55.97 53.58 3cbw s LYS 286 Cb -0.17 -1.10 -0.07 0.00 -1.68 0.00 0.00 37.83 34.81 3cbw s LYS 286 CO 0.67 0.23 1.11 -2.30 -0.76 0.00 0.00 175.35 174.30 3cbw n PRO 287 N 0.78 1.34 -4.88 -1.68 -0.02 -1.26 -4.70 135.00 124.58 3cbw n PRO 287 Ca -0.17 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.48 3cbw n PRO 287 Cb 0.55 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.36 2.63 0.04 6.00 5.36 -1.26 -1.23 117.98 128.16 3cbw s PHE 288 Ca 0.69 -0.21 -0.00 0.00 -0.96 0.00 0.00 56.93 56.45 3cbw s PHE 288 Cb -0.47 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 3cbw s PHE 288 CO 0.52 0.18 -0.03 0.00 -1.46 0.00 0.00 175.22 174.42 3cbw s ALA 289 N -0.77 0.37 -0.92 11.12 0.00 -0.29 -0.68 121.76 130.60 3cbw s ALA 289 Ca 0.12 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 3cbw s ALA 289 Cb -0.11 0.20 0.10 0.00 0.00 0.00 0.00 23.12 23.31 3cbw s ALA 289 CO 0.02 -0.25 1.21 -0.06 0.00 0.00 0.00 175.76 176.67 3cbw s PHE 290 N -2.71 2.86 0.07 0.00 0.08 -0.26 -1.88 117.98 116.14 3cbw s PHE 290 Ca -0.04 -1.08 0.29 0.00 0.12 0.00 0.00 56.93 56.23 3cbw s PHE 290 Cb -0.01 -4.42 1.13 0.00 -0.57 0.00 0.00 43.02 39.15 3cbw s PHE 290 CO -0.05 -1.66 1.90 1.79 -0.10 0.00 0.00 175.22 177.09 3cbw h THR 291 N 6.15 0.20 -3.15 0.64 1.35 -1.44 -1.31 112.91 115.35 3cbw h THR 291 Ca 0.11 -0.76 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 3cbw h THR 291 Cb 1.03 1.64 -0.24 0.00 -1.73 0.00 0.00 68.15 68.84 3cbw h THR 291 CO 1.22 0.08 -0.41 -1.61 -0.25 0.00 0.00 175.52 174.55 3cbw s GLU 292 N -3.63 0.37 -0.00 4.72 2.02 -1.17 -4.43 118.70 116.58 3cbw s GLU 292 Ca 0.01 0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 3cbw s GLU 292 Cb 0.09 0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.49 3cbw s GLU 292 CO 0.59 -0.06 0.03 0.14 0.02 0.00 0.00 175.26 175.97 3cbw s VAL 293 N -0.22 0.04 -0.10 2.63 -7.23 -0.19 -0.35 120.40 114.99 3cbw s VAL 293 Ca -0.03 -0.36 -0.32 0.00 -1.81 0.00 0.00 61.98 59.45 3cbw s VAL 293 Cb -0.03 -0.17 0.13 0.00 0.56 0.00 0.00 36.38 36.87 3cbw s VAL 293 CO 0.01 -0.20 1.42 -0.83 -0.31 0.00 0.00 175.10 175.19 3cbw s GLY 294 N -0.60 -0.38 0.65 2.32 0.00 -1.01 -1.08 107.32 107.22 3cbw s GLY 294 Ca -0.07 0.62 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 3cbw s GLY 294 CO -0.00 3.18 1.07 2.56 0.00 0.00 0.00 173.10 179.91 3cbw s PRO 295 N -2.01 3.02 0.00 2.90 0.04 -1.26 -2.09 135.00 135.60 3cbw s PRO 295 Ca 0.23 1.14 0.24 0.00 0.04 0.00 0.00 61.00 62.64 3cbw s PRO 295 Cb 0.04 -1.99 1.14 0.00 0.04 0.00 0.00 34.50 33.73 3cbw s PRO 295 CO -0.05 -1.05 1.78 1.04 0.04 0.00 0.00 177.00 178.76 3cbw n GLN 296 N -2.61 0.23 -3.22 4.56 6.02 -1.25 -4.71 117.38 116.41 3cbw n GLN 296 Ca 0.09 0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.19 3cbw n GLN 296 Cb 0.53 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3cbw n GLN 296 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3cbw s PHE 302 N -2.71 -0.33 -0.66 1.08 5.36 -1.26 -5.06 117.98 114.39 3cbw s PHE 302 Ca 0.19 0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 56.48 3cbw s PHE 302 Cb 0.16 0.16 0.15 0.00 -0.34 0.00 0.00 43.02 43.15 3cbw s PHE 302 CO 0.39 -0.17 0.67 0.34 -1.46 0.00 0.00 175.22 174.98 3cbw s ASP 303 N 2.50 6.39 0.44 6.13 -1.08 -1.26 -3.63 116.67 126.17 3cbw s ASP 303 Ca -0.02 -2.00 0.11 0.00 -0.52 0.00 0.00 52.55 50.13 3cbw s ASP 303 Cb -0.05 -2.24 1.01 0.00 -1.46 0.00 0.00 42.92 40.17 3cbw s ASP 303 CO -0.14 -0.85 2.05 1.88 0.52 0.00 0.00 175.17 178.64 3cbw h TYR 304 N 8.62 0.37 -0.28 -5.34 0.05 -1.49 -1.69 116.97 117.21 3cbw h TYR 304 Ca -0.15 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 3cbw h TYR 304 Cb 1.07 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 3cbw h TYR 304 CO 0.88 0.22 -0.03 1.03 -1.05 0.00 0.00 178.16 179.20 3cbw h SER 305 N 0.39 0.52 -0.52 3.88 0.87 -1.74 -0.83 113.55 116.12 3cbw h SER 305 Ca 0.16 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 3cbw h SER 305 Cb 0.16 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3cbw h SER 305 CO -0.04 0.73 0.23 -0.07 -0.53 0.00 0.00 176.83 177.15 3cbw h LEU 306 N 0.29 0.73 -0.05 2.23 3.38 -1.82 -1.97 115.31 118.10 3cbw h LEU 306 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cbw h LEU 306 Cb 0.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3cbw h LEU 306 CO 0.02 0.66 0.02 0.15 0.09 0.00 0.00 178.44 179.39 3cbw h PHE 307 N 0.80 0.07 -0.30 1.13 3.57 -0.98 0.39 116.94 121.63 3cbw h PHE 307 Ca 0.19 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3cbw h PHE 307 Cb 0.15 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3cbw h PHE 307 CO 0.01 0.17 -0.11 0.97 -2.23 0.00 0.00 178.31 177.13 3cbw h ILE 308 N -0.05 1.22 -0.21 1.41 6.09 -1.04 -0.30 117.51 124.64 3cbw h ILE 308 Ca 0.02 -0.98 -0.00 0.00 -1.37 0.00 0.00 64.86 62.53 3cbw h ILE 308 Cb 0.13 1.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3cbw h ILE 308 CO -0.00 0.32 0.12 0.78 -3.07 0.00 0.00 178.15 176.30 3cbw h ASN 309 N 0.46 0.25 -0.56 2.19 -0.26 -1.15 -2.16 115.58 114.36 3cbw h ASN 309 Ca 0.09 -0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.70 3cbw h ASN 309 Cb 0.47 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 3cbw h ASN 309 CO 0.03 0.24 0.10 0.00 -1.06 0.00 0.00 177.43 176.74 3cbw h ALA 310 N 1.02 1.06 -0.24 -0.83 0.00 -0.55 -2.53 119.26 117.18 3cbw h ALA 310 Ca 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3cbw h ALA 310 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3cbw h ALA 310 CO -0.01 0.61 0.06 0.82 0.00 0.00 0.00 179.25 180.73 3cbw h ILE 311 N 0.91 0.90 -0.74 0.00 2.04 -0.85 0.26 117.51 120.02 3cbw h ILE 311 Ca 0.19 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3cbw h ILE 311 Cb 0.39 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3cbw h ILE 311 CO 0.01 0.03 0.42 0.11 0.00 0.00 0.00 178.15 178.72 3cbw h LYS 312 N 0.16 1.01 0.05 2.37 1.57 -1.04 -0.79 116.57 119.91 3cbw h LYS 312 Ca 0.11 -0.10 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3cbw h LYS 312 Cb 0.10 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3cbw h LYS 312 CO -0.14 0.73 -2.24 1.04 -0.57 0.00 0.00 179.45 178.27 3cbw n GLN 313 N -4.37 0.70 -0.05 3.15 6.02 -0.99 -4.52 117.38 117.33 3cbw n GLN 313 Ca 0.08 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.21 3cbw n GLN 313 Cb 0.09 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.65 3cbw n GLN 313 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cbw n LYS 314 N -3.32 2.30 -2.54 -1.09 4.76 0.85 -4.77 118.16 114.35 3cbw n LYS 314 Ca -0.38 -0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 54.86 3cbw n LYS 314 Cb 1.03 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.97 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 -2.39 2.51 0.29 2.13 4.01 -0.63 -4.95 117.16 118.13 3cbw n TYR 315 Ca -0.17 -2.95 0.18 0.00 -0.16 0.00 0.00 57.90 54.80 3cbw n TYR 315 Cb 0.83 -0.20 0.81 0.00 -0.31 0.00 0.00 39.34 40.46 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 2.73 0.00 0.00 -0.72 0.13 -1.42 -1.95 132.00 130.77 3cbw h PRO 316 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3cbw h PRO 316 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3cbw h PRO 316 CO 0.70 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 180.12 3cbw n LYS 317 N -3.12 0.48 -1.68 0.86 5.02 -1.26 -4.83 118.16 113.63 3cbw n LYS 317 Ca -0.00 0.04 -0.47 0.00 -2.02 0.00 0.00 58.31 55.85 3cbw n LYS 317 Cb 0.25 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.21 0.35 0.20 -0.18 -1.04 -0.73 -4.20 114.28 107.47 3cbw n THR 318 Ca 0.14 -0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.19 3cbw n THR 318 Cb 0.17 -1.74 -0.16 0.00 -1.82 0.00 0.00 70.33 66.78 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 4.46 0.00 -3.50 12.58 -5.35 0.15 -4.55 119.36 123.15 3cbw n ILE 319 Ca 0.20 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 3cbw n ILE 319 Cb 0.29 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 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 -3.41 -0.46 0.11 4.28 -0.85 -1.26 -0.68 117.35 115.07 3cbw s TYR 320 Ca -0.05 0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.77 3cbw s TYR 320 Cb 0.14 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 3cbw s TYR 320 CO 0.90 -0.89 -0.13 -0.59 -1.52 0.00 0.00 175.55 173.32 3cbw s PHE 321 N -3.72 1.29 -0.32 -3.49 -0.12 -0.60 -1.11 117.98 109.91 3cbw s PHE 321 Ca 0.03 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 3cbw s PHE 321 Cb -0.02 -0.69 0.10 0.00 -0.63 0.00 0.00 43.02 41.78 3cbw s PHE 321 CO -0.09 0.09 0.08 -1.17 -0.05 0.00 0.00 175.22 174.08 3cbw s LEU 322 N -2.30 3.31 0.22 -1.99 2.96 -0.49 -1.15 118.68 119.25 3cbw s LEU 322 Ca 0.06 -1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 51.80 3cbw s LEU 322 Cb -0.05 -1.19 -0.09 0.00 0.50 0.00 0.00 46.19 45.36 3cbw s LEU 322 CO 0.02 -0.40 1.25 0.00 -1.32 0.00 0.00 176.35 175.90 3cbw s ALA 323 N 1.30 3.48 1.05 5.97 0.00 -0.37 -1.02 121.76 132.18 3cbw s ALA 323 Ca 0.10 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3cbw s ALA 323 Cb -0.18 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 19.72 3cbw s ALA 323 CO -0.18 -0.45 1.13 -0.46 0.00 0.00 0.00 175.76 175.80 3cbw s TRP 324 N -0.28 1.55 -1.00 0.00 -0.00 -0.24 -0.88 118.94 118.08 3cbw s TRP 324 Ca 0.53 0.71 -0.13 0.00 -0.00 0.00 0.00 56.10 57.20 3cbw s TRP 324 Cb -0.35 -3.44 0.21 0.00 -0.00 0.00 0.00 33.47 29.89 3cbw s TRP 324 CO 0.40 -3.14 1.06 0.54 -0.00 0.00 0.00 176.95 175.81 3cbw s ASN 325 N -3.88 6.97 0.00 5.86 4.22 -1.26 -4.62 114.94 122.23 3cbw s ASN 325 Ca 0.68 -2.91 0.00 0.00 -2.14 0.00 0.00 52.86 48.49 3cbw s ASN 325 Cb -0.13 -2.28 0.00 0.00 1.28 0.00 0.00 41.25 40.12 3cbw s ASN 325 CO 0.56 -0.61 0.00 0.29 -2.04 0.00 0.00 177.10 175.30 3cbw n LYS 334 N 4.35 0.00 -0.98 3.55 5.02 -1.24 -5.11 118.16 123.75 3cbw n LYS 334 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3cbw n LYS 334 Cb 0.44 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 3cbw n LYS 334 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cbw n GLY 335 N 0.55 0.39 0.30 0.72 0.00 -1.26 -1.44 105.19 104.45 3cbw n GLY 335 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 1.01 -0.52 4.61 0.00 -1.92 -1.60 119.26 120.85 3cbw h ALA 336 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cbw h ALA 336 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3cbw h ALA 336 CO 0.00 0.35 0.33 0.77 0.00 0.00 0.00 179.25 180.70 3cbw h SER 337 N 1.01 0.61 -0.50 0.00 0.02 -1.91 -0.42 113.55 112.36 3cbw h SER 337 Ca 0.30 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 3cbw h SER 337 Cb -0.05 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 3cbw h SER 337 CO -0.09 0.46 0.21 0.00 -1.14 0.00 0.00 176.83 176.27 3cbw h ALA 338 N 1.17 0.62 0.23 3.77 0.00 -1.80 0.14 119.26 123.39 3cbw h ALA 338 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3cbw h ALA 338 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cbw h ALA 338 CO -0.04 -0.17 -0.11 1.25 0.00 0.00 0.00 179.25 180.18 3cbw h LEU 339 N 0.41 -0.26 -1.94 0.00 5.85 -1.07 -1.41 115.31 116.90 3cbw h LEU 339 Ca 0.23 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3cbw h LEU 339 Cb 0.21 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3cbw h LEU 339 CO -0.21 -0.01 -0.10 1.88 -0.34 0.00 0.00 178.44 179.67 3cbw h TYR 340 N -0.51 0.00 -0.01 1.25 -1.99 -0.80 -2.09 116.97 112.83 3cbw h TYR 340 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3cbw h TYR 340 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 3cbw h TYR 340 CO -0.01 0.10 -0.47 0.72 -0.00 0.00 0.00 178.16 178.50 3cbw n HIS 341 N -4.14 0.00 -1.73 4.88 8.25 0.45 -4.84 115.22 118.09 3cbw n HIS 341 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 3cbw n HIS 341 Cb 0.18 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.73 3.08 0.27 0.41 -0.08 -0.54 -4.87 116.55 114.08 3cbw n ASP 342 Ca 0.09 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.69 3cbw n ASP 342 Cb 0.38 -1.55 0.86 0.00 2.34 0.00 0.00 41.12 43.15 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 2.49 0.00 1.37 1.67 4.64 -1.90 -1.32 113.55 120.50 3cbw h SER 343 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 3cbw h SER 343 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3cbw h SER 343 CO 0.62 0.00 -0.15 -0.50 -0.87 0.00 0.00 176.83 175.93 3cbw h TRP 344 N 0.00 0.00 -3.35 4.77 4.06 -1.89 0.18 115.95 119.72 3cbw h TRP 344 Ca 0.03 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.41 3cbw h TRP 344 Cb 0.14 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.24 3cbw h TRP 344 CO 0.00 0.15 0.26 0.99 -3.56 0.00 0.00 178.44 176.28 3cbw s THR 345 N -3.40 4.95 -0.26 1.49 2.01 -0.50 -0.10 115.64 119.83 3cbw s THR 345 Ca 0.03 1.59 -0.08 0.00 0.31 0.00 0.00 61.69 63.55 3cbw s THR 345 Cb 0.08 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3cbw s THR 345 CO 0.64 0.13 0.09 -0.22 -0.69 0.00 0.00 174.62 174.57 3cbw s LEU 346 N 1.49 3.53 0.50 4.42 0.20 0.49 -4.68 118.68 124.64 3cbw s LEU 346 Ca 0.39 -0.19 0.07 0.00 0.69 0.00 0.00 54.13 55.09 3cbw s LEU 346 Cb -0.17 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.66 3cbw s LEU 346 CO 0.16 -0.04 0.44 0.20 -0.29 0.00 0.00 176.35 176.83 3cbw s ASN 347 N 1.63 4.83 0.18 3.68 0.01 -1.26 -1.63 114.94 122.38 3cbw s ASN 347 Ca 0.06 -1.01 -0.33 0.00 -0.71 0.00 0.00 52.86 50.87 3cbw s ASN 347 Cb -0.15 0.03 -0.15 0.00 0.41 0.00 0.00 41.25 41.39 3cbw s ASN 347 CO 0.05 -0.97 1.33 1.17 -1.51 0.00 0.00 177.10 177.17 3cbw n LYS 348 N -1.74 1.58 -0.05 -0.60 4.81 -0.32 -1.22 118.16 120.62 3cbw n LYS 348 Ca 0.03 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3cbw n LYS 348 Cb 0.63 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.50 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 2.35 1.27 0.96 3.14 0.00 -0.53 -4.75 105.19 107.62 3cbw n GLY 349 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 2.26 0.04 1.61 1.02 -0.36 -4.26 120.64 118.95 3cbw n GLU 350 Ca 0.00 -2.08 -0.20 0.00 -0.02 0.00 0.00 57.16 54.86 3cbw n GLU 350 Cb 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 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 3.73 1.43 -2.84 -3.67 2.04 -1.79 -3.46 117.51 112.97 3cbw h ILE 351 Ca 0.00 -2.35 -0.66 0.00 1.00 0.00 0.00 64.86 62.85 3cbw h ILE 351 Cb 0.87 2.88 -0.08 0.00 -0.74 0.00 0.00 36.82 39.75 3cbw h ILE 351 CO 0.00 0.68 -0.52 0.26 0.00 0.00 0.00 178.15 178.58 3cbw s TRP 352 N -2.83 3.48 -0.69 1.37 0.52 -1.26 -1.49 118.94 118.04 3cbw s TRP 352 Ca -0.13 0.40 -0.01 0.00 0.02 0.00 0.00 56.10 56.39 3cbw s TRP 352 Cb 0.03 -1.87 0.17 0.00 -1.15 0.00 0.00 33.47 30.65 3cbw s TRP 352 CO 0.85 0.66 0.51 1.21 0.02 0.00 0.00 176.95 180.19 3cbw s ASN 353 N -1.28 5.24 1.41 2.95 2.47 0.80 -4.77 114.94 121.76 3cbw s ASN 353 Ca 0.18 -3.24 0.00 0.00 0.42 0.00 0.00 52.86 50.22 3cbw s ASN 353 Cb -0.12 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 3cbw s ASN 353 CO 0.08 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 3cbw n GLY 354 N 2.92 2.87 0.90 1.21 0.00 -1.26 -3.46 105.19 108.37 3cbw n GLY 354 Ca 0.13 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 8.49 2.61 -3.82 1.61 5.68 -1.26 -4.89 116.55 124.98 3cbw n ASP 355 Ca 0.00 -2.04 -0.09 0.00 -0.50 0.00 0.00 54.79 52.16 3cbw n ASP 355 Cb 0.00 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 39.58 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 -0.97 0.00 0.66 -1.12 1.04 -1.22 -5.16 113.70 106.93 3cbw s SER 356 Ca 0.32 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 3cbw s SER 356 Cb 0.17 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 3cbw s SER 356 CO 0.21 -0.81 1.23 -0.76 0.98 0.00 0.00 173.24 174.09 3cbw s LEU 357 N -2.87 3.52 0.66 2.42 1.43 -1.26 -0.14 118.68 122.44 3cbw s LEU 357 Ca 0.07 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 3cbw s LEU 357 Cb 0.04 -4.60 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 3cbw s LEU 357 CO -0.09 -1.95 1.29 0.42 0.23 0.00 0.00 176.35 176.26 3cbw s THR 358 N -1.67 2.02 0.26 5.49 -4.23 -0.56 -4.57 115.64 112.39 3cbw s THR 358 Ca 0.78 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 3cbw s THR 358 Cb -0.32 -2.97 -0.14 0.00 1.34 0.00 0.00 72.50 70.42 3cbw s THR 358 CO 0.39 -0.00 1.22 -2.65 -0.54 0.00 0.00 174.62 173.04 3cbw n PRO 359 N -2.00 1.66 -2.14 3.99 -0.02 -1.26 -4.96 135.00 130.27 3cbw n PRO 359 Ca 0.16 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3cbw n PRO 359 Cb 0.48 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.56 3.04 -0.16 4.25 -1.09 -1.26 -5.04 121.20 120.38 3cbw s ILE 360 Ca 0.64 0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 59.86 3cbw s ILE 360 Cb -0.69 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 3cbw s ILE 360 CO 0.55 0.12 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.66 3cbw s VAL 361 N 0.27 3.95 0.44 2.92 1.01 -1.26 -5.12 120.40 122.60 3cbw s VAL 361 Ca 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3cbw s VAL 361 Cb -0.38 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3cbw s VAL 361 CO 0.38 0.49 0.67 -1.61 0.00 0.00 0.00 175.10 175.03 3cbw s GLU 362 N 0.42 3.20 0.48 2.72 0.41 -1.26 -4.69 118.70 119.99 3cbw s GLU 362 Ca -0.03 -0.35 -0.24 0.00 -0.41 0.00 0.00 54.97 53.94 3cbw s GLU 362 Cb -0.14 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.59 3cbw s GLU 362 CO 0.03 -0.19 1.42 -1.21 -0.49 0.00 0.00 175.26 174.81 3cbw s GLU 363 N -4.55 3.50 0.65 1.61 2.02 -1.26 -4.94 118.70 115.74 3cbw s GLU 363 Ca 0.47 2.38 -0.15 0.00 0.02 0.00 0.00 54.97 57.69 3cbw s GLU 363 Cb -0.10 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 3cbw s GLU 363 CO 0.39 -0.95 1.10 0.20 0.02 0.00 0.00 175.26 176.01 3cbw s GLY 364 N -0.62 2.13 -0.27 -1.39 0.00 -1.26 -5.01 107.32 100.88 3cbw s GLY 364 Ca 0.64 0.50 -0.20 0.00 0.00 0.00 0.00 44.72 45.66 3cbw s GLY 364 CO 0.54 0.85 0.63 0.30 0.00 0.00 0.00 173.10 175.42 3cbw s HIS 365 N -2.39 3.25 -0.01 1.90 0.09 -1.26 -5.05 115.29 111.83 3cbw s HIS 365 Ca 0.66 0.72 0.01 0.00 -0.00 0.00 0.00 55.06 56.45 3cbw s HIS 365 Cb -0.20 -2.90 0.00 0.00 -0.00 0.00 0.00 32.58 29.48 3cbw s HIS 365 CO 0.41 -0.39 -0.03 -3.38 -0.00 0.00 0.00 174.74 171.36 3cbw s HIS 366 N 2.55 0.29 0.19 1.40 0.00 -1.26 -5.16 115.29 113.30 3cbw s HIS 366 Ca 0.26 -0.05 0.08 0.00 -3.00 0.00 0.00 55.06 52.35 3cbw s HIS 366 Cb -0.15 -0.21 -0.04 0.00 -4.00 0.00 0.00 32.58 28.18 3cbw s HIS 366 CO 0.10 -0.02 -0.16 -1.01 -1.00 0.00 0.00 174.74 172.65 3cbw s HIS 367 N 0.04 1.76 0.16 0.38 0.09 -1.26 -5.12 115.29 111.35 3cbw s HIS 367 Ca -0.00 -0.52 -0.32 0.00 -0.00 0.00 0.00 55.06 54.22 3cbw s HIS 367 Cb -0.03 -0.84 -0.10 0.00 -0.00 0.00 0.00 32.58 31.62 3cbw s HIS 367 CO -0.00 0.36 1.55 -1.58 -0.00 0.00 0.00 174.74 175.07 3cbw s HIS 368 N -2.58 3.08 -0.35 1.40 2.46 -1.26 -4.99 115.29 113.05 3cbw s HIS 368 Ca 0.20 0.66 -0.15 0.00 0.47 0.00 0.00 55.06 56.23 3cbw s HIS 368 Cb -0.03 -3.91 -0.01 0.00 -0.13 0.00 0.00 32.58 28.50 3cbw s HIS 368 CO 0.07 -3.33 0.37 -1.01 -2.47 0.00 0.00 174.74 168.37 3cbw s HIS 369 N 1.12 3.21 -2.00 3.88 3.76 -1.26 -5.37 115.29 118.62 3cbw s HIS 369 Ca 0.69 -0.03 0.08 0.00 -0.15 0.00 0.00 55.06 55.65 3cbw s HIS 369 Cb -0.43 -2.69 0.49 0.00 1.11 0.00 0.00 32.58 31.06 3cbw s HIS 369 CO 0.31 -0.45 0.95 0.72 -0.85 0.00 0.00 174.74 175.42