#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qha s THR 2 N 0.00 4.29 -0.24 0.61 2.01 -1.26 -5.09 115.64 115.96 2qha s THR 2 Ca 0.00 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 2qha s THR 2 Cb 0.00 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2qha s THR 2 CO 0.00 0.46 0.09 -0.69 -0.69 0.00 0.00 174.62 173.79 2qha s VAL 3 N 0.57 4.60 0.05 3.82 1.01 -1.26 -5.10 120.40 124.09 2qha s VAL 3 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2qha s VAL 3 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2qha s VAL 3 CO 0.02 0.34 0.04 -0.44 0.00 0.00 0.00 175.10 175.06 2qha s SER 4 N 1.42 5.35 0.60 3.32 0.01 -1.26 -3.53 113.70 119.62 2qha s SER 4 Ca 0.06 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.12 2qha s SER 4 Cb -0.15 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 2qha s SER 4 CO 0.05 0.22 0.91 -2.65 0.41 0.00 0.00 173.24 172.17 2qha n PRO 5 N 0.84 0.84 0.24 12.44 -0.02 -1.26 -4.89 135.00 143.18 2qha n PRO 5 Ca -0.11 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2qha n PRO 5 Cb 0.52 -2.11 0.58 0.00 -0.02 0.00 0.00 33.50 32.47 2qha n PRO 5 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2qha h VAL 6 N 0.44 0.97 -3.25 -1.45 -1.51 -1.89 -3.38 116.25 106.17 2qha h VAL 6 Ca -0.48 -0.56 -0.57 0.00 -1.23 0.00 0.00 66.70 63.86 2qha h VAL 6 Cb 1.37 1.31 -0.05 0.00 -2.13 0.00 0.00 31.29 31.79 2qha h VAL 6 CO 0.50 0.15 1.06 0.21 -1.23 0.00 0.00 177.57 178.27 2qha s ASN 7 N -6.76 6.37 0.37 4.19 2.47 -1.26 -4.88 114.94 115.43 2qha s ASN 7 Ca -0.04 0.88 0.28 0.00 0.42 0.00 0.00 52.86 54.40 2qha s ASN 7 Cb 0.15 -2.54 1.18 0.00 -1.45 0.00 0.00 41.25 38.59 2qha s ASN 7 CO 0.66 -1.40 1.82 1.55 -3.72 0.00 0.00 177.10 176.02 2qha h PRO 8 N 10.58 0.00 -0.67 0.43 0.13 -1.99 -2.19 132.00 138.29 2qha h PRO 8 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qha h PRO 8 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qha h PRO 8 CO 1.08 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.94 2qha n ASN 9 N -2.54 4.65 -4.66 1.44 4.13 -1.26 -5.00 115.26 112.01 2qha n ASN 9 Ca 0.01 -2.40 -0.41 0.00 1.68 0.00 0.00 54.58 53.47 2qha n ASN 9 Cb 0.23 -0.57 0.02 0.00 -1.54 0.00 0.00 39.78 37.92 2qha n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qha n ALA 10 N 1.19 0.75 -1.68 5.41 0.00 -0.83 -4.83 120.51 120.52 2qha n ALA 10 Ca 0.26 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 2qha n ALA 10 Cb 0.86 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 18.16 2qha n ALA 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qha n GLN 11 N -0.06 1.52 -0.16 0.00 6.02 0.88 -4.74 117.38 120.83 2qha n GLN 11 Ca 0.09 0.55 0.03 0.00 -0.01 0.00 0.00 57.00 57.66 2qha n GLN 11 Cb 0.40 -2.35 0.31 0.00 1.02 0.00 0.00 30.24 29.63 2qha n GLN 11 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2qha h GLN 12 N 1.40 0.82 -0.58 -1.09 5.75 -1.91 -0.37 115.11 119.13 2qha h GLN 12 Ca -0.49 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.02 2qha h GLN 12 Cb 1.32 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 2qha h GLN 12 CO 0.56 0.54 0.31 1.15 -2.65 0.00 0.00 178.83 178.74 2qha h THR 13 N 0.84 0.96 -0.56 2.39 2.02 -1.91 0.25 112.91 116.90 2qha h THR 13 Ca 0.26 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 2qha h THR 13 Cb -0.00 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2qha h THR 13 CO -0.07 0.11 0.07 0.74 0.37 0.00 0.00 175.52 176.74 2qha h THR 14 N 0.58 1.26 -0.34 3.16 2.02 -1.60 -0.27 112.91 117.72 2qha h THR 14 Ca 0.26 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.43 2qha h THR 14 Cb 0.16 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2qha h THR 14 CO -0.17 0.37 0.22 0.11 0.37 0.00 0.00 175.52 176.41 2qha h LYS 15 N 0.84 0.43 -0.54 6.66 1.57 -0.52 -0.26 116.57 124.75 2qha h LYS 15 Ca 0.17 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2qha h LYS 15 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2qha h LYS 15 CO 0.02 0.28 0.09 1.15 -0.57 0.00 0.00 179.45 180.42 2qha h THR 16 N 0.44 1.25 -0.45 -0.16 2.02 -0.36 -1.44 112.91 114.21 2qha h THR 16 Ca 0.13 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2qha h THR 16 Cb -0.04 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2qha h THR 16 CO -0.03 0.34 0.16 0.58 0.37 0.00 0.00 175.52 176.94 2qha h VAL 17 N 0.77 1.22 -0.34 3.16 2.07 -0.95 -1.45 116.25 120.73 2qha h VAL 17 Ca 0.16 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qha h VAL 17 Cb 0.41 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2qha h VAL 17 CO 0.01 0.25 0.22 -0.03 0.02 0.00 0.00 177.57 178.05 2qha h MET 18 N 0.59 0.45 -0.63 1.57 -1.53 -0.86 0.13 114.93 114.64 2qha h MET 18 Ca 0.15 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.43 2qha h MET 18 Cb 0.24 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.14 2qha h MET 18 CO -0.01 0.31 0.35 -0.97 0.14 0.00 0.00 176.91 176.73 2qha h ASN 19 N 0.46 0.53 -0.29 1.39 -0.73 -1.19 -1.56 115.58 114.19 2qha h ASN 19 Ca 0.12 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2qha h ASN 19 Cb -0.04 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 2qha h ASN 19 CO -0.03 0.35 0.15 -0.25 -0.37 0.00 0.00 177.43 177.29 2qha h TRP 20 N 0.67 0.41 -0.54 0.67 7.01 -0.74 -2.71 115.95 120.71 2qha h TRP 20 Ca 0.28 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.31 2qha h TRP 20 Cb 0.14 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 2qha h TRP 20 CO -0.08 0.35 0.29 -0.07 -2.79 0.00 0.00 178.44 176.14 2qha h LEU 21 N 0.35 0.43 -2.22 0.65 3.38 -0.72 -2.50 115.31 114.67 2qha h LEU 21 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qha h LEU 21 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qha h LEU 21 CO -0.02 0.29 -0.03 0.00 0.09 0.00 0.00 178.44 178.78 2qha h ALA 22 N 1.28 1.63 -0.01 1.53 0.00 -0.99 -2.38 119.26 120.32 2qha h ALA 22 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qha h ALA 22 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qha h ALA 22 CO -0.15 0.04 -0.09 0.72 0.00 0.00 0.00 179.25 179.77 2qha n HIS 23 N -4.03 0.00 -0.21 0.00 8.25 -0.95 -4.42 115.22 113.86 2qha n HIS 23 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2qha n HIS 23 Cb 0.12 -0.04 0.07 0.00 1.12 0.00 0.00 29.99 31.25 2qha n HIS 23 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qha h LEU 24 N 2.06 0.56 0.00 2.41 3.38 -1.39 -2.47 115.31 119.85 2qha h LEU 24 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qha h LEU 24 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qha h LEU 24 CO 0.00 0.38 0.00 -2.65 0.09 0.00 0.00 178.44 176.26 2qha n PRO 25 N -4.77 0.02 0.13 1.13 -0.02 -1.26 -1.64 135.00 128.58 2qha n PRO 25 Ca 0.06 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2qha n PRO 25 Cb 0.11 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.53 2qha n PRO 25 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2qha h ASN 26 N 0.00 0.00 -4.46 2.55 2.35 -1.71 -3.46 115.58 110.86 2qha h ASN 26 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2qha h ASN 26 Cb 0.10 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.57 2qha h ASN 26 CO 0.00 0.00 0.38 -0.13 -1.65 0.00 0.00 177.43 176.03 2qha s ARG 27 N -3.22 1.98 0.00 0.81 0.52 -0.65 -4.91 118.95 113.47 2qha s ARG 27 Ca 0.07 0.30 0.13 0.00 -0.52 0.00 0.00 55.73 55.71 2qha s ARG 27 Cb 0.10 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 2qha s ARG 27 CO 0.53 -1.62 0.73 0.25 0.02 0.00 0.00 175.30 175.20 2qha n THR 28 N -3.37 0.00 -3.91 0.02 -2.24 -1.26 -5.00 114.28 98.51 2qha n THR 28 Ca 0.07 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2qha n THR 28 Cb 0.59 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 2qha n THR 28 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qha s GLU 29 N -1.67 1.82 -1.21 -0.78 -1.05 -1.26 -4.86 118.70 109.69 2qha s GLU 29 Ca 0.10 -1.22 -0.26 0.00 -0.15 0.00 0.00 54.97 53.45 2qha s GLU 29 Cb 0.10 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.37 2qha s GLU 29 CO 0.34 -0.81 0.68 0.09 0.95 0.00 0.00 175.26 176.51 2qha n ASN 30 N -0.70 -4.16 0.00 0.83 3.02 0.07 -4.88 115.26 109.44 2qha n ASN 30 Ca -0.04 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 2qha n ASN 30 Cb 0.60 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 2qha n ASN 30 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2qha n ARG 31 N -4.65 0.04 -3.79 3.52 1.85 0.10 -4.85 116.66 108.88 2qha n ARG 31 Ca -0.12 -0.36 -0.27 0.00 -1.00 0.00 0.00 57.85 56.09 2qha n ARG 31 Cb 0.59 -0.68 -0.16 0.00 -1.05 0.00 0.00 32.46 31.16 2qha n ARG 31 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qha s VAL 32 N -0.10 0.73 0.17 8.89 1.01 0.05 -4.48 120.40 126.66 2qha s VAL 32 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2qha s VAL 32 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 2qha s VAL 32 CO 0.00 -0.08 1.29 -0.76 0.00 0.00 0.00 175.10 175.54 2qha s LEU 33 N 1.78 4.41 0.68 3.92 1.02 -0.01 -0.44 118.68 130.04 2qha s LEU 33 Ca -0.01 2.32 -0.12 0.00 0.02 0.00 0.00 54.13 56.34 2qha s LEU 33 Cb -0.16 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.44 2qha s LEU 33 CO -0.07 -0.50 1.06 -0.94 0.02 0.00 0.00 176.35 175.92 2qha s SER 34 N 0.46 5.38 -0.02 2.29 1.04 -0.62 -1.41 113.70 120.82 2qha s SER 34 Ca 0.57 1.70 -0.28 0.00 0.48 0.00 0.00 55.95 58.42 2qha s SER 34 Cb -0.35 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 63.32 2qha s SER 34 CO 0.36 -1.44 0.62 -0.83 0.98 0.00 0.00 173.24 172.93 2qha s GLY 35 N -3.45 -0.53 -0.05 7.32 0.00 -0.09 -0.90 107.32 109.61 2qha s GLY 35 Ca 0.60 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 46.36 2qha s GLY 35 CO 0.50 0.75 0.14 0.00 0.00 0.00 0.00 173.10 174.49 2qha s ALA 36 N -1.54 -0.34 0.08 3.20 0.00 -0.53 -1.36 121.76 121.28 2qha s ALA 36 Ca -0.10 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 2qha s ALA 36 Cb -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 2qha s ALA 36 CO 0.06 -0.08 1.24 0.12 0.00 0.00 0.00 175.76 177.11 2qha s PHE 37 N 0.22 3.39 -0.54 0.00 5.36 -0.30 -0.99 117.98 125.13 2qha s PHE 37 Ca -0.01 1.22 0.22 0.00 -0.96 0.00 0.00 56.93 57.40 2qha s PHE 37 Cb -0.02 -3.48 -0.13 0.00 -0.34 0.00 0.00 43.02 39.05 2qha s PHE 37 CO -0.01 -1.53 0.85 0.41 -1.46 0.00 0.00 175.22 173.48 2qha n GLY 38 N 3.25 -1.11 0.00 13.12 0.00 0.85 -4.17 105.19 117.12 2qha n GLY 38 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2qha n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qha n GLY 39 N 1.37 1.16 3.71 -0.02 0.00 -1.23 -2.70 105.19 107.47 2qha n GLY 39 Ca 0.01 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 2qha n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qha s TYR 40 N -1.12 3.50 0.23 1.61 2.02 -1.26 -2.11 117.35 120.22 2qha s TYR 40 Ca 0.00 0.95 -0.32 0.00 -0.37 0.00 0.00 57.07 57.33 2qha s TYR 40 Cb 0.00 -2.63 -0.13 0.00 -0.40 0.00 0.00 41.96 38.80 2qha s TYR 40 CO 0.00 0.11 1.45 0.45 -1.57 0.00 0.00 175.55 175.99 2qha n SER 41 N 3.88 2.88 -3.81 2.29 2.88 0.05 -0.60 113.62 121.19 2qha n SER 41 Ca -0.05 1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 58.38 2qha n SER 41 Cb 0.51 -1.44 0.02 0.00 -0.75 0.00 0.00 64.21 62.55 2qha n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2qha n HIS 42 N 2.21 -1.90 0.00 0.66 -0.00 -1.26 -4.74 115.22 110.20 2qha n HIS 42 Ca 0.12 0.83 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 2qha n HIS 42 Cb 0.31 -4.12 0.00 0.00 -0.00 0.00 0.00 29.99 26.18 2qha n HIS 42 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2qha n ASP 43 N -2.99 0.00 -0.00 0.26 2.03 -0.84 -4.99 116.55 110.02 2qha n ASP 43 Ca -0.24 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.08 2qha n ASP 43 Cb 0.65 0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 41.32 2qha n ASP 43 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2qha n THR 44 N -1.92 0.00 -1.80 5.18 -2.24 -0.48 -4.97 114.28 108.05 2qha n THR 44 Ca 0.00 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2qha n THR 44 Cb 0.00 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2qha n THR 44 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2qha s PHE 45 N -1.36 2.89 0.14 4.78 5.36 0.24 -4.58 117.98 125.44 2qha s PHE 45 Ca 0.00 0.59 -0.14 0.00 -0.96 0.00 0.00 56.93 56.42 2qha s PHE 45 Cb 0.01 -4.06 0.05 0.00 -0.34 0.00 0.00 43.02 38.68 2qha s PHE 45 CO 0.05 -3.81 0.68 -1.13 -1.46 0.00 0.00 175.22 169.55 2qha n SER 46 N 3.25 -1.22 -0.27 6.13 3.41 -1.10 -4.75 113.62 119.07 2qha n SER 46 Ca 0.12 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.18 2qha n SER 46 Cb 0.37 1.98 0.54 0.00 -0.26 0.00 0.00 64.21 66.85 2qha n SER 46 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qha n MET 47 N -0.48 1.36 -0.36 4.33 0.00 -1.26 -4.38 117.12 116.33 2qha n MET 47 Ca -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 57.70 57.14 2qha n MET 47 Cb 0.40 -1.39 0.15 0.00 0.00 0.00 0.00 33.22 32.37 2qha n MET 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qha h ALA 48 N 3.93 1.34 -0.18 3.04 0.00 -1.94 0.23 119.26 125.68 2qha h ALA 48 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qha h ALA 48 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qha h ALA 48 CO 0.00 0.58 -0.07 1.49 0.00 0.00 0.00 179.25 181.26 2qha h GLU 49 N 1.27 0.37 -0.72 0.00 4.57 -1.86 -0.53 114.58 117.68 2qha h GLU 49 Ca 0.38 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 2qha h GLU 49 Cb -0.06 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 2qha h GLU 49 CO -0.10 0.66 0.43 0.00 -1.18 0.00 0.00 179.01 178.81 2qha h ALA 50 N 0.70 0.97 -0.68 2.92 0.00 -1.75 -1.50 119.26 119.93 2qha h ALA 50 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qha h ALA 50 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2qha h ALA 50 CO 0.02 0.14 0.19 -0.44 0.00 0.00 0.00 179.25 179.17 2qha h ASP 51 N 0.79 1.01 -0.50 0.00 3.32 -0.84 -1.62 116.42 118.57 2qha h ASP 51 Ca 0.31 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.19 2qha h ASP 51 Cb 0.15 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2qha h ASP 51 CO -0.16 0.96 0.24 -0.09 -1.72 0.00 0.00 179.24 178.47 2qha h ARG 52 N 1.00 0.46 -0.47 3.56 2.43 -0.66 0.76 114.38 121.46 2qha h ARG 52 Ca 0.22 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2qha h ARG 52 Cb 0.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2qha h ARG 52 CO -0.00 0.30 0.05 0.82 -1.51 0.00 0.00 179.97 179.63 2qha h ILE 53 N 0.47 1.25 -0.61 1.20 1.08 -1.05 -1.80 117.51 118.06 2qha h ILE 53 Ca 0.23 -0.96 -0.09 0.00 -0.39 0.00 0.00 64.86 63.64 2qha h ILE 53 Cb 0.16 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2qha h ILE 53 CO -0.17 0.34 0.01 -0.09 -0.69 0.00 0.00 178.15 177.54 2qha h ARG 54 N 0.66 1.07 -0.87 2.37 2.43 -0.92 -0.45 114.38 118.68 2qha h ARG 54 Ca 0.14 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2qha h ARG 54 Cb 0.43 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 2qha h ARG 54 CO 0.01 1.04 0.56 0.77 -1.51 0.00 0.00 179.97 180.85 2qha h SER 55 N 0.97 0.94 0.26 -3.80 0.02 -0.75 0.37 113.55 111.57 2qha h SER 55 Ca 0.17 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 2qha h SER 55 Cb 0.55 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2qha h SER 55 CO 0.03 0.66 -0.78 0.00 -1.14 0.00 0.00 176.83 175.60 2qha h ALA 56 N 1.35 0.53 0.00 3.77 0.00 -0.94 -3.39 119.26 120.57 2qha h ALA 56 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qha h ALA 56 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qha h ALA 56 CO -0.11 0.77 -0.25 0.25 0.00 0.00 0.00 179.25 179.92 2qha n THR 57 N -3.82 0.00 -0.96 0.00 -2.24 -0.21 -4.77 114.28 102.29 2qha n THR 57 Ca -0.05 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2qha n THR 57 Cb 0.74 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2qha n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qha n GLY 58 N 1.14 0.82 3.32 3.38 0.00 0.13 -4.97 105.19 109.00 2qha n GLY 58 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2qha n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qha s GLN 59 N -0.12 1.24 0.09 1.61 -1.52 -1.26 -4.98 119.66 114.72 2qha s GLN 59 Ca 0.00 -1.45 0.06 0.00 -1.95 0.00 0.00 55.36 52.02 2qha s GLN 59 Cb 0.00 -1.12 -0.04 0.00 -0.22 0.00 0.00 33.01 31.63 2qha s GLN 59 CO 0.00 0.20 -0.08 -1.12 -0.25 0.00 0.00 175.29 174.05 2qha s SER 60 N -2.93 4.53 0.33 5.90 0.01 -1.26 -2.72 113.70 117.56 2qha s SER 60 Ca 0.17 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 2qha s SER 60 Cb -0.03 -0.93 -0.11 0.00 0.21 0.00 0.00 66.02 65.16 2qha s SER 60 CO 0.06 0.19 1.50 -2.16 0.41 0.00 0.00 173.24 173.24 2qha s PRO 61 N -2.14 4.16 0.29 12.44 0.04 -1.26 -1.03 135.00 147.50 2qha s PRO 61 Ca 0.22 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2qha s PRO 61 Cb -0.11 -3.02 0.45 0.00 0.04 0.00 0.00 34.50 31.86 2qha s PRO 61 CO 0.14 -0.52 1.84 0.00 0.04 0.00 0.00 177.00 178.50 2qha h ALA 62 N 3.96 1.26 -3.53 8.56 0.00 -1.47 -3.34 119.26 124.70 2qha h ALA 62 Ca -0.49 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 2qha h ALA 62 Cb 1.23 -0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 2qha h ALA 62 CO 0.71 0.51 -0.74 0.42 0.00 0.00 0.00 179.25 180.16 2qha s ILE 63 N -5.17 3.27 -0.09 0.00 1.01 -0.08 -0.35 121.20 119.79 2qha s ILE 63 Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2qha s ILE 63 Cb 0.16 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2qha s ILE 63 CO 0.79 0.55 -0.20 -0.47 0.00 0.00 0.00 174.94 175.61 2qha s TYR 64 N -0.06 2.18 -0.04 3.97 5.04 -0.70 -1.45 117.35 126.29 2qha s TYR 64 Ca -0.02 -0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 53.71 2qha s TYR 64 Cb -0.14 -1.49 -0.04 0.00 0.35 0.00 0.00 41.96 40.64 2qha s TYR 64 CO 0.03 -0.37 0.11 0.20 -1.34 0.00 0.00 175.55 174.18 2qha s GLY 65 N 0.46 2.07 0.07 8.97 0.00 -0.16 -1.50 107.32 117.23 2qha s GLY 65 Ca -0.17 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 43.82 2qha s GLY 65 CO 0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 173.10 172.39 2qha s ASP 67 N -1.68 3.10 0.48 0.00 -1.08 -0.90 -2.13 116.67 114.47 2qha s ASP 67 Ca 0.01 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.68 2qha s ASP 67 Cb -0.10 -1.46 0.83 0.00 -1.46 0.00 0.00 42.92 40.74 2qha s ASP 67 CO 0.03 0.03 1.79 1.88 0.52 0.00 0.00 175.17 179.41 2qha h TYR 68 N 7.72 0.00 -3.32 -5.34 0.05 -1.74 0.17 116.97 114.52 2qha h TYR 68 Ca -0.41 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.71 2qha h TYR 68 Cb 1.16 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.62 2qha h TYR 68 CO 0.47 0.06 -0.76 0.00 -1.05 0.00 0.00 178.16 176.88 2qha s ALA 69 N -3.44 2.66 -0.92 3.88 0.00 -1.26 -0.76 121.76 121.92 2qha s ALA 69 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2qha s ALA 69 Cb 0.07 -1.40 0.29 0.00 0.00 0.00 0.00 23.12 22.08 2qha s ALA 69 CO 0.62 -0.09 1.21 0.54 0.00 0.00 0.00 175.76 178.03 2qha n ARG 70 N 4.16 3.75 0.00 0.00 1.74 0.01 -3.46 116.66 122.86 2qha n ARG 70 Ca -0.19 -4.60 0.08 0.00 -0.77 0.00 0.00 57.85 52.38 2qha n ARG 70 Cb 0.52 -2.42 0.41 0.00 -1.02 0.00 0.00 32.46 29.95 2qha n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qha n GLY 71 N 1.20 -0.79 0.14 -0.13 0.00 -0.21 -1.85 105.19 103.54 2qha n GLY 71 Ca 0.27 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2qha n GLY 71 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2qha h TRP 72 N 0.00 0.00 -3.49 1.61 0.09 -1.90 -2.76 115.95 109.51 2qha h TRP 72 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 2qha h TRP 72 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.35 2qha h TRP 72 CO 0.00 0.00 0.27 -0.51 0.09 0.00 0.00 178.44 178.29 2qha s LEU 73 N -5.16 4.46 -0.05 0.11 1.43 -0.77 -4.57 118.68 114.14 2qha s LEU 73 Ca 0.07 1.62 -0.23 0.00 -1.03 0.00 0.00 54.13 54.57 2qha s LEU 73 Cb 0.10 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2qha s LEU 73 CO 0.67 -0.05 0.68 -1.61 0.23 0.00 0.00 176.35 176.27 2qha s GLU 74 N 0.08 4.42 0.09 1.70 2.02 -1.26 -2.50 118.70 123.25 2qha s GLU 74 Ca 0.44 0.85 0.01 0.00 0.02 0.00 0.00 54.97 56.29 2qha s GLU 74 Cb -0.22 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2qha s GLU 74 CO 0.27 0.14 -0.06 0.95 0.02 0.00 0.00 175.26 176.57 2qha s THR 75 N 0.54 0.62 0.14 3.63 -4.23 -1.26 -4.97 115.64 110.11 2qha s THR 75 Ca 0.36 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 2qha s THR 75 Cb -0.18 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 2qha s THR 75 CO 0.18 -0.85 1.73 0.00 -0.54 0.00 0.00 174.62 175.14 2qha h ALA 76 N 3.12 0.27 -4.18 3.99 0.00 -1.97 -3.41 119.26 117.08 2qha h ALA 76 Ca -0.35 0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.00 2qha h ALA 76 Cb 1.17 0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.72 2qha h ALA 76 CO 0.63 -0.37 -0.86 -0.80 0.00 0.00 0.00 179.25 177.85 2qha s ASN 77 N -5.28 2.50 0.40 0.00 -0.87 -1.26 -5.02 114.94 105.41 2qha s ASN 77 Ca -0.13 -0.40 0.10 0.00 -1.57 0.00 0.00 52.86 50.86 2qha s ASN 77 Cb 0.11 -0.50 0.91 0.00 -0.02 0.00 0.00 41.25 41.75 2qha s ASN 77 CO 0.70 0.22 1.97 -0.29 -2.57 0.00 0.00 177.10 177.13 2qha h ILE 78 N 4.91 0.95 0.00 0.60 2.10 -1.80 -0.21 117.51 124.06 2qha h ILE 78 Ca -0.36 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.39 2qha h ILE 78 Cb 1.16 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2qha h ILE 78 CO 0.48 0.10 0.00 -1.84 -1.08 0.00 0.00 178.15 175.81 2qha n GLU 79 N -4.48 0.16 0.31 2.19 0.00 -1.26 -1.82 120.64 115.75 2qha n GLU 79 Ca 0.10 0.39 0.18 0.00 0.00 0.00 0.00 57.16 57.84 2qha n GLU 79 Cb 0.30 -1.81 1.03 0.00 0.00 0.00 0.00 31.44 30.95 2qha n GLU 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2qha h ASP 80 N 0.00 0.00 0.67 -1.84 3.32 -1.44 -0.94 116.42 116.19 2qha h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qha h ASP 80 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2qha h ASP 80 CO 0.00 0.01 0.00 0.77 -1.72 0.00 0.00 179.24 178.30 2qha h SER 81 N 0.00 0.00 -3.35 6.45 4.64 -1.53 -3.42 113.55 116.34 2qha h SER 81 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2qha h SER 81 Cb 0.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 2qha h SER 81 CO 0.00 0.00 -0.08 -0.63 -0.87 0.00 0.00 176.83 175.25 2qha s ILE 82 N -3.44 5.15 -0.02 0.95 -1.09 -0.36 -0.81 121.20 121.58 2qha s ILE 82 Ca 0.02 1.04 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 2qha s ILE 82 Cb 0.09 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2qha s ILE 82 CO 0.40 0.29 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.76 2qha s ASP 83 N 0.73 0.42 -0.06 3.58 2.15 0.06 -5.02 116.67 118.53 2qha s ASP 83 Ca 0.28 -0.05 0.11 0.00 0.43 0.00 0.00 52.55 53.32 2qha s ASP 83 Cb -0.16 -0.15 0.27 0.00 -0.30 0.00 0.00 42.92 42.59 2qha s ASP 83 CO 0.11 -0.03 1.20 1.33 -0.17 0.00 0.00 175.17 177.61 2qha n VAL 84 N 3.60 1.45 0.31 1.11 0.24 -1.26 -4.47 118.33 119.30 2qha n VAL 84 Ca -0.20 -1.43 0.20 0.00 -2.04 0.00 0.00 64.34 60.87 2qha n VAL 84 Cb 0.54 0.20 1.01 0.00 -1.47 0.00 0.00 33.84 34.12 2qha n VAL 84 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qha h SER 85 N 1.05 0.00 0.40 -1.34 4.64 -1.97 -1.11 113.55 115.23 2qha h SER 85 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qha h SER 85 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2qha h SER 85 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2qha h ASN 87 N 0.00 0.52 -0.44 0.00 2.35 -1.59 -1.67 115.58 114.76 2qha h ASN 87 Ca 0.00 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2qha h ASN 87 Cb 0.20 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2qha h ASN 87 CO 0.00 0.17 0.22 0.77 -1.65 0.00 0.00 177.43 176.93 2qha h SER 88 N 0.59 0.31 -0.27 5.81 4.64 -1.83 0.12 113.55 122.92 2qha h SER 88 Ca 0.51 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.77 2qha h SER 88 Cb 0.82 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 2qha h SER 88 CO -0.41 0.22 -0.13 0.44 -0.87 0.00 0.00 176.83 176.08 2qha h ASP 89 N 0.43 0.68 -0.55 4.97 3.32 -1.67 -1.83 116.42 121.77 2qha h ASP 89 Ca 0.19 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2qha h ASP 89 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2qha h ASP 89 CO -0.14 0.83 0.10 -0.07 -1.72 0.00 0.00 179.24 178.25 2qha h LEU 90 N 0.62 0.87 -0.41 1.55 3.38 -0.51 -0.45 115.31 120.35 2qha h LEU 90 Ca 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2qha h LEU 90 Cb 0.58 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qha h LEU 90 CO 0.04 0.90 0.13 0.24 0.09 0.00 0.00 178.44 179.83 2qha h MET 91 N 0.80 0.64 -0.69 1.13 2.86 -0.66 -2.36 114.93 116.65 2qha h MET 91 Ca 0.17 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2qha h MET 91 Cb 0.39 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2qha h MET 91 CO 0.01 0.64 0.43 0.77 1.06 0.00 0.00 176.91 179.82 2qha h SER 92 N 0.52 0.82 -0.54 1.22 0.02 -1.24 -1.75 113.55 112.60 2qha h SER 92 Ca 0.13 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2qha h SER 92 Cb 0.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2qha h SER 92 CO -0.00 0.62 0.27 0.22 -1.14 0.00 0.00 176.83 176.79 2qha h TYR 93 N 0.95 0.77 -0.20 3.45 3.20 -0.61 0.36 116.97 124.89 2qha h TYR 93 Ca 0.25 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qha h TYR 93 Cb -0.06 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2qha h TYR 93 CO 0.00 0.59 0.11 2.35 -1.64 0.00 0.00 178.16 179.58 2qha h TRP 94 N 0.73 0.27 0.00 -3.82 2.91 -1.18 -0.30 115.95 114.57 2qha h TRP 94 Ca 0.19 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 2qha h TRP 94 Cb 0.10 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 2qha h TRP 94 CO -0.01 0.24 -0.05 0.87 -1.03 0.00 0.00 178.44 178.47 2qha h LYS 95 N 0.22 0.00 -0.54 2.65 1.57 -0.86 -2.65 116.57 116.96 2qha h LYS 95 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qha h LYS 95 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2qha h LYS 95 CO -0.01 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.01 2qha n ASN 96 N -4.16 4.91 0.00 0.86 5.03 0.07 -4.95 115.26 117.03 2qha n ASN 96 Ca -0.03 -2.71 0.00 0.00 0.87 0.00 0.00 54.58 52.72 2qha n ASN 96 Cb 0.13 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 2qha n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qha n GLY 97 N 0.64 1.12 0.00 7.41 0.00 -0.93 -4.43 105.19 109.00 2qha n GLY 97 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2qha n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qha n GLY 98 N -1.63 4.28 2.92 -0.02 0.00 -0.17 -1.52 105.19 109.06 2qha n GLY 98 Ca 0.00 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.63 2qha n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qha s ILE 99 N -0.80 0.58 0.46 -0.61 1.01 0.53 -3.87 121.20 118.50 2qha s ILE 99 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2qha s ILE 99 Cb 0.00 -0.57 -0.09 0.00 0.01 0.00 0.00 42.46 41.81 2qha s ILE 99 CO 0.00 0.22 0.92 -2.16 0.00 0.00 0.00 174.94 173.92 2qha s PRO 100 N 0.66 4.00 -0.03 2.79 0.04 -1.26 -1.72 135.00 139.48 2qha s PRO 100 Ca -0.09 0.90 0.02 0.00 0.04 0.00 0.00 61.00 61.86 2qha s PRO 100 Cb -0.12 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2qha s PRO 100 CO 0.00 -0.13 -0.06 -1.14 0.04 0.00 0.00 177.00 175.71 2qha s GLN 101 N -3.71 0.77 -0.09 4.56 -0.44 -0.56 -1.60 119.66 118.59 2qha s GLN 101 Ca 0.58 -0.19 0.03 0.00 -2.50 0.00 0.00 55.36 53.27 2qha s GLN 101 Cb -0.10 -0.75 0.01 0.00 -1.64 0.00 0.00 33.01 30.53 2qha s GLN 101 CO 0.25 0.04 -0.17 0.42 0.50 0.00 0.00 175.29 176.33 2qha s ILE 102 N 0.41 1.57 0.44 -2.34 1.01 0.22 -0.89 121.20 121.62 2qha s ILE 102 Ca -0.05 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.93 2qha s ILE 102 Cb -0.10 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2qha s ILE 102 CO 0.00 0.45 0.06 -0.94 0.00 0.00 0.00 174.94 174.52 2qha s SER 103 N 0.66 4.10 -0.16 3.58 1.04 -0.90 -0.94 113.70 121.08 2qha s SER 103 Ca -0.13 -1.37 -0.04 0.00 0.48 0.00 0.00 55.95 54.88 2qha s SER 103 Cb -0.16 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.87 2qha s SER 103 CO 0.04 -0.60 0.07 -0.76 0.98 0.00 0.00 173.24 172.97 2qha s LEU 104 N -3.82 0.46 -1.38 2.42 1.43 -1.26 -2.78 118.68 113.74 2qha s LEU 104 Ca 0.29 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2qha s LEU 104 Cb 0.06 -0.29 0.09 0.00 0.03 0.00 0.00 46.19 46.08 2qha s LEU 104 CO 0.15 -0.33 2.17 1.41 0.23 0.00 0.00 176.35 179.99 2qha n HIS 105 N 5.24 3.04 -1.74 0.29 8.25 -1.22 -4.65 115.22 124.43 2qha n HIS 105 Ca -0.07 -2.89 -0.42 0.00 -0.26 0.00 0.00 57.72 54.08 2qha n HIS 105 Cb 0.49 -2.20 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 2qha n HIS 105 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qha s LEU 106 N 0.47 4.36 0.86 2.41 1.43 -1.26 -1.05 118.68 125.91 2qha s LEU 106 Ca 0.47 2.89 -0.13 0.00 -1.03 0.00 0.00 54.13 56.33 2qha s LEU 106 Cb 0.13 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.80 2qha s LEU 106 CO -0.05 -0.96 0.79 0.00 0.23 0.00 0.00 176.35 176.36 2qha n ALA 107 N 3.63 -1.35 -2.71 4.21 0.00 -1.26 -4.57 120.51 118.47 2qha n ALA 107 Ca 0.14 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2qha n ALA 107 Cb 0.36 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 2qha n ALA 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qha s ASN 108 N -2.06 6.26 0.00 0.00 3.84 0.40 -4.89 114.94 118.49 2qha s ASN 108 Ca 0.65 -0.73 0.20 0.00 0.21 0.00 0.00 52.86 53.19 2qha s ASN 108 Cb -0.26 -2.32 1.04 0.00 -0.55 0.00 0.00 41.25 39.16 2qha s ASN 108 CO 0.59 -0.94 1.59 -0.81 -2.79 0.00 0.00 177.10 174.75 2qha n PRO 109 N 6.43 0.38 0.13 0.43 -0.04 -1.26 -1.18 135.00 139.89 2qha n PRO 109 Ca -0.04 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2qha n PRO 109 Cb 0.46 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.91 2qha n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qha n ALA 110 N -1.20 1.62 -2.55 0.55 0.00 -1.26 -4.33 120.51 113.34 2qha n ALA 110 Ca 0.11 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 2qha n ALA 110 Cb 0.13 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2qha n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2qha s PHE 111 N -3.33 2.56 0.30 0.00 0.08 -0.32 -5.01 117.98 112.26 2qha s PHE 111 Ca 0.04 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2qha s PHE 111 Cb 0.09 -1.40 0.56 0.00 -0.57 0.00 0.00 43.02 41.70 2qha s PHE 111 CO 0.38 0.52 1.88 0.37 -0.10 0.00 0.00 175.22 178.26 2qha h GLN 112 N 1.85 0.96 -2.37 0.44 -0.00 -1.86 -3.46 115.11 110.67 2qha h GLN 112 Ca -0.43 -0.06 0.18 0.00 -0.00 0.00 0.00 58.65 58.34 2qha h GLN 112 Cb 1.25 -0.22 -0.06 0.00 0.00 0.00 0.00 27.48 28.45 2qha h GLN 112 CO 0.65 0.64 0.54 -1.54 0.00 0.00 0.00 178.83 179.12 2qha s SER 113 N -5.88 -0.09 0.87 -0.69 1.04 -1.26 -4.02 113.70 103.67 2qha s SER 113 Ca -0.11 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2qha s SER 113 Cb 0.21 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2qha s SER 113 CO 0.80 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2qha n GLY 114 N -0.56 1.76 2.65 7.32 0.00 -1.04 -4.78 105.19 110.54 2qha n GLY 114 Ca -0.05 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 2qha n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qha n HIS 115 N 5.88 -1.38 0.32 1.61 8.25 -1.13 -0.45 115.22 128.32 2qha n HIS 115 Ca 0.00 0.24 0.21 0.00 -0.26 0.00 0.00 57.72 57.91 2qha n HIS 115 Cb 0.00 -4.06 1.10 0.00 1.12 0.00 0.00 29.99 28.15 2qha n HIS 115 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2qha h PHE 116 N -0.64 0.00 -0.14 4.41 -0.00 -1.74 -1.53 116.94 117.31 2qha h PHE 116 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 2qha h PHE 116 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.30 2qha h PHE 116 CO 0.51 0.01 0.00 1.63 -0.00 0.00 0.00 178.31 180.46 2qha n LYS 117 N -3.20 2.20 -3.21 6.09 5.02 -1.26 -1.31 118.16 122.50 2qha n LYS 117 Ca -0.03 -2.61 -0.40 0.00 -2.02 0.00 0.00 58.31 53.26 2qha n LYS 117 Cb 0.11 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 2qha n LYS 117 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qha s THR 118 N -2.65 5.06 0.62 -0.18 2.01 -0.57 -4.79 115.64 115.14 2qha s THR 118 Ca 0.34 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 2qha s THR 118 Cb 0.28 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 2qha s THR 118 CO 0.06 0.10 1.21 -2.84 -0.69 0.00 0.00 174.62 172.46 2qha s PRO 119 N 2.18 2.81 0.24 4.92 0.02 -1.26 -4.54 135.00 139.37 2qha s PRO 119 Ca 0.23 1.81 0.06 0.00 0.02 0.00 0.00 61.00 63.12 2qha s PRO 119 Cb -0.16 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 2qha s PRO 119 CO 0.09 -1.33 -0.06 0.96 -0.33 0.00 0.00 177.00 176.33 2qha s ILE 120 N -1.67 1.42 0.57 2.83 -4.36 -1.26 -5.10 121.20 113.63 2qha s ILE 120 Ca 0.77 -2.10 -0.08 0.00 -0.26 0.00 0.00 60.65 58.98 2qha s ILE 120 Cb -0.30 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 2qha s ILE 120 CO 0.36 -0.40 0.91 0.42 0.24 0.00 0.00 174.94 176.47 2qha s THR 121 N -3.16 4.40 0.37 8.37 -4.23 -1.26 -4.87 115.64 115.25 2qha s THR 121 Ca 0.27 0.36 0.06 0.00 -1.18 0.00 0.00 61.69 61.20 2qha s THR 121 Cb 0.03 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.44 2qha s THR 121 CO 0.09 -0.81 1.98 0.78 -0.54 0.00 0.00 174.62 176.12 2qha h ASN 122 N -0.11 0.62 -0.53 3.99 2.35 -2.00 -0.43 115.58 119.46 2qha h ASN 122 Ca -0.46 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2qha h ASN 122 Cb 1.22 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 2qha h ASN 122 CO 0.62 0.41 0.27 0.44 -1.65 0.00 0.00 177.43 177.52 2qha h ASP 123 N 0.71 0.69 -0.71 5.81 3.32 -1.99 -0.79 116.42 123.45 2qha h ASP 123 Ca 0.27 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2qha h ASP 123 Cb 0.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2qha h ASP 123 CO -0.08 0.61 0.20 1.56 -1.72 0.00 0.00 179.24 179.80 2qha h GLN 124 N 0.71 1.13 -0.80 3.56 4.20 -1.77 -2.22 115.11 119.92 2qha h GLN 124 Ca 0.19 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qha h GLN 124 Cb 0.09 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 2qha h GLN 124 CO -0.03 0.98 0.51 -0.92 -0.67 0.00 0.00 178.83 178.70 2qha h TYR 125 N 1.08 1.02 -0.90 2.96 3.20 -0.85 -1.53 116.97 121.94 2qha h TYR 125 Ca 0.23 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2qha h TYR 125 Cb 0.34 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2qha h TYR 125 CO 0.03 0.66 0.53 0.87 -1.64 0.00 0.00 178.16 178.61 2qha h LYS 126 N 1.08 1.23 -0.54 1.82 1.57 -0.89 -2.45 116.57 118.39 2qha h LYS 126 Ca 0.29 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2qha h LYS 126 Cb -0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.94 2qha h LYS 126 CO -0.06 0.87 0.06 0.87 -0.57 0.00 0.00 179.45 180.62 2qha h LYS 127 N 1.24 0.87 -0.31 3.15 1.57 -0.81 -2.26 116.57 120.04 2qha h LYS 127 Ca 0.32 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2qha h LYS 127 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2qha h LYS 127 CO -0.06 0.83 0.09 0.82 -0.57 0.00 0.00 179.45 180.56 2qha h ILE 128 N 0.82 1.14 -0.00 1.86 2.04 -0.91 -1.83 117.51 120.63 2qha h ILE 128 Ca 0.17 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2qha h ILE 128 Cb 0.40 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2qha h ILE 128 CO 0.01 0.17 -0.00 0.18 0.00 0.00 0.00 178.15 178.51 2qha n LEU 129 N -4.38 0.00 -4.38 1.44 4.77 -0.88 -3.98 117.00 109.59 2qha n LEU 129 Ca 0.01 0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.99 2qha n LEU 129 Cb 0.16 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 2qha n LEU 129 CO 0.37 0.00 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.76 2qha s ASP 130 N -2.85 5.98 0.24 -1.43 -1.08 -0.70 -4.96 116.67 111.87 2qha s ASP 130 Ca 0.19 -1.20 0.17 0.00 -0.52 0.00 0.00 52.55 51.19 2qha s ASP 130 Cb 0.19 -2.12 0.90 0.00 -1.46 0.00 0.00 42.92 40.43 2qha s ASP 130 CO 0.51 -0.54 1.51 -1.20 0.52 0.00 0.00 175.17 175.97 2qha n SER 131 N 5.11 0.43 0.12 -0.34 7.64 -1.26 -2.11 113.62 123.20 2qha n SER 131 Ca -0.12 0.70 0.12 0.00 1.01 0.00 0.00 58.87 60.58 2qha n SER 131 Cb 0.45 -0.75 0.24 0.00 -1.01 0.00 0.00 64.21 63.13 2qha n SER 131 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2qha h SER 132 N 0.00 0.00 -3.10 6.43 4.64 -1.92 -3.37 113.55 116.23 2qha h SER 132 Ca 0.00 -0.06 -0.47 0.00 -0.47 0.00 0.00 61.79 60.79 2qha h SER 132 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2qha h SER 132 CO 0.00 0.03 -0.03 0.42 -0.87 0.00 0.00 176.83 176.38 2qha s THR 133 N -3.17 4.53 0.24 2.95 -4.23 -0.90 -4.93 115.64 110.12 2qha s THR 133 Ca 0.07 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 2qha s THR 133 Cb 0.11 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.48 2qha s THR 133 CO 0.67 -0.56 1.86 0.00 -0.54 0.00 0.00 174.62 176.06 2qha h ALA 134 N 0.38 1.22 -0.13 3.99 0.00 -1.91 0.04 119.26 122.86 2qha h ALA 134 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qha h ALA 134 Cb 1.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qha h ALA 134 CO 0.60 0.34 0.07 0.93 0.00 0.00 0.00 179.25 181.20 2qha h GLU 135 N 1.04 0.17 -0.77 0.00 3.07 -1.83 -1.58 114.58 114.68 2qha h GLU 135 Ca 0.38 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 2qha h GLU 135 Cb 0.13 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 2qha h GLU 135 CO -0.16 0.18 0.28 0.78 -1.40 0.00 0.00 179.01 178.69 2qha h GLY 136 N 0.12 1.25 1.29 -3.84 0.00 -1.40 -1.76 103.07 98.72 2qha h GLY 136 Ca 0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 2qha h GLY 136 CO -0.01 0.66 0.04 0.50 0.00 0.00 0.00 176.54 177.73 2qha h LYS 137 N 1.13 0.87 -0.44 4.80 1.57 -0.90 -1.29 116.57 122.31 2qha h LYS 137 Ca 0.25 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2qha h LYS 137 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2qha h LYS 137 CO -0.02 0.85 0.21 0.00 -0.57 0.00 0.00 179.45 179.92 2qha h ARG 138 N 0.82 0.65 -0.11 3.15 3.08 -0.96 -0.51 114.38 120.50 2qha h ARG 138 Ca 0.16 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2qha h ARG 138 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2qha h ARG 138 CO 0.02 0.56 0.00 1.25 -1.07 0.00 0.00 179.97 180.73 2qha h LEU 139 N 0.58 -0.04 -1.27 3.04 5.85 -1.11 -2.44 115.31 119.91 2qha h LEU 139 Ca 0.15 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2qha h LEU 139 Cb 0.14 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2qha h LEU 139 CO -0.02 -0.00 0.47 0.78 -0.34 0.00 0.00 178.44 179.34 2qha h ASN 140 N 0.04 0.84 -0.66 1.25 2.35 -1.06 -0.21 115.58 118.13 2qha h ASN 140 Ca 0.05 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2qha h ASN 140 Cb 0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2qha h ASN 140 CO -0.08 0.61 0.22 0.00 -1.65 0.00 0.00 177.43 176.53 2qha h ALA 141 N 1.54 1.11 -0.13 -0.83 0.00 -0.91 0.34 119.26 120.38 2qha h ALA 141 Ca 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qha h ALA 141 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2qha h ALA 141 CO -0.06 0.62 -0.04 0.52 0.00 0.00 0.00 179.25 180.28 2qha h MET 142 N 1.00 0.25 -0.91 0.00 2.86 -0.87 -2.63 114.93 114.63 2qha h MET 142 Ca 0.22 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2qha h MET 142 Cb 0.27 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 2qha h MET 142 CO -0.01 0.57 0.60 -0.07 1.06 0.00 0.00 176.91 179.06 2qha h LEU 143 N -0.08 1.01 -0.48 1.22 3.38 -0.80 -0.62 115.31 118.95 2qha h LEU 143 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qha h LEU 143 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2qha h LEU 143 CO 0.02 0.71 0.15 -1.28 0.09 0.00 0.00 178.44 178.13 2qha h SER 144 N 1.19 0.70 -0.47 -0.43 0.87 -0.95 0.86 113.55 115.31 2qha h SER 144 Ca 0.35 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2qha h SER 144 Cb -0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2qha h SER 144 CO -0.10 0.72 -0.07 0.50 -0.53 0.00 0.00 176.83 177.35 2qha h LYS 145 N 0.64 0.93 -0.17 2.24 3.64 -1.07 -0.08 116.57 122.71 2qha h LYS 145 Ca 0.16 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2qha h LYS 145 Cb 0.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2qha h LYS 145 CO -0.01 0.97 0.10 0.82 -2.27 0.00 0.00 179.45 179.06 2qha h ILE 146 N 0.84 1.08 -0.93 2.00 2.04 -0.94 -2.31 117.51 119.29 2qha h ILE 146 Ca 0.14 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2qha h ILE 146 Cb 0.59 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2qha h ILE 146 CO 0.04 0.07 0.55 0.00 0.00 0.00 0.00 178.15 178.81 2qha h ALA 147 N 1.01 1.21 -0.92 1.87 0.00 -0.57 0.21 119.26 122.08 2qha h ALA 147 Ca 0.06 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2qha h ALA 147 Cb 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 17.37 2qha h ALA 147 CO -0.01 0.66 0.56 -0.44 0.00 0.00 0.00 179.25 180.02 2qha h ASP 148 N 1.29 0.82 -0.19 0.00 3.32 -0.83 0.64 116.42 121.47 2qha h ASP 148 Ca 0.33 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 2qha h ASP 148 Cb -0.03 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qha h ASP 148 CO -0.06 0.45 -0.06 1.23 -1.72 0.00 0.00 179.24 179.08 2qha h GLY 149 N 0.91 0.41 1.51 2.75 0.00 -0.69 -3.13 103.07 104.83 2qha h GLY 149 Ca 0.45 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2qha h GLY 149 CO -0.25 0.32 0.12 1.41 0.00 0.00 0.00 176.54 178.14 2qha h LEU 150 N 0.09 0.57 -1.38 3.11 3.38 -0.55 -2.40 115.31 118.13 2qha h LEU 150 Ca 0.05 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qha h LEU 150 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2qha h LEU 150 CO 0.02 0.56 0.46 1.56 0.09 0.00 0.00 178.44 181.13 2qha h GLN 151 N 0.61 0.75 -0.75 1.13 1.08 -0.84 -1.26 115.11 115.84 2qha h GLN 151 Ca 0.14 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 2qha h GLN 151 Cb 0.20 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 2qha h GLN 151 CO -0.01 0.50 0.44 1.49 -0.95 0.00 0.00 178.83 180.30 2qha h GLU 152 N 0.77 0.77 -0.33 1.46 4.81 -1.39 -1.10 114.58 119.58 2qha h GLU 152 Ca 0.29 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.30 2qha h GLU 152 Cb 0.18 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qha h GLU 152 CO -0.09 0.51 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.15 2qha h LEU 153 N 0.80 0.98 -1.26 1.64 3.38 -1.37 -3.08 115.31 116.40 2qha h LEU 153 Ca 0.33 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2qha h LEU 153 Cb 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2qha h LEU 153 CO -0.18 1.29 0.52 -0.08 0.09 0.00 0.00 178.44 180.08 2qha h GLU 154 N 0.70 0.93 0.00 1.13 4.81 -0.78 -2.00 114.58 119.37 2qha h GLU 154 Ca 0.03 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2qha h GLU 154 Cb 1.08 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 2qha h GLU 154 CO 0.11 0.61 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.09 2qha h ASN 155 N 0.96 0.00 -0.51 1.04 2.35 -1.12 -0.13 115.58 118.16 2qha h ASN 155 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2qha h ASN 155 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2qha h ASN 155 CO -0.10 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.69 2qha n GLN 156 N -3.11 2.58 -1.93 0.81 1.13 -0.80 -4.97 117.38 111.08 2qha n GLN 156 Ca -0.01 -2.34 -0.10 0.00 -1.94 0.00 0.00 57.00 52.61 2qha n GLN 156 Cb 0.19 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 2qha n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qha n GLY 157 N 1.29 0.30 3.60 1.08 0.00 -0.06 -4.98 105.19 106.41 2qha n GLY 157 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2qha n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qha s VAL 158 N -2.45 4.87 0.40 1.61 1.01 -0.89 -4.84 120.40 120.12 2qha s VAL 158 Ca 0.00 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 2qha s VAL 158 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2qha s VAL 158 CO 0.00 -0.23 1.24 -2.84 0.00 0.00 0.00 175.10 173.27 2qha s PRO 159 N 2.77 4.00 -0.08 2.72 0.02 -1.26 -4.52 135.00 138.64 2qha s PRO 159 Ca 0.28 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.31 2qha s PRO 159 Cb -0.14 -2.71 0.02 0.00 0.02 0.00 0.00 34.50 31.68 2qha s PRO 159 CO 0.13 -0.42 -0.10 0.08 -0.33 0.00 0.00 177.00 176.36 2qha s VAL 160 N -1.33 1.04 -0.57 3.83 1.01 -0.24 -4.27 120.40 119.87 2qha s VAL 160 Ca 0.57 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 2qha s VAL 160 Cb -0.35 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2qha s VAL 160 CO 0.44 0.35 1.43 -0.76 0.00 0.00 0.00 175.10 176.56 2qha s LEU 161 N 1.07 3.39 -0.29 3.92 1.43 -0.63 -0.98 118.68 126.60 2qha s LEU 161 Ca -0.07 0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2qha s LEU 161 Cb -0.14 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 2qha s LEU 161 CO -0.01 -1.74 0.14 0.12 0.23 0.00 0.00 176.35 175.09 2qha s PHE 162 N 6.15 3.16 -0.63 0.29 5.36 0.53 -0.61 117.98 132.23 2qha s PHE 162 Ca 0.52 -0.44 0.05 0.00 -0.96 0.00 0.00 56.93 56.11 2qha s PHE 162 Cb -0.11 -2.33 0.18 0.00 -0.34 0.00 0.00 43.02 40.42 2qha s PHE 162 CO 0.24 -0.39 0.48 -2.13 -1.46 0.00 0.00 175.22 171.97 2qha n ARG 163 N 4.98 1.50 -3.03 10.12 0.63 -0.12 -1.00 116.66 129.74 2qha n ARG 163 Ca -0.14 -4.19 -0.29 0.00 -0.92 0.00 0.00 57.85 52.30 2qha n ARG 163 Cb 0.50 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.25 2qha n ARG 163 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2qha s PRO 164 N -1.20 3.68 -1.35 -0.14 0.04 -1.26 -4.16 135.00 130.62 2qha s PRO 164 Ca 0.28 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.50 2qha s PRO 164 Cb -0.01 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 32.06 2qha s PRO 164 CO -0.17 0.04 0.90 1.28 0.04 0.00 0.00 177.00 179.10 2qha n LEU 165 N -1.30 -3.21 -4.84 -3.56 4.77 -1.26 -4.83 117.00 102.77 2qha n LEU 165 Ca 0.00 -0.73 -0.30 0.00 -0.03 0.00 0.00 56.01 54.95 2qha n LEU 165 Cb 0.54 -2.79 0.06 0.00 -2.33 0.00 0.00 43.42 38.90 2qha n LEU 165 CO 0.48 0.46 0.72 -1.38 -1.33 0.00 0.00 177.39 176.34 2qha s HIS 166 N -3.47 3.17 -1.49 -1.77 -3.43 -1.26 -4.11 115.29 102.93 2qha s HIS 166 Ca 0.25 1.21 -0.12 0.00 -0.80 0.00 0.00 55.06 55.60 2qha s HIS 166 Cb -0.12 -2.98 0.07 0.00 -1.43 0.00 0.00 32.58 28.12 2qha s HIS 166 CO 0.79 -1.30 1.00 0.39 -2.00 0.00 0.00 174.74 173.62 2qha n GLU 167 N -3.13 -5.87 0.27 -0.38 1.02 0.68 -4.85 120.64 108.38 2qha n GLU 167 Ca 0.07 0.64 0.17 0.00 -0.02 0.00 0.00 57.16 58.01 2qha n GLU 167 Cb 0.55 -5.53 0.68 0.00 -0.02 0.00 0.00 31.44 27.12 2qha n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qha h MET 168 N -2.17 0.00 -0.00 3.49 -0.00 -1.79 -1.36 114.93 113.10 2qha h MET 168 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.12 2qha h MET 168 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.97 2qha h MET 168 CO 0.65 0.03 -0.10 0.27 -0.00 0.00 0.00 176.91 177.76 2qha n ASN 169 N -3.13 0.51 -4.61 -0.10 6.94 -1.26 -2.51 115.26 111.10 2qha n ASN 169 Ca 0.00 -0.66 -0.29 0.00 -0.02 0.00 0.00 54.58 53.61 2qha n ASN 169 Cb 0.31 -0.06 0.13 0.00 -2.36 0.00 0.00 39.78 37.80 2qha n ASN 169 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2qha s GLY 170 N -2.41 1.65 0.00 4.83 0.00 -0.51 -4.66 107.32 106.22 2qha s GLY 170 Ca 0.31 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 44.26 2qha s GLY 170 CO 0.46 -0.24 1.14 -1.84 0.00 0.00 0.00 173.10 172.62 2qha n GLU 171 N -3.53 2.66 -0.10 2.90 0.00 -1.26 -1.53 120.64 119.77 2qha n GLU 171 Ca 0.10 -1.80 -0.17 0.00 0.00 0.00 0.00 57.16 55.29 2qha n GLU 171 Cb 0.60 -1.18 -0.08 0.00 0.00 0.00 0.00 31.44 30.78 2qha n GLU 171 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2qha n TRP 172 N 0.22 0.70 -2.52 -1.84 2.14 -1.26 -4.81 117.44 110.08 2qha n TRP 172 Ca 0.08 0.31 -0.35 0.00 2.07 0.00 0.00 57.50 59.60 2qha n TRP 172 Cb 0.36 -0.93 -0.03 0.00 -0.81 0.00 0.00 31.31 29.89 2qha n TRP 172 CO 0.00 0.00 0.00 -0.06 2.07 0.00 0.00 177.69 179.70 2qha s PHE 173 N -2.41 3.08 0.56 -2.67 0.08 -1.26 -4.24 117.98 111.10 2qha s PHE 173 Ca -0.27 1.60 0.25 0.00 0.12 0.00 0.00 56.93 58.63 2qha s PHE 173 Cb 0.06 -3.11 1.61 0.00 -0.57 0.00 0.00 43.02 41.01 2qha s PHE 173 CO 0.46 -0.82 2.21 0.11 -0.10 0.00 0.00 175.22 177.08 2qha h TRP 174 N 1.91 0.00 -0.00 0.36 5.08 -1.44 -2.35 115.95 119.52 2qha h TRP 174 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 2qha h TRP 174 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2qha h TRP 174 CO 0.57 0.01 -0.14 -2.67 -1.28 0.00 0.00 178.44 174.93 2qha n TRP 175 N -4.08 0.00 -0.89 0.12 2.14 -1.26 -4.58 117.44 108.88 2qha n TRP 175 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 2qha n TRP 175 Cb 0.09 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.31 2qha n TRP 175 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qha n GLY 176 N 1.37 1.58 3.78 -1.67 0.00 -0.88 -4.82 105.19 104.56 2qha n GLY 176 Ca 0.11 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2qha n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qha s LEU 177 N 0.00 3.65 0.17 0.99 1.43 -0.58 -4.96 118.68 119.38 2qha s LEU 177 Ca 0.00 2.02 0.09 0.00 -1.03 0.00 0.00 54.13 55.21 2qha s LEU 177 Cb 0.00 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.53 2qha s LEU 177 CO 0.00 -1.20 1.33 0.71 0.23 0.00 0.00 176.35 177.42 2qha h THR 178 N 0.89 1.46 -3.38 5.49 1.35 -1.88 -3.38 112.91 113.46 2qha h THR 178 Ca -0.49 -3.07 -0.46 0.00 -0.55 0.00 0.00 66.41 61.85 2qha h THR 178 Cb 1.24 2.72 -0.35 0.00 -1.73 0.00 0.00 68.15 70.04 2qha h THR 178 CO 0.57 0.83 -0.79 -0.44 -0.25 0.00 0.00 175.52 175.44 2qha s SER 179 N -6.64 1.44 -0.48 5.36 0.01 -1.26 -4.95 113.70 107.18 2qha s SER 179 Ca 0.02 -0.20 -0.44 0.00 1.31 0.00 0.00 55.95 56.64 2qha s SER 179 Cb 0.09 -0.62 -0.19 0.00 0.21 0.00 0.00 66.02 65.52 2qha s SER 179 CO 0.80 -0.05 1.83 0.00 0.41 0.00 0.00 173.24 176.22 2qha n TYR 180 N 4.23 1.40 -1.60 2.43 9.36 -1.26 -1.39 117.16 130.33 2qha n TYR 180 Ca -0.21 0.92 -0.13 0.00 3.32 0.00 0.00 57.90 61.81 2qha n TYR 180 Cb 0.51 -2.19 -0.04 0.00 -0.63 0.00 0.00 39.34 36.98 2qha n TYR 180 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2qha n ASN 181 N 5.68 -3.47 -4.53 2.98 5.03 -1.26 -4.94 115.26 114.75 2qha n ASN 181 Ca 0.42 0.29 -0.42 0.00 0.87 0.00 0.00 54.58 55.74 2qha n ASN 181 Cb -0.05 -3.19 -0.08 0.00 -1.02 0.00 0.00 39.78 35.44 2qha n ASN 181 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2qha s GLN 182 N -3.49 3.41 0.22 3.52 -0.21 -0.48 -4.97 119.66 117.66 2qha s GLN 182 Ca 0.00 -0.44 -0.32 0.00 0.02 0.00 0.00 55.36 54.62 2qha s GLN 182 Cb 0.00 -3.87 -0.11 0.00 1.00 0.00 0.00 33.01 30.03 2qha s GLN 182 CO 0.00 -0.70 1.67 0.21 -2.12 0.00 0.00 175.29 174.35 2qha s LYS 183 N 2.23 4.14 -0.28 2.91 2.20 -1.26 -4.80 119.74 124.88 2qha s LYS 183 Ca 0.15 2.56 -0.03 0.00 -0.36 0.00 0.00 55.97 58.28 2qha s LYS 183 Cb -0.16 -3.08 0.09 0.00 -1.51 0.00 0.00 37.83 33.17 2qha s LYS 183 CO 0.13 -0.70 0.12 0.34 -0.36 0.00 0.00 175.35 174.88 2qha s ASP 184 N 1.04 3.51 0.29 1.43 -1.08 -1.26 -5.03 116.67 115.56 2qha s ASP 184 Ca 0.72 -1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 51.46 2qha s ASP 184 Cb -0.48 -0.46 0.47 0.00 -1.46 0.00 0.00 42.92 40.99 2qha s ASP 184 CO 0.35 -0.42 1.91 0.78 0.52 0.00 0.00 175.17 178.31 2qha h ASN 185 N 8.34 0.97 -0.31 -0.34 2.35 -1.99 -1.03 115.58 123.57 2qha h ASN 185 Ca -0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2qha h ASN 185 Cb 1.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2qha h ASN 185 CO 0.43 0.63 0.07 -0.08 -1.65 0.00 0.00 177.43 176.83 2qha h GLU 186 N 1.10 0.50 -0.81 0.81 4.81 -1.99 -1.74 114.58 117.26 2qha h GLU 186 Ca 0.39 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2qha h GLU 186 Cb 0.14 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2qha h GLU 186 CO -0.14 0.57 0.52 -0.09 -0.73 0.00 0.00 179.01 179.14 2qha h ARG 187 N 0.33 1.07 -0.33 1.92 9.65 -1.83 0.01 114.38 125.20 2qha h ARG 187 Ca 0.10 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2qha h ARG 187 Cb 0.31 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 2qha h ARG 187 CO 0.00 0.73 0.19 0.82 2.80 0.00 0.00 179.97 184.51 2qha h ILE 188 N 1.10 1.04 -0.54 1.20 2.04 -1.08 0.45 117.51 121.72 2qha h ILE 188 Ca 0.29 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 2qha h ILE 188 Cb -0.10 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2qha h ILE 188 CO -0.06 0.07 0.01 0.77 0.00 0.00 0.00 178.15 178.94 2qha h SER 189 N 0.40 0.87 -0.59 1.72 4.64 -0.90 -2.36 113.55 117.32 2qha h SER 189 Ca 0.13 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 2qha h SER 189 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2qha h SER 189 CO -0.06 0.93 0.00 -0.07 -0.87 0.00 0.00 176.83 176.76 2qha h LEU 190 N 0.84 1.03 -0.31 5.97 3.38 -0.73 -1.89 115.31 123.59 2qha h LEU 190 Ca 0.16 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2qha h LEU 190 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2qha h LEU 190 CO 0.02 1.08 0.12 0.22 0.09 0.00 0.00 178.44 179.97 2qha h TYR 191 N 0.95 0.21 -0.76 1.13 3.20 -0.72 -0.13 116.97 120.84 2qha h TYR 191 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2qha h TYR 191 Cb 0.56 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2qha h TYR 191 CO 0.04 0.10 0.41 0.87 -1.64 0.00 0.00 178.16 177.94 2qha h LYS 192 N 0.26 1.06 -0.71 1.82 1.57 -1.23 0.89 116.57 120.22 2qha h LYS 192 Ca 0.14 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qha h LYS 192 Cb 0.10 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2qha h LYS 192 CO -0.13 0.78 0.44 1.96 -0.57 0.00 0.00 179.45 181.92 2qha h GLN 193 N 1.06 0.96 -0.19 3.15 4.20 -0.90 -0.67 115.11 122.72 2qha h GLN 193 Ca 0.27 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2qha h GLN 193 Cb 0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2qha h GLN 193 CO -0.04 0.68 0.01 1.25 -0.67 0.00 0.00 178.83 180.05 2qha h LEU 194 N 0.97 0.32 -0.32 1.46 5.85 -0.03 0.81 115.31 124.37 2qha h LEU 194 Ca 0.26 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2qha h LEU 194 Cb -0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2qha h LEU 194 CO -0.05 0.53 0.09 0.22 -0.34 0.00 0.00 178.44 178.90 2qha h TYR 195 N 0.09 0.16 -0.04 1.25 3.20 -0.77 -1.63 116.97 119.24 2qha h TYR 195 Ca 0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2qha h TYR 195 Cb 0.36 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2qha h TYR 195 CO 0.03 0.06 -0.38 0.87 -1.64 0.00 0.00 178.16 177.10 2qha h LYS 196 N 0.22 0.07 -0.28 1.82 1.57 -1.00 0.61 116.57 119.59 2qha h LYS 196 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2qha h LYS 196 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qha h LYS 196 CO -0.17 0.44 0.15 -0.22 -0.57 0.00 0.00 179.45 179.09 2qha h LYS 197 N 0.06 0.39 -0.42 3.15 3.64 -0.44 0.18 116.57 123.13 2qha h LYS 197 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2qha h LYS 197 Cb 0.70 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2qha h LYS 197 CO 0.05 0.33 0.13 0.82 -2.27 0.00 0.00 179.45 178.51 2qha h ILE 198 N 0.33 1.22 -0.21 2.00 2.04 -0.84 -0.10 117.51 121.95 2qha h ILE 198 Ca 0.10 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.26 2qha h ILE 198 Cb 0.06 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2qha h ILE 198 CO -0.02 0.26 0.05 0.22 0.00 0.00 0.00 178.15 178.66 2qha h TYR 199 N 0.53 0.09 -0.64 1.37 3.20 -0.67 0.07 116.97 120.92 2qha h TYR 199 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2qha h TYR 199 Cb 0.27 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2qha h TYR 199 CO 0.01 0.04 0.18 1.25 -1.64 0.00 0.00 178.16 178.00 2qha h HIS 200 N 0.14 1.05 0.00 -3.82 2.76 -0.53 0.34 115.15 115.09 2qha h HIS 200 Ca 0.09 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2qha h HIS 200 Cb 0.08 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.74 2qha h HIS 200 CO -0.14 0.86 -0.00 -0.92 -1.30 0.00 0.00 177.93 176.44 2qha h TYR 201 N 0.93 -0.00 -0.36 5.26 3.20 -0.68 0.73 116.97 126.05 2qha h TYR 201 Ca 0.20 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2qha h TYR 201 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2qha h TYR 201 CO 0.02 0.15 -0.15 0.52 -1.64 0.00 0.00 178.16 177.07 2qha h MET 202 N -0.15 0.74 0.00 1.82 2.86 -0.90 0.03 114.93 119.33 2qha h MET 202 Ca -0.00 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2qha h MET 202 Cb 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2qha h MET 202 CO 0.00 0.92 -0.36 1.15 1.06 0.00 0.00 176.91 179.67 2qha h THR 203 N 0.53 1.24 0.00 2.22 2.02 -0.94 -0.67 112.91 117.31 2qha h THR 203 Ca 0.08 -2.06 -0.12 0.00 0.77 0.00 0.00 66.41 65.08 2qha h THR 203 Cb 0.68 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2qha h THR 203 CO 0.05 0.42 -0.89 0.44 0.37 0.00 0.00 175.52 175.91 2qha h ASP 204 N -1.00 0.00 -0.36 4.18 3.32 -1.04 -2.52 116.42 119.00 2qha h ASP 204 Ca -0.09 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 2qha h ASP 204 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2qha h ASP 204 CO -0.06 1.14 0.09 0.74 -1.72 0.00 0.00 179.24 179.44 2qha h THR 205 N -1.00 1.22 -0.00 0.35 2.02 -1.26 -3.22 112.91 111.02 2qha h THR 205 Ca -0.19 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2qha h THR 205 Cb 0.93 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2qha h THR 205 CO -0.11 0.26 -0.72 0.54 0.37 0.00 0.00 175.52 175.85 2qha n ARG 206 N -4.60 0.27 -3.17 6.66 5.12 -0.01 -4.98 116.66 115.94 2qha n ARG 206 Ca -0.01 -0.21 -0.23 0.00 -1.93 0.00 0.00 57.85 55.47 2qha n ARG 206 Cb 0.20 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.04 2qha n ARG 206 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qha n GLY 207 N 1.47 -0.52 3.58 -0.13 0.00 -0.95 -4.92 105.19 103.72 2qha n GLY 207 Ca 0.06 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2qha n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qha s LEU 208 N -6.80 3.83 -0.11 0.99 1.43 -0.27 -4.88 118.68 112.88 2qha s LEU 208 Ca 0.37 0.27 0.15 0.00 -1.03 0.00 0.00 54.13 53.88 2qha s LEU 208 Cb -0.17 -3.35 0.48 0.00 0.03 0.00 0.00 46.19 43.18 2qha s LEU 208 CO 0.46 -1.15 1.40 0.47 0.23 0.00 0.00 176.35 177.76 2qha n ASP 209 N 7.49 3.71 -0.34 2.29 8.00 -1.26 -4.40 116.55 132.04 2qha n ASP 209 Ca 0.09 -2.56 0.05 0.00 0.71 0.00 0.00 54.79 53.08 2qha n ASP 209 Cb 0.49 -0.44 0.12 0.00 -0.02 0.00 0.00 41.12 41.27 2qha n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qha n HIS 210 N 0.12 0.29 -3.95 1.24 1.44 -1.26 -0.08 115.22 113.01 2qha n HIS 210 Ca 0.19 -0.69 -0.35 0.00 -2.01 0.00 0.00 57.72 54.85 2qha n HIS 210 Cb 0.73 -0.12 -0.08 0.00 0.12 0.00 0.00 29.99 30.64 2qha n HIS 210 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2qha s LEU 211 N -1.78 4.02 -0.24 2.39 1.43 -1.26 -1.08 118.68 122.16 2qha s LEU 211 Ca 0.21 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 2qha s LEU 211 Cb 0.16 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2qha s LEU 211 CO 0.06 0.26 0.02 -0.63 0.23 0.00 0.00 176.35 176.29 2qha s ILE 212 N -0.14 3.84 -0.18 -0.59 1.01 -0.15 -4.88 121.20 120.13 2qha s ILE 212 Ca 0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2qha s ILE 212 Cb -0.12 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2qha s ILE 212 CO 0.01 0.38 0.48 0.26 0.00 0.00 0.00 174.94 176.06 2qha s TRP 213 N 1.55 3.41 -0.16 3.97 0.52 -1.26 -0.35 118.94 126.63 2qha s TRP 213 Ca 0.06 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.97 2qha s TRP 213 Cb -0.15 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.58 2qha s TRP 213 CO 0.00 -0.00 -0.18 0.08 0.02 0.00 0.00 176.95 176.87 2qha s VAL 214 N 1.26 2.36 -0.28 4.03 1.01 -0.17 -0.32 120.40 128.29 2qha s VAL 214 Ca 0.24 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2qha s VAL 214 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2qha s VAL 214 CO 0.09 0.53 0.13 -0.47 0.00 0.00 0.00 175.10 175.38 2qha s TYR 215 N 0.93 3.15 -0.49 5.22 5.04 -0.05 -4.15 117.35 127.00 2qha s TYR 215 Ca -0.04 -0.33 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 2qha s TYR 215 Cb -0.15 -2.31 0.16 0.00 0.35 0.00 0.00 41.96 40.01 2qha s TYR 215 CO -0.03 -0.34 0.36 -1.12 -1.34 0.00 0.00 175.55 173.08 2qha s SER 216 N 1.65 2.64 0.89 4.32 0.01 -1.26 -0.98 113.70 120.97 2qha s SER 216 Ca 0.06 -3.16 -0.11 0.00 1.31 0.00 0.00 55.95 54.04 2qha s SER 216 Cb -0.16 -0.80 0.13 0.00 0.21 0.00 0.00 66.02 65.39 2qha s SER 216 CO 0.06 -0.17 1.09 -2.16 0.41 0.00 0.00 173.24 172.48 2qha s PRO 217 N -0.23 1.26 0.20 12.44 0.04 -1.20 -0.23 135.00 147.28 2qha s PRO 217 Ca 0.28 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 2qha s PRO 217 Cb -0.03 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 2qha s PRO 217 CO -0.15 -2.29 1.02 0.34 0.04 0.00 0.00 177.00 175.96 2qha s ASP 218 N -3.24 7.43 0.49 6.66 2.15 -1.26 -1.54 116.67 127.36 2qha s ASP 218 Ca 0.64 2.01 0.32 0.00 0.43 0.00 0.00 52.55 55.95 2qha s ASP 218 Cb -0.19 -2.61 1.39 0.00 -0.30 0.00 0.00 42.92 41.22 2qha s ASP 218 CO 0.57 -0.06 1.96 0.00 -0.17 0.00 0.00 175.17 177.47 2qha h ALA 219 N 4.73 1.00 -0.41 3.66 0.00 -1.42 -3.22 119.26 123.61 2qha h ALA 219 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qha h ALA 219 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qha h ALA 219 CO 0.70 0.00 0.00 0.09 0.00 0.00 0.00 179.25 180.04 2qha n ASN 220 N -2.87 4.29 -4.21 0.00 5.03 -1.26 -4.41 115.26 111.83 2qha n ASN 220 Ca 0.00 -2.76 -0.14 0.00 0.87 0.00 0.00 54.58 52.56 2qha n ASN 220 Cb 0.25 -0.53 -0.10 0.00 -1.02 0.00 0.00 39.78 38.37 2qha n ASN 220 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2qha s ARG 221 N -2.38 0.94 0.98 3.52 1.81 -1.22 -5.09 118.95 117.51 2qha s ARG 221 Ca 0.44 -1.31 -0.17 0.00 -1.72 0.00 0.00 55.73 52.97 2qha s ARG 221 Cb 0.32 -0.54 0.23 0.00 -0.45 0.00 0.00 34.95 34.52 2qha s ARG 221 CO 0.14 0.07 1.07 -0.25 -0.68 0.00 0.00 175.30 175.65 2qha n ASP 222 N 0.15 -0.95 -2.06 0.23 8.00 -1.26 -4.48 116.55 116.18 2qha n ASP 222 Ca -0.13 -1.26 -0.17 0.00 0.71 0.00 0.00 54.79 53.95 2qha n ASP 222 Cb 0.59 -0.89 0.01 0.00 -0.02 0.00 0.00 41.12 40.81 2qha n ASP 222 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qha n PHE 223 N -4.11 -1.07 0.08 1.24 3.72 -1.26 -4.82 117.46 111.24 2qha n PHE 223 Ca 0.14 0.17 0.06 0.00 -0.05 0.00 0.00 57.45 57.77 2qha n PHE 223 Cb 0.52 -3.47 0.51 0.00 -0.94 0.00 0.00 39.48 36.10 2qha n PHE 223 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2qha h LYS 224 N -0.44 0.33 0.00 -1.08 1.57 -1.92 -2.78 116.57 112.25 2qha h LYS 224 Ca -0.39 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2qha h LYS 224 Cb 1.28 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2qha h LYS 224 CO 0.45 0.22 -0.96 0.25 -0.57 0.00 0.00 179.45 178.84 2qha n THR 225 N -4.49 0.00 0.05 -0.16 -2.24 -1.26 -4.55 114.28 101.62 2qha n THR 225 Ca 0.02 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2qha n THR 225 Cb 0.11 0.78 0.40 0.00 -2.10 0.00 0.00 70.33 69.52 2qha n THR 225 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qha h ASP 226 N 0.00 0.38 0.08 3.42 3.32 -1.88 -2.21 116.42 119.52 2qha h ASP 226 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2qha h ASP 226 Cb 0.44 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2qha h ASP 226 CO 0.00 0.38 -0.03 0.49 -1.72 0.00 0.00 179.24 178.36 2qha n PHE 227 N -4.39 0.00 -1.68 4.55 3.72 -1.24 -4.91 117.46 113.51 2qha n PHE 227 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2qha n PHE 227 Cb 0.16 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2qha n PHE 227 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2qha s TYR 228 N -2.11 1.30 -0.85 1.38 5.04 -0.84 -4.71 117.35 116.55 2qha s TYR 228 Ca 0.39 -0.35 0.23 0.00 -2.44 0.00 0.00 57.07 54.90 2qha s TYR 228 Cb 0.21 -4.21 0.92 0.00 0.35 0.00 0.00 41.96 39.23 2qha s TYR 228 CO 0.38 -5.38 1.71 -0.35 -1.34 0.00 0.00 175.55 170.57 2qha n PRO 229 N 7.63 0.09 0.00 4.97 -0.04 -1.26 -4.98 135.00 141.41 2qha n PRO 229 Ca 0.21 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2qha n PRO 229 Cb 0.41 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2qha n PRO 229 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qha n GLY 230 N 0.70 3.61 0.32 0.55 0.00 -1.26 -4.86 105.19 104.25 2qha n GLY 230 Ca 0.05 -1.77 0.19 0.00 0.00 0.00 0.00 46.02 44.49 2qha n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qha h ALA 231 N 0.00 1.20 0.00 4.61 0.00 -1.93 -2.08 119.26 121.06 2qha h ALA 231 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qha h ALA 231 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qha h ALA 231 CO 0.00 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.69 2qha n SER 232 N -3.39 0.00 0.00 0.00 7.64 -1.26 -3.84 113.62 112.77 2qha n SER 232 Ca -0.03 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2qha n SER 232 Cb 0.10 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2qha n SER 232 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2qha n TYR 233 N -1.27 0.00 -4.06 1.43 4.01 -0.78 -4.79 117.16 111.69 2qha n TYR 233 Ca 0.14 -0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 2qha n TYR 233 Cb 0.22 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.07 2qha n TYR 233 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qha s VAL 234 N -0.25 0.38 -0.20 -0.72 1.01 -1.21 -4.86 120.40 114.54 2qha s VAL 234 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2qha s VAL 234 Cb 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 36.38 35.74 2qha s VAL 234 CO 0.00 0.19 0.02 0.47 0.00 0.00 0.00 175.10 175.78 2qha n ASP 235 N 4.10 2.03 -4.04 3.32 8.00 0.56 -4.82 116.55 125.69 2qha n ASP 235 Ca -0.25 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.09 2qha n ASP 235 Cb 0.51 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.81 2qha n ASP 235 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qha s ILE 236 N -2.53 0.91 0.18 0.53 1.01 -0.49 -4.07 121.20 116.74 2qha s ILE 236 Ca -0.30 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2qha s ILE 236 Cb 0.08 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2qha s ILE 236 CO 0.66 0.27 0.04 0.68 0.00 0.00 0.00 174.94 176.59 2qha s VAL 237 N -0.02 3.93 0.12 2.92 -7.23 -0.27 -0.88 120.40 118.97 2qha s VAL 237 Ca 0.00 -1.36 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 2qha s VAL 237 Cb -0.07 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 33.94 2qha s VAL 237 CO 0.00 -0.13 1.00 -0.83 -0.31 0.00 0.00 175.10 174.83 2qha s GLY 238 N -3.06 -0.27 -0.14 2.32 0.00 -0.15 -1.15 107.32 104.87 2qha s GLY 238 Ca 0.29 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 2qha s GLY 238 CO 0.20 0.04 -0.01 1.08 0.00 0.00 0.00 173.10 174.41 2qha s LEU 239 N -2.91 3.41 -0.44 0.66 1.43 -0.73 -3.23 118.68 116.86 2qha s LEU 239 Ca 0.12 -0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.93 2qha s LEU 239 Cb -0.01 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2qha s LEU 239 CO 0.01 0.22 0.89 -1.81 0.23 0.00 0.00 176.35 175.89 2qha s ASP 240 N 0.07 6.51 -0.26 2.29 1.11 -0.59 -1.17 116.67 124.64 2qha s ASP 240 Ca 0.01 0.15 0.02 0.00 0.18 0.00 0.00 52.55 52.91 2qha s ASP 240 Cb -0.13 -2.44 0.07 0.00 1.07 0.00 0.00 42.92 41.49 2qha s ASP 240 CO 0.02 -0.98 -0.05 0.00 1.18 0.00 0.00 175.17 175.34 2qha s ALA 241 N 3.60 2.22 -0.20 5.23 0.00 0.13 -1.08 121.76 131.66 2qha s ALA 241 Ca 0.36 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2qha s ALA 241 Cb -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2qha s ALA 241 CO 0.24 -1.26 -0.07 0.71 0.00 0.00 0.00 175.76 175.37 2qha s TYR 242 N 1.27 2.92 0.22 0.00 2.02 -1.26 -2.49 117.35 120.03 2qha s TYR 242 Ca -0.05 -0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 55.53 2qha s TYR 242 Cb -0.19 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2qha s TYR 242 CO -0.07 -0.51 0.55 -0.59 -1.57 0.00 0.00 175.55 173.36 2qha s PHE 243 N 1.25 -0.02 -0.25 2.71 -0.12 -0.94 -4.57 117.98 116.03 2qha s PHE 243 Ca 0.03 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2qha s PHE 243 Cb -0.14 0.40 -0.16 0.00 -0.63 0.00 0.00 43.02 42.49 2qha s PHE 243 CO -0.03 -0.99 -0.23 1.04 -0.05 0.00 0.00 175.22 174.97 2qha n GLN 244 N -0.37 0.62 -3.57 1.99 1.13 -1.26 -2.04 117.38 113.87 2qha n GLN 244 Ca -0.07 0.15 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 2qha n GLN 244 Cb 0.62 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.37 2qha n GLN 244 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qha s ASP 245 N -6.45 5.77 0.35 1.08 2.15 -1.26 -4.96 116.67 113.34 2qha s ASP 245 Ca -0.34 -1.14 0.26 0.00 0.43 0.00 0.00 52.55 51.77 2qha s ASP 245 Cb 0.09 -2.04 1.16 0.00 -0.30 0.00 0.00 42.92 41.84 2qha s ASP 245 CO 0.57 -0.45 1.79 0.00 -0.17 0.00 0.00 175.17 176.91 2qha h ALA 246 N 8.47 1.00 -0.41 3.66 0.00 -1.91 -3.19 119.26 126.88 2qha h ALA 246 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qha h ALA 246 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qha h ALA 246 CO 0.71 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.62 2qha n TYR 247 N -2.46 0.53 -2.10 0.00 4.01 -1.26 -4.23 117.16 111.65 2qha n TYR 247 Ca 0.01 -0.27 0.04 0.00 -0.16 0.00 0.00 57.90 57.52 2qha n TYR 247 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 2qha n TYR 247 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qha n SER 248 N 1.43 1.03 -4.72 7.72 3.41 -1.20 -5.07 113.62 116.21 2qha n SER 248 Ca 0.20 -2.46 -0.42 0.00 -0.26 0.00 0.00 58.87 55.93 2qha n SER 248 Cb 0.59 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2qha n SER 248 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qha s ILE 249 N -0.87 3.56 0.16 -1.33 1.01 -1.26 -5.02 121.20 117.46 2qha s ILE 249 Ca 0.27 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 62.06 2qha s ILE 249 Cb 0.29 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2qha s ILE 249 CO -0.10 0.13 0.41 0.20 0.00 0.00 0.00 174.94 175.59 2qha s ASN 250 N 0.71 6.52 0.00 3.58 0.02 -1.26 -4.66 114.94 119.85 2qha s ASN 250 Ca 0.58 0.66 0.00 0.00 -1.02 0.00 0.00 52.86 53.08 2qha s ASN 250 Cb -0.34 -2.12 0.00 0.00 0.02 0.00 0.00 41.25 38.82 2qha s ASN 250 CO 0.33 0.03 0.00 0.61 0.02 0.00 0.00 177.10 178.09 2qha n GLY 251 N 0.05 1.12 0.11 0.66 0.00 -1.26 -4.80 105.19 101.07 2qha n GLY 251 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2qha n GLY 251 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qha h TYR 252 N 0.00 0.27 -0.35 1.61 3.20 -1.97 -1.31 116.97 118.41 2qha h TYR 252 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2qha h TYR 252 Cb 0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2qha h TYR 252 CO 0.00 0.27 0.20 -0.44 -1.64 0.00 0.00 178.16 176.55 2qha h ASP 253 N 0.19 0.44 -0.48 -2.11 3.32 -1.94 -0.94 116.42 114.90 2qha h ASP 253 Ca 0.07 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.08 2qha h ASP 253 Cb 0.10 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2qha h ASP 253 CO -0.01 0.38 0.24 1.56 -1.72 0.00 0.00 179.24 179.70 2qha h GLN 254 N 0.45 0.47 0.07 3.56 4.20 -1.95 -1.90 115.11 120.01 2qha h GLN 254 Ca 0.13 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.52 2qha h GLN 254 Cb 0.04 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.74 2qha h GLN 254 CO -0.02 0.31 -1.16 -0.07 -0.67 0.00 0.00 178.83 177.22 2qha h LEU 255 N 0.48 0.86 -1.70 1.46 3.38 -1.15 -3.16 115.31 115.48 2qha h LEU 255 Ca 0.21 -0.75 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2qha h LEU 255 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2qha h LEU 255 CO -0.14 1.56 -0.17 0.71 0.09 0.00 0.00 178.44 180.49 2qha h THR 256 N 0.31 0.66 0.00 0.22 1.35 -1.11 -1.49 112.91 112.85 2qha h THR 256 Ca -0.16 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2qha h THR 256 Cb 1.82 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2qha h THR 256 CO 0.22 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 175.66 2qha h ALA 257 N 1.83 1.00 0.00 6.62 0.00 -1.30 -1.65 119.26 125.75 2qha h ALA 257 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qha h ALA 257 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qha h ALA 257 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2qha n LEU 258 N -2.42 0.00 -3.60 0.00 4.77 -0.56 -4.91 117.00 110.28 2qha n LEU 258 Ca -0.00 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 2qha n LEU 258 Cb 0.13 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2qha n LEU 258 CO 0.16 -0.03 0.20 0.59 -1.33 0.00 0.00 177.39 176.98 2qha n ASN 259 N -1.25 -5.30 -4.30 -1.43 3.02 -0.62 -5.02 115.26 100.36 2qha n ASN 259 Ca 0.14 -0.58 -0.24 0.00 -0.03 0.00 0.00 54.58 53.87 2qha n ASN 259 Cb 0.20 -4.93 -0.12 0.00 -0.61 0.00 0.00 39.78 34.31 2qha n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qha s LYS 260 N -6.16 1.17 0.41 3.52 -0.14 -1.26 -5.12 119.74 112.15 2qha s LYS 260 Ca 0.47 -1.21 -0.25 0.00 -1.36 0.00 0.00 55.97 53.62 2qha s LYS 260 Cb -0.21 -1.41 -0.11 0.00 -1.68 0.00 0.00 37.83 34.42 2qha s LYS 260 CO 0.74 0.32 1.07 -2.30 -0.76 0.00 0.00 175.35 174.42 2qha n PRO 261 N 0.94 1.49 -4.67 -1.68 -0.02 -1.26 -4.67 135.00 125.13 2qha n PRO 261 Ca -0.18 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2qha n PRO 261 Cb 0.54 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 2qha n PRO 261 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qha s PHE 262 N -1.24 2.82 0.05 6.00 5.36 -1.26 -1.12 117.98 128.60 2qha s PHE 262 Ca 0.62 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.49 2qha s PHE 262 Cb -0.56 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2qha s PHE 262 CO 0.57 0.29 0.03 0.00 -1.46 0.00 0.00 175.22 174.66 2qha s ALA 263 N -0.84 0.23 -0.91 11.12 0.00 -0.30 -0.63 121.76 130.42 2qha s ALA 263 Ca 0.13 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 2qha s ALA 263 Cb -0.11 0.30 0.11 0.00 0.00 0.00 0.00 23.12 23.42 2qha s ALA 263 CO 0.03 -0.37 1.16 -0.06 0.00 0.00 0.00 175.76 176.52 2qha s PHE 264 N -3.46 2.97 -0.02 0.00 0.08 -0.18 -1.77 117.98 115.60 2qha s PHE 264 Ca 0.02 -1.21 0.29 0.00 0.12 0.00 0.00 56.93 56.16 2qha s PHE 264 Cb 0.04 -4.35 1.04 0.00 -0.57 0.00 0.00 43.02 39.18 2qha s PHE 264 CO -0.08 -1.58 1.87 1.79 -0.10 0.00 0.00 175.22 177.11 2qha h THR 265 N 6.01 0.10 -3.53 0.64 1.35 -1.40 -1.23 112.91 114.84 2qha h THR 265 Ca 0.12 -0.75 -0.16 0.00 -0.55 0.00 0.00 66.41 65.07 2qha h THR 265 Cb 1.03 1.68 -0.22 0.00 -1.73 0.00 0.00 68.15 68.91 2qha h THR 265 CO 1.17 0.04 -0.52 -1.61 -0.25 0.00 0.00 175.52 174.35 2qha s GLU 266 N -3.55 0.41 -0.04 4.72 2.02 -1.18 -4.42 118.70 116.66 2qha s GLU 266 Ca 0.02 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 2qha s GLU 266 Cb 0.08 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.50 2qha s GLU 266 CO 0.59 -0.09 0.20 0.54 0.02 0.00 0.00 175.26 176.52 2qha s VAL 267 N -1.11 0.04 0.00 2.63 0.11 -0.22 -0.69 120.40 121.16 2qha s VAL 267 Ca -0.12 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2qha s VAL 267 Cb -0.07 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2qha s VAL 267 CO 0.01 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 2qha n GLY 268 N 2.13 0.24 3.76 6.54 0.00 -1.04 -1.63 105.19 115.19 2qha n GLY 268 Ca -0.18 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2qha n GLY 268 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qha s PRO 269 N -2.00 3.66 0.02 1.61 0.04 -1.26 -2.21 135.00 134.86 2qha s PRO 269 Ca 0.00 2.19 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 2qha s PRO 269 Cb 0.00 -2.56 -0.16 0.00 0.04 0.00 0.00 34.50 31.82 2qha s PRO 269 CO 0.00 -0.76 1.31 0.37 0.04 0.00 0.00 177.00 177.96 2qha h GLN 270 N 2.20 0.28 -4.70 4.56 4.15 -1.66 -3.40 115.11 116.54 2qha h GLN 270 Ca -0.50 -0.15 -0.68 0.00 0.77 0.00 0.00 58.65 58.08 2qha h GLN 270 Cb 1.26 0.01 -0.35 0.00 0.21 0.00 0.00 27.48 28.61 2qha h GLN 270 CO 0.61 0.71 -0.68 0.95 -1.93 0.00 0.00 178.83 178.48 2qha s THR 271 N -4.22 2.81 -0.45 2.39 -4.23 -1.26 -4.95 115.64 105.72 2qha s THR 271 Ca -0.15 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 58.29 2qha s THR 271 Cb 0.04 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.11 2qha s THR 271 CO 0.74 -0.34 1.37 0.00 -0.54 0.00 0.00 174.62 175.84 2qha s ALA 272 N 1.13 3.02 -0.29 3.99 0.00 -1.26 -4.91 121.76 123.44 2qha s ALA 272 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2qha s ALA 272 Cb -0.20 -3.96 0.17 0.00 0.00 0.00 0.00 23.12 19.13 2qha s ALA 272 CO -0.04 -2.47 0.49 0.54 0.00 0.00 0.00 175.76 174.28 2qha s ASN 273 N 3.78 -0.49 0.00 0.00 2.20 -1.26 -5.05 114.94 114.11 2qha s ASN 273 Ca 0.57 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.49 2qha s ASN 273 Cb -0.12 1.53 0.00 0.00 -2.00 0.00 0.00 41.25 40.66 2qha s ASN 273 CO 0.31 -0.32 0.00 0.61 -2.94 0.00 0.00 177.10 174.76 2qha n GLY 274 N 5.38 0.00 0.00 0.45 0.00 -1.26 -4.15 105.19 105.61 2qha n GLY 274 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2qha n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qha n SER 275 N 0.98 0.18 -4.71 1.61 3.41 -1.26 -4.42 113.62 109.41 2qha n SER 275 Ca 0.00 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 2qha n SER 275 Cb 0.00 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2qha n SER 275 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2qha s PHE 276 N -0.22 3.00 -0.48 7.33 2.19 -1.26 -4.65 117.98 123.90 2qha s PHE 276 Ca 0.00 0.67 -0.14 0.00 0.33 0.00 0.00 56.93 57.78 2qha s PHE 276 Cb 0.00 -3.86 0.09 0.00 -1.31 0.00 0.00 43.02 37.93 2qha s PHE 276 CO 0.00 -3.20 0.39 0.34 1.83 0.00 0.00 175.22 174.58 2qha s ASP 277 N 1.35 6.05 0.58 6.13 -1.08 -1.26 -1.86 116.67 126.57 2qha s ASP 277 Ca 0.69 -1.47 0.38 0.00 -0.52 0.00 0.00 52.55 51.63 2qha s ASP 277 Cb -0.41 -2.15 1.82 0.00 -1.46 0.00 0.00 42.92 40.73 2qha s ASP 277 CO 0.31 -0.67 2.13 1.88 0.52 0.00 0.00 175.17 179.34 2qha h TYR 278 N 8.70 0.00 -0.21 -5.34 -1.99 -1.17 -1.95 116.97 115.02 2qha h TYR 278 Ca -0.27 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.41 2qha h TYR 278 Cb 1.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 2qha h TYR 278 CO 0.65 0.00 -0.08 0.66 -0.00 0.00 0.00 178.16 179.39 2qha h SER 279 N 0.00 0.30 0.58 3.88 4.64 -1.75 -2.44 113.55 118.75 2qha h SER 279 Ca 0.00 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 2qha h SER 279 Cb 0.25 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2qha h SER 279 CO 0.00 0.42 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.63 2qha h LEU 280 N 0.31 0.11 -0.11 5.97 3.38 -1.73 -2.31 115.31 120.92 2qha h LEU 280 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qha h LEU 280 Cb 0.34 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qha h LEU 280 CO 0.02 0.76 0.03 0.15 0.09 0.00 0.00 178.44 179.49 2qha h PHE 281 N 0.06 0.18 -0.39 1.13 3.57 -1.44 0.27 116.94 120.32 2qha h PHE 281 Ca -0.01 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2qha h PHE 281 Cb 1.21 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2qha h PHE 281 CO 0.01 0.32 -0.11 0.97 -2.23 0.00 0.00 178.31 177.27 2qha h ILE 282 N -0.01 1.25 -0.58 1.41 6.09 -1.48 -0.98 117.51 123.21 2qha h ILE 282 Ca 0.04 -1.12 -0.00 0.00 -1.37 0.00 0.00 64.86 62.40 2qha h ILE 282 Cb 0.22 1.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 2qha h ILE 282 CO -0.00 0.38 0.34 -1.13 -3.07 0.00 0.00 178.15 174.67 2qha h ASN 283 N 0.63 0.69 -0.27 2.19 -0.73 -1.31 -2.55 115.58 114.23 2qha h ASN 283 Ca 0.11 -0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.13 2qha h ASN 283 Cb 0.55 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 2qha h ASN 283 CO 0.03 0.55 -0.12 0.00 -0.37 0.00 0.00 177.43 177.53 2qha h ALA 284 N 1.17 1.07 -0.36 1.57 0.00 -0.60 -1.75 119.26 120.35 2qha h ALA 284 Ca 0.21 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2qha h ALA 284 Cb -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 2qha h ALA 284 CO -0.04 0.57 -0.07 0.82 0.00 0.00 0.00 179.25 180.53 2qha h ILE 285 N 0.63 0.66 -0.73 0.00 2.04 -0.94 0.38 117.51 119.54 2qha h ILE 285 Ca 0.11 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2qha h ILE 285 Cb 0.57 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2qha h ILE 285 CO 0.04 0.00 0.31 0.11 0.00 0.00 0.00 178.15 178.60 2qha h LYS 286 N 0.02 1.08 0.22 2.37 1.57 -1.04 -0.50 116.57 120.28 2qha h LYS 286 Ca 0.17 -0.18 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 2qha h LYS 286 Cb 0.26 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.42 2qha h LYS 286 CO -0.36 0.86 -1.29 1.96 -0.57 0.00 0.00 179.45 180.06 2qha h GLN 287 N 1.06 0.48 0.00 3.15 4.20 -0.97 -3.42 115.11 119.61 2qha h GLN 287 Ca 0.25 -0.81 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2qha h GLN 287 Cb 0.18 0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2qha h GLN 287 CO -0.02 1.39 -0.91 0.54 -0.67 0.00 0.00 178.83 179.15 2qha n ARG 288 N -3.84 3.19 -2.56 1.46 1.74 0.13 -4.86 116.66 111.93 2qha n ARG 288 Ca -0.16 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 2qha n ARG 288 Cb 1.02 -0.95 0.01 0.00 -1.02 0.00 0.00 32.46 31.52 2qha n ARG 288 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qha n TYR 289 N -1.79 2.60 0.26 -1.55 4.01 -0.31 -4.95 117.16 115.43 2qha n TYR 289 Ca 0.00 -3.03 0.13 0.00 -0.16 0.00 0.00 57.90 54.84 2qha n TYR 289 Cb 0.39 -0.20 0.73 0.00 -0.31 0.00 0.00 39.34 39.96 2qha n TYR 289 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qha h PRO 290 N 2.74 0.00 0.00 -0.72 0.13 -1.51 -1.97 132.00 130.67 2qha h PRO 290 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2qha h PRO 290 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2qha h PRO 290 CO 0.72 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.23 2qha n LYS 291 N -3.70 0.23 -1.67 0.86 5.02 -1.26 -4.82 118.16 112.82 2qha n LYS 291 Ca -0.02 0.12 -0.50 0.00 -2.02 0.00 0.00 58.31 55.90 2qha n LYS 291 Cb 0.22 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 2qha n LYS 291 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2qha n THR 292 N -1.31 0.26 0.26 -0.18 -1.04 -0.74 -4.17 114.28 107.36 2qha n THR 292 Ca 0.08 -0.05 0.09 0.00 -2.04 0.00 0.00 64.05 62.13 2qha n THR 292 Cb 0.15 -1.49 -0.13 0.00 -1.82 0.00 0.00 70.33 67.04 2qha n THR 292 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2qha n ILE 293 N 4.09 0.00 -3.49 12.58 -5.35 0.20 -4.57 119.36 122.82 2qha n ILE 293 Ca 0.21 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 2qha n ILE 293 Cb 0.25 0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.50 2qha n ILE 293 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2qha s TYR 294 N -3.08 -0.48 0.07 4.28 -0.85 -1.26 -0.83 117.35 115.20 2qha s TYR 294 Ca -0.02 0.24 0.06 0.00 -0.52 0.00 0.00 57.07 56.83 2qha s TYR 294 Cb 0.12 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 43.01 2qha s TYR 294 CO 0.75 -0.89 -0.17 -0.59 -1.52 0.00 0.00 175.55 173.13 2qha s PHE 295 N -3.74 1.50 -0.34 -3.49 -0.12 -0.50 -1.01 117.98 110.28 2qha s PHE 295 Ca 0.03 -0.41 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2qha s PHE 295 Cb -0.02 -0.85 0.10 0.00 -0.63 0.00 0.00 43.02 41.62 2qha s PHE 295 CO -0.10 0.11 0.07 -1.17 -0.05 0.00 0.00 175.22 174.08 2qha s LEU 296 N -1.58 4.17 0.28 -1.99 2.96 -0.46 -0.91 118.68 121.16 2qha s LEU 296 Ca 0.03 -2.08 -0.29 0.00 -0.22 0.00 0.00 54.13 51.58 2qha s LEU 296 Cb -0.09 -1.45 -0.09 0.00 0.50 0.00 0.00 46.19 45.05 2qha s LEU 296 CO 0.03 -0.38 1.02 0.00 -1.32 0.00 0.00 176.35 175.69 2qha s ALA 297 N 1.01 3.32 1.02 5.97 0.00 -0.46 -1.05 121.76 131.58 2qha s ALA 297 Ca 0.11 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 2qha s ALA 297 Cb -0.19 -3.26 0.20 0.00 0.00 0.00 0.00 23.12 19.87 2qha s ALA 297 CO -0.11 -0.00 1.11 -0.46 0.00 0.00 0.00 175.76 176.30 2qha s TRP 298 N -1.28 1.87 0.00 0.00 -0.11 -0.65 -1.15 118.94 117.64 2qha s TRP 298 Ca 0.45 0.84 0.00 0.00 1.22 0.00 0.00 56.10 58.62 2qha s TRP 298 Cb -0.27 -3.35 0.00 0.00 -1.50 0.00 0.00 33.47 28.35 2qha s TRP 298 CO 0.34 -3.00 0.00 0.27 -4.62 0.00 0.00 176.95 169.95 2qha n ASN 299 N -4.21 0.00 0.00 5.86 6.94 -1.26 -3.12 115.26 119.47 2qha n ASN 299 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2qha n ASN 299 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 2qha n ASN 299 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2qha n ASP 300 N 0.00 0.00 0.12 0.53 8.00 -1.26 -1.70 116.55 122.23 2qha n ASP 300 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2qha n ASP 300 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 2qha n ASP 300 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qha n GLU 301 N 14.00 0.14 0.04 -1.24 4.71 -1.26 -1.82 120.64 135.20 2qha n GLU 301 Ca 0.00 0.48 0.12 0.00 -0.01 0.00 0.00 57.16 57.75 2qha n GLU 301 Cb 0.00 -1.83 0.25 0.00 -1.01 0.00 0.00 31.44 28.85 2qha n GLU 301 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 2qha n TRP 302 N -2.10 0.32 -2.00 -0.32 8.01 -0.69 -4.78 117.44 115.88 2qha n TRP 302 Ca 0.01 0.09 -0.41 0.00 -1.31 0.00 0.00 57.50 55.89 2qha n TRP 302 Cb 0.14 -0.51 -0.01 0.00 -2.01 0.00 0.00 31.31 28.92 2qha n TRP 302 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2qha s SER 303 N -3.70 6.57 0.55 -0.99 0.15 -0.76 -4.59 113.70 110.93 2qha s SER 303 Ca 0.09 2.81 0.30 0.00 0.70 0.00 0.00 55.95 59.85 2qha s SER 303 Cb 0.15 -2.65 1.46 0.00 -1.71 0.00 0.00 66.02 63.27 2qha s SER 303 CO 0.69 -0.69 1.91 -0.65 1.20 0.00 0.00 173.24 175.70 2qha h PRO 304 N 3.16 0.00 0.00 5.44 0.11 -1.91 -1.98 132.00 136.83 2qha h PRO 304 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qha h PRO 304 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qha h PRO 304 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2qha h ALA 305 N 1.56 1.00 0.00 -0.75 0.00 -1.90 -2.41 119.26 116.76 2qha h ALA 305 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qha h ALA 305 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2qha h ALA 305 CO -0.00 0.00 -0.02 1.33 0.00 0.00 0.00 179.25 180.56 2qha n VAL 306 N -2.80 1.68 -4.63 0.00 0.24 -0.76 -5.03 118.33 107.03 2qha n VAL 306 Ca 0.01 -1.99 -0.30 0.00 -2.04 0.00 0.00 64.34 60.02 2qha n VAL 306 Cb 0.24 -0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.44 2qha n VAL 306 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2qha s ASN 307 N -2.53 3.43 0.40 -1.34 0.01 -0.90 -4.26 114.94 109.74 2qha s ASN 307 Ca 0.26 -1.73 -0.22 0.00 -0.71 0.00 0.00 52.86 50.47 2qha s ASN 307 Cb 0.23 0.65 -0.11 0.00 0.41 0.00 0.00 41.25 42.43 2qha s ASN 307 CO 0.02 -0.97 0.93 -0.54 -1.51 0.00 0.00 177.10 175.04 2qha s LYS 308 N -3.75 4.29 0.00 -0.60 1.02 -0.78 -4.42 119.74 115.50 2qha s LYS 308 Ca 0.13 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.25 2qha s LYS 308 Cb 0.01 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2qha s LYS 308 CO 0.09 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 2qha n GLY 309 N -0.38 0.55 0.28 -3.33 0.00 -1.26 -0.71 105.19 100.33 2qha n GLY 309 Ca 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 2qha n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qha h ALA 310 N 0.00 0.93 -0.23 4.61 0.00 -1.77 -0.21 119.26 122.58 2qha h ALA 310 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2qha h ALA 310 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2qha h ALA 310 CO 0.00 0.28 -0.05 0.77 0.00 0.00 0.00 179.25 180.26 2qha h SER 311 N 0.93 0.45 -1.00 0.00 0.02 -1.92 -1.08 113.55 110.94 2qha h SER 311 Ca 0.28 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2qha h SER 311 Cb -0.04 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 2qha h SER 311 CO -0.09 0.70 0.66 0.00 -1.14 0.00 0.00 176.83 176.97 2qha h ALA 312 N 0.76 1.32 0.05 3.77 0.00 -1.91 0.14 119.26 123.38 2qha h ALA 312 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qha h ALA 312 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qha h ALA 312 CO 0.02 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.08 2qha h LEU 313 N 1.29 -0.05 -0.00 0.00 5.85 -0.81 -1.81 115.31 119.77 2qha h LEU 313 Ca 0.39 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2qha h LEU 313 Cb -0.04 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2qha h LEU 313 CO -0.11 0.03 -0.07 1.88 -0.34 0.00 0.00 178.44 179.83 2qha h TYR 314 N -0.14 0.00 -0.03 1.25 -1.99 -0.89 -3.24 116.97 111.93 2qha h TYR 314 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2qha h TYR 314 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 2qha h TYR 314 CO -0.05 0.07 -0.03 0.72 -0.00 0.00 0.00 178.16 178.87 2qha n HIS 315 N -3.12 0.00 -1.70 4.88 8.25 0.45 -4.86 115.22 119.13 2qha n HIS 315 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2qha n HIS 315 Cb 0.56 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.69 2qha n HIS 315 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2qha n ASP 316 N 1.08 2.31 0.17 0.41 2.03 -0.68 -4.86 116.55 117.00 2qha n ASP 316 Ca 0.12 1.04 0.16 0.00 0.52 0.00 0.00 54.79 56.63 2qha n ASP 316 Cb 0.51 -1.50 0.77 0.00 -0.72 0.00 0.00 41.12 40.19 2qha n ASP 316 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2qha h SER 317 N 1.74 0.00 1.86 1.67 4.64 -1.93 -1.55 113.55 119.98 2qha h SER 317 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qha h SER 317 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2qha h SER 317 CO 0.58 0.00 -0.05 -0.50 -0.87 0.00 0.00 176.83 175.99 2qha h TRP 318 N 0.00 0.00 -3.45 4.77 4.06 -1.89 0.25 115.95 119.69 2qha h TRP 318 Ca 0.11 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.51 2qha h TRP 318 Cb 0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 2qha h TRP 318 CO 0.00 0.00 0.18 0.99 -3.56 0.00 0.00 178.44 176.05 2qha s THR 319 N -3.20 4.70 -0.19 1.49 2.01 -0.59 0.02 115.64 119.87 2qha s THR 319 Ca 0.07 1.68 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 2qha s THR 319 Cb 0.06 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2qha s THR 319 CO 0.67 0.36 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.60 2qha s LEU 320 N -0.07 2.45 0.51 4.42 0.20 0.42 -4.63 118.68 121.97 2qha s LEU 320 Ca 0.39 -0.53 0.07 0.00 0.69 0.00 0.00 54.13 54.75 2qha s LEU 320 Cb -0.21 -1.58 0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2qha s LEU 320 CO 0.24 0.00 0.46 0.20 -0.29 0.00 0.00 176.35 176.96 2qha s ASN 321 N 1.30 4.82 0.24 3.68 0.02 -1.26 -1.59 114.94 122.16 2qha s ASN 321 Ca 0.04 -1.04 -0.31 0.00 -1.02 0.00 0.00 52.86 50.54 2qha s ASN 321 Cb -0.14 0.11 -0.14 0.00 0.02 0.00 0.00 41.25 41.11 2qha s ASN 321 CO -0.08 -1.02 1.26 1.17 0.02 0.00 0.00 177.10 178.46 2qha n LYS 322 N -1.78 1.71 -0.08 -0.60 4.81 -0.20 -0.84 118.16 121.19 2qha n LYS 322 Ca 0.03 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2qha n LYS 322 Cb 0.63 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2qha n LYS 322 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qha n GLY 323 N 1.79 1.68 0.88 3.14 0.00 -0.58 -4.75 105.19 107.35 2qha n GLY 323 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2qha n GLY 323 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qha n GLU 324 N -2.00 2.14 -0.03 1.61 1.02 -0.02 -4.33 120.64 119.03 2qha n GLU 324 Ca 0.00 -1.98 -0.16 0.00 -0.02 0.00 0.00 57.16 55.00 2qha n GLU 324 Cb 0.00 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 2qha n GLU 324 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2qha h ILE 325 N 3.44 1.68 -2.71 -3.67 2.04 -1.78 -3.45 117.51 113.06 2qha h ILE 325 Ca 0.00 -2.36 -0.66 0.00 1.00 0.00 0.00 64.86 62.84 2qha h ILE 325 Cb 0.82 3.27 -0.07 0.00 -0.74 0.00 0.00 36.82 40.10 2qha h ILE 325 CO 0.00 0.63 -0.45 0.26 0.00 0.00 0.00 178.15 178.60 2qha s TRP 326 N -2.38 3.60 -0.62 1.37 0.52 -1.26 -1.28 118.94 118.89 2qha s TRP 326 Ca -0.17 0.57 -0.05 0.00 0.02 0.00 0.00 56.10 56.47 2qha s TRP 326 Cb -0.01 -1.99 0.16 0.00 -1.15 0.00 0.00 33.47 30.48 2qha s TRP 326 CO 0.74 0.71 0.46 1.21 0.02 0.00 0.00 176.95 180.08 2qha s ASN 327 N -0.96 5.54 1.52 2.95 2.47 0.46 -4.81 114.94 122.10 2qha s ASN 327 Ca 0.16 -2.64 0.00 0.00 0.42 0.00 0.00 52.86 50.80 2qha s ASN 327 Cb -0.12 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 2qha s ASN 327 CO 0.05 -0.46 0.00 0.61 -3.72 0.00 0.00 177.10 173.58 2qha n GLY 328 N 3.84 2.58 0.69 1.21 0.00 -1.26 -3.33 105.19 108.92 2qha n GLY 328 Ca 0.06 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2qha n GLY 328 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qha n ASP 329 N 7.26 2.06 -3.95 1.61 5.68 -1.26 -4.89 116.55 123.05 2qha n ASP 329 Ca 0.00 -1.85 -0.10 0.00 -0.50 0.00 0.00 54.79 52.35 2qha n ASP 329 Cb 0.00 -0.18 -0.11 0.00 -1.14 0.00 0.00 41.12 39.69 2qha n ASP 329 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2qha s SER 330 N -1.35 0.18 0.63 -1.12 0.01 -1.21 -5.14 113.70 105.70 2qha s SER 330 Ca 0.31 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.98 2qha s SER 330 Cb 0.17 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.49 2qha s SER 330 CO 0.24 -0.29 1.15 0.18 0.41 0.00 0.00 173.24 174.93 2qha n LEU 331 N 1.69 5.04 -4.74 2.44 4.77 -1.26 -0.41 117.00 124.53 2qha n LEU 331 Ca -0.23 0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 56.19 2qha n LEU 331 Cb 0.55 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.21 2qha n LEU 331 CO 0.21 -1.38 0.93 0.42 -1.33 0.00 0.00 177.39 176.24 2qha s THR 332 N -1.44 2.16 0.18 -5.08 -4.23 -0.40 -4.60 115.64 102.22 2qha s THR 332 Ca 0.80 0.11 -0.32 0.00 -1.18 0.00 0.00 61.69 61.09 2qha s THR 332 Cb -0.39 -3.05 -0.15 0.00 1.34 0.00 0.00 72.50 70.24 2qha s THR 332 CO 0.43 -0.01 1.17 -2.65 -0.54 0.00 0.00 174.62 173.02 2qha n PRO 333 N -1.45 1.22 -2.08 3.99 -0.02 -1.26 -4.95 135.00 130.46 2qha n PRO 333 Ca 0.13 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 2qha n PRO 333 Cb 0.47 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2qha n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qha s ILE 334 N -0.21 2.82 -0.17 4.25 1.01 -1.26 -5.04 121.20 122.59 2qha s ILE 334 Ca 0.72 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 2qha s ILE 334 Cb -0.83 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2qha s ILE 334 CO 0.52 0.11 -0.04 -0.69 0.00 0.00 0.00 174.94 174.84 2qha s VAL 335 N -0.06 3.69 -2.43 2.92 1.01 -1.26 -5.16 120.40 119.11 2qha s VAL 335 Ca 0.58 -0.42 0.29 0.00 0.00 0.00 0.00 61.98 62.42 2qha s VAL 335 Cb -0.40 -2.63 0.60 0.00 0.00 0.00 0.00 36.38 33.95 2qha s VAL 335 CO 0.43 0.47 1.82 -0.62 0.00 0.00 0.00 175.10 177.19