#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n GLN 2 N 0.00 1.35 -2.01 1.61 3.00 -1.26 -5.11 117.38 114.96 2qal n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qal n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2qal n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qal n LYS 3 N 0.00 -4.55 -2.31 -1.09 5.02 -1.26 -4.98 118.16 109.00 2qal n LYS 3 Ca 0.00 3.34 -0.32 0.00 -2.02 0.00 0.00 58.31 59.31 2qal n LYS 3 Cb 0.00 -3.89 -0.02 0.00 -0.02 0.00 0.00 35.03 31.10 2qal n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qal s VAL 4 N -0.48 4.29 -0.00 -0.18 0.11 -1.26 -4.98 120.40 117.91 2qal s VAL 4 Ca 0.00 1.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.86 2qal s VAL 4 Cb 0.00 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.17 2qal s VAL 4 CO 0.00 -0.61 1.67 -2.28 -3.33 0.00 0.00 175.10 170.54 2qal s HIS 5 N -2.55 2.10 0.06 1.54 2.46 -1.26 -4.93 115.29 112.72 2qal s HIS 5 Ca 0.61 0.21 -0.37 0.00 0.47 0.00 0.00 55.06 55.97 2qal s HIS 5 Cb -0.12 -3.95 -0.20 0.00 -0.13 0.00 0.00 32.58 28.18 2qal s HIS 5 CO 0.32 -3.94 1.56 -1.00 -2.47 0.00 0.00 174.74 169.21 2qal h PRO 6 N 9.14 -1.25 -0.30 2.88 0.13 -1.95 0.30 132.00 140.94 2qal h PRO 6 Ca -0.41 0.09 0.09 0.00 -0.87 0.00 0.00 66.00 64.89 2qal h PRO 6 Cb 1.19 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 2qal h PRO 6 CO 0.94 -0.84 0.29 -0.97 -0.23 0.00 0.00 178.00 177.19 2qal h ASN 7 N -1.30 0.00 0.30 1.44 -1.24 -1.90 0.52 115.58 113.40 2qal h ASN 7 Ca -0.13 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.55 2qal h ASN 7 Cb 1.01 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.09 2qal h ASN 7 CO 0.18 0.00 -1.50 1.23 -1.29 0.00 0.00 177.43 176.05 2qal h GLY 8 N 0.00 0.56 1.37 1.57 0.00 -1.87 -2.35 103.07 102.35 2qal h GLY 8 Ca 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 47.33 46.05 2qal h GLY 8 CO -0.00 1.24 0.00 4.51 0.00 0.00 0.00 176.54 182.29 2qal n ILE 9 N -3.67 0.11 -0.03 2.60 0.13 0.10 -2.73 119.36 115.87 2qal n ILE 9 Ca -0.17 0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 2qal n ILE 9 Cb 1.09 -0.60 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 2qal n ILE 9 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2qal n ARG 10 N -1.18 2.13 0.27 9.51 1.74 0.00 -4.72 116.66 124.42 2qal n ARG 10 Ca 0.15 -1.27 0.13 0.00 -0.77 0.00 0.00 57.85 56.09 2qal n ARG 10 Cb 0.17 -0.98 0.70 0.00 -1.02 0.00 0.00 32.46 31.33 2qal n ARG 10 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qal h LEU 11 N 0.00 0.00 0.03 0.55 3.38 -1.22 -2.23 115.31 115.83 2qal h LEU 11 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2qal h LEU 11 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2qal h LEU 11 CO 0.00 0.00 -1.25 1.23 0.09 0.00 0.00 178.44 178.51 2qal h GLY 12 N 0.00 0.08 -2.55 0.83 0.00 -1.85 -3.43 103.07 96.15 2qal h GLY 12 Ca 0.00 -0.21 -0.45 0.00 0.00 0.00 0.00 47.33 46.68 2qal h GLY 12 CO 0.00 0.18 -0.73 -0.26 0.00 0.00 0.00 176.54 175.73 2qal s ILE 13 N -2.39 1.72 0.00 2.60 -0.00 -0.84 -4.77 121.20 117.52 2qal s ILE 13 Ca -0.26 -2.21 0.00 0.00 -0.00 0.00 0.00 60.65 58.19 2qal s ILE 13 Cb 0.05 -2.05 0.00 0.00 -0.00 0.00 0.00 42.46 40.46 2qal s ILE 13 CO 0.65 -0.60 0.00 1.33 -0.00 0.00 0.00 174.94 176.32 2qal n VAL 14 N -0.38 0.00 -3.66 8.37 0.24 -1.26 -4.73 118.33 116.91 2qal n VAL 14 Ca -0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.03 2qal n VAL 14 Cb 0.60 -0.18 -0.17 0.00 -1.47 0.00 0.00 33.84 32.62 2qal n VAL 14 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qal s LYS 15 N -0.36 -0.03 0.55 7.34 3.01 -1.21 -4.85 119.74 124.18 2qal s LYS 15 Ca 0.00 0.41 -0.11 0.00 -1.01 0.00 0.00 55.97 55.26 2qal s LYS 15 Cb 0.00 -0.51 -0.05 0.00 -1.01 0.00 0.00 37.83 36.26 2qal s LYS 15 CO 0.00 -0.34 0.95 -1.25 0.51 0.00 0.00 175.35 175.21 2qal s PRO 16 N 2.21 3.68 0.66 -1.68 0.04 -1.26 -4.33 135.00 134.31 2qal s PRO 16 Ca 0.04 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 2qal s PRO 16 Cb -0.12 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2qal s PRO 16 CO -0.04 -0.39 1.05 -1.58 0.04 0.00 0.00 177.00 176.08 2qal s TRP 17 N -2.90 3.25 -2.36 0.56 0.51 -1.26 -4.98 118.94 111.75 2qal s TRP 17 Ca 0.54 1.40 0.23 0.00 -2.12 0.00 0.00 56.10 56.15 2qal s TRP 17 Cb -0.11 -2.85 0.49 0.00 -0.81 0.00 0.00 33.47 30.20 2qal s TRP 17 CO 0.45 -1.04 1.44 0.09 -0.51 0.00 0.00 176.95 177.39 2qal n ASN 18 N -2.84 3.63 -2.75 2.95 4.13 -1.26 -4.64 115.26 114.47 2qal n ASN 18 Ca 0.07 -2.00 -0.05 0.00 1.68 0.00 0.00 54.58 54.28 2qal n ASN 18 Cb 0.54 -0.32 0.02 0.00 -1.54 0.00 0.00 39.78 38.48 2qal n ASN 18 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2qal n SER 19 N 1.56 -3.25 -4.43 6.41 7.64 -1.26 -2.06 113.62 118.22 2qal n SER 19 Ca 0.21 -2.98 -0.44 0.00 1.01 0.00 0.00 58.87 56.68 2qal n SER 19 Cb 0.62 1.75 -0.04 0.00 -1.01 0.00 0.00 64.21 65.53 2qal n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qal s THR 20 N 0.82 4.55 -0.28 0.44 -1.32 -1.19 -4.95 115.64 113.72 2qal s THR 20 Ca 0.30 -0.53 -0.21 0.00 -1.21 0.00 0.00 61.69 60.05 2qal s THR 20 Cb 0.07 -4.56 0.08 0.00 -1.51 0.00 0.00 72.50 66.57 2qal s THR 20 CO -0.11 -1.25 0.73 -1.66 -2.21 0.00 0.00 174.62 170.13 2qal s TRP 21 N 3.44 -0.89 0.70 9.09 1.48 -1.26 -4.29 118.94 127.21 2qal s TRP 21 Ca 0.19 1.96 -0.11 0.00 -1.06 0.00 0.00 56.10 57.07 2qal s TRP 21 Cb -0.19 0.43 0.01 0.00 -1.16 0.00 0.00 33.47 32.56 2qal s TRP 21 CO 0.10 -0.43 1.09 0.12 -4.06 0.00 0.00 176.95 173.76 2qal s PHE 22 N 0.92 3.35 0.00 1.66 5.36 -1.26 -4.99 117.98 123.02 2qal s PHE 22 Ca -0.04 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2qal s PHE 22 Cb -0.05 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 2qal s PHE 22 CO -0.08 -1.13 0.00 0.00 -1.46 0.00 0.00 175.22 172.55 2qal n ALA 23 N -2.98 0.00 -2.17 11.12 0.00 -1.26 -5.01 120.51 120.20 2qal n ALA 23 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 2qal n ALA 23 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 2qal n ALA 23 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qal s ASN 24 N 0.00 6.31 0.32 0.00 -0.87 -1.26 -4.75 114.94 114.69 2qal s ASN 24 Ca 0.00 1.07 0.08 0.00 -1.57 0.00 0.00 52.86 52.44 2qal s ASN 24 Cb 0.00 -2.31 0.91 0.00 -0.02 0.00 0.00 41.25 39.83 2qal s ASN 24 CO 0.00 -0.60 1.52 0.41 -2.57 0.00 0.00 177.10 175.86 2qal n THR 25 N -2.17 -0.41 0.10 1.60 -1.04 -1.26 -0.20 114.28 110.90 2qal n THR 25 Ca 0.02 2.08 -0.10 0.00 -2.04 0.00 0.00 64.05 64.01 2qal n THR 25 Cb 0.55 -3.13 -0.06 0.00 -1.82 0.00 0.00 70.33 65.87 2qal n THR 25 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2qal h LYS 26 N 0.00 -0.46 -0.01 -2.82 2.10 -2.04 -3.20 116.57 110.14 2qal h LYS 26 Ca 0.66 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 2qal h LYS 26 Cb 1.51 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 2qal h LYS 26 CO -0.86 -0.30 -0.30 -0.85 -2.00 0.00 0.00 179.45 175.14 2qal n GLU 27 N -4.15 1.03 -0.35 0.07 -0.00 -1.00 -4.18 120.64 112.05 2qal n GLU 27 Ca -0.05 -0.70 0.05 0.00 -0.00 0.00 0.00 57.16 56.46 2qal n GLU 27 Cb 0.24 -1.49 0.20 0.00 -0.00 0.00 0.00 31.44 30.40 2qal n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2qal h PHE 28 N 1.70 1.11 0.51 -1.84 3.57 -0.58 0.24 116.94 121.65 2qal h PHE 28 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2qal h PHE 28 Cb 0.59 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2qal h PHE 28 CO 0.00 0.49 -0.43 0.00 -2.23 0.00 0.00 178.31 176.14 2qal h ALA 29 N 1.49 -0.99 -0.06 2.41 0.00 -1.73 -2.69 119.26 117.69 2qal h ALA 29 Ca 0.46 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2qal h ALA 29 Cb 0.36 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2qal h ALA 29 CO -0.23 -1.09 -0.28 -0.44 0.00 0.00 0.00 179.25 177.21 2qal h ASP 30 N -0.93 0.11 -0.66 0.00 5.19 -1.72 -2.90 116.42 115.50 2qal h ASP 30 Ca -0.06 -0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.46 2qal h ASP 30 Cb 0.80 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.24 2qal h ASP 30 CO -0.02 0.39 0.45 0.78 -3.12 0.00 0.00 179.24 177.73 2qal h ASN 31 N 0.10 0.29 0.21 6.45 4.21 -0.19 -1.29 115.58 125.36 2qal h ASN 31 Ca 0.02 0.01 -0.29 0.00 1.21 0.00 0.00 56.30 57.25 2qal h ASN 31 Cb 0.55 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.73 2qal h ASN 31 CO 0.04 0.16 -1.20 -0.07 -1.29 0.00 0.00 177.43 175.07 2qal h LEU 32 N 0.31 0.78 -0.36 1.61 3.38 -1.36 -3.00 115.31 116.68 2qal h LEU 32 Ca 0.32 -0.71 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2qal h LEU 32 Cb 0.81 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 2qal h LEU 32 CO -0.08 1.53 -0.15 -0.78 0.09 0.00 0.00 178.44 179.05 2qal h ASP 33 N 0.25 -0.51 -0.25 -0.43 -0.00 -1.28 0.15 116.42 114.35 2qal h ASP 33 Ca -0.17 0.13 -0.01 0.00 -0.00 0.00 0.00 57.03 56.98 2qal h ASP 33 Cb 1.87 0.29 -0.01 0.00 -0.00 0.00 0.00 39.33 41.48 2qal h ASP 33 CO 0.22 -0.18 0.11 0.77 -0.00 0.00 0.00 179.24 180.16 2qal h SER 34 N -0.08 0.34 -1.07 2.28 4.64 -1.59 0.60 113.55 118.66 2qal h SER 34 Ca 0.18 -0.14 0.29 0.00 -0.47 0.00 0.00 61.79 61.64 2qal h SER 34 Cb 0.35 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.27 2qal h SER 34 CO -0.41 0.38 0.70 0.44 -0.87 0.00 0.00 176.83 177.07 2qal h ASP 35 N 0.26 0.38 0.00 4.97 5.19 -1.09 -0.15 116.42 125.99 2qal h ASP 35 Ca 0.09 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2qal h ASP 35 Cb 0.14 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2qal h ASP 35 CO -0.01 0.06 -0.00 0.15 -3.12 0.00 0.00 179.24 176.32 2qal h PHE 36 N 0.33 -0.00 -0.69 4.55 3.57 0.42 -3.06 116.94 122.05 2qal h PHE 36 Ca 0.61 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.17 2qal h PHE 36 Cb 1.66 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.34 2qal h PHE 36 CO -0.00 0.77 0.38 0.87 -2.23 0.00 0.00 178.31 178.09 2qal h LYS 37 N -0.78 0.67 -0.49 1.11 1.57 0.69 -2.58 116.57 116.76 2qal h LYS 37 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2qal h LYS 37 Cb 0.77 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2qal h LYS 37 CO 0.00 0.44 -0.02 -0.39 -0.57 0.00 0.00 179.45 178.91 2qal h VAL 38 N 0.69 1.26 0.11 0.50 -1.51 -1.23 -3.02 116.25 113.05 2qal h VAL 38 Ca 0.32 -1.11 0.01 0.00 -1.23 0.00 0.00 66.70 64.69 2qal h VAL 38 Cb 0.23 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2qal h VAL 38 CO -0.20 0.39 -0.19 0.03 -1.23 0.00 0.00 177.57 176.37 2qal h ARG 39 N 0.74 -0.35 -0.61 5.19 3.08 -1.36 0.20 114.38 121.28 2qal h ARG 39 Ca 0.14 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2qal h ARG 39 Cb 0.54 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2qal h ARG 39 CO 0.03 -0.23 0.39 -0.56 -1.07 0.00 0.00 179.97 178.53 2qal h GLN 40 N -0.36 0.77 -0.29 0.04 3.07 -1.56 0.15 115.11 116.93 2qal h GLN 40 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2qal h GLN 40 Cb 0.38 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2qal h GLN 40 CO -0.10 0.51 0.14 1.88 0.09 0.00 0.00 178.83 181.35 2qal h TYR 41 N 0.80 0.43 0.00 0.06 0.05 -1.37 0.47 116.97 117.40 2qal h TYR 41 Ca 0.23 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2qal h TYR 41 Cb -0.06 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 2qal h TYR 41 CO -0.04 0.39 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.33 2qal h LEU 42 N 0.34 0.00 0.15 3.88 -0.00 -0.15 -0.25 115.31 119.29 2qal h LEU 42 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.65 2qal h LEU 42 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2qal h LEU 42 CO -0.01 0.06 -1.70 0.74 -0.00 0.00 0.00 178.44 177.52 2qal h THR 43 N 0.00 0.90 0.19 0.22 2.02 0.33 -3.18 112.91 113.40 2qal h THR 43 Ca -0.00 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 2qal h THR 43 Cb 0.22 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2qal h THR 43 CO 0.01 0.82 -0.09 0.50 0.37 0.00 0.00 175.52 177.12 2qal h LYS 44 N -0.03 -0.25 0.00 6.66 3.64 0.21 -2.96 116.57 123.83 2qal h LYS 44 Ca -0.35 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2qal h LYS 44 Cb 1.98 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2qal h LYS 44 CO 0.12 0.13 0.00 0.93 -2.27 0.00 0.00 179.45 178.36 2qal h GLU 45 N -0.71 0.00 -2.07 1.90 5.08 -1.24 -2.86 114.58 114.68 2qal h GLU 45 Ca -0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.75 2qal h GLU 45 Cb 0.49 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.33 2qal h GLU 45 CO 0.04 0.00 -0.71 1.28 -1.00 0.00 0.00 179.01 178.63 2qal n LEU 46 N -2.49 4.27 0.00 1.33 7.99 -1.13 -4.96 117.00 122.02 2qal n LEU 46 Ca -0.01 -5.50 0.00 0.00 -0.01 0.00 0.00 56.01 50.49 2qal n LEU 46 Cb 0.07 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2qal n LEU 46 CO 0.14 2.31 0.18 0.00 -1.51 0.00 0.00 177.39 178.51 2qal n ALA 47 N -0.27 0.00 0.63 -1.18 0.00 -1.08 -3.09 120.51 115.52 2qal n ALA 47 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2qal n ALA 47 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2qal n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qal n LYS 48 N -0.38 0.63 0.12 0.00 0.00 -1.26 -3.52 118.16 113.75 2qal n LYS 48 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2qal n LYS 48 Cb 0.00 -1.31 0.46 0.00 -0.00 0.00 0.00 35.03 34.19 2qal n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qal n ALA 49 N 0.21 1.88 -3.60 0.58 0.00 -1.18 -4.91 120.51 113.49 2qal n ALA 49 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 2qal n ALA 49 Cb 0.17 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.27 2qal n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qal n SER 50 N -2.25 -5.04 -4.74 0.00 7.64 -1.23 -3.28 113.62 104.72 2qal n SER 50 Ca 0.03 -0.60 -0.40 0.00 1.01 0.00 0.00 58.87 58.92 2qal n SER 50 Cb 0.30 -4.88 -0.05 0.00 -1.01 0.00 0.00 64.21 58.57 2qal n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qal s VAL 51 N -3.34 4.79 -0.19 0.44 0.11 -1.26 -0.11 120.40 120.84 2qal s VAL 51 Ca 0.44 1.59 -0.16 0.00 -2.93 0.00 0.00 61.98 60.92 2qal s VAL 51 Cb -0.20 -4.10 -0.07 0.00 -1.53 0.00 0.00 36.38 30.48 2qal s VAL 51 CO 0.75 0.35 -0.33 -1.54 -3.33 0.00 0.00 175.10 171.00 2qal n SER 52 N 2.94 1.87 -3.76 3.54 3.41 0.24 -4.86 113.62 117.00 2qal n SER 52 Ca -0.02 0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2qal n SER 52 Cb 0.50 -0.72 0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2qal n SER 52 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qal n ARG 53 N -4.33 0.89 -2.67 4.33 0.63 -1.22 -4.89 116.66 109.39 2qal n ARG 53 Ca -0.23 -2.01 -0.04 0.00 -0.92 0.00 0.00 57.85 54.65 2qal n ARG 53 Cb 0.58 0.06 0.07 0.00 0.45 0.00 0.00 32.46 33.62 2qal n ARG 53 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2qal n ILE 54 N -1.51 0.00 -1.09 5.15 3.06 -1.26 -3.40 119.36 120.32 2qal n ILE 54 Ca 0.04 -0.78 -0.36 0.00 -2.50 0.00 0.00 62.75 59.15 2qal n ILE 54 Cb 0.37 0.95 0.06 0.00 0.54 0.00 0.00 39.64 41.57 2qal n ILE 54 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2qal n VAL 55 N 0.09 0.51 -3.47 9.51 0.31 -0.88 -4.66 118.33 119.75 2qal n VAL 55 Ca -0.11 -0.41 -0.17 0.00 -0.01 0.00 0.00 64.34 63.63 2qal n VAL 55 Cb 0.72 -0.33 -0.12 0.00 -0.91 0.00 0.00 33.84 33.21 2qal n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qal s ILE 56 N -2.05 -0.37 -0.06 2.52 1.01 -0.87 -1.42 121.20 119.96 2qal s ILE 56 Ca 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 2qal s ILE 56 Cb -0.30 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2qal s ILE 56 CO 0.70 -0.21 0.01 -1.61 0.00 0.00 0.00 174.94 173.82 2qal s GLU 57 N 2.36 2.95 -0.52 2.79 2.02 -1.26 -3.16 118.70 123.87 2qal s GLU 57 Ca 0.08 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.65 2qal s GLU 57 Cb -0.16 -2.77 0.15 0.00 0.10 0.00 0.00 34.13 31.45 2qal s GLU 57 CO -0.14 0.68 0.34 1.03 0.02 0.00 0.00 175.26 177.20 2qal s ARG 58 N -1.09 1.63 0.00 1.61 0.52 -1.26 0.40 118.95 120.76 2qal s ARG 58 Ca 0.15 -2.51 0.00 0.00 -0.52 0.00 0.00 55.73 52.86 2qal s ARG 58 Cb -0.11 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.80 2qal s ARG 58 CO 0.05 -1.25 0.00 -0.35 0.02 0.00 0.00 175.30 173.77 2qal n PRO 59 N 2.85 3.46 -1.79 3.54 -0.04 -0.98 -4.71 135.00 137.33 2qal n PRO 59 Ca 0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 2qal n PRO 59 Cb 0.37 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.78 2qal n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qal s ALA 60 N -3.29 1.23 0.00 0.55 0.00 -1.26 -3.42 121.76 115.57 2qal s ALA 60 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2qal s ALA 60 Cb 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2qal s ALA 60 CO 0.00 -5.26 0.00 1.63 0.00 0.00 0.00 175.76 172.13 2qal n LYS 61 N 8.87 -1.62 -3.92 0.00 4.76 -1.26 -4.91 118.16 120.08 2qal n LYS 61 Ca 0.42 0.32 -0.21 0.00 -2.87 0.00 0.00 58.31 55.96 2qal n LYS 61 Cb 0.46 -4.34 -0.04 0.00 -1.84 0.00 0.00 35.03 29.28 2qal n LYS 61 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qal s SER 62 N -1.58 5.36 0.05 4.39 1.04 -1.22 -3.43 113.70 118.31 2qal s SER 62 Ca 0.00 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.08 2qal s SER 62 Cb 0.00 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.98 2qal s SER 62 CO 0.00 -0.25 -0.18 -0.63 0.98 0.00 0.00 173.24 173.16 2qal s ILE 63 N -2.25 1.48 0.00 -1.02 1.01 -0.57 -2.31 121.20 117.54 2qal s ILE 63 Ca 0.38 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2qal s ILE 63 Cb -0.06 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.09 2qal s ILE 63 CO 0.26 0.09 0.00 -1.14 0.00 0.00 0.00 174.94 174.14 2qal n ARG 64 N 1.72 0.00 -2.48 2.79 3.00 0.16 -0.88 116.66 120.97 2qal n ARG 64 Ca -0.18 0.06 -0.04 0.00 -0.00 0.00 0.00 57.85 57.69 2qal n ARG 64 Cb 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.58 2qal n ARG 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qal n VAL 65 N -2.02 -8.04 -3.20 5.15 0.31 -1.25 -2.42 118.33 106.87 2qal n VAL 65 Ca 0.00 0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 64.27 2qal n VAL 65 Cb 0.00 -6.17 -0.07 0.00 -0.91 0.00 0.00 33.84 26.69 2qal n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qal s THR 66 N -2.39 4.93 -0.05 2.52 2.01 -0.51 -2.55 115.64 119.59 2qal s THR 66 Ca 0.12 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 2qal s THR 66 Cb -0.03 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2qal s THR 66 CO 0.53 -0.64 0.64 -0.63 -0.69 0.00 0.00 174.62 173.83 2qal s ILE 67 N 2.52 5.02 -0.84 1.82 1.01 -0.28 -2.07 121.20 128.38 2qal s ILE 67 Ca 0.16 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2qal s ILE 67 Cb -0.17 -3.98 0.21 0.00 0.01 0.00 0.00 42.46 38.53 2qal s ILE 67 CO 0.14 0.31 0.72 -1.00 0.00 0.00 0.00 174.94 175.11 2qal s HIS 68 N 0.48 3.80 0.10 3.97 3.76 -1.22 0.86 115.29 127.05 2qal s HIS 68 Ca 0.34 -2.95 0.02 0.00 -0.15 0.00 0.00 55.06 52.33 2qal s HIS 68 Cb -0.18 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 2qal s HIS 68 CO 0.17 -0.76 0.19 -0.08 -0.85 0.00 0.00 174.74 173.40 2qal s THR 69 N -1.07 5.04 -0.17 1.30 -1.32 -0.91 -0.59 115.64 117.92 2qal s THR 69 Ca 0.25 -0.66 0.16 0.00 -1.21 0.00 0.00 61.69 60.23 2qal s THR 69 Cb -0.10 -3.50 0.05 0.00 -1.51 0.00 0.00 72.50 67.44 2qal s THR 69 CO -0.11 0.04 1.37 0.00 -2.21 0.00 0.00 174.62 173.71 2qal h ALA 70 N 2.78 0.68 -3.03 11.08 0.00 -0.63 -3.36 119.26 126.78 2qal h ALA 70 Ca -0.47 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.35 2qal h ALA 70 Cb 1.18 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 2qal h ALA 70 CO 0.70 0.62 -0.61 1.03 0.00 0.00 0.00 179.25 180.99 2qal s ARG 71 N -2.98 2.31 0.29 0.00 1.81 -1.21 -4.85 118.95 114.34 2qal s ARG 71 Ca 0.03 -3.21 0.03 0.00 -1.72 0.00 0.00 55.73 50.86 2qal s ARG 71 Cb 0.08 -3.24 0.46 0.00 -0.45 0.00 0.00 34.95 31.79 2qal s ARG 71 CO 0.75 -1.29 1.76 -1.00 -0.68 0.00 0.00 175.30 174.84 2qal h PRO 72 N 5.46 0.50 -0.98 3.54 0.13 -1.84 -3.28 132.00 135.52 2qal h PRO 72 Ca 0.15 -0.16 0.11 0.00 -0.87 0.00 0.00 66.00 65.23 2qal h PRO 72 Cb 0.77 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.73 2qal h PRO 72 CO 0.69 0.66 -0.50 0.41 -0.23 0.00 0.00 178.00 179.02 2qal n GLY 73 N -0.51 -2.34 0.20 1.56 0.00 -1.26 0.03 105.19 102.86 2qal n GLY 73 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 2qal n GLY 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qal h ILE 74 N 0.00 1.23 -0.62 -0.61 6.09 -1.94 0.21 117.51 121.86 2qal h ILE 74 Ca 0.22 -0.78 0.14 0.00 -1.37 0.00 0.00 64.86 63.07 2qal h ILE 74 Cb 0.47 1.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.73 2qal h ILE 74 CO -0.94 0.27 0.43 0.58 -3.07 0.00 0.00 178.15 175.42 2qal h VAL 75 N 0.47 0.80 0.00 2.19 2.07 -1.00 -2.78 116.25 118.00 2qal h VAL 75 Ca 0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2qal h VAL 75 Cb 0.31 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qal h VAL 75 CO 0.00 0.05 -0.07 0.40 0.02 0.00 0.00 177.57 177.96 2qal h ILE 76 N 0.25 0.59 0.00 4.57 1.08 0.06 -1.32 117.51 122.74 2qal h ILE 76 Ca 0.30 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 2qal h ILE 76 Cb 0.83 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2qal h ILE 76 CO -0.06 0.20 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 2qal n GLY 77 N 1.71 -2.03 3.56 5.37 0.00 0.02 0.61 105.19 114.43 2qal n GLY 77 Ca -0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2qal n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qal s LYS 78 N -0.03 2.58 -1.16 1.61 0.00 -1.26 -3.36 119.74 118.12 2qal s LYS 78 Ca 0.00 1.12 -0.08 0.00 0.00 0.00 0.00 55.97 57.02 2qal s LYS 78 Cb 0.00 -4.43 -0.03 0.00 0.00 0.00 0.00 37.83 33.38 2qal s LYS 78 CO 0.00 -2.75 0.83 1.63 0.00 0.00 0.00 175.35 175.06 2qal n LYS 79 N 8.98 -3.20 -1.17 1.78 5.02 -1.26 -2.08 118.16 126.23 2qal n LYS 79 Ca 0.27 0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 57.19 2qal n LYS 79 Cb 0.52 -5.19 -0.03 0.00 -0.02 0.00 0.00 35.03 30.31 2qal n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qal n GLY 80 N -1.44 0.77 0.31 0.72 0.00 -1.21 -4.93 105.19 99.40 2qal n GLY 80 Ca -0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2qal n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qal h GLU 81 N 0.22 -0.75 -0.35 1.61 4.57 -0.78 -0.64 114.58 118.45 2qal h GLU 81 Ca -0.12 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2qal h GLU 81 Cb 0.63 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 2qal h GLU 81 CO 0.18 -0.50 -0.29 -0.44 -1.18 0.00 0.00 179.01 176.77 2qal h ASP 82 N -0.78 -0.96 0.11 1.04 3.32 -0.04 0.38 116.42 119.49 2qal h ASP 82 Ca -0.08 0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2qal h ASP 82 Cb 0.60 0.46 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 2qal h ASP 82 CO 0.13 -0.31 -0.51 0.58 -1.72 0.00 0.00 179.24 177.41 2qal h VAL 83 N -0.25 0.03 -1.01 -1.35 2.07 -0.65 -1.12 116.25 113.97 2qal h VAL 83 Ca 0.17 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.92 2qal h VAL 83 Cb 0.51 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 2qal h VAL 83 CO -0.49 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 177.63 2qal h GLU 84 N -0.73 0.58 0.21 1.57 4.22 -0.52 -0.81 114.58 119.10 2qal h GLU 84 Ca 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 2qal h GLU 84 Cb 0.75 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2qal h GLU 84 CO -0.29 0.39 -0.12 -0.22 -2.18 0.00 0.00 179.01 176.59 2qal h LYS 85 N 0.60 -0.31 0.24 1.92 3.64 0.27 -3.06 116.57 119.87 2qal h LYS 85 Ca 0.61 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 60.02 2qal h LYS 85 Cb 1.17 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2qal h LYS 85 CO -0.40 -0.20 -0.28 -0.07 -2.27 0.00 0.00 179.45 176.22 2qal h LEU 86 N -0.32 -0.78 -0.98 5.20 3.38 -0.32 -3.02 115.31 118.48 2qal h LEU 86 Ca -0.02 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.21 2qal h LEU 86 Cb 0.26 0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 2qal h LEU 86 CO 0.03 -0.40 -0.26 -1.14 0.09 0.00 0.00 178.44 176.77 2qal n ARG 87 N -5.40 -0.10 0.16 1.13 0.63 -0.68 -0.81 116.66 111.58 2qal n ARG 87 Ca -0.08 1.52 -0.14 0.00 -0.92 0.00 0.00 57.85 58.23 2qal n ARG 87 Cb 0.31 -2.27 -0.07 0.00 0.45 0.00 0.00 32.46 30.88 2qal n ARG 87 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2qal h LYS 88 N 0.00 -0.39 -0.34 -0.14 3.11 -1.43 -1.54 116.57 115.84 2qal h LYS 88 Ca 0.46 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.39 2qal h LYS 88 Cb 0.70 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.95 2qal h LYS 88 CO -1.00 -0.26 -0.11 0.28 -2.81 0.00 0.00 179.45 175.54 2qal h VAL 89 N -0.41 0.60 -0.03 2.00 2.07 -0.93 -1.49 116.25 118.06 2qal h VAL 89 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2qal h VAL 89 Cb 0.36 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2qal h VAL 89 CO -0.01 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.89 2qal h VAL 90 N -0.04 0.39 -0.92 2.57 2.07 -0.96 0.58 116.25 119.94 2qal h VAL 90 Ca 0.17 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.87 2qal h VAL 90 Cb 0.29 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2qal h VAL 90 CO -0.37 0.00 0.59 0.00 0.02 0.00 0.00 177.57 177.81 2qal h ALA 91 N 0.44 1.99 0.07 1.67 0.00 -0.75 0.29 119.26 122.97 2qal h ALA 91 Ca 0.07 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2qal h ALA 91 Cb 0.49 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qal h ALA 91 CO -0.26 -0.28 -0.89 0.22 0.00 0.00 0.00 179.25 178.04 2qal h ASP 92 N 0.56 0.66 0.24 0.00 1.82 -0.19 0.34 116.42 119.85 2qal h ASP 92 Ca 0.48 -0.83 -0.04 0.00 -0.39 0.00 0.00 57.03 56.26 2qal h ASP 92 Cb 0.98 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 2qal h ASP 92 CO -0.22 1.41 -0.19 0.40 -1.61 0.00 0.00 179.24 179.03 2qal h ILE 93 N -0.01 1.02 0.00 2.25 2.04 0.14 -2.48 117.51 120.47 2qal h ILE 93 Ca -0.13 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2qal h ILE 93 Cb 1.62 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2qal h ILE 93 CO 0.17 0.19 -0.98 0.00 0.00 0.00 0.00 178.15 177.52 2qal n ALA 94 N -2.45 4.35 -1.97 1.87 0.00 0.89 -4.91 120.51 118.28 2qal n ALA 94 Ca -0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2qal n ALA 94 Cb 0.26 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 2qal n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 95 N 1.45 0.31 3.45 0.00 0.00 0.97 -5.00 105.19 106.36 2qal n GLY 95 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2qal n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qal s VAL 96 N -2.58 0.04 -0.55 1.61 -7.23 0.18 -5.00 120.40 106.88 2qal s VAL 96 Ca 0.00 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.94 2qal s VAL 96 Cb 0.00 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 2qal s VAL 96 CO 0.00 -0.19 2.37 -2.16 -0.31 0.00 0.00 175.10 174.81 2qal s PRO 97 N -3.90 2.06 -0.02 4.82 0.04 -1.22 -4.17 135.00 132.61 2qal s PRO 97 Ca 0.11 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 2qal s PRO 97 Cb 0.01 -4.61 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 2qal s PRO 97 CO -0.02 -3.41 0.16 0.00 0.04 0.00 0.00 177.00 173.77 2qal s ALA 98 N 12.36 3.90 0.22 8.56 0.00 -1.26 -1.51 121.76 144.02 2qal s ALA 98 Ca 0.94 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2qal s ALA 98 Cb -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2qal s ALA 98 CO 0.23 0.73 0.01 1.04 0.00 0.00 0.00 175.76 177.76 2qal n GLN 99 N 1.09 1.45 -3.24 0.00 3.00 -0.06 -4.63 117.38 115.00 2qal n GLN 99 Ca -0.12 -1.59 0.04 0.00 -0.01 0.00 0.00 57.00 55.31 2qal n GLN 99 Cb 0.53 0.41 -0.02 0.00 0.00 0.00 0.00 30.24 31.16 2qal n GLN 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2qal s ILE 100 N -1.76 -0.52 0.05 5.09 2.07 -1.02 -4.33 121.20 120.78 2qal s ILE 100 Ca 0.01 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 2qal s ILE 100 Cb -0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2qal s ILE 100 CO 0.00 0.00 -0.04 0.20 -1.91 0.00 0.00 174.94 173.20 2qal s ASN 101 N 2.77 4.82 -0.01 4.50 0.01 -1.06 -5.00 114.94 120.97 2qal s ASN 101 Ca 0.02 -0.17 -0.06 0.00 -0.71 0.00 0.00 52.86 51.95 2qal s ASN 101 Cb -0.10 -1.13 -0.05 0.00 0.41 0.00 0.00 41.25 40.39 2qal s ASN 101 CO -0.15 0.23 0.24 -0.63 -1.51 0.00 0.00 177.10 175.27 2qal s ILE 102 N -1.16 5.35 -0.06 0.60 1.09 -1.26 -1.13 121.20 124.63 2qal s ILE 102 Ca 0.21 0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.91 2qal s ILE 102 Cb -0.11 -3.54 0.01 0.00 -1.06 0.00 0.00 42.46 37.75 2qal s ILE 102 CO 0.13 0.40 -0.14 0.00 -0.10 0.00 0.00 174.94 175.22 2qal s ALA 103 N -1.26 1.39 1.00 9.38 0.00 0.25 -4.91 121.76 127.61 2qal s ALA 103 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2qal s ALA 103 Cb -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2qal s ALA 103 CO 0.15 0.17 0.00 -1.91 0.00 0.00 0.00 175.76 174.17 2qal n GLU 104 N 3.59 0.38 -3.73 0.00 2.13 -1.26 -2.13 120.64 119.62 2qal n GLU 104 Ca -0.21 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.48 2qal n GLU 104 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 2qal n GLU 104 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2qal s VAL 105 N -0.31 -0.04 -1.27 6.31 -7.23 -1.26 -4.44 120.40 112.16 2qal s VAL 105 Ca 0.00 0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 2qal s VAL 105 Cb 0.00 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.60 2qal s VAL 105 CO 0.00 0.06 1.91 -2.11 -0.31 0.00 0.00 175.10 174.65 2qal n ARG 106 N 4.23 2.68 -1.90 4.82 0.00 -1.26 -4.64 116.66 120.60 2qal n ARG 106 Ca -0.26 -2.84 0.00 0.00 -0.00 0.00 0.00 57.85 54.75 2qal n ARG 106 Cb 0.53 -3.43 0.00 0.00 -0.00 0.00 0.00 32.46 29.55 2qal n ARG 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qal n LYS 107 N 7.69 -4.18 -0.09 2.89 5.02 -1.26 -4.65 118.16 123.58 2qal n LYS 107 Ca 0.49 3.11 -0.04 0.00 -2.02 0.00 0.00 58.31 59.85 2qal n LYS 107 Cb 0.44 -3.57 0.17 0.00 -0.02 0.00 0.00 35.03 32.05 2qal n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2qal h PRO 108 N 3.32 0.76 0.00 1.97 0.13 -1.96 -2.60 132.00 133.63 2qal h PRO 108 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2qal h PRO 108 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2qal h PRO 108 CO 0.00 0.79 0.06 0.39 -0.23 0.00 0.00 178.00 179.01 2qal n GLU 109 N -4.21 0.00 0.00 0.86 4.71 -1.26 -0.58 120.64 120.16 2qal n GLU 109 Ca 0.02 0.29 0.04 0.00 -0.01 0.00 0.00 57.16 57.50 2qal n GLU 109 Cb 0.31 -1.56 -0.02 0.00 -1.01 0.00 0.00 31.44 29.16 2qal n GLU 109 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2qal n LEU 110 N -1.26 0.75 -4.76 -4.62 4.77 -0.98 -3.58 117.00 107.33 2qal n LEU 110 Ca 0.00 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 54.96 2qal n LEU 110 Cb 0.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2qal n LEU 110 CO 0.00 0.16 0.24 -0.62 -1.33 0.00 0.00 177.39 175.84 2qal s ASP 111 N -1.48 6.87 0.00 -1.43 2.15 0.25 -4.98 116.67 118.05 2qal s ASP 111 Ca 0.05 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.07 2qal s ASP 111 Cb 0.06 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2qal s ASP 111 CO 0.27 0.09 0.39 0.00 -0.17 0.00 0.00 175.17 175.75 2qal n ALA 112 N 2.91 0.00 -0.21 3.66 0.00 -1.26 -1.43 120.51 124.19 2qal n ALA 112 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qal n ALA 112 Cb 0.51 0.04 0.08 0.00 0.00 0.00 0.00 19.45 20.09 2qal n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qal n LYS 113 N -0.48 -0.05 0.19 0.00 3.00 -1.26 -0.59 118.16 118.97 2qal n LYS 113 Ca 0.00 0.89 -0.09 0.00 -0.00 0.00 0.00 58.31 59.12 2qal n LYS 113 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 35.03 33.65 2qal n LYS 113 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2qal h LEU 114 N 0.00 -0.54 -1.44 3.14 3.38 -1.87 0.69 115.31 118.68 2qal h LEU 114 Ca 0.28 0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.62 2qal h LEU 114 Cb 0.43 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2qal h LEU 114 CO -0.59 -0.33 0.76 0.58 0.09 0.00 0.00 178.44 178.95 2qal h VAL 115 N -0.53 0.35 0.03 1.22 2.07 0.34 0.16 116.25 119.89 2qal h VAL 115 Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qal h VAL 115 Cb 0.42 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2qal h VAL 115 CO 0.05 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 2qal h ALA 116 N 1.59 -0.28 -1.04 1.67 0.00 -0.73 -1.00 119.26 119.47 2qal h ALA 116 Ca 0.68 -0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.99 2qal h ALA 116 Cb 2.01 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.65 2qal h ALA 116 CO -0.32 -0.28 0.58 -0.44 0.00 0.00 0.00 179.25 178.79 2qal h ASP 117 N -0.11 0.34 0.38 0.00 3.45 0.86 -0.28 116.42 121.06 2qal h ASP 117 Ca -0.00 0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 2qal h ASP 117 Cb 0.03 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2qal h ASP 117 CO 0.01 -0.37 -0.18 0.77 -1.57 0.00 0.00 179.24 177.90 2qal h SER 118 N 0.06 -0.43 -1.25 6.45 4.64 -0.79 -2.63 113.55 119.59 2qal h SER 118 Ca 0.83 0.01 0.36 0.00 -0.47 0.00 0.00 61.79 62.53 2qal h SER 118 Cb 2.20 0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 64.33 2qal h SER 118 CO -0.71 -0.06 0.88 -0.29 -0.87 0.00 0.00 176.83 175.78 2qal h ILE 119 N -1.01 0.36 -0.04 0.95 2.10 0.28 0.31 117.51 120.46 2qal h ILE 119 Ca -0.05 -0.03 -0.14 0.00 1.08 0.00 0.00 64.86 65.72 2qal h ILE 119 Cb 0.39 0.26 0.01 0.00 -1.09 0.00 0.00 36.82 36.40 2qal h ILE 119 CO 0.09 0.02 -0.52 0.71 -1.08 0.00 0.00 178.15 177.36 2qal h THR 120 N 0.09 1.41 -0.64 2.19 1.35 -1.16 -3.27 112.91 112.88 2qal h THR 120 Ca 0.63 -1.95 0.11 0.00 -0.55 0.00 0.00 66.41 64.65 2qal h THR 120 Cb 2.30 2.44 -0.08 0.00 -1.73 0.00 0.00 68.15 71.08 2qal h THR 120 CO -0.11 0.57 0.22 0.28 -0.25 0.00 0.00 175.52 176.24 2qal h SER 121 N -0.05 0.19 -0.84 5.36 0.02 -0.02 -0.83 113.55 117.38 2qal h SER 121 Ca -0.05 0.09 0.17 0.00 -0.84 0.00 0.00 61.79 61.16 2qal h SER 121 Cb 1.21 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.73 2qal h SER 121 CO 0.11 0.10 0.38 1.56 -1.14 0.00 0.00 176.83 177.84 2qal h GLN 122 N 0.39 0.48 -0.08 3.45 4.20 -1.45 -1.20 115.11 120.89 2qal h GLN 122 Ca 0.33 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.05 2qal h GLN 122 Cb 0.45 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2qal h GLN 122 CO -0.35 0.32 -0.22 -0.07 -0.67 0.00 0.00 178.83 177.84 2qal h LEU 123 N 0.50 -0.66 -2.25 1.46 3.38 -1.21 0.13 115.31 116.64 2qal h LEU 123 Ca 0.48 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.60 2qal h LEU 123 Cb 0.79 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2qal h LEU 123 CO -0.43 -0.27 0.23 -0.33 0.09 0.00 0.00 178.44 177.72 2qal h GLU 124 N -0.30 0.00 -0.09 1.13 5.08 -1.15 0.47 114.58 119.71 2qal h GLU 124 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qal h GLU 124 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2qal h GLU 124 CO -0.26 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.62 2qal n ARG 125 N -3.51 1.25 -3.15 2.33 0.63 0.43 -4.88 116.66 109.76 2qal n ARG 125 Ca 0.01 -0.39 -0.17 0.00 -0.92 0.00 0.00 57.85 56.38 2qal n ARG 125 Cb 0.34 -1.17 0.05 0.00 0.45 0.00 0.00 32.46 32.13 2qal n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qal n ARG 126 N -0.26 -5.17 -3.70 -0.14 5.12 0.16 -5.02 116.66 107.66 2qal n ARG 126 Ca 0.08 0.63 -0.33 0.00 -1.93 0.00 0.00 57.85 56.30 2qal n ARG 126 Cb 0.11 -5.01 -0.05 0.00 -1.16 0.00 0.00 32.46 26.35 2qal n ARG 126 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qal s VAL 127 N -3.16 5.21 -0.32 1.55 -7.23 -1.11 -4.99 120.40 110.35 2qal s VAL 127 Ca 0.37 0.09 -0.35 0.00 -1.81 0.00 0.00 61.98 60.28 2qal s VAL 127 Cb -0.16 -3.61 -0.11 0.00 0.56 0.00 0.00 36.38 33.05 2qal s VAL 127 CO 0.45 0.16 2.15 0.23 -0.31 0.00 0.00 175.10 177.79 2qal n MET 128 N 0.47 1.18 -0.30 4.82 0.00 -1.26 -4.64 117.12 117.39 2qal n MET 128 Ca -0.06 0.34 0.14 0.00 0.00 0.00 0.00 57.70 58.12 2qal n MET 128 Cb 0.52 -2.48 0.31 0.00 0.00 0.00 0.00 33.22 31.56 2qal n MET 128 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2qal h PHE 129 N 12.03 0.41 -0.31 2.03 -0.00 -1.95 0.45 116.94 129.60 2qal h PHE 129 Ca -0.30 0.05 0.01 0.00 -0.00 0.00 0.00 57.97 57.73 2qal h PHE 129 Cb 1.31 -0.04 -0.02 0.00 -0.00 0.00 0.00 35.95 37.21 2qal h PHE 129 CO 0.94 -0.21 0.19 -0.09 -0.00 0.00 0.00 178.31 179.14 2qal h ARG 130 N 0.22 0.37 -0.31 6.09 9.65 -2.01 -3.02 114.38 125.37 2qal h ARG 130 Ca 0.57 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.49 2qal h ARG 130 Cb 1.16 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.59 2qal h ARG 130 CO -0.65 0.24 -0.12 -0.09 2.80 0.00 0.00 179.97 182.15 2qal h ARG 131 N 0.38 -0.06 -0.52 0.20 9.65 -1.27 -2.21 114.38 120.55 2qal h ARG 131 Ca 0.12 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 2qal h ARG 131 Cb -0.01 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 2qal h ARG 131 CO -0.05 -0.04 0.10 0.00 2.80 0.00 0.00 179.97 182.78 2qal h ALA 132 N 1.21 0.59 -0.04 2.80 0.00 -1.39 0.12 119.26 122.54 2qal h ALA 132 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qal h ALA 132 Cb 0.30 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qal h ALA 132 CO -0.35 -0.31 0.00 -1.33 0.00 0.00 0.00 179.25 177.26 2qal n MET 133 N -5.12 0.00 -0.31 0.00 2.81 -0.85 -0.87 117.12 112.78 2qal n MET 133 Ca 0.06 0.80 0.04 0.00 -1.81 0.00 0.00 57.70 56.80 2qal n MET 133 Cb 0.26 -1.49 0.19 0.00 -0.71 0.00 0.00 33.22 31.47 2qal n MET 133 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qal h LYS 134 N 0.00 0.82 0.11 0.03 3.64 -1.35 -1.76 116.57 118.06 2qal h LYS 134 Ca 0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2qal h LYS 134 Cb 0.00 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2qal h LYS 134 CO 0.00 0.54 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.38 2qal h ARG 135 N 0.85 -0.43 -0.84 1.90 9.65 -0.37 0.19 114.38 125.33 2qal h ARG 135 Ca 0.43 0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.34 2qal h ARG 135 Cb 0.41 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 2qal h ARG 135 CO -0.26 -0.29 0.51 0.00 2.80 0.00 0.00 179.97 182.73 2qal h ALA 136 N 0.30 1.07 0.83 2.80 0.00 -0.67 -2.95 119.26 120.64 2qal h ALA 136 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qal h ALA 136 Cb 0.48 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qal h ALA 136 CO -0.15 0.53 -0.40 0.28 0.00 0.00 0.00 179.25 179.51 2qal h VAL 137 N 1.15 0.15 -0.96 0.00 2.07 -0.84 -2.41 116.25 115.40 2qal h VAL 137 Ca 0.30 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.93 2qal h VAL 137 Cb -0.05 0.16 -0.17 0.00 -1.52 0.00 0.00 31.29 29.70 2qal h VAL 137 CO -0.06 0.00 -0.29 -0.61 0.02 0.00 0.00 177.57 176.63 2qal h GLN 138 N -1.17 -0.01 0.70 1.57 5.75 -0.55 -0.20 115.11 121.20 2qal h GLN 138 Ca -0.11 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2qal h GLN 138 Cb 0.86 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.42 2qal h GLN 138 CO 0.19 -0.00 -0.33 -0.91 -2.65 0.00 0.00 178.83 175.12 2qal h ASN 139 N -0.01 -0.79 -0.60 -0.69 -0.26 -1.47 -1.36 115.58 110.40 2qal h ASN 139 Ca 0.42 0.01 0.12 0.00 -0.56 0.00 0.00 56.30 56.29 2qal h ASN 139 Cb 0.67 0.20 -0.10 0.00 -1.06 0.00 0.00 38.32 38.03 2qal h ASN 139 CO -0.98 -0.53 0.02 0.00 -1.06 0.00 0.00 177.43 174.88 2qal h ALA 140 N -0.71 0.61 0.00 -0.83 0.00 -0.75 0.55 119.26 118.14 2qal h ALA 140 Ca -0.10 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qal h ALA 140 Cb 0.73 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qal h ALA 140 CO 0.16 -0.38 -0.20 1.98 0.00 0.00 0.00 179.25 180.81 2qal h MET 141 N 0.14 0.00 0.04 0.00 -1.53 -1.03 -2.99 114.93 109.55 2qal h MET 141 Ca 0.31 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.44 2qal h MET 141 Cb 0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 2qal h MET 141 CO -0.49 0.20 -0.66 -0.09 0.14 0.00 0.00 176.91 176.00 2qal h ARG 142 N 0.00 0.08 0.00 0.39 2.43 0.60 -3.30 114.38 114.57 2qal h ARG 142 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2qal h ARG 142 Cb 0.45 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qal h ARG 142 CO 0.03 1.06 0.00 1.28 -1.51 0.00 0.00 179.97 180.83 2qal n LEU 143 N -4.39 0.00 0.00 3.80 7.99 0.16 -4.92 117.00 119.64 2qal n LEU 143 Ca -0.19 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2qal n LEU 143 Cb 0.64 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 2qal n LEU 143 CO 0.33 -0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 2qal n GLY 144 N -0.41 0.44 1.45 -0.72 0.00 -1.14 -5.04 105.19 99.77 2qal n GLY 144 Ca 0.07 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.97 2qal n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal n ALA 145 N -1.00 -3.79 -0.13 4.61 0.00 -1.26 -4.14 120.51 114.80 2qal n ALA 145 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.26 2qal n ALA 145 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2qal n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qal n LYS 146 N -4.32 0.61 -3.62 0.00 5.02 0.99 -4.92 118.16 111.93 2qal n LYS 146 Ca -0.07 -0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 55.82 2qal n LYS 146 Cb 0.68 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.82 2qal n LYS 146 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qal s GLY 147 N -0.18 -0.07 -0.04 0.72 0.00 -0.39 -2.40 107.32 104.95 2qal s GLY 147 Ca 0.00 2.59 -0.17 0.00 0.00 0.00 0.00 44.72 47.14 2qal s GLY 147 CO 0.00 1.41 0.37 -1.50 0.00 0.00 0.00 173.10 173.39 2qal s ILE 148 N -0.54 0.04 -0.25 0.90 2.07 0.27 0.78 121.20 124.46 2qal s ILE 148 Ca 0.03 -0.34 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 2qal s ILE 148 Cb -0.03 -0.66 0.12 0.00 0.13 0.00 0.00 42.46 42.03 2qal s ILE 148 CO -0.05 -0.19 0.29 -0.75 -1.91 0.00 0.00 174.94 172.33 2qal s LYS 149 N -1.07 0.29 0.12 3.50 2.20 0.16 -1.27 119.74 123.66 2qal s LYS 149 Ca -0.11 0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 2qal s LYS 149 Cb -0.04 -0.80 -0.06 0.00 -1.51 0.00 0.00 37.83 35.41 2qal s LYS 149 CO 0.04 -0.83 0.46 0.08 -0.36 0.00 0.00 175.35 174.75 2qal s VAL 150 N 2.39 5.02 -0.19 4.02 1.01 -1.15 -0.86 120.40 130.63 2qal s VAL 150 Ca 0.09 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 2qal s VAL 150 Cb -0.15 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2qal s VAL 150 CO -0.22 0.21 0.26 -0.70 0.00 0.00 0.00 175.10 174.65 2qal s GLU 151 N -2.11 0.21 -0.20 2.72 2.12 -0.18 -4.30 118.70 116.96 2qal s GLU 151 Ca 0.37 0.41 -0.11 0.00 0.36 0.00 0.00 54.97 56.00 2qal s GLU 151 Cb -0.14 -0.77 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 2qal s GLU 151 CO 0.19 -0.56 0.16 0.08 -0.54 0.00 0.00 175.26 174.59 2qal s VAL 152 N 2.39 5.39 0.00 3.70 1.01 -1.22 -1.05 120.40 130.62 2qal s VAL 152 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2qal s VAL 152 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2qal s VAL 152 CO -0.12 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 2qal n SER 153 N 3.64 0.00 -4.62 3.32 3.41 0.84 0.06 113.62 120.26 2qal n SER 153 Ca -0.15 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.22 2qal n SER 153 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.59 2qal n SER 153 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qal s GLY 154 N 0.00 1.76 -0.76 5.00 0.00 -1.24 -3.62 107.32 108.45 2qal s GLY 154 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2qal s GLY 154 CO 0.00 -1.15 0.00 0.54 0.00 0.00 0.00 173.10 172.49 2qal n ARG 155 N -2.91 -0.66 -2.12 2.90 5.12 -1.26 -4.68 116.66 113.04 2qal n ARG 155 Ca 0.16 0.49 -0.41 0.00 -1.93 0.00 0.00 57.85 56.16 2qal n ARG 155 Cb 0.61 -4.44 -0.02 0.00 -1.16 0.00 0.00 32.46 27.44 2qal n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qal s LEU 156 N -2.35 4.43 0.00 0.55 1.43 -1.26 -1.96 118.68 119.51 2qal s LEU 156 Ca 0.00 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2qal s LEU 156 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2qal s LEU 156 CO 0.00 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2qal n GLY 157 N 0.95 0.54 1.57 -3.19 0.00 -1.26 -2.32 105.19 101.49 2qal n GLY 157 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qal n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 158 N -2.00 0.52 3.72 -0.02 0.00 -0.83 -5.03 105.19 101.55 2qal n GLY 158 Ca 0.00 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2qal n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal n ALA 159 N 0.36 1.14 0.25 4.61 0.00 -0.98 -4.88 120.51 121.01 2qal n ALA 159 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2qal n ALA 159 Cb 0.00 -2.31 0.64 0.00 0.00 0.00 0.00 19.45 17.78 2qal n ALA 159 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qal h GLU 160 N 0.71 0.00 -4.97 0.00 5.08 -1.95 -3.39 114.58 110.05 2qal h GLU 160 Ca -0.51 -0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.19 2qal h GLU 160 Cb 1.34 -0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.31 2qal h GLU 160 CO 0.54 0.00 -0.72 0.42 -1.00 0.00 0.00 179.01 178.25 2qal s ILE 161 N -5.07 3.39 0.37 3.13 1.01 -1.26 -5.06 121.20 117.71 2qal s ILE 161 Ca -0.05 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2qal s ILE 161 Cb 0.17 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 2qal s ILE 161 CO 0.67 0.38 1.29 0.00 0.00 0.00 0.00 174.94 177.28 2qal s ALA 162 N 1.47 3.36 -0.09 9.38 0.00 -1.26 -4.55 121.76 130.08 2qal s ALA 162 Ca 0.05 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 2qal s ALA 162 Cb -0.15 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.54 2qal s ALA 162 CO -0.03 -0.71 0.22 -0.98 0.00 0.00 0.00 175.76 174.27 2qal s ARG 163 N -2.03 0.20 0.08 0.00 1.70 -1.26 -4.65 118.95 113.00 2qal s ARG 163 Ca 0.53 0.44 -0.27 0.00 -0.47 0.00 0.00 55.73 55.96 2qal s ARG 163 Cb -0.38 -0.07 -0.06 0.00 -0.57 0.00 0.00 34.95 33.87 2qal s ARG 163 CO 0.50 -0.13 0.84 0.99 -1.08 0.00 0.00 175.30 176.42 2qal s THR 164 N 0.95 4.61 0.27 4.99 2.01 -1.24 -3.68 115.64 123.55 2qal s THR 164 Ca -0.07 1.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.72 2qal s THR 164 Cb -0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2qal s THR 164 CO -0.06 0.36 0.49 -0.70 -0.69 0.00 0.00 174.62 174.02 2qal s GLU 165 N -0.12 3.56 0.00 4.92 2.56 0.11 -4.98 118.70 124.75 2qal s GLU 165 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.20 2qal s GLU 165 Cb -0.22 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.19 2qal s GLU 165 CO 0.26 0.27 0.00 1.87 -0.56 0.00 0.00 175.26 177.10 2qal n TRP 166 N -1.00 0.00 -0.17 5.30 -0.00 -1.26 -3.45 117.44 116.86 2qal n TRP 166 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 2qal n TRP 166 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 2qal n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 2qal n TYR 167 N 0.00 -0.44 -3.65 5.87 9.36 -1.26 -4.38 117.16 122.65 2qal n TYR 167 Ca 0.00 0.23 -0.01 0.00 3.32 0.00 0.00 57.90 61.44 2qal n TYR 167 Cb 0.00 -1.60 -0.07 0.00 -0.63 0.00 0.00 39.34 37.04 2qal n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2qal s ARG 168 N -4.25 0.07 0.29 2.98 3.00 -1.26 -2.94 118.95 116.84 2qal s ARG 168 Ca 0.00 0.10 0.10 0.00 -1.00 0.00 0.00 55.73 54.93 2qal s ARG 168 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 34.95 34.92 2qal s ARG 168 CO 0.00 -0.01 -0.15 -1.21 0.00 0.00 0.00 175.30 173.93 2qal s GLU 169 N 0.44 1.67 0.21 5.12 2.02 -0.40 -4.98 118.70 122.78 2qal s GLU 169 Ca 0.01 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.20 2qal s GLU 169 Cb -0.04 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.56 2qal s GLU 169 CO -0.13 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2qal n GLY 170 N -0.64 -2.13 3.75 -1.39 0.00 -1.26 -0.57 105.19 102.95 2qal n GLY 170 Ca -0.05 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2qal n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qal s ARG 171 N -2.38 4.45 -0.47 1.61 1.70 -1.01 -4.57 118.95 118.28 2qal s ARG 171 Ca 0.00 0.99 0.07 0.00 -0.47 0.00 0.00 55.73 56.32 2qal s ARG 171 Cb 0.00 -3.35 0.23 0.00 -0.57 0.00 0.00 34.95 31.26 2qal s ARG 171 CO 0.00 0.31 0.55 0.28 -1.08 0.00 0.00 175.30 175.36 2qal n VAL 172 N 2.74 0.11 -2.34 4.99 0.31 -1.26 -3.99 118.33 118.89 2qal n VAL 172 Ca -0.04 -4.27 -0.35 0.00 -0.01 0.00 0.00 64.34 59.68 2qal n VAL 172 Cb 0.50 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 2qal n VAL 172 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qal s PRO 173 N -1.33 3.15 0.29 5.55 0.04 -1.26 -4.80 135.00 136.64 2qal s PRO 173 Ca 0.35 -0.76 0.25 0.00 0.04 0.00 0.00 61.00 60.88 2qal s PRO 173 Cb 0.13 -5.23 0.99 0.00 0.04 0.00 0.00 34.50 30.43 2qal s PRO 173 CO -0.10 -2.71 1.75 -0.07 0.04 0.00 0.00 177.00 175.91 2qal h LEU 174 N 14.98 0.00 -0.30 -3.56 4.07 -2.01 -2.68 115.31 125.80 2qal h LEU 174 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2qal h LEU 174 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2qal h LEU 174 CO 1.34 0.00 0.00 0.45 -1.08 0.00 0.00 178.44 179.15 2qal h HIS 175 N 0.00 0.00 -3.66 1.13 3.86 -2.02 -3.43 115.15 111.03 2qal h HIS 175 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2qal h HIS 175 Cb 0.46 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 2qal h HIS 175 CO 0.00 0.00 0.65 0.99 0.86 0.00 0.00 177.93 180.43 2qal s THR 176 N -3.28 4.42 0.22 2.45 2.01 -1.01 -4.89 115.64 115.55 2qal s THR 176 Ca 0.06 0.82 -0.07 0.00 0.31 0.00 0.00 61.69 62.81 2qal s THR 176 Cb 0.07 -4.47 0.17 0.00 0.01 0.00 0.00 72.50 68.28 2qal s THR 176 CO 0.62 -0.88 1.80 -0.07 -0.69 0.00 0.00 174.62 175.40 2qal h LEU 177 N 10.71 1.11 -5.28 4.42 3.38 -1.88 -2.87 115.31 124.90 2qal h LEU 177 Ca -0.24 -0.16 -0.67 0.00 0.09 0.00 0.00 57.88 56.91 2qal h LEU 177 Cb 1.07 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2qal h LEU 177 CO 1.05 0.96 2.22 -1.14 0.09 0.00 0.00 178.44 181.62 2qal n ARG 178 N -4.29 3.99 0.00 1.13 0.63 -1.26 -4.03 116.66 112.83 2qal n ARG 178 Ca 0.08 -2.96 0.00 0.00 -0.92 0.00 0.00 57.85 54.05 2qal n ARG 178 Cb 0.17 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.52 2qal n ARG 178 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qal n ALA 179 N 1.94 1.35 -2.48 5.13 0.00 -1.09 -3.44 120.51 121.92 2qal n ALA 179 Ca 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.04 2qal n ALA 179 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2qal n ALA 179 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qal n ASP 180 N -1.08 -5.05 -4.03 0.00 -0.08 -1.25 -3.88 116.55 101.18 2qal n ASP 180 Ca 0.00 1.53 -0.24 0.00 -1.51 0.00 0.00 54.79 54.57 2qal n ASP 180 Cb 0.18 -4.58 -0.16 0.00 2.34 0.00 0.00 41.12 38.90 2qal n ASP 180 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qal s ILE 181 N -0.51 1.08 -0.87 5.18 1.09 -1.26 -3.84 121.20 122.06 2qal s ILE 181 Ca -0.11 -0.47 -0.21 0.00 -1.10 0.00 0.00 60.65 58.76 2qal s ILE 181 Cb 0.01 -0.98 0.09 0.00 -1.06 0.00 0.00 42.46 40.52 2qal s ILE 181 CO 0.29 0.34 1.16 -0.62 -0.10 0.00 0.00 174.94 176.01 2qal s ASP 182 N 0.50 6.46 -0.11 3.58 3.68 0.13 -4.77 116.67 126.14 2qal s ASP 182 Ca -0.11 -1.58 -0.03 0.00 2.13 0.00 0.00 52.55 52.97 2qal s ASP 182 Cb -0.14 -2.45 -0.03 0.00 -1.45 0.00 0.00 42.92 38.85 2qal s ASP 182 CO 0.03 -1.29 -0.01 -0.47 0.13 0.00 0.00 175.17 173.56 2qal s TYR 183 N 3.67 3.11 0.01 -5.34 5.04 -1.26 -2.16 117.35 120.42 2qal s TYR 183 Ca 0.33 0.05 -0.28 0.00 -2.44 0.00 0.00 57.07 54.73 2qal s TYR 183 Cb -0.07 -1.85 0.09 0.00 0.35 0.00 0.00 41.96 40.48 2qal s TYR 183 CO -0.04 0.31 0.78 1.21 -1.34 0.00 0.00 175.55 176.47 2qal s ASN 184 N -0.46 -0.48 0.46 4.32 3.04 -1.12 -4.79 114.94 115.91 2qal s ASN 184 Ca 0.08 0.21 0.02 0.00 0.04 0.00 0.00 52.86 53.21 2qal s ASN 184 Cb -0.12 0.46 -0.01 0.00 -1.54 0.00 0.00 41.25 40.04 2qal s ASN 184 CO 0.02 -0.67 0.08 0.42 -3.04 0.00 0.00 177.10 173.91 2qal s THR 185 N -2.58 0.79 -0.30 -5.21 -4.23 -1.26 -1.63 115.64 101.21 2qal s THR 185 Ca -0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 2qal s THR 185 Cb -0.01 -2.21 0.19 0.00 1.34 0.00 0.00 72.50 71.81 2qal s THR 185 CO -0.05 0.00 1.22 -0.94 -0.54 0.00 0.00 174.62 174.32 2qal s SER 186 N -3.74 -0.18 0.10 3.99 1.04 -0.88 -4.65 113.70 109.37 2qal s SER 186 Ca 0.14 0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 2qal s SER 186 Cb 0.01 1.19 -0.06 0.00 0.10 0.00 0.00 66.02 67.27 2qal s SER 186 CO 0.09 -0.03 0.96 -1.61 0.98 0.00 0.00 173.24 173.62 2qal s GLU 187 N 2.23 4.68 -0.47 4.02 2.02 -1.26 -2.73 118.70 127.19 2qal s GLU 187 Ca -0.01 1.44 -0.11 0.00 0.02 0.00 0.00 54.97 56.31 2qal s GLU 187 Cb -0.03 -3.38 0.10 0.00 0.10 0.00 0.00 34.13 30.92 2qal s GLU 187 CO -0.16 0.20 0.35 0.00 0.02 0.00 0.00 175.26 175.67 2qal s ALA 188 N 0.07 3.43 -0.75 5.21 0.00 0.53 -4.86 121.76 125.39 2qal s ALA 188 Ca 0.47 -2.34 -0.26 0.00 0.00 0.00 0.00 51.96 49.83 2qal s ALA 188 Cb -0.23 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2qal s ALA 188 CO 0.30 -1.81 1.60 -1.01 0.00 0.00 0.00 175.76 174.83 2qal s HIS 189 N 1.47 2.03 0.84 0.00 0.09 -1.26 -0.33 115.29 118.14 2qal s HIS 189 Ca 0.04 0.23 -0.12 0.00 -0.00 0.00 0.00 55.06 55.21 2qal s HIS 189 Cb -0.25 -4.37 0.12 0.00 -0.00 0.00 0.00 32.58 28.07 2qal s HIS 189 CO 0.02 -2.10 1.19 0.99 -0.00 0.00 0.00 174.74 174.84 2qal s THR 190 N 7.38 2.05 0.52 1.30 2.01 -0.15 -4.88 115.64 123.88 2qal s THR 190 Ca 0.52 -0.08 0.41 0.00 0.31 0.00 0.00 61.69 62.86 2qal s THR 190 Cb -0.08 -2.98 0.41 0.00 0.01 0.00 0.00 72.50 69.86 2qal s THR 190 CO 0.12 0.00 2.26 0.71 -0.69 0.00 0.00 174.62 177.01 2qal h THR 191 N -1.15 0.00 -0.81 -0.82 1.35 -1.95 -3.24 112.91 106.29 2qal h THR 191 Ca -0.45 -0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.07 2qal h THR 191 Cb 1.29 0.92 -0.26 0.00 -1.73 0.00 0.00 68.15 68.37 2qal h THR 191 CO 0.54 0.00 -0.77 0.00 -0.25 0.00 0.00 175.52 175.05 2qal n TYR 192 N -2.94 -1.44 0.00 4.73 0.18 -1.26 -5.13 117.16 111.30 2qal n TYR 192 Ca -0.03 -2.78 0.00 0.00 1.88 0.00 0.00 57.90 56.97 2qal n TYR 192 Cb 0.07 0.74 0.00 0.00 -0.38 0.00 0.00 39.34 39.76 2qal n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2qal n GLY 193 N 0.22 4.36 3.83 -7.48 0.00 -1.22 -5.06 105.19 99.83 2qal n GLY 193 Ca 0.12 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2qal n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qal s VAL 194 N -1.51 4.27 -0.31 1.61 1.01 -1.26 -0.97 120.40 123.22 2qal s VAL 194 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2qal s VAL 194 Cb 0.00 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.92 2qal s VAL 194 CO 0.00 -0.86 0.22 -0.63 0.00 0.00 0.00 175.10 173.83 2qal s ILE 195 N -2.92 -0.13 0.84 2.22 1.01 0.56 -4.81 121.20 117.97 2qal s ILE 195 Ca 0.58 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 2qal s ILE 195 Cb -0.13 -0.98 0.10 0.00 0.01 0.00 0.00 42.46 41.47 2qal s ILE 195 CO 0.48 -0.71 1.16 -0.83 0.00 0.00 0.00 174.94 175.04 2qal s GLY 196 N 1.84 1.90 -0.13 6.18 0.00 -1.26 -0.35 107.32 115.51 2qal s GLY 196 Ca 0.12 0.66 -0.08 0.00 0.00 0.00 0.00 44.72 45.42 2qal s GLY 196 CO -0.23 1.06 0.31 0.14 0.00 0.00 0.00 173.10 174.38 2qal s VAL 197 N -2.46 -0.03 -0.07 1.40 1.01 -1.11 -0.11 120.40 119.04 2qal s VAL 197 Ca 0.69 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.78 2qal s VAL 197 Cb -0.24 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2qal s VAL 197 CO 0.54 0.04 -0.10 -0.54 0.00 0.00 0.00 175.10 175.04 2qal s LYS 198 N 1.04 1.52 -0.11 2.72 1.02 -0.22 -2.08 119.74 123.63 2qal s LYS 198 Ca -0.07 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.61 2qal s LYS 198 Cb -0.08 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2qal s LYS 198 CO -0.08 -0.05 -0.17 0.14 -0.92 0.00 0.00 175.35 174.27 2qal s VAL 199 N 0.91 2.67 -0.30 3.17 -7.23 -0.65 -1.02 120.40 117.96 2qal s VAL 199 Ca -0.10 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 2qal s VAL 199 Cb -0.15 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 34.80 2qal s VAL 199 CO 0.01 0.54 -0.02 0.26 -0.31 0.00 0.00 175.10 175.58 2qal s TRP 200 N 0.20 3.50 -0.29 2.82 0.51 -0.04 -2.79 118.94 122.85 2qal s TRP 200 Ca -0.11 -2.67 -0.04 0.00 -2.12 0.00 0.00 56.10 51.16 2qal s TRP 200 Cb -0.16 -2.45 0.03 0.00 -0.81 0.00 0.00 33.47 30.08 2qal s TRP 200 CO 0.06 -0.91 0.02 0.42 -0.51 0.00 0.00 176.95 176.03 2qal s ILE 201 N 1.01 3.35 -0.41 2.03 1.01 -0.92 0.36 121.20 127.63 2qal s ILE 201 Ca 0.02 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 2qal s ILE 201 Cb -0.19 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.48 2qal s ILE 201 CO -0.07 0.01 0.37 0.12 0.00 0.00 0.00 174.94 175.37 2qal s PHE 202 N 1.36 3.20 -0.19 3.97 5.36 0.23 0.20 117.98 132.12 2qal s PHE 202 Ca -0.01 -0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 55.35 2qal s PHE 202 Cb -0.18 -2.74 -0.16 0.00 -0.34 0.00 0.00 43.02 39.60 2qal s PHE 202 CO -0.00 -0.62 0.17 0.87 -1.46 0.00 0.00 175.22 174.18 2qal h LYS 203 N 8.66 0.00 -1.97 10.12 1.57 -1.82 0.32 116.57 133.45 2qal h LYS 203 Ca -0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 2qal h LYS 203 Cb 1.12 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.23 2qal h LYS 203 CO 0.75 0.77 0.20 0.20 -0.57 0.00 0.00 179.45 180.81 2qal s GLY 204 N -4.65 -0.54 0.00 3.86 0.00 -1.26 -3.89 107.32 100.84 2qal s GLY 204 Ca -0.25 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.08 2qal s GLY 204 CO 0.51 1.22 0.00 1.18 0.00 0.00 0.00 173.10 176.01 2qal n GLU 205 N 1.46 0.00 0.00 2.90 -0.58 -1.25 -4.16 120.64 119.01 2qal n GLU 205 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2qal n GLU 205 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 2qal n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16