#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2og2 h ASP 25 N 0.00 -0.59 -0.98 -3.46 1.82 -2.00 0.16 116.42 111.37 2og2 h ASP 25 Ca 0.00 0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.84 2og2 h ASP 25 Cb 0.00 0.40 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 2og2 h ASP 25 CO 0.00 -0.21 0.65 1.62 -1.61 0.00 0.00 179.24 179.69 2og2 h VAL 26 N 0.00 1.25 0.00 2.25 3.04 -2.02 -2.56 116.25 118.21 2og2 h VAL 26 Ca 0.31 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 2og2 h VAL 26 Cb 0.48 -0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 2og2 h VAL 26 CO -0.66 0.24 0.00 -0.62 -1.01 0.00 0.00 177.57 175.52 2og2 n GLU 27 N -4.41 0.03 0.05 4.17 -0.58 0.01 -2.53 120.64 117.39 2og2 n GLU 27 Ca 0.12 0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 2og2 n GLU 27 Cb 0.02 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2og2 n GLU 27 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2og2 h LYS 28 N 0.00 -0.02 -0.10 3.49 1.79 -0.35 -2.99 116.57 118.39 2og2 h LYS 28 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2og2 h LYS 28 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2og2 h LYS 28 CO 0.00 -0.00 -0.40 0.28 -1.08 0.00 0.00 179.45 178.25 2og2 h VAL 29 N -0.03 1.30 -0.37 0.50 2.07 -1.57 -1.52 116.25 116.63 2og2 h VAL 29 Ca -0.00 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 2og2 h VAL 29 Cb 0.02 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2og2 h VAL 29 CO 0.00 0.44 0.21 -0.26 0.02 0.00 0.00 177.57 177.98 2og2 h PHE 30 N 0.18 0.49 0.23 1.57 -1.00 -1.47 -2.61 116.94 114.33 2og2 h PHE 30 Ca 0.02 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.46 2og2 h PHE 30 Cb 0.78 -0.16 0.03 0.00 3.61 0.00 0.00 35.95 40.21 2og2 h PHE 30 CO 0.01 0.34 -1.53 0.77 -1.61 0.00 0.00 178.31 176.29 2og2 h SER 31 N 0.51 0.76 -0.84 2.17 0.02 -1.29 -2.89 113.55 111.98 2og2 h SER 31 Ca 0.13 -0.87 0.20 0.00 -0.84 0.00 0.00 61.79 60.42 2og2 h SER 31 Cb 0.00 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 2og2 h SER 31 CO -0.02 1.70 0.57 1.23 -1.14 0.00 0.00 176.83 179.17 2og2 h GLY 32 N 0.43 0.54 -0.23 -3.77 0.00 -0.99 -2.22 103.07 96.84 2og2 h GLY 32 Ca -0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2og2 h GLY 32 CO 0.25 0.00 -0.10 0.69 0.00 0.00 0.00 176.54 177.38 2og2 n PHE 33 N -4.43 0.02 -0.29 5.60 3.72 -1.01 -1.02 117.46 120.05 2og2 n PHE 33 Ca 0.17 -1.10 0.07 0.00 -0.05 0.00 0.00 57.45 56.54 2og2 n PHE 33 Cb 0.73 -0.17 0.22 0.00 -0.94 0.00 0.00 39.48 39.32 2og2 n PHE 33 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2og2 h SER 34 N 0.23 0.47 0.07 4.37 4.64 -1.17 -0.93 113.55 121.23 2og2 h SER 34 Ca 0.00 0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 2og2 h SER 34 Cb 1.01 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2og2 h SER 34 CO 0.00 0.19 -0.43 0.50 -0.87 0.00 0.00 176.83 176.22 2og2 h LYS 35 N 0.58 0.45 -0.61 4.77 1.63 -1.80 -1.14 116.57 120.44 2og2 h LYS 35 Ca 0.46 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.92 2og2 h LYS 35 Cb 0.66 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2og2 h LYS 35 CO -0.37 0.80 -0.00 1.15 -3.45 0.00 0.00 179.45 177.57 2og2 h THR 36 N 0.37 1.27 -0.38 1.00 2.02 -0.68 -2.35 112.91 114.15 2og2 h THR 36 Ca 0.03 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.00 2og2 h THR 36 Cb 0.91 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2og2 h THR 36 CO 0.08 0.42 0.05 -0.09 0.37 0.00 0.00 175.52 176.35 2og2 h ARG 37 N 0.99 0.63 -0.71 6.66 2.43 -0.90 -0.92 114.38 122.56 2og2 h ARG 37 Ca 0.17 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2og2 h ARG 37 Cb 0.57 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 2og2 h ARG 37 CO 0.03 0.70 0.42 0.93 -1.51 0.00 0.00 179.97 180.54 2og2 h GLU 38 N 0.47 0.78 -0.24 0.20 5.08 -1.15 -1.48 114.58 118.23 2og2 h GLU 38 Ca 0.11 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2og2 h GLU 38 Cb 0.38 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2og2 h GLU 38 CO 0.01 0.52 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.17 2og2 h ASN 39 N 0.80 0.68 1.46 1.42 2.35 -1.13 -3.08 115.58 118.08 2og2 h ASN 39 Ca 0.30 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2og2 h ASN 39 Cb 0.10 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2og2 h ASN 39 CO -0.14 1.03 0.00 -0.07 -1.65 0.00 0.00 177.43 176.60 2og2 h LEU 40 N 0.50 0.00 -2.29 1.61 3.38 -0.92 -3.16 115.31 114.43 2og2 h LEU 40 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2og2 h LEU 40 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2og2 h LEU 40 CO 0.09 0.00 0.15 0.00 0.09 0.00 0.00 178.44 178.77 2og2 h ALA 41 N 2.36 1.14 0.00 1.53 0.00 -1.18 -1.01 119.26 122.10 2og2 h ALA 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2og2 h ALA 41 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2og2 h ALA 41 CO 0.00 -0.14 -0.01 -0.39 0.00 0.00 0.00 179.25 178.70 2og2 h VAL 42 N 0.00 0.06 -0.76 0.00 -1.51 -1.74 -2.14 116.25 110.17 2og2 h VAL 42 Ca 0.00 -0.33 -0.06 0.00 -1.23 0.00 0.00 66.70 65.08 2og2 h VAL 42 Cb 0.30 1.31 -0.03 0.00 -2.13 0.00 0.00 31.29 30.74 2og2 h VAL 42 CO 0.00 0.01 0.25 0.40 -1.23 0.00 0.00 177.57 177.01 2og2 h ILE 43 N 0.00 1.26 -0.69 7.19 2.04 -1.45 -1.01 117.51 124.85 2og2 h ILE 43 Ca -0.00 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2og2 h ILE 43 Cb 0.31 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2og2 h ILE 43 CO 0.00 0.35 0.38 0.44 0.00 0.00 0.00 178.15 179.33 2og2 h ASP 44 N 1.12 0.86 -0.13 1.72 3.32 -1.56 -1.05 116.42 120.69 2og2 h ASP 44 Ca 0.25 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2og2 h ASP 44 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2og2 h ASP 44 CO -0.01 0.70 0.03 -0.08 -1.72 0.00 0.00 179.24 178.16 2og2 h GLU 45 N 0.95 0.22 -0.92 3.56 4.81 -1.47 -2.86 114.58 118.87 2og2 h GLU 45 Ca 0.24 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2og2 h GLU 45 Cb 0.03 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2og2 h GLU 45 CO -0.04 0.38 0.57 -0.07 -0.73 0.00 0.00 179.01 179.12 2og2 h LEU 46 N 0.01 0.85 -0.69 1.64 3.38 -1.06 -1.99 115.31 117.45 2og2 h LEU 46 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2og2 h LEU 46 Cb 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2og2 h LEU 46 CO 0.00 0.50 0.00 -0.07 0.09 0.00 0.00 178.44 178.96 2og2 h LEU 47 N 0.96 0.00 -2.14 1.67 3.38 -0.98 -1.90 115.31 116.30 2og2 h LEU 47 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 2og2 h LEU 47 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2og2 h LEU 47 CO -0.23 0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 178.17 2og2 h LEU 48 N 0.00 0.00 -2.89 1.67 3.38 -1.15 -2.20 115.31 114.12 2og2 h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2og2 h LEU 48 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2og2 h LEU 48 CO 0.00 0.07 0.00 0.49 0.09 0.00 0.00 178.44 179.09 2og2 n PHE 49 N -3.85 1.00 -2.56 1.13 3.72 -0.72 -4.96 117.46 111.23 2og2 n PHE 49 Ca -0.02 -0.54 -0.41 0.00 -0.05 0.00 0.00 57.45 56.42 2og2 n PHE 49 Cb 0.16 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 2og2 n PHE 49 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 2og2 s TRP 50 N -1.26 3.61 0.26 1.38 -0.00 -0.83 -4.91 118.94 117.19 2og2 s TRP 50 Ca 0.44 1.59 -0.04 0.00 -0.00 0.00 0.00 56.10 58.09 2og2 s TRP 50 Cb 0.25 -3.24 -0.02 0.00 -0.00 0.00 0.00 33.47 30.46 2og2 s TRP 50 CO 0.27 -0.52 0.32 0.54 -0.00 0.00 0.00 176.95 177.57 2og2 s ASN 51 N 0.31 0.38 0.21 5.86 2.20 -1.26 -4.81 114.94 117.82 2og2 s ASN 51 Ca 0.51 -1.30 -0.11 0.00 -0.94 0.00 0.00 52.86 51.02 2og2 s ASN 51 Cb -0.27 0.52 0.27 0.00 -2.00 0.00 0.00 41.25 39.77 2og2 s ASN 51 CO 0.32 -1.05 1.70 0.25 -2.94 0.00 0.00 177.10 175.38 2og2 h LEU 52 N 2.36 -0.03 -1.56 3.54 5.85 -1.97 -0.24 115.31 123.26 2og2 h LEU 52 Ca -0.30 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2og2 h LEU 52 Cb 1.25 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2og2 h LEU 52 CO 0.43 -0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.52 2og2 h ALA 53 N 1.47 1.65 -0.31 1.25 0.00 -2.00 -2.81 119.26 118.51 2og2 h ALA 53 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2og2 h ALA 53 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2og2 h ALA 53 CO -0.40 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.50 2og2 n GLU 54 N -4.37 1.78 -0.01 0.00 -0.58 -0.11 -4.53 120.64 112.81 2og2 n GLU 54 Ca -0.00 -1.14 -0.11 0.00 -0.42 0.00 0.00 57.16 55.49 2og2 n GLU 54 Cb 0.18 -1.28 -0.05 0.00 -0.57 0.00 0.00 31.44 29.73 2og2 n GLU 54 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2og2 h THR 55 N 1.82 1.00 -0.67 2.62 2.02 -1.34 -1.41 112.91 116.95 2og2 h THR 55 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2og2 h THR 55 Cb 0.46 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2og2 h THR 55 CO 0.01 0.02 0.39 0.44 0.37 0.00 0.00 175.52 176.75 2og2 h ASP 56 N 0.13 0.82 -0.32 4.18 5.19 -1.85 0.04 116.42 124.60 2og2 h ASP 56 Ca 0.05 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.29 2og2 h ASP 56 Cb 0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 2og2 h ASP 56 CO -0.03 0.66 -0.16 -0.09 -3.12 0.00 0.00 179.24 176.49 2og2 h ARG 57 N 0.91 0.68 -0.48 3.56 2.43 -1.85 -1.23 114.38 118.41 2og2 h ARG 57 Ca 0.24 -0.30 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2og2 h ARG 57 Cb 0.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2og2 h ARG 57 CO -0.04 0.90 0.23 0.28 -1.51 0.00 0.00 179.97 179.83 2og2 h VAL 58 N 0.45 0.95 0.00 0.20 2.07 -1.04 -2.47 116.25 116.41 2og2 h VAL 58 Ca 0.07 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2og2 h VAL 58 Cb 0.70 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2og2 h VAL 58 CO 0.05 0.08 -0.43 -0.07 0.02 0.00 0.00 177.57 177.22 2og2 h LEU 59 N 0.46 0.00 -0.89 2.57 3.38 -0.84 -0.53 115.31 119.45 2og2 h LEU 59 Ca 0.21 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2og2 h LEU 59 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2og2 h LEU 59 CO -0.15 0.43 0.58 0.44 0.09 0.00 0.00 178.44 179.83 2og2 h ASP 60 N 0.00 1.00 -0.10 -0.43 3.32 -0.79 -1.02 116.42 118.40 2og2 h ASP 60 Ca -0.00 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.79 2og2 h ASP 60 Cb 0.79 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2og2 h ASP 60 CO 0.06 0.71 -0.86 -0.33 -1.72 0.00 0.00 179.24 177.09 2og2 h GLU 61 N 1.17 0.75 -0.55 3.56 4.39 -0.94 -2.52 114.58 120.45 2og2 h GLU 61 Ca 0.34 -0.68 0.01 0.00 0.34 0.00 0.00 59.36 59.37 2og2 h GLU 61 Cb -0.08 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2og2 h GLU 61 CO -0.09 1.28 0.36 1.25 -1.16 0.00 0.00 179.01 180.64 2og2 h LEU 62 N 0.47 0.61 -0.43 1.33 5.85 -1.03 -1.42 115.31 120.69 2og2 h LEU 62 Ca -0.08 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2og2 h LEU 62 Cb 1.50 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 2og2 h LEU 62 CO 0.17 0.44 0.11 -0.08 -0.34 0.00 0.00 178.44 178.74 2og2 h GLU 63 N 0.72 0.25 -0.43 1.25 4.81 -1.13 -1.35 114.58 118.70 2og2 h GLU 63 Ca 0.21 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2og2 h GLU 63 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2og2 h GLU 63 CO -0.05 0.16 0.28 0.93 -0.73 0.00 0.00 179.01 179.60 2og2 h GLU 64 N 0.25 0.56 -0.83 1.92 5.08 -0.99 -1.79 114.58 118.79 2og2 h GLU 64 Ca 0.21 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2og2 h GLU 64 Cb 0.24 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2og2 h GLU 64 CO -0.25 0.37 0.54 0.00 -1.00 0.00 0.00 179.01 178.67 2og2 h ALA 65 N 1.16 1.08 -0.06 3.43 0.00 -0.74 -1.46 119.26 122.68 2og2 h ALA 65 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2og2 h ALA 65 Cb -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2og2 h ALA 65 CO -0.03 0.38 0.02 -0.07 0.00 0.00 0.00 179.25 179.54 2og2 h LEU 66 N 1.05 0.08 -0.71 0.00 3.38 -0.94 -2.63 115.31 115.56 2og2 h LEU 66 Ca 0.33 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2og2 h LEU 66 Cb -0.02 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2og2 h LEU 66 CO -0.10 0.27 0.33 -0.07 0.09 0.00 0.00 178.44 178.95 2og2 h LEU 67 N -0.10 0.40 -1.66 1.67 3.38 -1.13 -0.72 115.31 117.15 2og2 h LEU 67 Ca 0.02 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2og2 h LEU 67 Cb 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2og2 h LEU 67 CO -0.00 0.22 0.32 0.58 0.09 0.00 0.00 178.44 179.64 2og2 h VAL 68 N 0.55 0.99 -0.39 1.22 2.07 -1.13 -1.25 116.25 118.31 2og2 h VAL 68 Ca 0.36 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2og2 h VAL 68 Cb 0.42 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2og2 h VAL 68 CO -0.30 0.08 0.00 -1.20 0.02 0.00 0.00 177.57 176.17 2og2 n SER 69 N -4.48 4.08 -0.85 0.57 7.64 -0.32 -4.91 113.62 115.35 2og2 n SER 69 Ca 0.06 -2.59 -0.08 0.00 1.01 0.00 0.00 58.87 57.27 2og2 n SER 69 Cb 0.23 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 2og2 n SER 69 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2og2 n ASP 70 N 0.44 -3.17 -4.69 6.43 9.92 -0.47 -0.48 116.55 124.53 2og2 n ASP 70 Ca 0.18 0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 54.06 2og2 n ASP 70 Cb 0.86 -2.20 -0.03 0.00 -0.64 0.00 0.00 41.12 39.11 2og2 n ASP 70 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2og2 s PHE 71 N -2.38 3.33 0.92 1.24 0.40 -0.94 -1.90 117.98 118.65 2og2 s PHE 71 Ca 0.00 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 57.55 2og2 s PHE 71 Cb 0.00 -3.36 0.15 0.00 0.51 0.00 0.00 43.02 40.32 2og2 s PHE 71 CO 0.00 -1.03 1.10 0.20 0.70 0.00 0.00 175.22 176.19 2og2 s GLY 72 N 1.29 1.64 0.26 4.36 0.00 -1.26 -4.25 107.32 109.36 2og2 s GLY 72 Ca 0.55 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 2og2 s GLY 72 CO 0.24 0.66 1.83 -2.55 0.00 0.00 0.00 173.10 173.27 2og2 h PRO 73 N -1.74 0.89 -0.11 2.90 0.11 -1.98 -1.83 132.00 130.24 2og2 h PRO 73 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2og2 h PRO 73 Cb 1.28 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2og2 h PRO 73 CO 0.49 0.59 0.02 -0.22 -0.21 0.00 0.00 178.00 178.67 2og2 h LYS 74 N 0.92 0.18 -0.12 1.05 3.64 -2.00 -2.11 116.57 118.12 2og2 h LYS 74 Ca 0.43 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.59 2og2 h LYS 74 Cb 0.36 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2og2 h LYS 74 CO -0.24 0.38 -0.64 -0.84 -2.27 0.00 0.00 179.45 175.84 2og2 h ILE 75 N -0.06 1.36 -0.13 2.00 3.07 -1.90 -2.73 117.51 119.12 2og2 h ILE 75 Ca 0.03 -1.98 0.03 0.00 1.55 0.00 0.00 64.86 64.49 2og2 h ILE 75 Cb 0.29 1.96 -0.03 0.00 -0.27 0.00 0.00 36.82 38.78 2og2 h ILE 75 CO 0.00 0.60 -0.04 0.74 -1.05 0.00 0.00 178.15 178.40 2og2 h THR 76 N 0.32 0.86 -0.80 0.16 2.02 -1.25 0.15 112.91 114.36 2og2 h THR 76 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2og2 h THR 76 Cb 1.19 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 2og2 h THR 76 CO 0.11 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.93 2og2 h VAL 77 N -0.01 1.26 0.19 3.16 2.07 -1.40 -0.33 116.25 121.19 2og2 h VAL 77 Ca 0.06 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2og2 h VAL 77 Cb 0.11 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2og2 h VAL 77 CO -0.14 0.33 -0.13 -0.09 0.02 0.00 0.00 177.57 177.56 2og2 h ARG 78 N 1.16 -0.31 -0.14 1.57 2.43 -1.08 0.47 114.38 118.48 2og2 h ARG 78 Ca 0.27 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2og2 h ARG 78 Cb 0.18 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2og2 h ARG 78 CO -0.03 -0.20 -0.09 0.82 -1.51 0.00 0.00 179.97 178.96 2og2 h ILE 79 N -0.32 0.74 -0.31 1.20 2.04 -0.56 -2.14 117.51 118.15 2og2 h ILE 79 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2og2 h ILE 79 Cb 0.27 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2og2 h ILE 79 CO 0.01 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.76 2og2 h VAL 80 N -0.08 1.25 -0.14 1.67 2.07 -0.86 -2.12 116.25 118.03 2og2 h VAL 80 Ca 0.08 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 2og2 h VAL 80 Cb 0.21 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2og2 h VAL 80 CO -0.19 0.29 -0.27 -0.33 0.02 0.00 0.00 177.57 177.08 2og2 h GLU 81 N 0.35 0.27 -0.51 1.57 4.39 -0.89 -0.99 114.58 118.77 2og2 h GLU 81 Ca 0.09 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2og2 h GLU 81 Cb 0.39 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2og2 h GLU 81 CO 0.01 0.53 0.01 -0.09 -1.16 0.00 0.00 179.01 178.31 2og2 h ARG 82 N 0.24 0.90 -0.43 2.33 2.43 -1.18 -0.86 114.38 117.82 2og2 h ARG 82 Ca 0.04 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2og2 h ARG 82 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2og2 h ARG 82 CO 0.04 0.92 0.28 -0.07 -1.51 0.00 0.00 179.97 179.63 2og2 h LEU 83 N 0.77 0.48 -0.16 3.80 3.38 -0.93 -0.77 115.31 121.88 2og2 h LEU 83 Ca 0.15 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2og2 h LEU 83 Cb 0.51 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2og2 h LEU 83 CO 0.02 0.34 -0.02 -0.09 0.09 0.00 0.00 178.44 178.78 2og2 h ARG 84 N 0.57 0.02 -0.38 1.13 2.43 -0.99 0.47 114.38 117.62 2og2 h ARG 84 Ca 0.16 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2og2 h ARG 84 Cb -0.05 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2og2 h ARG 84 CO -0.04 0.01 0.15 0.93 -1.51 0.00 0.00 179.97 179.52 2og2 h GLU 85 N 0.02 0.32 0.00 0.20 5.08 -1.01 0.11 114.58 119.30 2og2 h GLU 85 Ca 0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2og2 h GLU 85 Cb 0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2og2 h GLU 85 CO -0.15 0.21 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.40 2og2 h ASP 86 N 0.32 0.00 -0.00 1.42 3.32 -0.75 0.33 116.42 121.06 2og2 h ASP 86 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2og2 h ASP 86 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2og2 h ASP 86 CO -0.15 0.23 -0.02 0.40 -1.72 0.00 0.00 179.24 177.98 2og2 h ILE 87 N 0.00 1.54 -0.44 0.35 2.04 -0.63 -0.09 117.51 120.28 2og2 h ILE 87 Ca -0.00 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 2og2 h ILE 87 Cb 0.87 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 2og2 h ILE 87 CO 0.03 0.42 0.23 0.24 0.00 0.00 0.00 178.15 179.07 2og2 h MET 88 N -0.65 0.60 0.00 2.37 2.86 -0.72 -1.93 114.93 117.46 2og2 h MET 88 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2og2 h MET 88 Cb 0.71 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2og2 h MET 88 CO 0.00 0.45 0.00 -1.13 1.06 0.00 0.00 176.91 177.30 2og2 n SER 89 N -4.42 0.26 0.00 1.22 3.41 0.08 -4.90 113.62 109.27 2og2 n SER 89 Ca 0.03 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2og2 n SER 89 Cb 0.10 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2og2 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2og2 n GLY 90 N 0.97 0.73 0.22 5.00 0.00 -0.73 -4.95 105.19 106.43 2og2 n GLY 90 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2og2 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2og2 h LYS 91 N 2.75 0.48 -5.04 1.61 1.57 -1.27 -3.42 116.57 113.26 2og2 h LYS 91 Ca 0.00 -0.25 -0.66 0.00 -1.87 0.00 0.00 60.65 57.87 2og2 h LYS 91 Cb 0.00 0.01 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 2og2 h LYS 91 CO 0.00 0.82 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.41 2og2 s LEU 92 N -8.42 2.59 -0.02 2.94 1.43 -0.83 -5.00 118.68 111.36 2og2 s LEU 92 Ca -0.07 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2og2 s LEU 92 Cb 0.12 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.77 2og2 s LEU 92 CO 0.81 -0.00 0.99 0.29 0.23 0.00 0.00 176.35 178.67 2og2 n LYS 93 N 4.66 2.35 -3.63 1.70 5.02 -1.26 -4.57 118.16 122.42 2og2 n LYS 93 Ca -0.19 -1.61 -0.10 0.00 -2.02 0.00 0.00 58.31 54.38 2og2 n LYS 93 Cb 0.51 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 2og2 n LYS 93 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2og2 s SER 94 N -1.27 -0.27 0.25 4.39 1.04 -1.26 -5.03 113.70 111.54 2og2 s SER 94 Ca 0.06 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 2og2 s SER 94 Cb 0.05 0.50 0.45 0.00 0.10 0.00 0.00 66.02 67.13 2og2 s SER 94 CO 0.01 -0.89 1.75 1.23 0.98 0.00 0.00 173.24 176.32 2og2 h GLY 95 N 2.30 1.21 1.54 7.32 0.00 -1.87 -0.47 103.07 113.10 2og2 h GLY 95 Ca -0.33 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 2og2 h GLY 95 CO 0.45 -0.03 -0.42 1.48 0.00 0.00 0.00 176.54 178.01 2og2 h SER 96 N 0.55 0.54 -0.49 0.19 4.64 -1.96 -0.71 113.55 116.32 2og2 h SER 96 Ca 0.41 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2og2 h SER 96 Cb 0.57 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2og2 h SER 96 CO -0.35 0.90 0.11 -0.33 -0.87 0.00 0.00 176.83 176.29 2og2 h GLU 97 N 0.42 0.79 -0.53 4.77 5.08 -1.82 -2.06 114.58 121.23 2og2 h GLU 97 Ca 0.03 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2og2 h GLU 97 Cb 0.92 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2og2 h GLU 97 CO 0.08 0.77 0.35 0.82 -1.00 0.00 0.00 179.01 180.03 2og2 h ILE 98 N 0.67 1.13 -0.85 3.13 2.04 -0.83 -1.24 117.51 121.57 2og2 h ILE 98 Ca 0.15 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2og2 h ILE 98 Cb 0.34 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2og2 h ILE 98 CO 0.00 0.13 0.46 0.50 0.00 0.00 0.00 178.15 179.25 2og2 h LYS 99 N 0.71 1.18 -0.23 2.37 1.63 -0.98 -0.98 116.57 120.27 2og2 h LYS 99 Ca 0.19 -0.13 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 2og2 h LYS 99 Cb -0.08 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.31 2og2 h LYS 99 CO -0.04 0.86 -0.48 -0.44 -3.45 0.00 0.00 179.45 175.90 2og2 h ASP 100 N 1.18 0.66 -0.23 4.20 3.32 -1.04 -1.99 116.42 122.52 2og2 h ASP 100 Ca 0.30 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2og2 h ASP 100 Cb 0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2og2 h ASP 100 CO -0.05 1.03 -0.09 0.00 -1.72 0.00 0.00 179.24 178.42 2og2 h ALA 101 N 0.99 1.19 -0.18 3.45 0.00 -0.87 -0.63 119.26 123.19 2og2 h ALA 101 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2og2 h ALA 101 Cb 1.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2og2 h ALA 101 CO 0.09 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.23 2og2 h LEU 102 N 0.55 0.22 -0.99 0.00 5.85 -0.99 -0.72 115.31 119.23 2og2 h LEU 102 Ca 0.10 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2og2 h LEU 102 Cb 0.49 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2og2 h LEU 102 CO 0.03 0.20 0.46 0.11 -0.34 0.00 0.00 178.44 178.89 2og2 h LYS 103 N 0.22 1.16 -0.46 1.25 1.57 -0.93 -2.48 116.57 116.89 2og2 h LYS 103 Ca 0.07 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2og2 h LYS 103 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2og2 h LYS 103 CO -0.01 0.85 -0.19 0.93 -0.57 0.00 0.00 179.45 180.46 2og2 h GLU 104 N 1.17 0.93 -0.67 3.15 5.08 -0.93 -1.32 114.58 121.99 2og2 h GLU 104 Ca 0.29 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2og2 h GLU 104 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2og2 h GLU 104 CO -0.05 1.03 0.24 1.03 -1.00 0.00 0.00 179.01 180.27 2og2 h SER 105 N 0.81 0.92 -0.19 1.42 0.87 -0.88 -0.96 113.55 115.54 2og2 h SER 105 Ca 0.11 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 2og2 h SER 105 Cb 0.75 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2og2 h SER 105 CO 0.06 0.84 -0.43 0.58 -0.53 0.00 0.00 176.83 177.35 2og2 h VAL 106 N 0.97 1.33 -0.98 2.23 2.07 -1.23 -2.67 116.25 117.96 2og2 h VAL 106 Ca 0.22 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2og2 h VAL 106 Cb 0.23 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2og2 h VAL 106 CO -0.02 0.52 0.65 0.25 0.02 0.00 0.00 177.57 178.99 2og2 h LEU 107 N 0.31 1.12 -0.86 2.57 5.85 -0.93 -1.61 115.31 121.76 2og2 h LEU 107 Ca 0.00 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 2og2 h LEU 107 Cb 1.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2og2 h LEU 107 CO 0.09 0.81 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.20 2og2 h GLU 108 N 1.32 0.21 -0.29 1.25 5.08 -1.15 0.60 114.58 121.61 2og2 h GLU 108 Ca 0.36 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2og2 h GLU 108 Cb -0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2og2 h GLU 108 CO -0.08 0.65 -0.21 0.52 -1.00 0.00 0.00 179.01 178.89 2og2 h MET 109 N 0.17 0.54 0.26 2.33 2.86 -1.10 -3.32 114.93 116.67 2og2 h MET 109 Ca 0.01 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2og2 h MET 109 Cb 0.91 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2og2 h MET 109 CO 0.07 0.71 -0.12 -0.07 1.06 0.00 0.00 176.91 178.56 2og2 h LEU 110 N 0.48 -0.29 -8.09 1.22 3.38 -0.82 -3.40 115.31 107.79 2og2 h LEU 110 Ca 0.08 0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.36 2og2 h LEU 110 Cb 0.63 0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.26 2og2 h LEU 110 CO 0.04 -0.00 0.36 0.00 0.09 0.00 0.00 178.44 178.93 2og2 s ALA 111 N -3.57 3.44 0.00 1.53 0.00 0.16 -4.96 121.76 118.35 2og2 s ALA 111 Ca -0.05 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.48 2og2 s ALA 111 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2og2 s ALA 111 CO 0.15 -2.57 0.36 1.17 0.00 0.00 0.00 175.76 174.87 2og2 n LYS 112 N 6.32 0.00 -4.09 0.00 4.81 -1.26 -4.67 118.16 119.28 2og2 n LYS 112 Ca 0.02 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.10 2og2 n LYS 112 Cb 0.45 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.43 2og2 n LYS 112 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2og2 s LYS 116 N 0.00 3.25 0.29 1.64 1.02 -1.26 -5.13 119.74 119.55 2og2 s LYS 116 Ca 0.00 -0.25 0.24 0.00 0.02 0.00 0.00 55.97 55.99 2og2 s LYS 116 Cb 0.00 -3.02 0.52 0.00 -0.52 0.00 0.00 37.83 34.80 2og2 s LYS 116 CO 0.00 0.75 1.61 1.79 -0.92 0.00 0.00 175.35 178.58 2og2 h THR 117 N 4.06 0.00 -4.21 2.17 1.35 -1.93 -3.46 112.91 110.88 2og2 h THR 117 Ca -0.53 -0.72 -0.49 0.00 -0.55 0.00 0.00 66.41 64.11 2og2 h THR 117 Cb 1.21 1.64 0.07 0.00 -1.73 0.00 0.00 68.15 69.34 2og2 h THR 117 CO 0.56 0.00 0.38 -1.61 -0.25 0.00 0.00 175.52 174.60 2og2 s GLU 118 N -3.17 3.27 0.09 4.72 2.02 -1.26 -4.43 118.70 119.94 2og2 s GLU 118 Ca 0.08 1.17 -0.31 0.00 0.02 0.00 0.00 54.97 55.93 2og2 s GLU 118 Cb 0.09 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 2og2 s GLU 118 CO 0.65 -0.84 1.54 -0.51 0.02 0.00 0.00 175.26 176.12 2og2 s LEU 119 N -4.63 4.36 -0.79 1.80 1.43 -1.26 -4.97 118.68 114.61 2og2 s LEU 119 Ca 0.63 2.43 -0.14 0.00 -1.03 0.00 0.00 54.13 56.03 2og2 s LEU 119 Cb -0.16 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.70 2og2 s LEU 119 CO 0.39 -0.80 0.73 -1.10 0.23 0.00 0.00 176.35 175.80 2og2 s GLN 120 N 1.91 3.50 0.00 1.70 -1.52 -1.26 -4.88 119.66 119.12 2og2 s GLN 120 Ca 0.70 -2.40 0.22 0.00 -1.95 0.00 0.00 55.36 51.93 2og2 s GLN 120 Cb -0.39 -4.38 -0.11 0.00 -0.22 0.00 0.00 33.01 27.90 2og2 s GLN 120 CO 0.31 -1.29 0.92 1.28 -0.25 0.00 0.00 175.29 176.26 2og2 n LEU 121 N 4.07 0.73 0.00 2.90 4.77 -1.26 -4.78 117.00 123.43 2og2 n LEU 121 Ca 0.11 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2og2 n LEU 121 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2og2 n LEU 121 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2og2 n GLY 122 N 1.44 0.71 0.00 -0.72 0.00 -1.26 -4.54 105.19 100.81 2og2 n GLY 122 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2og2 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2og2 n PHE 123 N 2.91 0.00 -1.85 1.61 3.72 -1.26 -5.05 117.46 117.54 2og2 n PHE 123 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2og2 n PHE 123 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2og2 n PHE 123 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2og2 s ARG 124 N -1.59 4.17 -0.02 -1.08 0.52 -1.26 -5.01 118.95 114.69 2og2 s ARG 124 Ca 0.00 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 2og2 s ARG 124 Cb 0.00 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 2og2 s ARG 124 CO 0.00 -0.62 0.04 0.15 0.02 0.00 0.00 175.30 174.89 2og2 s LYS 125 N 0.43 2.94 0.26 3.54 -0.14 -1.26 -3.59 119.74 121.91 2og2 s LYS 125 Ca 0.67 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 54.64 2og2 s LYS 125 Cb -0.46 -2.77 -0.08 0.00 -1.68 0.00 0.00 37.83 32.84 2og2 s LYS 125 CO 0.38 0.65 0.62 -1.25 -0.76 0.00 0.00 175.35 174.99 2og2 s PRO 126 N -1.54 3.89 0.43 -1.68 0.05 -1.26 -4.93 135.00 129.95 2og2 s PRO 126 Ca 0.20 0.43 -0.24 0.00 0.05 0.00 0.00 61.00 61.44 2og2 s PRO 126 Cb -0.12 -2.59 -0.08 0.00 0.05 0.00 0.00 34.50 31.77 2og2 s PRO 126 CO 0.11 0.27 1.14 0.00 0.05 0.00 0.00 177.00 178.56 2og2 s ALA 127 N -1.86 3.06 -0.15 8.56 0.00 0.35 -4.89 121.76 126.83 2og2 s ALA 127 Ca 0.49 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2og2 s ALA 127 Cb -0.11 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2og2 s ALA 127 CO 0.20 -0.51 -0.17 0.08 0.00 0.00 0.00 175.76 175.36 2og2 s VAL 128 N -1.53 1.79 -0.19 0.00 1.01 -1.26 -0.68 120.40 119.53 2og2 s VAL 128 Ca 0.60 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2og2 s VAL 128 Cb -0.28 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2og2 s VAL 128 CO 0.34 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 175.17 2og2 s ILE 129 N 1.23 2.68 -0.08 2.22 1.01 -0.53 -0.29 121.20 127.45 2og2 s ILE 129 Ca 0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 2og2 s ILE 129 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2og2 s ILE 129 CO -0.08 0.49 0.18 -0.04 0.00 0.00 0.00 174.94 175.49 2og2 s MET 130 N 1.24 3.49 -0.13 2.79 -1.94 -0.20 -0.03 119.30 124.52 2og2 s MET 130 Ca 0.03 -0.12 0.03 0.00 -1.71 0.00 0.00 55.69 53.92 2og2 s MET 130 Cb -0.14 -3.16 0.01 0.00 2.01 0.00 0.00 34.83 33.55 2og2 s MET 130 CO -0.06 0.74 -0.22 0.42 -0.01 0.00 0.00 175.02 175.89 2og2 s ILE 131 N -1.12 2.02 0.20 2.53 1.01 -0.47 -0.83 121.20 124.54 2og2 s ILE 131 Ca 0.19 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2og2 s ILE 131 Cb -0.13 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2og2 s ILE 131 CO 0.09 0.54 -0.08 0.68 0.00 0.00 0.00 174.94 176.17 2og2 s VAL 132 N 0.74 1.31 0.00 2.92 -7.23 -0.49 -3.12 120.40 114.53 2og2 s VAL 132 Ca -0.09 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2og2 s VAL 132 Cb -0.16 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2og2 s VAL 132 CO 0.00 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 2og2 n GLY 133 N -0.35 3.02 3.99 2.32 0.00 -1.26 -1.16 105.19 111.75 2og2 n GLY 133 Ca -0.08 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 2og2 n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2og2 s VAL 134 N -2.00 2.94 0.40 1.61 -7.23 -1.26 -4.42 120.40 110.43 2og2 s VAL 134 Ca 0.00 -0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 59.10 2og2 s VAL 134 Cb 0.00 -3.05 -0.11 0.00 0.56 0.00 0.00 36.38 33.79 2og2 s VAL 134 CO 0.00 -0.03 1.20 0.59 -0.31 0.00 0.00 175.10 176.55 2og2 n ASN 135 N -2.10 2.22 0.00 4.85 3.02 0.64 -2.83 115.26 121.07 2og2 n ASN 135 Ca 0.07 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 2og2 n ASN 135 Cb 0.59 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 2og2 n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2og2 n GLY 136 N 0.91 0.96 0.09 7.41 0.00 -1.26 -4.92 105.19 108.39 2og2 n GLY 136 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2og2 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2og2 n GLY 137 N -2.00 -1.03 2.06 -0.02 0.00 -1.13 -4.65 105.19 98.42 2og2 n GLY 137 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2og2 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2og2 n GLY 138 N 1.41 0.24 0.39 -0.02 0.00 -1.26 -4.27 105.19 101.68 2og2 n GLY 138 Ca 0.09 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2og2 n GLY 138 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2og2 h LYS 139 N -0.00 -0.75 -0.35 1.61 3.64 -1.90 0.16 116.57 118.98 2og2 h LYS 139 Ca -0.08 0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 2og2 h LYS 139 Cb 1.06 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2og2 h LYS 139 CO 0.09 -0.50 -0.39 1.15 -2.27 0.00 0.00 179.45 177.53 2og2 h THR 140 N -0.78 1.28 -0.57 1.00 2.02 -1.95 -2.29 112.91 111.62 2og2 h THR 140 Ca -0.03 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2og2 h THR 140 Cb 0.69 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2og2 h THR 140 CO -0.04 0.52 0.37 0.74 0.37 0.00 0.00 175.52 177.48 2og2 h THR 141 N 0.67 1.15 -0.56 3.16 2.02 -1.97 -2.02 112.91 115.36 2og2 h THR 141 Ca 0.05 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2og2 h THR 141 Cb 0.98 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2og2 h THR 141 CO 0.09 0.15 0.22 0.28 0.37 0.00 0.00 175.52 176.62 2og2 h SER 142 N 0.77 0.75 -0.46 4.18 0.02 -0.59 -1.19 113.55 117.02 2og2 h SER 142 Ca 0.21 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2og2 h SER 142 Cb -0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2og2 h SER 142 CO -0.04 0.68 0.19 0.25 -1.14 0.00 0.00 176.83 176.77 2og2 h LEU 143 N 0.81 0.63 -0.51 5.07 6.46 -1.02 0.84 115.31 127.59 2og2 h LEU 143 Ca 0.19 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2og2 h LEU 143 Cb 0.17 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2og2 h LEU 143 CO -0.02 0.62 0.34 1.23 -0.62 0.00 0.00 178.44 179.99 2og2 h GLY 144 N 0.61 0.72 1.87 3.75 0.00 -0.93 -0.49 103.07 108.59 2og2 h GLY 144 Ca 0.16 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2og2 h GLY 144 CO -0.01 0.26 -0.35 0.50 0.00 0.00 0.00 176.54 176.94 2og2 h LYS 145 N 0.69 0.15 -0.24 4.80 1.57 -0.92 -1.33 116.57 121.30 2og2 h LYS 145 Ca 0.19 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 2og2 h LYS 145 Cb -0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2og2 h LYS 145 CO -0.04 0.49 -0.38 1.25 -0.57 0.00 0.00 179.45 180.20 2og2 h LEU 146 N 0.14 0.74 -0.70 2.94 5.85 -0.41 -1.92 115.31 121.95 2og2 h LEU 146 Ca 0.02 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.26 2og2 h LEU 146 Cb 0.68 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2og2 h LEU 146 CO 0.05 1.12 0.43 0.00 -0.34 0.00 0.00 178.44 179.70 2og2 h ALA 147 N 0.64 0.93 -0.85 1.25 0.00 -0.83 0.76 119.26 121.16 2og2 h ALA 147 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2og2 h ALA 147 Cb 0.97 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2og2 h ALA 147 CO 0.09 0.17 0.53 1.25 0.00 0.00 0.00 179.25 181.29 2og2 h HIS 148 N 0.82 1.11 -0.10 0.00 -0.00 -1.17 -0.56 115.15 115.25 2og2 h HIS 148 Ca 0.29 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 2og2 h HIS 148 Cb 0.08 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.12 2og2 h HIS 148 CO -0.05 0.73 0.02 -0.09 -0.00 0.00 0.00 177.93 178.54 2og2 h ARG 149 N 1.17 0.17 -0.66 5.26 2.43 -0.51 -2.43 114.38 119.81 2og2 h ARG 149 Ca 0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2og2 h ARG 149 Cb -0.07 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2og2 h ARG 149 CO -0.06 0.37 0.37 -0.07 -1.51 0.00 0.00 179.97 179.07 2og2 h LEU 150 N -0.06 0.81 -0.89 3.80 3.38 -0.66 -2.45 115.31 119.24 2og2 h LEU 150 Ca 0.03 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2og2 h LEU 150 Cb 0.28 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2og2 h LEU 150 CO 0.00 0.67 0.57 0.11 0.09 0.00 0.00 178.44 179.87 2og2 h LYS 151 N 0.89 1.04 -1.00 1.13 1.79 -1.10 -1.72 116.57 117.60 2og2 h LYS 151 Ca 0.23 -0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.80 2og2 h LYS 151 Cb 0.03 -0.23 -0.10 0.00 -1.58 0.00 0.00 32.23 30.34 2og2 h LYS 151 CO -0.04 0.69 0.62 -0.91 -1.08 0.00 0.00 179.45 178.73 2og2 h ASN 152 N 1.07 0.84 -0.04 0.86 -0.26 -0.94 0.26 115.58 117.37 2og2 h ASN 152 Ca 0.37 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 2og2 h ASN 152 Cb 0.08 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2og2 h ASN 152 CO -0.14 0.36 0.00 -0.62 -1.06 0.00 0.00 177.43 175.97 2og2 n GLU 153 N -4.71 1.25 -0.99 0.81 1.02 -0.82 -4.87 120.64 112.34 2og2 n GLU 153 Ca 0.22 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2og2 n GLU 153 Cb 0.49 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2og2 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2og2 n GLY 154 N 0.95 0.90 3.76 0.62 0.00 0.08 -5.06 105.19 106.45 2og2 n GLY 154 Ca 0.17 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2og2 n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2og2 s THR 155 N -2.00 4.82 -0.49 2.61 2.01 -0.71 -5.00 115.64 116.87 2og2 s THR 155 Ca 0.00 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.08 2og2 s THR 155 Cb 0.00 -3.99 0.03 0.00 0.01 0.00 0.00 72.50 68.55 2og2 s THR 155 CO 0.00 0.42 1.11 -0.54 -0.69 0.00 0.00 174.62 174.92 2og2 s LYS 156 N -0.29 3.66 -0.15 4.92 -0.14 -1.26 -4.30 119.74 122.18 2og2 s LYS 156 Ca 0.33 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 2og2 s LYS 156 Cb -0.19 -3.93 -0.00 0.00 -1.68 0.00 0.00 37.83 32.03 2og2 s LYS 156 CO 0.19 -1.40 -0.15 0.08 -0.76 0.00 0.00 175.35 173.31 2og2 s VAL 157 N 4.42 2.69 -0.21 3.17 1.01 -1.26 -1.52 120.40 128.70 2og2 s VAL 157 Ca 0.45 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2og2 s VAL 157 Cb -0.08 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2og2 s VAL 157 CO 0.30 0.52 0.10 -0.22 0.00 0.00 0.00 175.10 175.80 2og2 s LEU 158 N 0.73 3.88 0.14 3.92 2.96 -0.14 -3.96 118.68 126.21 2og2 s LEU 158 Ca -0.07 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 2og2 s LEU 158 Cb -0.16 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.45 2og2 s LEU 158 CO 0.01 0.12 0.60 -0.04 -1.32 0.00 0.00 176.35 175.72 2og2 s MET 159 N 0.73 4.11 -0.18 1.98 -1.94 -0.12 -0.50 119.30 123.39 2og2 s MET 159 Ca 0.05 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 2og2 s MET 159 Cb -0.13 -3.01 0.04 0.00 2.01 0.00 0.00 34.83 33.74 2og2 s MET 159 CO 0.02 0.51 -0.09 0.00 -0.01 0.00 0.00 175.02 175.45 2og2 s ALA 160 N -1.37 1.79 -1.29 3.03 0.00 0.51 -0.45 121.76 123.98 2og2 s ALA 160 Ca 0.36 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 2og2 s ALA 160 Cb -0.17 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.88 2og2 s ALA 160 CO 0.20 -0.75 1.72 0.00 0.00 0.00 0.00 175.76 176.92 2og2 n ALA 161 N 4.77 4.23 -0.02 0.00 0.00 0.12 -0.68 120.51 128.93 2og2 n ALA 161 Ca -0.14 -4.08 0.09 0.00 0.00 0.00 0.00 53.44 49.31 2og2 n ALA 161 Cb 0.47 -3.29 0.28 0.00 0.00 0.00 0.00 19.45 16.91 2og2 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2og2 n GLY 162 N 4.32 1.97 3.53 0.00 0.00 -1.06 -4.31 105.19 109.63 2og2 n GLY 162 Ca 0.43 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2og2 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2og2 s ASP 163 N -0.92 6.71 0.10 1.61 -1.08 -1.24 -3.15 116.67 118.69 2og2 s ASP 163 Ca 0.41 -2.10 0.25 0.00 -0.52 0.00 0.00 52.55 50.58 2og2 s ASP 163 Cb 0.23 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.62 2og2 s ASP 163 CO 0.24 -1.19 1.39 0.35 0.52 0.00 0.00 175.17 176.48 2og2 n THR 164 N 6.08 0.29 0.03 1.71 -2.24 -1.26 -3.69 114.28 115.20 2og2 n THR 164 Ca 0.36 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.77 2og2 n THR 164 Cb 0.48 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.56 2og2 n THR 164 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2og2 h PHE 165 N 0.00 0.83 -3.45 4.78 3.04 -1.89 -3.43 116.94 116.81 2og2 h PHE 165 Ca 0.00 -0.41 -0.71 0.00 3.98 0.00 0.00 57.97 60.83 2og2 h PHE 165 Cb 0.69 -0.11 -0.31 0.00 2.56 0.00 0.00 35.95 38.78 2og2 h PHE 165 CO 0.00 1.23 -0.50 1.03 -2.02 0.00 0.00 178.31 178.05 2og2 s ARG 166 N -3.47 2.34 0.29 1.11 0.52 -1.24 -4.96 118.95 113.54 2og2 s ARG 166 Ca -0.08 -1.65 0.01 0.00 -0.52 0.00 0.00 55.73 53.49 2og2 s ARG 166 Cb 0.09 -3.69 0.54 0.00 0.52 0.00 0.00 34.95 32.41 2og2 s ARG 166 CO 0.89 -1.03 1.88 0.00 0.02 0.00 0.00 175.30 177.06 2og2 h ALA 167 N 8.25 1.53 -0.04 2.13 0.00 -1.82 -1.77 119.26 127.53 2og2 h ALA 167 Ca -0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2og2 h ALA 167 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2og2 h ALA 167 CO 0.74 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 180.13 2og2 h ALA 168 N 1.52 1.67 -0.32 0.00 0.00 -1.94 -2.15 119.26 118.03 2og2 h ALA 168 Ca 0.44 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2og2 h ALA 168 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2og2 h ALA 168 CO -0.19 0.25 -0.29 0.00 0.00 0.00 0.00 179.25 179.02 2og2 h ALA 169 N 1.78 0.46 -0.61 0.00 0.00 -1.67 -0.62 119.26 118.61 2og2 h ALA 169 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2og2 h ALA 169 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2og2 h ALA 169 CO 0.02 0.48 0.23 1.03 0.00 0.00 0.00 179.25 181.01 2og2 h SER 170 N 0.52 0.86 -0.32 0.00 0.87 -1.24 -0.34 113.55 113.91 2og2 h SER 170 Ca 0.05 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2og2 h SER 170 Cb 0.86 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2og2 h SER 170 CO 0.07 0.81 0.05 0.44 -0.53 0.00 0.00 176.83 177.68 2og2 h ASP 171 N 0.86 0.50 -0.87 6.23 3.32 -1.37 -2.22 116.42 122.88 2og2 h ASP 171 Ca 0.20 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.08 2og2 h ASP 171 Cb 0.23 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 2og2 h ASP 171 CO -0.01 0.63 0.52 -0.61 -1.72 0.00 0.00 179.24 178.05 2og2 h GLN 172 N 0.35 0.87 -0.65 3.56 5.75 -0.84 -2.41 115.11 121.74 2og2 h GLN 172 Ca 0.10 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 2og2 h GLN 172 Cb 0.34 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 2og2 h GLN 172 CO 0.01 0.57 0.14 1.25 -2.65 0.00 0.00 178.83 178.15 2og2 h LEU 173 N 0.89 1.00 -1.10 -2.39 5.85 -0.78 -0.43 115.31 118.36 2og2 h LEU 173 Ca 0.41 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2og2 h LEU 173 Cb 0.31 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2og2 h LEU 173 CO -0.22 0.99 0.61 -0.33 -0.34 0.00 0.00 178.44 179.14 2og2 h GLU 174 N 0.97 1.04 -0.28 1.25 5.08 -0.98 0.41 114.58 122.06 2og2 h GLU 174 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2og2 h GLU 174 Cb 0.39 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2og2 h GLU 174 CO 0.01 0.69 0.12 0.82 -1.00 0.00 0.00 179.01 179.65 2og2 h ILE 175 N 1.07 1.16 -0.80 3.13 2.04 -0.92 -1.17 117.51 122.02 2og2 h ILE 175 Ca 0.41 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2og2 h ILE 175 Cb 0.21 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2og2 h ILE 175 CO -0.16 0.17 0.49 -0.50 0.00 0.00 0.00 178.15 178.14 2og2 h TRP 176 N 0.31 0.90 -0.58 1.37 4.06 0.07 0.78 115.95 122.87 2og2 h TRP 176 Ca 0.10 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.06 2og2 h TRP 176 Cb 0.15 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 2og2 h TRP 176 CO -0.01 0.47 0.31 0.00 -3.56 0.00 0.00 178.44 175.64 2og2 h ALA 177 N 1.37 0.74 -0.38 1.49 0.00 -0.00 -0.34 119.26 122.15 2og2 h ALA 177 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2og2 h ALA 177 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2og2 h ALA 177 CO -0.16 0.28 0.25 1.49 0.00 0.00 0.00 179.25 181.10 2og2 h GLU 178 N 0.78 0.50 -0.24 0.00 4.57 -0.68 -0.01 114.58 119.50 2og2 h GLU 178 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2og2 h GLU 178 Cb 0.07 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2og2 h GLU 178 CO -0.03 0.34 0.16 0.00 -1.18 0.00 0.00 179.01 178.29 2og2 h ARG 179 N 0.51 0.33 0.00 1.92 3.08 -0.39 -3.22 114.38 116.60 2og2 h ARG 179 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2og2 h ARG 179 Cb -0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2og2 h ARG 179 CO -0.03 0.23 -0.80 1.79 -1.07 0.00 0.00 179.97 180.10 2og2 h THR 180 N 0.32 0.00 0.00 2.04 1.35 -1.06 -3.48 112.91 112.08 2og2 h THR 180 Ca 0.09 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2og2 h THR 180 Cb -0.02 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2og2 h THR 180 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 2og2 n GLY 181 N 1.19 1.15 3.94 5.82 0.00 -0.16 -4.97 105.19 112.16 2og2 n GLY 181 Ca 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 2og2 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2og2 s GLU 183 N -3.35 4.04 -0.03 0.00 8.01 -1.25 -4.52 118.70 121.60 2og2 s GLU 183 Ca 0.37 0.89 0.01 0.00 0.01 0.00 0.00 54.97 56.25 2og2 s GLU 183 Cb -0.11 -2.24 0.02 0.00 -4.31 0.00 0.00 34.13 27.48 2og2 s GLU 183 CO 0.29 -0.07 -0.04 -1.50 0.01 0.00 0.00 175.26 173.95 2og2 s ILE 184 N -2.30 0.44 -0.24 -1.63 2.07 -1.26 -0.94 121.20 117.34 2og2 s ILE 184 Ca 0.58 -0.11 -0.19 0.00 -1.41 0.00 0.00 60.65 59.52 2og2 s ILE 184 Cb -0.10 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 2og2 s ILE 184 CO 0.22 0.18 0.57 -0.69 -1.91 0.00 0.00 174.94 173.31 2og2 s VAL 185 N 0.67 5.04 0.20 4.00 1.01 0.41 -4.97 120.40 126.76 2og2 s VAL 185 Ca -0.08 1.01 0.08 0.00 0.00 0.00 0.00 61.98 62.99 2og2 s VAL 185 Cb -0.11 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2og2 s VAL 185 CO -0.00 0.08 -0.00 -0.69 0.00 0.00 0.00 175.10 174.49 2og2 s VAL 186 N 2.21 3.63 0.42 2.92 1.01 -1.26 -0.70 120.40 128.63 2og2 s VAL 186 Ca 0.24 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 2og2 s VAL 186 Cb -0.16 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 2og2 s VAL 186 CO 0.09 -0.19 1.04 0.00 0.00 0.00 0.00 175.10 176.04 2og2 s ALA 187 N -1.89 3.04 -0.54 5.51 0.00 -1.26 -4.98 121.76 121.64 2og2 s ALA 187 Ca 0.28 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 2og2 s ALA 187 Cb -0.08 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.86 2og2 s ALA 187 CO 0.19 -0.19 0.65 -1.21 0.00 0.00 0.00 175.76 175.20 2og2 s GLU 188 N -2.69 3.09 0.00 0.00 2.02 -1.26 -4.95 118.70 114.91 2og2 s GLU 188 Ca 0.60 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2og2 s GLU 188 Cb -0.20 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2og2 s GLU 188 CO 0.25 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.60 2og2 n GLY 189 N 5.21 1.49 0.06 -1.39 0.00 -1.26 -4.58 105.19 104.72 2og2 n GLY 189 Ca -0.08 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.02 2og2 n GLY 189 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2og2 h ASP 190 N 0.00 0.00 -1.94 1.61 3.45 -1.94 -3.37 116.42 114.23 2og2 h ASP 190 Ca 0.00 -0.22 -0.61 0.00 0.43 0.00 0.00 57.03 56.62 2og2 h ASP 190 Cb 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.37 2og2 h ASP 190 CO 0.00 0.11 -0.48 2.29 -1.57 0.00 0.00 179.24 179.59 2og2 n LYS 191 N -2.13 3.43 -3.16 3.56 2.85 -1.26 -4.88 118.16 116.57 2og2 n LYS 191 Ca 0.03 -4.63 -0.31 0.00 -1.05 0.00 0.00 58.31 52.36 2og2 n LYS 191 Cb 0.45 -2.26 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 2og2 n LYS 191 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2og2 s ALA 192 N -3.59 3.46 -0.09 0.58 0.00 -1.26 -5.06 121.76 115.81 2og2 s ALA 192 Ca 0.48 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 2og2 s ALA 192 Cb 0.34 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2og2 s ALA 192 CO -0.18 0.24 0.85 0.15 0.00 0.00 0.00 175.76 176.82 2og2 s LYS 193 N -3.37 4.42 0.14 0.00 1.02 -1.26 -4.85 119.74 115.83 2og2 s LYS 193 Ca 0.49 1.12 -0.19 0.00 0.02 0.00 0.00 55.97 57.41 2og2 s LYS 193 Cb -0.11 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 2og2 s LYS 193 CO 0.26 -0.14 1.71 0.00 -0.92 0.00 0.00 175.35 176.26 2og2 h ALA 194 N 7.01 0.21 -0.81 5.17 0.00 -1.96 -1.60 119.26 127.27 2og2 h ALA 194 Ca -0.36 0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.78 2og2 h ALA 194 Cb 1.17 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2og2 h ALA 194 CO 0.79 -0.43 0.53 0.00 0.00 0.00 0.00 179.25 180.15 2og2 h ALA 195 N 1.21 2.04 -0.04 0.00 0.00 -1.88 -0.10 119.26 120.49 2og2 h ALA 195 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2og2 h ALA 195 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2og2 h ALA 195 CO -0.20 -0.26 -0.04 1.15 0.00 0.00 0.00 179.25 179.91 2og2 h THR 196 N 0.50 1.36 -0.52 0.00 2.02 -1.72 -1.63 112.91 112.93 2og2 h THR 196 Ca 0.40 -1.14 0.06 0.00 0.77 0.00 0.00 66.41 66.49 2og2 h THR 196 Cb 0.83 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 2og2 h THR 196 CO -0.15 0.31 0.24 0.58 0.37 0.00 0.00 175.52 176.87 2og2 h VAL 197 N -0.33 0.90 -0.24 3.16 2.07 -0.47 -1.73 116.25 119.61 2og2 h VAL 197 Ca 0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2og2 h VAL 197 Cb 0.52 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2og2 h VAL 197 CO 0.01 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.69 2og2 h LEU 198 N 0.46 0.34 -0.42 2.57 4.07 -1.06 -1.39 115.31 119.88 2og2 h LEU 198 Ca 0.24 -0.19 0.08 0.00 0.08 0.00 0.00 57.88 58.09 2og2 h LEU 198 Cb 0.19 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.76 2og2 h LEU 198 CO -0.20 0.44 -0.11 -1.28 -1.08 0.00 0.00 178.44 176.21 2og2 h SER 199 N 0.22 -0.40 -0.78 -0.43 0.87 -1.10 -0.33 113.55 111.59 2og2 h SER 199 Ca 0.08 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2og2 h SER 199 Cb 0.22 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 2og2 h SER 199 CO -0.00 -0.14 0.47 0.50 -0.53 0.00 0.00 176.83 177.12 2og2 h LYS 200 N -0.01 1.08 -0.27 2.24 3.64 -1.13 -1.14 116.57 120.97 2og2 h LYS 200 Ca 0.20 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2og2 h LYS 200 Cb 0.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2og2 h LYS 200 CO -0.44 0.76 0.01 0.00 -2.27 0.00 0.00 179.45 177.51 2og2 h ALA 201 N 1.42 0.36 -0.13 5.00 0.00 -0.29 -2.23 119.26 123.40 2og2 h ALA 201 Ca 0.28 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2og2 h ALA 201 Cb -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2og2 h ALA 201 CO -0.05 0.09 -0.54 0.28 0.00 0.00 0.00 179.25 179.02 2og2 h VAL 202 N 0.26 1.34 -0.60 0.00 2.07 -0.88 0.18 116.25 118.62 2og2 h VAL 202 Ca 0.08 -1.82 0.12 0.00 0.82 0.00 0.00 66.70 65.89 2og2 h VAL 202 Cb 0.40 2.10 -0.12 0.00 -1.52 0.00 0.00 31.29 32.16 2og2 h VAL 202 CO 0.01 0.56 -0.20 0.50 0.02 0.00 0.00 177.57 178.46 2og2 h LYS 203 N 0.23 -0.05 -0.43 1.57 3.64 -1.27 -0.52 116.57 119.74 2og2 h LYS 203 Ca -0.03 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2og2 h LYS 203 Cb 1.18 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2og2 h LYS 203 CO 0.11 -0.03 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.16 2og2 h ARG 204 N -0.05 0.77 -0.82 1.90 2.43 -1.09 -1.72 114.38 115.80 2og2 h ARG 204 Ca 0.28 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2og2 h ARG 204 Cb 0.48 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2og2 h ARG 204 CO -0.64 0.85 0.53 0.78 -1.51 0.00 0.00 179.97 179.98 2og2 h GLY 205 N 0.61 1.18 0.85 2.80 0.00 -0.19 0.15 103.07 108.46 2og2 h GLY 205 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2og2 h GLY 205 CO 0.03 0.37 0.04 1.70 0.00 0.00 0.00 176.54 178.67 2og2 h LYS 206 N 1.05 0.18 -0.49 4.80 3.64 -0.99 0.76 116.57 125.53 2og2 h LYS 206 Ca 0.32 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2og2 h LYS 206 Cb -0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2og2 h LYS 206 CO -0.10 0.32 -0.07 0.93 -2.27 0.00 0.00 179.45 178.26 2og2 h GLU 207 N 0.01 0.87 -0.64 1.90 5.08 -0.95 -3.14 114.58 117.71 2og2 h GLU 207 Ca 0.04 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2og2 h GLU 207 Cb 0.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2og2 h GLU 207 CO -0.00 0.91 0.00 0.39 -1.00 0.00 0.00 179.01 179.31 2og2 n GLU 208 N -4.17 3.48 -2.88 2.33 1.02 0.01 -4.94 120.64 115.48 2og2 n GLU 208 Ca 0.02 -2.53 -0.16 0.00 -0.02 0.00 0.00 57.16 54.47 2og2 n GLU 208 Cb 0.36 -1.85 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 2og2 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2og2 n GLY 209 N 1.01 -0.14 3.76 0.62 0.00 -0.97 -5.00 105.19 104.46 2og2 n GLY 209 Ca 0.23 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2og2 n GLY 209 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2og2 s TYR 210 N -3.03 3.65 0.08 1.61 1.51 0.22 -4.97 117.35 116.42 2og2 s TYR 210 Ca 0.25 1.76 -0.18 0.00 -1.01 0.00 0.00 57.07 57.88 2og2 s TYR 210 Cb -0.11 -3.16 -0.09 0.00 -0.11 0.00 0.00 41.96 38.48 2og2 s TYR 210 CO 0.31 -0.25 1.48 -0.44 -1.11 0.00 0.00 175.55 175.54 2og2 h ASP 211 N 3.70 0.46 -3.65 2.29 3.32 -1.59 -3.36 116.42 117.58 2og2 h ASP 211 Ca -0.46 -0.36 -0.25 0.00 0.02 0.00 0.00 57.03 55.98 2og2 h ASP 211 Cb 1.21 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.33 2og2 h ASP 211 CO 0.66 0.71 -0.70 -0.69 -1.72 0.00 0.00 179.24 177.50 2og2 s VAL 212 N -4.80 -0.02 -0.31 -1.35 1.01 -0.61 -0.50 120.40 113.82 2og2 s VAL 212 Ca -0.14 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2og2 s VAL 212 Cb 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.41 2og2 s VAL 212 CO 0.76 0.03 0.09 -0.69 0.00 0.00 0.00 175.10 175.29 2og2 s VAL 213 N 0.40 3.98 -0.40 2.92 1.01 0.14 -0.97 120.40 127.48 2og2 s VAL 213 Ca -0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2og2 s VAL 213 Cb -0.05 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.25 2og2 s VAL 213 CO -0.01 0.02 0.57 -0.76 0.00 0.00 0.00 175.10 174.92 2og2 s LEU 214 N 1.49 4.48 -0.24 3.92 1.43 0.34 -1.45 118.68 128.65 2og2 s LEU 214 Ca 0.02 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2og2 s LEU 214 Cb -0.18 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2og2 s LEU 214 CO 0.03 -0.62 0.07 0.00 0.23 0.00 0.00 176.35 176.05 2og2 s ASP 216 N 1.37 6.29 0.26 0.00 -1.08 0.14 -1.37 116.67 122.27 2og2 s ASP 216 Ca 0.05 0.99 0.02 0.00 -0.52 0.00 0.00 52.55 53.09 2og2 s ASP 216 Cb -0.15 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2og2 s ASP 216 CO 0.04 -0.58 0.14 0.42 0.52 0.00 0.00 175.17 175.71 2og2 s THR 217 N -2.74 0.26 0.31 1.71 -4.23 -1.18 -2.56 115.64 107.21 2og2 s THR 217 Ca 0.48 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 2og2 s THR 217 Cb -0.10 -2.54 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 2og2 s THR 217 CO 0.44 0.00 1.37 -0.44 -0.54 0.00 0.00 174.62 175.45 2og2 s SER 218 N -3.29 6.68 -0.21 3.99 0.01 -1.19 -4.00 113.70 115.69 2og2 s SER 218 Ca 0.38 2.73 -0.09 0.00 1.31 0.00 0.00 55.95 60.28 2og2 s SER 218 Cb 0.06 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2og2 s SER 218 CO 0.16 -0.63 0.10 -0.83 0.41 0.00 0.00 173.24 172.45 2og2 s GLY 219 N -0.17 1.93 0.22 3.44 0.00 -1.26 -4.73 107.32 106.75 2og2 s GLY 219 Ca 0.53 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 44.48 2og2 s GLY 219 CO 0.51 0.25 -0.14 0.50 0.00 0.00 0.00 173.10 174.23 2og2 s ARG 220 N 0.79 1.39 0.18 2.90 0.52 -1.26 -4.67 118.95 118.80 2og2 s ARG 220 Ca 0.05 -1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 53.50 2og2 s ARG 220 Cb -0.13 -1.18 0.12 0.00 0.52 0.00 0.00 34.95 34.28 2og2 s ARG 220 CO 0.02 0.18 1.81 1.25 0.02 0.00 0.00 175.30 178.58 2og2 h LEU 221 N 2.49 0.49 -7.65 2.53 5.85 -1.95 0.18 115.31 117.26 2og2 h LEU 221 Ca -0.38 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 2og2 h LEU 221 Cb 1.23 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 42.02 2og2 h LEU 221 CO 0.63 0.34 -0.27 -1.38 -0.34 0.00 0.00 178.44 177.42 2og2 s HIS 222 N -6.13 0.01 0.63 1.25 -3.43 -1.26 -4.36 115.29 102.00 2og2 s HIS 222 Ca -0.13 -0.33 -0.18 0.00 -0.80 0.00 0.00 55.06 53.62 2og2 s HIS 222 Cb 0.13 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 2og2 s HIS 222 CO 0.74 -0.57 0.88 0.25 -2.00 0.00 0.00 174.74 174.04 2og2 n THR 223 N 0.08 3.31 -3.82 -5.38 -2.24 -1.26 -5.00 114.28 99.97 2og2 n THR 223 Ca -0.16 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.08 2og2 n THR 223 Cb 0.62 -1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2og2 n THR 223 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2og2 s ASN 224 N -1.34 -0.13 0.22 3.42 2.20 -1.26 -5.03 114.94 113.02 2og2 s ASN 224 Ca 0.74 -0.73 -0.08 0.00 -0.94 0.00 0.00 52.86 51.86 2og2 s ASN 224 Cb -0.40 0.68 0.31 0.00 -2.00 0.00 0.00 41.25 39.84 2og2 s ASN 224 CO 0.49 -1.30 1.78 0.10 -2.94 0.00 0.00 177.10 175.23 2og2 h TYR 225 N 2.00 0.64 -0.10 1.54 -0.00 -2.00 -2.30 116.97 116.75 2og2 h TYR 225 Ca -0.25 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.51 2og2 h TYR 225 Cb 1.24 -0.18 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 2og2 h TYR 225 CO 0.81 0.25 0.06 1.03 -0.00 0.00 0.00 178.16 180.32 2og2 h SER 226 N 0.62 0.11 -0.32 0.10 0.87 -1.99 -1.25 113.55 111.69 2og2 h SER 226 Ca 0.34 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.95 2og2 h SER 226 Cb 0.32 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 2og2 h SER 226 CO -0.25 0.08 -0.06 0.25 -0.53 0.00 0.00 176.83 176.32 2og2 h LEU 227 N 0.13 -0.26 -0.28 2.23 5.85 -1.82 -0.81 115.31 120.35 2og2 h LEU 227 Ca 0.04 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2og2 h LEU 227 Cb -0.01 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2og2 h LEU 227 CO -0.01 -0.09 -0.11 0.24 -0.34 0.00 0.00 178.44 178.14 2og2 h MET 228 N 0.02 0.57 -0.70 1.25 2.86 -1.27 -0.83 114.93 116.82 2og2 h MET 228 Ca 0.15 -0.24 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2og2 h MET 228 Cb 0.23 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.78 2og2 h MET 228 CO -0.31 0.79 0.28 0.93 1.06 0.00 0.00 176.91 179.66 2og2 h GLU 229 N 0.32 0.43 -0.46 1.72 5.08 -1.08 -0.46 114.58 120.13 2og2 h GLU 229 Ca 0.07 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2og2 h GLU 229 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2og2 h GLU 229 CO 0.04 0.28 0.28 1.49 -1.00 0.00 0.00 179.01 180.10 2og2 h GLU 230 N 0.44 0.62 -0.63 2.33 4.81 -0.71 -1.16 114.58 120.29 2og2 h GLU 230 Ca 0.37 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 2og2 h GLU 230 Cb 0.52 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2og2 h GLU 230 CO -0.36 0.45 0.02 -0.07 -0.73 0.00 0.00 179.01 178.32 2og2 h LEU 231 N 0.61 1.06 -0.24 1.64 3.38 -0.47 -1.49 115.31 119.80 2og2 h LEU 231 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2og2 h LEU 231 Cb -0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2og2 h LEU 231 CO -0.03 1.10 0.16 0.40 0.09 0.00 0.00 178.44 180.15 2og2 h ILE 232 N 1.00 1.06 -0.55 1.22 2.04 -0.93 -1.93 117.51 119.42 2og2 h ILE 232 Ca 0.18 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2og2 h ILE 232 Cb 0.54 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2og2 h ILE 232 CO 0.03 0.06 0.37 0.00 0.00 0.00 0.00 178.15 178.60 2og2 h ALA 233 N 1.09 1.94 -0.18 1.87 0.00 -0.98 -1.92 119.26 121.08 2og2 h ALA 233 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2og2 h ALA 233 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2og2 h ALA 233 CO -0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.89 2og2 h LYS 235 N 0.17 0.25 -0.69 0.00 2.10 -1.15 -2.46 116.57 114.79 2og2 h LYS 235 Ca 0.01 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 2og2 h LYS 235 Cb 0.88 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.22 2og2 h LYS 235 CO 0.07 0.87 0.32 -0.22 -2.00 0.00 0.00 179.45 178.49 2og2 h LYS 236 N 0.17 1.00 -0.41 0.07 3.64 -1.36 -1.49 116.57 118.20 2og2 h LYS 236 Ca -0.02 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 2og2 h LYS 236 Cb 1.28 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2og2 h LYS 236 CO 0.11 0.80 -0.20 0.00 -2.27 0.00 0.00 179.45 177.89 2og2 h ALA 237 N 1.15 0.58 -0.21 5.00 0.00 -1.21 -2.33 119.26 122.24 2og2 h ALA 237 Ca 0.24 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2og2 h ALA 237 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2og2 h ALA 237 CO -0.03 0.55 -0.39 -0.39 0.00 0.00 0.00 179.25 179.00 2og2 h VAL 238 N 0.69 1.30 -0.22 0.00 -1.51 -1.35 -2.68 116.25 112.47 2og2 h VAL 238 Ca 0.09 -1.52 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 2og2 h VAL 238 Cb 0.77 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 2og2 h VAL 238 CO 0.06 0.48 -0.13 1.23 -1.23 0.00 0.00 177.57 177.98 2og2 h GLY 239 N 1.09 0.40 1.58 5.19 0.00 -1.19 -1.92 103.07 108.22 2og2 h GLY 239 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2og2 h GLY 239 CO 0.07 0.24 0.24 1.70 0.00 0.00 0.00 176.54 178.79 2og2 h LYS 240 N 0.35 0.56 0.08 4.80 1.63 -1.07 -3.27 116.57 119.65 2og2 h LYS 240 Ca 0.07 -0.05 -0.28 0.00 -0.85 0.00 0.00 60.65 59.54 2og2 h LYS 240 Cb 0.44 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2og2 h LYS 240 CO 0.03 0.41 -1.47 0.82 -3.45 0.00 0.00 179.45 175.78 2og2 h ILE 241 N 0.57 0.91 -3.32 2.00 2.04 -1.36 -3.46 117.51 114.90 2og2 h ILE 241 Ca 0.15 -2.31 -0.61 0.00 1.00 0.00 0.00 64.86 63.09 2og2 h ILE 241 Cb -0.00 2.52 -0.34 0.00 -0.74 0.00 0.00 36.82 38.26 2og2 h ILE 241 CO -0.03 0.62 -0.85 -0.69 0.00 0.00 0.00 178.15 177.21 2og2 s VAL 242 N -2.45 1.67 0.18 1.67 1.01 -0.78 -5.01 120.40 116.69 2og2 s VAL 242 Ca -0.23 -0.77 -0.32 0.00 0.00 0.00 0.00 61.98 60.66 2og2 s VAL 242 Cb 0.05 -1.49 -0.11 0.00 0.00 0.00 0.00 36.38 34.84 2og2 s VAL 242 CO 0.71 0.47 1.66 -0.55 0.00 0.00 0.00 175.10 177.39 2og2 s SER 243 N 0.67 6.48 0.00 3.32 0.15 -1.26 -2.19 113.70 120.88 2og2 s SER 243 Ca -0.13 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2og2 s SER 243 Cb -0.16 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2og2 s SER 243 CO 0.03 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2og2 n GLY 244 N 3.90 1.94 3.77 9.45 0.00 -1.26 -5.05 105.19 117.94 2og2 n GLY 244 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2og2 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2og2 s ALA 245 N -2.37 3.23 0.50 4.61 0.00 -0.93 -4.17 121.76 122.63 2og2 s ALA 245 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 2og2 s ALA 245 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2og2 s ALA 245 CO 0.00 -0.55 0.98 -2.14 0.00 0.00 0.00 175.76 174.06 2og2 s PRO 246 N -2.15 3.97 0.17 0.00 0.02 -1.26 -3.31 135.00 132.44 2og2 s PRO 246 Ca 0.55 1.02 -0.08 0.00 0.02 0.00 0.00 61.00 62.51 2og2 s PRO 246 Cb -0.33 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.10 2og2 s PRO 246 CO 0.42 -0.25 1.52 -0.91 -0.33 0.00 0.00 177.00 177.45 2og2 h ASN 247 N 1.14 0.88 -3.75 2.53 4.21 -0.81 -3.45 115.58 116.32 2og2 h ASN 247 Ca -0.47 -0.39 -0.25 0.00 1.21 0.00 0.00 56.30 56.40 2og2 h ASN 247 Cb 1.19 -0.25 -0.28 0.00 -1.12 0.00 0.00 38.32 37.86 2og2 h ASN 247 CO 0.61 1.15 -0.73 -1.61 -1.29 0.00 0.00 177.43 175.56 2og2 s GLU 248 N -4.38 0.06 -0.28 0.81 0.41 -1.11 -4.91 118.70 109.30 2og2 s GLU 248 Ca -0.10 -0.02 0.02 0.00 -0.41 0.00 0.00 54.97 54.46 2og2 s GLU 248 Cb 0.12 -0.07 0.08 0.00 -1.78 0.00 0.00 34.13 32.48 2og2 s GLU 248 CO 0.86 0.01 -0.00 0.42 -0.49 0.00 0.00 175.26 176.06 2og2 s ILE 249 N 0.02 1.68 -0.24 -1.63 1.01 -1.26 -1.04 121.20 119.74 2og2 s ILE 249 Ca -0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 58.95 2og2 s ILE 249 Cb -0.01 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 2og2 s ILE 249 CO -0.00 -0.33 0.15 -0.76 0.00 0.00 0.00 174.94 174.00 2og2 s LEU 250 N 1.27 4.06 -0.25 2.97 1.43 -0.01 -1.31 118.68 126.84 2og2 s LEU 250 Ca 0.01 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 2og2 s LEU 250 Cb -0.19 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2og2 s LEU 250 CO -0.10 0.06 0.34 -0.22 0.23 0.00 0.00 176.35 176.66 2og2 s LEU 251 N 1.08 4.07 -0.17 1.79 2.96 -0.03 -1.39 118.68 126.98 2og2 s LEU 251 Ca 0.07 0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 54.14 2og2 s LEU 251 Cb -0.14 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2og2 s LEU 251 CO 0.05 -0.12 0.32 -0.69 -1.32 0.00 0.00 176.35 174.59 2og2 s VAL 252 N 1.75 5.28 -0.03 1.68 1.01 -0.31 -0.84 120.40 128.94 2og2 s VAL 252 Ca 0.15 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.74 2og2 s VAL 252 Cb -0.15 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2og2 s VAL 252 CO 0.09 0.35 -0.08 -0.76 0.00 0.00 0.00 175.10 174.70 2og2 s LEU 253 N 0.71 1.67 -0.27 3.92 1.43 0.30 -4.45 118.68 122.00 2og2 s LEU 253 Ca 0.17 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 2og2 s LEU 253 Cb -0.14 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2og2 s LEU 253 CO 0.05 0.03 2.01 -0.62 0.23 0.00 0.00 176.35 178.06 2og2 s ASP 254 N 0.39 5.68 0.63 2.29 -1.08 -1.26 -0.87 116.67 122.45 2og2 s ASP 254 Ca -0.06 1.63 0.32 0.00 -0.52 0.00 0.00 52.55 53.92 2og2 s ASP 254 Cb -0.10 -2.52 1.76 0.00 -1.46 0.00 0.00 42.92 40.60 2og2 s ASP 254 CO 0.01 -1.82 2.06 1.23 0.52 0.00 0.00 175.17 177.16 2og2 h GLY 255 N 14.32 0.00 1.83 2.66 0.00 -1.02 -1.78 103.07 119.08 2og2 h GLY 255 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2og2 h GLY 255 CO 0.99 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.23 2og2 n ASN 256 N -3.36 0.00 0.00 0.19 3.02 -1.26 -2.50 115.26 111.35 2og2 n ASN 256 Ca 0.00 0.27 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 2og2 n ASN 256 Cb 0.34 -0.41 0.75 0.00 -0.61 0.00 0.00 39.78 39.85 2og2 n ASN 256 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2og2 n THR 257 N -1.41 0.03 -1.65 3.41 -2.24 -0.67 -4.98 114.28 106.77 2og2 n THR 257 Ca 0.08 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2og2 n THR 257 Cb 0.25 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2og2 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2og2 n GLY 258 N 1.20 2.42 0.28 3.38 0.00 -1.04 -1.48 105.19 109.96 2og2 n GLY 258 Ca 0.14 -0.23 0.19 0.00 0.00 0.00 0.00 46.02 46.12 2og2 n GLY 258 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2og2 h LEU 259 N 0.00 0.00 0.00 0.99 3.38 -1.91 -1.83 115.31 115.93 2og2 h LEU 259 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2og2 h LEU 259 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2og2 h LEU 259 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2og2 n ASN 260 N -2.85 0.00 0.16 -0.43 3.02 -0.55 -2.05 115.26 112.57 2og2 n ASN 260 Ca -0.02 -0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.53 2og2 n ASN 260 Cb 0.11 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 2og2 n ASN 260 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2og2 h MET 261 N 0.00 0.00 -0.28 3.52 -0.00 -1.43 -3.40 114.93 113.34 2og2 h MET 261 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2og2 h MET 261 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.67 2og2 h MET 261 CO 0.00 0.09 0.09 -0.07 -0.00 0.00 0.00 176.91 177.02 2og2 h LEU 262 N 0.00 0.40 -1.08 -0.10 4.07 -1.63 -0.71 115.31 116.26 2og2 h LEU 262 Ca -0.01 -0.20 0.07 0.00 0.08 0.00 0.00 57.88 57.83 2og2 h LEU 262 Cb 1.09 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.66 2og2 h LEU 262 CO 0.01 0.49 0.62 -0.65 -1.08 0.00 0.00 178.44 177.83 2og2 h PRO 263 N 0.29 1.05 -0.06 1.13 0.11 -1.79 0.48 132.00 133.21 2og2 h PRO 263 Ca 0.09 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 2og2 h PRO 263 Cb 0.23 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2og2 h PRO 263 CO -0.00 0.69 -0.25 0.37 -0.21 0.00 0.00 178.00 178.59 2og2 h GLN 264 N 1.08 0.28 -0.93 1.05 4.15 -1.71 -1.46 115.11 117.57 2og2 h GLN 264 Ca 0.42 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.67 2og2 h GLN 264 Cb 0.24 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2og2 h GLN 264 CO -0.17 0.86 0.61 0.00 -1.93 0.00 0.00 178.83 178.20 2og2 h ALA 265 N 0.43 1.42 -0.78 3.38 0.00 -1.01 -0.58 119.26 122.12 2og2 h ALA 265 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2og2 h ALA 265 Cb 0.90 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2og2 h ALA 265 CO 0.05 0.47 0.35 -0.09 0.00 0.00 0.00 179.25 180.03 2og2 h ARG 266 N 1.15 1.14 0.10 0.00 2.43 -0.75 -1.00 114.38 117.45 2og2 h ARG 266 Ca 0.38 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2og2 h ARG 266 Cb 0.06 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2og2 h ARG 266 CO -0.12 0.90 -0.05 1.49 -1.51 0.00 0.00 179.97 180.67 2og2 h GLU 267 N 1.12 -0.13 -0.81 0.20 4.81 -0.37 -1.89 114.58 117.50 2og2 h GLU 267 Ca 0.27 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 2og2 h GLU 267 Cb 0.16 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 2og2 h GLU 267 CO -0.03 0.14 0.46 0.74 -0.73 0.00 0.00 179.01 179.59 2og2 h PHE 268 N -0.40 0.82 -0.25 0.92 0.04 -1.01 -2.03 116.94 115.03 2og2 h PHE 268 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2og2 h PHE 268 Cb 0.33 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2og2 h PHE 268 CO 0.01 0.33 -0.04 -0.97 -0.60 0.00 0.00 178.31 177.04 2og2 h ASN 269 N 0.76 0.47 1.25 2.17 -1.24 -0.99 0.24 115.58 118.24 2og2 h ASN 269 Ca 0.39 -0.35 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 2og2 h ASN 269 Cb 0.38 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2og2 h ASN 269 CO -0.25 0.71 -0.41 1.05 -1.29 0.00 0.00 177.43 177.23 2og2 h GLU 270 N 0.23 0.00 0.01 6.67 4.11 -1.23 -0.99 114.58 123.39 2og2 h GLU 270 Ca 0.07 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.36 2og2 h GLU 270 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2og2 h GLU 270 CO 0.02 0.41 -0.75 0.28 0.07 0.00 0.00 179.01 179.05 2og2 h VAL 271 N 0.00 1.30 0.00 -1.06 2.07 -1.34 -3.44 116.25 113.78 2og2 h VAL 271 Ca -0.00 -2.27 -0.35 0.00 0.82 0.00 0.00 66.70 64.89 2og2 h VAL 271 Cb 1.15 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 33.63 2og2 h VAL 271 CO 0.05 0.48 -2.27 0.52 0.02 0.00 0.00 177.57 176.37 2og2 n VAL 272 N -4.46 1.27 -0.27 2.57 0.31 0.80 -4.97 118.33 113.58 2og2 n VAL 272 Ca -0.22 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2og2 n VAL 272 Cb 0.62 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2og2 n VAL 272 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2og2 n GLY 273 N 2.13 -0.59 3.81 2.92 0.00 -0.37 -5.01 105.19 108.08 2og2 n GLY 273 Ca -0.41 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2og2 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2og2 s ILE 274 N -0.02 4.81 -0.36 -0.61 -1.09 -1.26 -4.73 121.20 117.93 2og2 s ILE 274 Ca 0.00 1.15 0.16 0.00 -2.23 0.00 0.00 60.65 59.72 2og2 s ILE 274 Cb 0.00 -3.86 -0.21 0.00 -1.58 0.00 0.00 42.46 36.81 2og2 s ILE 274 CO 0.00 0.55 0.50 0.35 -1.23 0.00 0.00 174.94 175.11 2og2 n THR 275 N 1.81 0.00 -3.54 2.92 -2.24 -0.43 -4.97 114.28 107.84 2og2 n THR 275 Ca -0.11 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2og2 n THR 275 Cb 0.51 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.23 2og2 n THR 275 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2og2 s GLY 276 N -3.19 -0.47 0.04 3.38 0.00 -1.20 -4.48 107.32 101.41 2og2 s GLY 276 Ca -0.00 1.54 0.03 0.00 0.00 0.00 0.00 44.72 46.29 2og2 s GLY 276 CO 0.65 0.94 -0.01 1.08 0.00 0.00 0.00 173.10 175.77 2og2 s LEU 277 N -1.24 3.44 -0.16 0.66 1.43 0.55 -0.85 118.68 122.50 2og2 s LEU 277 Ca -0.07 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2og2 s LEU 277 Cb -0.00 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2og2 s LEU 277 CO 0.06 0.23 -0.12 -0.63 0.23 0.00 0.00 176.35 176.12 2og2 s ILE 278 N -1.18 1.55 -0.22 -0.59 1.01 -0.02 -0.53 121.20 121.23 2og2 s ILE 278 Ca 0.22 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2og2 s ILE 278 Cb -0.12 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2og2 s ILE 278 CO 0.14 0.35 0.03 -0.76 0.00 0.00 0.00 174.94 174.70 2og2 s LEU 279 N 1.47 3.36 0.44 2.97 1.43 -0.97 -0.54 118.68 126.85 2og2 s LEU 279 Ca 0.03 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2og2 s LEU 279 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2og2 s LEU 279 CO -0.10 0.04 0.14 0.42 0.23 0.00 0.00 176.35 177.08 2og2 s THR 280 N 1.18 1.97 -1.76 5.49 -4.23 -0.05 -0.41 115.64 117.83 2og2 s THR 280 Ca 0.04 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2og2 s THR 280 Cb -0.14 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2og2 s THR 280 CO 0.02 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.39 2og2 n LYS 281 N -1.25 -1.35 0.05 3.99 4.76 -1.12 -0.38 118.16 122.86 2og2 n LYS 281 Ca -0.05 1.08 0.12 0.00 -2.87 0.00 0.00 58.31 56.58 2og2 n LYS 281 Cb 0.65 -5.37 0.47 0.00 -1.84 0.00 0.00 35.03 28.94 2og2 n LYS 281 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2og2 n LEU 282 N -1.89 0.31 -4.52 -0.35 4.77 -0.59 -4.69 117.00 110.04 2og2 n LEU 282 Ca -0.17 0.55 -0.49 0.00 -0.03 0.00 0.00 56.01 55.87 2og2 n LEU 282 Cb 0.59 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2og2 n LEU 282 CO 0.25 -0.21 1.75 -0.90 -1.33 0.00 0.00 177.39 176.95 2og2 n ASP 283 N -1.81 2.51 0.00 -1.43 5.75 -1.25 -1.77 116.55 118.55 2og2 n ASP 283 Ca 0.05 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2og2 n ASP 283 Cb 0.30 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 2og2 n ASP 283 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2og2 n GLY 284 N 6.01 0.69 3.81 6.12 0.00 -0.18 -4.97 105.19 116.67 2og2 n GLY 284 Ca 0.36 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2og2 n GLY 284 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2og2 s SER 285 N -2.29 7.04 -0.09 1.61 0.15 -0.52 -4.52 113.70 115.08 2og2 s SER 285 Ca 0.00 1.64 0.15 0.00 0.70 0.00 0.00 55.95 58.44 2og2 s SER 285 Cb 0.00 -2.51 0.49 0.00 -1.71 0.00 0.00 66.02 62.29 2og2 s SER 285 CO 0.00 -0.21 1.41 0.00 1.20 0.00 0.00 173.24 175.64 2og2 n ALA 286 N -0.10 2.70 -1.63 5.45 0.00 -1.26 -2.06 120.51 123.61 2og2 n ALA 286 Ca 0.04 -1.69 -0.08 0.00 0.00 0.00 0.00 53.44 51.72 2og2 n ALA 286 Cb 0.52 -0.68 0.15 0.00 0.00 0.00 0.00 19.45 19.45 2og2 n ALA 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2og2 n ARG 287 N 0.28 2.21 0.04 0.00 1.74 -1.26 -4.65 116.66 115.02 2og2 n ARG 287 Ca 0.19 -3.46 0.21 0.00 -0.77 0.00 0.00 57.85 54.01 2og2 n ARG 287 Cb 0.71 -1.89 0.73 0.00 -1.02 0.00 0.00 32.46 31.00 2og2 n ARG 287 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2og2 h GLY 288 N 1.33 0.00 2.00 -0.13 0.00 -1.80 -0.93 103.07 103.54 2og2 h GLY 288 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2og2 h GLY 288 CO 0.43 0.00 -0.02 -1.33 0.00 0.00 0.00 176.54 175.62 2og2 h GLY 289 N 0.00 0.00 2.00 4.60 0.00 -0.96 -2.81 103.07 105.90 2og2 h GLY 289 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.46 2og2 h GLY 289 CO -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 176.07 2og2 h VAL 291 N 0.00 0.96 -0.20 0.00 2.07 -1.69 0.60 116.25 117.99 2og2 h VAL 291 Ca -0.00 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2og2 h VAL 291 Cb 0.89 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2og2 h VAL 291 CO 0.06 0.06 -0.02 0.58 0.02 0.00 0.00 177.57 178.27 2og2 h VAL 292 N 0.31 1.27 -0.35 2.57 2.07 -1.64 -2.74 116.25 117.73 2og2 h VAL 292 Ca 0.14 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.79 2og2 h VAL 292 Cb 0.07 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2og2 h VAL 292 CO -0.11 0.28 0.03 0.28 0.02 0.00 0.00 177.57 178.06 2og2 h SER 293 N 0.11 -0.08 -0.51 0.57 0.02 -1.05 -1.51 113.55 111.10 2og2 h SER 293 Ca 0.05 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2og2 h SER 293 Cb 0.43 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2og2 h SER 293 CO 0.01 -0.01 -0.19 1.62 -1.14 0.00 0.00 176.83 177.13 2og2 h VAL 294 N 0.13 1.27 0.02 2.27 3.04 -0.90 -1.99 116.25 120.08 2og2 h VAL 294 Ca 0.17 -1.35 -0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2og2 h VAL 294 Cb 0.22 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2og2 h VAL 294 CO -0.26 0.47 -0.01 0.58 -1.01 0.00 0.00 177.57 177.35 2og2 h VAL 295 N 0.89 1.08 -0.04 1.51 2.07 -1.30 -2.70 116.25 117.75 2og2 h VAL 295 Ca 0.12 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 2og2 h VAL 295 Cb 0.77 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2og2 h VAL 295 CO 0.06 0.07 -0.63 1.05 0.02 0.00 0.00 177.57 178.15 2og2 h GLU 296 N -0.15 0.17 -0.25 1.57 -0.00 -1.24 0.12 114.58 114.79 2og2 h GLU 296 Ca -0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 59.36 59.16 2og2 h GLU 296 Cb 0.14 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 2og2 h GLU 296 CO 0.00 0.74 -0.14 1.49 -0.00 0.00 0.00 179.01 181.10 2og2 h GLU 297 N 0.12 0.55 -0.00 1.06 4.57 -1.35 -3.35 114.58 116.17 2og2 h GLU 297 Ca -0.01 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2og2 h GLU 297 Cb 1.13 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2og2 h GLU 297 CO 0.09 0.81 -0.59 1.28 -1.18 0.00 0.00 179.01 179.42 2og2 n LEU 298 N -4.45 0.95 -0.51 1.64 4.77 -1.02 -4.99 117.00 113.39 2og2 n LEU 298 Ca -0.04 -0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 55.30 2og2 n LEU 298 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2og2 n LEU 298 CO 0.41 0.21 -0.06 0.61 -1.33 0.00 0.00 177.39 177.23 2og2 n GLY 299 N 1.29 0.83 3.70 -0.72 0.00 0.40 -5.00 105.19 105.70 2og2 n GLY 299 Ca 0.04 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2og2 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2og2 s ILE 300 N -2.03 5.21 0.44 -0.61 1.01 -1.24 -5.06 121.20 118.92 2og2 s ILE 300 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 2og2 s ILE 300 Cb 0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 2og2 s ILE 300 CO 0.00 0.45 1.08 -2.84 0.00 0.00 0.00 174.94 173.63 2og2 s PRO 301 N 0.31 3.93 -0.19 2.79 0.02 -1.26 -4.47 135.00 136.12 2og2 s PRO 301 Ca 0.07 1.54 -0.25 0.00 0.02 0.00 0.00 61.00 62.37 2og2 s PRO 301 Cb -0.11 -2.36 -0.01 0.00 0.02 0.00 0.00 34.50 32.03 2og2 s PRO 301 CO -0.01 -0.35 0.83 0.08 -0.33 0.00 0.00 177.00 177.22 2og2 s VAL 302 N -1.72 4.87 -0.18 3.83 1.01 -1.26 -0.33 120.40 126.62 2og2 s VAL 302 Ca 0.62 1.60 0.12 0.00 0.00 0.00 0.00 61.98 64.32 2og2 s VAL 302 Cb -0.22 -4.13 -0.19 0.00 0.00 0.00 0.00 36.38 31.85 2og2 s VAL 302 CO 0.27 -0.00 -0.00 0.29 0.00 0.00 0.00 175.10 175.66 2og2 n LYS 303 N 5.45 1.11 -4.07 2.72 5.02 0.31 -4.57 118.16 124.13 2og2 n LYS 303 Ca 0.05 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 2og2 n LYS 303 Cb 0.48 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 2og2 n LYS 303 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2og2 s PHE 304 N -2.41 0.62 -0.01 2.13 0.08 -1.18 -0.61 117.98 116.61 2og2 s PHE 304 Ca -0.13 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.33 2og2 s PHE 304 Cb 0.05 -0.38 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2og2 s PHE 304 CO 0.63 -0.14 -0.14 0.96 -0.10 0.00 0.00 175.22 176.43 2og2 s ILE 305 N -2.04 1.12 -0.33 0.64 -4.36 0.60 -2.30 121.20 114.53 2og2 s ILE 305 Ca -0.05 -0.62 -0.14 0.00 -0.26 0.00 0.00 60.65 59.57 2og2 s ILE 305 Cb -0.06 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.70 2og2 s ILE 305 CO -0.02 0.30 0.29 -0.83 0.24 0.00 0.00 174.94 174.93 2og2 s GLY 306 N -0.37 1.93 -0.25 6.27 0.00 0.46 -0.54 107.32 114.82 2og2 s GLY 306 Ca 0.05 -1.25 0.11 0.00 0.00 0.00 0.00 44.72 43.63 2og2 s GLY 306 CO -0.00 0.86 1.19 3.33 0.00 0.00 0.00 173.10 178.47 2og2 n VAL 307 N 5.16 2.18 0.00 1.40 0.24 -0.02 -1.55 118.33 125.74 2og2 n VAL 307 Ca -0.11 -3.67 0.00 0.00 -2.04 0.00 0.00 64.34 58.52 2og2 n VAL 307 Cb 0.50 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2og2 n VAL 307 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2og2 n GLY 308 N -0.74 1.22 0.08 7.63 0.00 -1.26 -4.59 105.19 107.53 2og2 n GLY 308 Ca 0.32 -1.12 0.11 0.00 0.00 0.00 0.00 46.02 45.33 2og2 n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2og2 n GLU 309 N -0.90 0.51 -1.47 1.61 -0.58 -1.26 -4.72 120.64 113.84 2og2 n GLU 309 Ca 0.00 0.05 -0.32 0.00 -0.42 0.00 0.00 57.16 56.47 2og2 n GLU 309 Cb 0.00 -1.72 0.07 0.00 -0.57 0.00 0.00 31.44 29.22 2og2 n GLU 309 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2og2 s ALA 310 N -3.33 2.31 0.42 0.62 0.00 -1.26 -4.92 121.76 115.59 2og2 s ALA 310 Ca 0.00 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.50 2og2 s ALA 310 Cb 0.12 -3.31 0.89 0.00 0.00 0.00 0.00 23.12 20.81 2og2 s ALA 310 CO 0.80 -1.60 1.98 0.28 0.00 0.00 0.00 175.76 177.22 2og2 h VAL 311 N -0.60 1.14 -0.27 0.00 2.07 -1.99 -1.07 116.25 115.53 2og2 h VAL 311 Ca -0.45 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2og2 h VAL 311 Cb 1.24 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2og2 h VAL 311 CO 0.52 0.18 0.00 -1.84 0.02 0.00 0.00 177.57 176.45 2og2 n GLU 312 N -4.35 1.69 -0.10 1.57 0.00 -1.26 -3.69 120.64 114.49 2og2 n GLU 312 Ca -0.01 -1.06 0.08 0.00 0.00 0.00 0.00 57.16 56.17 2og2 n GLU 312 Cb 0.21 -1.27 0.29 0.00 0.00 0.00 0.00 31.44 30.67 2og2 n GLU 312 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2og2 n ASP 313 N 0.34 1.50 -4.47 -1.84 8.00 -0.40 -4.58 116.55 115.09 2og2 n ASP 313 Ca 0.12 -1.80 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 2og2 n ASP 313 Cb 0.27 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 2og2 n ASP 313 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2og2 s LEU 314 N -1.33 4.78 -0.07 0.64 2.96 -1.24 -0.84 118.68 123.57 2og2 s LEU 314 Ca 0.27 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2og2 s LEU 314 Cb 0.14 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 2og2 s LEU 314 CO 0.21 -0.93 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.13 2og2 s GLN 315 N 2.85 2.72 0.49 1.98 -1.52 0.29 -4.92 119.66 121.56 2og2 s GLN 315 Ca 0.18 -0.57 -0.24 0.00 -1.95 0.00 0.00 55.36 52.79 2og2 s GLN 315 Cb -0.18 -2.57 -0.07 0.00 -0.22 0.00 0.00 33.01 29.98 2og2 s GLN 315 CO 0.14 0.66 1.35 -2.14 -0.25 0.00 0.00 175.29 175.04 2og2 s PRO 316 N -0.79 3.50 -0.01 2.91 0.02 -1.26 -0.29 135.00 139.07 2og2 s PRO 316 Ca 0.12 2.23 -0.27 0.00 0.02 0.00 0.00 61.00 63.10 2og2 s PRO 316 Cb -0.11 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 2og2 s PRO 316 CO 0.01 -0.90 0.85 0.12 -0.33 0.00 0.00 177.00 176.76 2og2 s PHE 317 N -1.29 3.64 -0.29 6.54 5.36 0.22 -4.75 117.98 127.41 2og2 s PHE 317 Ca 0.65 1.52 0.03 0.00 -0.96 0.00 0.00 56.93 58.17 2og2 s PHE 317 Cb -0.40 -2.97 0.08 0.00 -0.34 0.00 0.00 43.02 39.39 2og2 s PHE 317 CO 0.49 0.06 -0.02 0.34 -1.46 0.00 0.00 175.22 174.63 2og2 s ASP 318 N 0.78 4.43 0.27 6.13 -1.08 -1.26 -4.94 116.67 120.99 2og2 s ASP 318 Ca 0.45 -1.66 -0.04 0.00 -0.52 0.00 0.00 52.55 50.78 2og2 s ASP 318 Cb -0.20 -1.46 0.36 0.00 -1.46 0.00 0.00 42.92 40.16 2og2 s ASP 318 CO 0.24 -0.29 1.93 -0.65 0.52 0.00 0.00 175.17 176.92 2og2 h PRO 319 N 7.77 1.21 -0.19 4.34 0.11 -1.95 -1.30 132.00 141.98 2og2 h PRO 319 Ca -0.13 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2og2 h PRO 319 Cb 1.04 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2og2 h PRO 319 CO 0.47 0.80 0.04 1.49 -0.21 0.00 0.00 178.00 180.60 2og2 h GLU 320 N 1.24 0.31 -0.68 1.05 4.81 -1.95 -1.11 114.58 118.25 2og2 h GLU 320 Ca 0.37 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2og2 h GLU 320 Cb -0.06 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2og2 h GLU 320 CO -0.10 0.45 0.37 0.00 -0.73 0.00 0.00 179.01 179.00 2og2 h ALA 321 N 0.85 1.36 -0.19 2.92 0.00 -1.92 -1.21 119.26 121.08 2og2 h ALA 321 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2og2 h ALA 321 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2og2 h ALA 321 CO 0.00 0.52 0.12 0.35 0.00 0.00 0.00 179.25 180.24 2og2 h PHE 322 N 0.95 0.25 -0.81 0.00 3.04 -0.95 0.17 116.94 119.59 2og2 h PHE 322 Ca 0.24 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.20 2og2 h PHE 322 Cb 0.03 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 2og2 h PHE 322 CO 0.01 0.18 0.53 0.28 -2.02 0.00 0.00 178.31 177.29 2og2 h VAL 323 N 0.24 1.20 -0.68 1.41 2.07 -0.72 -1.21 116.25 118.57 2og2 h VAL 323 Ca 0.07 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2og2 h VAL 323 Cb -0.00 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2og2 h VAL 323 CO -0.01 0.20 0.19 0.78 0.02 0.00 0.00 177.57 178.75 2og2 h ASN 324 N 1.09 0.99 -0.59 0.57 -0.26 -1.06 -1.57 115.58 114.75 2og2 h ASN 324 Ca 0.30 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2og2 h ASN 324 Cb -0.12 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 36.86 2og2 h ASN 324 CO -0.07 0.93 0.34 0.00 -1.06 0.00 0.00 177.43 177.58 2og2 h ALA 325 N 1.19 0.76 0.00 -0.83 0.00 0.45 -0.89 119.26 119.94 2og2 h ALA 325 Ca 0.22 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2og2 h ALA 325 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2og2 h ALA 325 CO -0.00 0.25 -1.30 -0.84 0.00 0.00 0.00 179.25 177.36 2og2 h ILE 326 N 0.80 0.61 0.00 0.00 3.07 -1.24 -3.40 117.51 117.36 2og2 h ILE 326 Ca 0.21 -2.12 0.00 0.00 1.55 0.00 0.00 64.86 64.50 2og2 h ILE 326 Cb 0.01 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2og2 h ILE 326 CO -0.04 0.35 -1.41 0.49 -1.05 0.00 0.00 178.15 176.49 2og2 n PHE 327 N -2.96 0.00 0.33 0.16 3.01 -0.60 -4.15 117.46 113.25 2og2 n PHE 327 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.42 2og2 n PHE 327 Cb 0.84 -0.25 0.03 0.00 -0.01 0.00 0.00 39.48 40.10 2og2 n PHE 327 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20