#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1roz s THR 29 N 0.00 5.03 0.35 6.66 2.01 -1.26 -5.07 115.64 123.36 1roz s THR 29 Ca 0.00 0.79 -0.12 0.00 0.31 0.00 0.00 61.69 62.66 1roz s THR 29 Cb 0.00 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1roz s THR 29 CO 0.00 0.52 0.74 -1.10 -0.69 0.00 0.00 174.62 174.09 1roz s GLN 30 N -1.23 3.88 0.12 4.92 -0.21 -1.26 -5.04 119.66 120.83 1roz s GLN 30 Ca 0.26 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 55.87 1roz s GLN 30 Cb -0.16 -2.43 -0.06 0.00 1.00 0.00 0.00 33.01 31.36 1roz s GLN 30 CO 0.14 0.08 0.98 0.08 -2.12 0.00 0.00 175.29 174.45 1roz s VAL 31 N -2.15 4.42 -0.29 1.09 1.01 -1.26 -4.88 120.40 118.33 1roz s VAL 31 Ca 0.52 2.01 -0.16 0.00 0.00 0.00 0.00 61.98 64.35 1roz s VAL 31 Cb -0.10 -4.28 0.13 0.00 0.00 0.00 0.00 36.38 32.12 1roz s VAL 31 CO 0.24 0.31 0.87 -0.60 0.00 0.00 0.00 175.10 175.92 1roz s ARG 32 N -0.01 0.48 0.44 2.72 6.06 0.29 -5.03 118.95 123.90 1roz s ARG 32 Ca 0.47 0.88 0.02 0.00 -2.50 0.00 0.00 55.73 54.61 1roz s ARG 32 Cb -0.24 0.17 0.00 0.00 0.06 0.00 0.00 34.95 34.94 1roz s ARG 32 CO 0.30 -0.11 0.64 0.20 -2.50 0.00 0.00 175.30 173.83 1roz s GLY 33 N 1.60 1.63 0.29 8.12 0.00 -1.26 -3.82 107.32 113.88 1roz s GLY 33 Ca -0.09 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1roz s GLY 33 CO -0.17 -1.04 1.60 -0.47 0.00 0.00 0.00 173.10 173.02 1roz s TYR 34 N -2.50 2.77 -0.51 1.90 5.04 -1.26 -4.95 117.35 117.84 1roz s TYR 34 Ca 0.49 0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 55.71 1roz s TYR 34 Cb -0.10 -4.07 0.09 0.00 0.35 0.00 0.00 41.96 38.23 1roz s TYR 34 CO 0.36 -3.61 0.52 0.34 -1.34 0.00 0.00 175.55 171.81 1roz s ASP 35 N 0.53 6.18 0.00 4.32 2.15 -1.26 -4.93 116.67 123.66 1roz s ASP 35 Ca 0.64 -1.36 0.03 0.00 0.43 0.00 0.00 52.55 52.29 1roz s ASP 35 Cb -0.48 -2.23 0.15 0.00 -0.30 0.00 0.00 42.92 40.06 1roz s ASP 35 CO 0.47 -0.82 0.75 0.49 -0.17 0.00 0.00 175.17 175.89 1roz n PHE 36 N 5.60 0.00 0.50 -5.34 3.72 -1.26 -0.93 117.46 119.74 1roz n PHE 36 Ca -0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1roz n PHE 36 Cb 0.43 -0.12 0.45 0.00 -0.94 0.00 0.00 39.48 39.30 1roz n PHE 36 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1roz n ASN 37 N -1.12 0.52 -0.25 4.37 3.02 -1.26 -1.31 115.26 119.22 1roz n ASN 37 Ca 0.02 0.61 0.14 0.00 -0.03 0.00 0.00 54.58 55.31 1roz n ASN 37 Cb 0.01 -0.72 0.61 0.00 -0.61 0.00 0.00 39.78 39.07 1roz n ASN 37 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1roz n ARG 38 N -2.05 1.15 0.00 3.52 1.74 -0.11 -5.04 116.66 115.87 1roz n ARG 38 Ca 0.03 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1roz n ARG 38 Cb 0.26 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1roz n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1roz n GLY 39 N 1.19 0.07 3.31 -0.13 0.00 -0.43 -4.67 105.19 104.54 1roz n GLY 39 Ca 0.18 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1roz n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1roz n VAL 40 N 0.07 4.18 -3.10 1.61 0.31 -1.26 -4.72 118.33 115.41 1roz n VAL 40 Ca 0.00 -4.46 -0.45 0.00 -0.01 0.00 0.00 64.34 59.43 1roz n VAL 40 Cb 0.00 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 30.47 1roz n VAL 40 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1roz s ASN 41 N 2.66 6.51 0.25 4.52 3.84 -1.26 -4.94 114.94 126.51 1roz s ASN 41 Ca 0.44 -2.01 -0.04 0.00 0.21 0.00 0.00 52.86 51.47 1roz s ASN 41 Cb 0.02 -2.32 0.46 0.00 -0.55 0.00 0.00 41.25 38.87 1roz s ASN 41 CO 0.01 -0.95 1.73 1.88 -2.79 0.00 0.00 177.10 176.98 1roz h TYR 42 N 8.67 0.52 -0.39 0.43 0.05 -1.99 -0.17 116.97 124.09 1roz h TYR 42 Ca -0.01 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1roz h TYR 42 Cb 1.05 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1roz h TYR 42 CO 1.02 0.06 0.24 -0.09 -1.05 0.00 0.00 178.16 178.35 1roz h ARG 43 N 0.45 0.48 -0.32 4.88 9.65 -2.00 -1.05 114.38 126.48 1roz h ARG 43 Ca 0.42 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 59.17 1roz h ARG 43 Cb 0.63 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1roz h ARG 43 CO -0.40 0.32 -0.21 0.00 2.80 0.00 0.00 179.97 182.48 1roz h ALA 44 N 1.15 1.05 -0.01 2.80 0.00 -1.83 -1.53 119.26 120.88 1roz h ALA 44 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1roz h ALA 44 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1roz h ALA 44 CO -0.05 0.58 0.01 1.25 0.00 0.00 0.00 179.25 181.04 1roz h LEU 45 N 0.53 0.02 -0.92 0.00 5.85 -0.52 -1.44 115.31 118.83 1roz h LEU 45 Ca 0.08 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1roz h LEU 45 Cb 0.65 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1roz h LEU 45 CO 0.05 0.08 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.11 1roz h LEU 46 N -0.05 0.71 -0.85 2.25 3.38 -1.10 -2.60 115.31 117.05 1roz h LEU 46 Ca 0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1roz h LEU 46 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1roz h LEU 46 CO -0.00 0.82 -0.03 -0.08 0.09 0.00 0.00 178.44 179.23 1roz h GLU 47 N 0.68 0.82 0.00 1.13 4.81 -1.12 -2.64 114.58 118.27 1roz h GLU 47 Ca 0.13 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1roz h GLU 47 Cb 0.50 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1roz h GLU 47 CO 0.03 0.84 0.00 0.00 -0.73 0.00 0.00 179.01 179.15 1roz n ALA 48 N -2.48 1.24 0.04 2.92 0.00 -0.56 -2.12 120.51 119.55 1roz n ALA 48 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1roz n ALA 48 Cb 0.32 -1.12 0.34 0.00 0.00 0.00 0.00 19.45 19.00 1roz n ALA 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1roz h PHE 49 N 0.00 0.44 -0.51 0.00 0.04 -1.45 -2.74 116.94 112.72 1roz h PHE 49 Ca 0.00 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.84 1roz h PHE 49 Cb 0.09 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1roz h PHE 49 CO 0.00 0.46 0.35 0.78 -0.60 0.00 0.00 178.31 179.30 1roz h GLY 50 N 0.77 0.33 -1.68 -1.45 0.00 -1.57 -1.45 103.07 98.01 1roz h GLY 50 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1roz h GLY 50 CO 0.01 0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.31 1roz n THR 51 N -4.45 1.35 0.04 4.70 -2.24 -1.05 -4.51 114.28 108.12 1roz n THR 51 Ca 0.08 -1.19 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 1roz n THR 51 Cb 0.42 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 1roz n THR 51 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1roz h THR 52 N 2.44 1.37 0.00 4.28 2.02 -1.06 0.86 112.91 122.82 1roz h THR 52 Ca 0.00 -3.10 0.00 0.00 0.77 0.00 0.00 66.41 64.08 1roz h THR 52 Cb 0.98 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1roz h THR 52 CO 0.07 0.81 0.00 0.61 0.37 0.00 0.00 175.52 177.38 1roz n GLY 53 N 1.47 2.02 7.00 2.16 0.00 -1.25 -4.82 105.19 111.76 1roz n GLY 53 Ca -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1roz n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1roz n PHE 54 N 0.55 0.00 0.25 1.61 3.72 -1.26 -1.72 117.46 120.61 1roz n PHE 54 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1roz n PHE 54 Cb 0.00 0.01 0.62 0.00 -0.94 0.00 0.00 39.48 39.16 1roz n PHE 54 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1roz h GLN 55 N 0.00 0.00 -0.62 -1.08 1.08 -1.97 -2.57 115.11 109.95 1roz h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1roz h GLN 55 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1roz h GLN 55 CO 0.00 0.16 0.40 0.00 -0.95 0.00 0.00 178.83 178.44 1roz h ALA 56 N 1.84 0.78 -0.64 3.87 0.00 -1.60 0.11 119.26 123.63 1roz h ALA 56 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1roz h ALA 56 Cb 0.53 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1roz h ALA 56 CO 0.02 0.22 0.13 1.15 0.00 0.00 0.00 179.25 180.78 1roz h THR 57 N 0.83 1.25 -0.39 0.00 2.02 -0.94 -1.78 112.91 113.90 1roz h THR 57 Ca 0.22 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1roz h THR 57 Cb -0.08 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1roz h THR 57 CO -0.05 0.36 0.08 0.78 0.37 0.00 0.00 175.52 177.06 1roz h ASN 58 N 0.97 0.53 -0.24 4.18 2.35 -1.17 -0.77 115.58 121.44 1roz h ASN 58 Ca 0.20 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1roz h ASN 58 Cb 0.38 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1roz h ASN 58 CO 0.01 0.55 0.12 0.15 -1.65 0.00 0.00 177.43 176.60 1roz h PHE 59 N 0.56 0.34 -0.97 1.19 3.57 -0.16 0.11 116.94 121.59 1roz h PHE 59 Ca 0.13 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1roz h PHE 59 Cb 0.25 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 1roz h PHE 59 CO 0.01 0.32 0.63 0.78 -2.23 0.00 0.00 178.31 177.82 1roz h GLY 60 N 0.25 1.47 1.30 2.40 0.00 -0.63 -0.31 103.07 107.54 1roz h GLY 60 Ca 0.08 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1roz h GLY 60 CO -0.01 0.30 -0.36 3.21 0.00 0.00 0.00 176.54 179.67 1roz h ARG 61 N 1.09 0.78 -0.77 4.80 3.08 -0.61 -2.42 114.38 120.34 1roz h ARG 61 Ca 0.43 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1roz h ARG 61 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1roz h ARG 61 CO -0.18 1.01 0.34 0.00 -1.07 0.00 0.00 179.97 180.08 1roz h ALA 62 N 0.94 0.99 -0.03 0.04 0.00 0.54 -0.89 119.26 120.86 1roz h ALA 62 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1roz h ALA 62 Cb 0.91 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1roz h ALA 62 CO 0.08 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.18 1roz h VAL 63 N 1.10 0.94 -0.75 0.00 2.07 -0.96 0.11 116.25 118.76 1roz h VAL 63 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1roz h VAL 63 Cb 0.16 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1roz h VAL 63 CO -0.03 0.00 0.47 1.56 0.02 0.00 0.00 177.57 179.59 1roz h GLN 64 N -0.02 0.89 -0.49 1.57 4.20 -1.07 -0.19 115.11 119.99 1roz h GLN 64 Ca 0.02 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1roz h GLN 64 Cb 0.05 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1roz h GLN 64 CO -0.04 0.59 -0.10 1.96 -0.67 0.00 0.00 178.83 180.56 1roz h GLN 65 N 0.91 0.93 -0.16 1.46 1.08 -0.78 -0.05 115.11 118.51 1roz h GLN 65 Ca 0.30 -0.35 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 1roz h GLN 65 Cb 0.03 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1roz h GLN 65 CO -0.12 1.01 -0.46 0.28 -0.95 0.00 0.00 178.83 178.59 1roz h VAL 66 N 0.79 1.32 -0.13 -0.54 2.07 -0.58 -1.69 116.25 117.49 1roz h VAL 66 Ca 0.13 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.88 1roz h VAL 66 Cb 0.66 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1roz h VAL 66 CO 0.05 0.51 -0.39 0.78 0.02 0.00 0.00 177.57 178.53 1roz h ASN 67 N 0.33 0.28 -0.50 0.57 2.35 -0.82 -1.07 115.58 116.72 1roz h ASN 67 Ca 0.02 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1roz h ASN 67 Cb 0.94 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1roz h ASN 67 CO 0.08 0.65 -0.06 0.00 -1.65 0.00 0.00 177.43 176.45 1roz h ALA 68 N 1.37 0.88 -0.41 -0.83 0.00 -0.64 0.10 119.26 119.72 1roz h ALA 68 Ca 0.02 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1roz h ALA 68 Cb 0.79 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1roz h ALA 68 CO 0.06 0.65 0.24 0.52 0.00 0.00 0.00 179.25 180.72 1roz h MET 69 N 0.87 0.48 -0.23 0.00 2.86 -0.88 -0.44 114.93 117.59 1roz h MET 69 Ca 0.15 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1roz h MET 69 Cb 0.60 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1roz h MET 69 CO 0.04 0.32 -0.01 0.82 1.06 0.00 0.00 176.91 179.14 1roz h ILE 70 N 0.49 1.26 -0.83 -1.22 2.04 -0.89 -0.37 117.51 117.99 1roz h ILE 70 Ca 0.16 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1roz h ILE 70 Cb 0.00 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1roz h ILE 70 CO -0.07 0.28 0.52 -0.08 0.00 0.00 0.00 178.15 178.80 1roz h GLU 71 N 0.18 0.94 -0.28 2.37 4.81 -0.66 -0.50 114.58 121.44 1roz h GLU 71 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1roz h GLU 71 Cb 0.42 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1roz h GLU 71 CO 0.01 0.62 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.62 1roz h LYS 72 N 0.97 0.55 -0.75 1.92 1.63 -0.93 -2.82 116.57 117.15 1roz h LYS 72 Ca 0.35 -0.22 0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1roz h LYS 72 Cb 0.11 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1roz h LYS 72 CO -0.15 0.76 0.49 -0.22 -3.45 0.00 0.00 179.45 176.88 1roz h LYS 73 N 0.31 0.81 -0.00 1.90 3.64 -0.36 -1.09 116.57 121.78 1roz h LYS 73 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1roz h LYS 73 Cb 0.56 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1roz h LYS 73 CO 0.03 0.53 -0.01 1.28 -2.27 0.00 0.00 179.45 179.02 1roz n LEU 74 N -4.47 0.01 -4.77 5.20 4.77 -0.26 -3.45 117.00 114.02 1roz n LEU 74 Ca 0.10 0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 56.08 1roz n LEU 74 Cb 0.19 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1roz n LEU 74 CO 0.34 0.00 0.95 -0.70 -1.33 0.00 0.00 177.39 176.65 1roz s GLU 75 N -2.81 4.14 0.55 3.23 2.12 -0.41 -4.98 118.70 120.54 1roz s GLU 75 Ca 0.21 2.14 -0.19 0.00 0.36 0.00 0.00 54.97 57.48 1roz s GLU 75 Cb 0.20 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 1roz s GLU 75 CO 0.50 -0.34 1.11 -2.14 -0.54 0.00 0.00 175.26 173.84 1roz s PRO 76 N -2.06 3.36 -0.11 4.30 0.02 -1.26 -4.21 135.00 135.04 1roz s PRO 76 Ca 0.54 1.51 -0.23 0.00 0.02 0.00 0.00 61.00 62.84 1roz s PRO 76 Cb -0.38 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 1roz s PRO 76 CO 0.49 -0.82 0.71 -0.51 -0.33 0.00 0.00 177.00 176.54 1roz s LEU 77 N -3.92 4.26 0.98 -5.54 1.43 -1.26 -4.92 118.68 109.72 1roz s LEU 77 Ca 0.70 1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 54.79 1roz s LEU 77 Cb -0.22 -3.07 0.18 0.00 0.03 0.00 0.00 46.19 43.12 1roz s LEU 77 CO 0.28 -0.19 1.13 -0.94 0.23 0.00 0.00 176.35 176.87 1roz s SER 78 N 0.92 2.84 0.15 2.29 1.04 -1.26 -4.68 113.70 114.99 1roz s SER 78 Ca 0.36 0.94 -0.17 0.00 0.48 0.00 0.00 55.95 57.57 1roz s SER 78 Cb -0.17 -1.48 0.01 0.00 0.10 0.00 0.00 66.02 64.48 1roz s SER 78 CO 0.16 -2.97 1.80 -0.61 0.98 0.00 0.00 173.24 172.60 1roz h GLN 79 N -1.79 0.47 -0.30 4.02 4.15 -1.98 0.26 115.11 119.93 1roz h GLN 79 Ca -0.51 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.85 1roz h GLN 79 Cb 1.32 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1roz h GLN 79 CO 0.56 0.31 0.05 -0.44 -1.93 0.00 0.00 178.83 177.37 1roz h ASP 80 N 0.48 0.48 0.02 -0.69 3.32 -2.00 -1.93 116.42 116.11 1roz h ASP 80 Ca 0.14 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1roz h ASP 80 Cb -0.04 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1roz h ASP 80 CO -0.04 0.62 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.76 1roz h GLU 81 N 0.32 -0.03 -0.95 3.56 5.08 -1.85 -2.60 114.58 118.12 1roz h GLU 81 Ca 0.09 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1roz h GLU 81 Cb 0.35 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1roz h GLU 81 CO 0.01 0.02 0.60 0.22 -1.00 0.00 0.00 179.01 178.86 1roz h ASP 82 N -0.07 0.77 -0.07 1.42 1.82 -0.44 -0.84 116.42 119.02 1roz h ASP 82 Ca -0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1roz h ASP 82 Cb 0.06 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1roz h ASP 82 CO 0.01 0.39 0.04 -0.61 -1.61 0.00 0.00 179.24 177.45 1roz h GLN 83 N 0.82 0.08 -0.08 0.28 4.15 -0.96 -2.37 115.11 117.02 1roz h GLN 83 Ca 0.48 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.88 1roz h GLN 83 Cb 0.66 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 1roz h GLN 83 CO -0.25 0.05 -0.03 1.25 -1.93 0.00 0.00 178.83 177.92 1roz h HIS 84 N 0.08 0.18 -0.02 3.99 2.76 -1.18 -3.18 115.15 117.78 1roz h HIS 84 Ca 0.02 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1roz h HIS 84 Cb -0.00 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1roz h HIS 84 CO -0.08 0.51 0.02 0.00 -1.30 0.00 0.00 177.93 177.07 1roz h ALA 85 N 0.65 1.76 -0.02 5.26 0.00 -1.19 -1.54 119.26 124.17 1roz h ALA 85 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1roz h ALA 85 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1roz h ALA 85 CO 0.01 -0.03 0.00 -3.47 0.00 0.00 0.00 179.25 175.76 1roz n ASP 86 N -4.15 0.36 0.00 0.00 2.03 -0.89 -3.93 116.55 109.97 1roz n ASP 86 Ca -0.03 -1.28 0.02 0.00 0.52 0.00 0.00 54.79 54.02 1roz n ASP 86 Cb 0.11 -0.01 0.13 0.00 -0.72 0.00 0.00 41.12 40.62 1roz n ASP 86 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1roz n LEU 87 N -0.64 0.00 -4.88 -2.67 4.77 -0.58 -4.78 117.00 108.23 1roz n LEU 87 Ca 0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 1roz n LEU 87 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1roz n LEU 87 CO 0.15 0.00 -0.17 0.42 -1.33 0.00 0.00 177.39 176.46 1roz s THR 88 N -2.00 5.02 0.27 -5.08 -4.23 -1.25 -5.02 115.64 103.35 1roz s THR 88 Ca 0.07 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1roz s THR 88 Cb 0.03 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1roz s THR 88 CO 0.05 0.01 1.63 1.56 -0.54 0.00 0.00 174.62 177.33 1roz h GLN 89 N 2.69 0.13 -6.29 3.99 7.50 -1.96 -3.46 115.11 117.70 1roz h GLN 89 Ca -0.47 -0.08 -0.64 0.00 0.50 0.00 0.00 58.65 57.96 1roz h GLN 89 Cb 1.18 0.01 0.10 0.00 0.05 0.00 0.00 27.48 28.82 1roz h GLN 89 CO 0.69 0.65 -0.02 -1.13 -1.50 0.00 0.00 178.83 177.52 1roz n SER 90 N -3.89 0.57 -0.59 1.46 3.41 -1.26 -4.89 113.62 108.42 1roz n SER 90 Ca -0.02 1.16 0.11 0.00 -0.26 0.00 0.00 58.87 59.86 1roz n SER 90 Cb 0.57 -1.16 0.36 0.00 -0.26 0.00 0.00 64.21 63.72 1roz n SER 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1roz n ARG 91 N 1.07 1.78 -2.23 4.33 5.12 -1.26 -4.88 116.66 120.59 1roz n ARG 91 Ca 0.14 -1.18 -0.41 0.00 -1.93 0.00 0.00 57.85 54.47 1roz n ARG 91 Cb 0.27 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1roz n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1roz s ARG 92 N -1.78 4.40 0.11 5.56 3.52 -1.26 -4.93 118.95 124.57 1roz s ARG 92 Ca 0.33 2.04 -0.31 0.00 -0.13 0.00 0.00 55.73 57.66 1roz s ARG 92 Cb 0.18 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.28 1roz s ARG 92 CO 0.27 -0.22 1.83 -1.25 -0.81 0.00 0.00 175.30 175.11 1roz s PRO 93 N -0.26 4.14 0.46 5.12 0.04 -1.26 -4.94 135.00 138.30 1roz s PRO 93 Ca 0.56 2.57 -0.24 0.00 0.04 0.00 0.00 61.00 63.93 1roz s PRO 93 Cb -0.36 -3.67 -0.08 0.00 0.04 0.00 0.00 34.50 30.43 1roz s PRO 93 CO 0.39 -0.85 1.25 1.28 0.04 0.00 0.00 177.00 179.11 1roz n LEU 94 N 5.91 4.23 -4.28 -3.56 4.77 -1.26 -5.02 117.00 117.78 1roz n LEU 94 Ca 0.18 1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 57.06 1roz n LEU 94 Cb 0.39 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.88 1roz n LEU 94 CO 0.66 -0.78 -0.27 0.42 -1.33 0.00 0.00 177.39 176.09 1roz s THR 95 N -1.25 0.49 -1.33 -5.08 -4.23 -1.26 -5.02 115.64 97.96 1roz s THR 95 Ca 0.64 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 59.40 1roz s THR 95 Cb -0.48 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.21 1roz s THR 95 CO 0.55 -0.09 1.80 -1.20 -0.54 0.00 0.00 174.62 175.14 1roz n SER 96 N -0.39 0.00 -3.33 3.99 7.64 -1.22 -4.59 113.62 115.72 1roz n SER 96 Ca -0.01 0.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.89 1roz n SER 96 Cb 0.66 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1roz n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1roz s THR 98 N 2.65 4.65 -0.22 0.00 2.01 0.12 -4.68 115.64 120.17 1roz s THR 98 Ca 0.13 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.59 1roz s THR 98 Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1roz s THR 98 CO -0.17 -0.35 0.10 -0.63 -0.69 0.00 0.00 174.62 172.88 1roz s ILE 99 N 3.30 4.82 -0.21 1.82 1.01 -1.26 -1.22 121.20 129.46 1roz s ILE 99 Ca 0.40 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1roz s ILE 99 Cb -0.13 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1roz s ILE 99 CO 0.13 0.38 0.22 -0.36 0.00 0.00 0.00 174.94 175.31 1roz s PHE 100 N 0.99 3.36 -0.22 3.97 0.40 0.12 -0.82 117.98 125.79 1roz s PHE 100 Ca 0.05 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1roz s PHE 100 Cb -0.14 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.09 1roz s PHE 100 CO 0.03 0.11 -0.09 -1.17 0.70 0.00 0.00 175.22 174.80 1roz s LEU 101 N 0.91 2.77 0.12 -0.37 2.96 0.15 -0.98 118.68 124.25 1roz s LEU 101 Ca 0.11 -0.61 0.10 0.00 -0.22 0.00 0.00 54.13 53.52 1roz s LEU 101 Cb -0.13 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1roz s LEU 101 CO 0.04 -0.05 -0.25 -0.83 -1.32 0.00 0.00 176.35 173.94 1roz s GLY 102 N 1.38 1.60 -0.16 7.98 0.00 -0.25 -1.58 107.32 116.28 1roz s GLY 102 Ca 0.04 -1.44 -0.28 0.00 0.00 0.00 0.00 44.72 43.04 1roz s GLY 102 CO -0.06 -1.41 0.79 -2.52 0.00 0.00 0.00 173.10 169.90 1roz s TYR 103 N -1.07 -0.62 0.60 1.90 1.13 -0.95 -0.62 117.35 117.72 1roz s TYR 103 Ca 0.15 1.27 -0.14 0.00 -1.41 0.00 0.00 57.07 56.94 1roz s TYR 103 Cb -0.10 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 1roz s TYR 103 CO 0.07 -0.45 1.04 0.95 -2.51 0.00 0.00 175.55 174.65 1roz s THR 104 N -0.55 4.11 0.21 -3.49 -4.23 -1.14 -4.11 115.64 106.44 1roz s THR 104 Ca -0.04 0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1roz s THR 104 Cb -0.02 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.53 1roz s THR 104 CO 0.04 -0.70 1.64 0.28 -0.54 0.00 0.00 174.62 175.34 1roz h SER 105 N 0.19 -0.45 -0.16 3.99 0.02 -1.91 -1.63 113.55 113.60 1roz h SER 105 Ca -0.46 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1roz h SER 105 Cb 1.21 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1roz h SER 105 CO 0.59 -0.17 0.17 -0.55 -1.14 0.00 0.00 176.83 175.72 1roz h ASN 106 N 0.05 0.00 1.23 3.07 -0.00 -1.93 -0.38 115.58 117.61 1roz h ASN 106 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.61 1roz h ASN 106 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1roz h ASN 106 CO -0.60 0.00 -0.04 -0.07 -0.00 0.00 0.00 177.43 176.73 1roz h LEU 107 N 0.00 0.00 0.09 6.14 3.38 -1.66 -1.62 115.31 121.64 1roz h LEU 107 Ca 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 1roz h LEU 107 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1roz h LEU 107 CO -0.00 0.04 -1.17 0.40 0.09 0.00 0.00 178.44 177.79 1roz h ILE 108 N 0.00 1.56 -0.15 1.22 1.08 -1.17 -3.05 117.51 117.01 1roz h ILE 108 Ca -0.00 -3.18 -0.07 0.00 -0.39 0.00 0.00 64.86 61.22 1roz h ILE 108 Cb 0.66 2.91 -0.01 0.00 -3.07 0.00 0.00 36.82 37.31 1roz h ILE 108 CO 0.00 0.92 -0.22 0.28 -0.69 0.00 0.00 178.15 178.45 1roz h SER 109 N 0.05 0.25 -4.21 1.72 0.02 -1.32 -3.40 113.55 106.67 1roz h SER 109 Ca -0.10 -0.07 -0.45 0.00 -0.84 0.00 0.00 61.79 60.33 1roz h SER 109 Cb 1.91 -0.07 0.14 0.00 0.14 0.00 0.00 62.40 64.52 1roz h SER 109 CO 0.18 0.48 0.38 -0.94 -1.14 0.00 0.00 176.83 175.79 1roz s SER 110 N -6.87 3.44 0.00 3.07 1.04 -0.66 -4.94 113.70 108.78 1roz s SER 110 Ca -0.05 0.56 0.16 0.00 0.48 0.00 0.00 55.95 57.10 1roz s SER 110 Cb 0.15 -0.83 0.86 0.00 0.10 0.00 0.00 66.02 66.30 1roz s SER 110 CO 0.75 -2.56 1.46 0.61 0.98 0.00 0.00 173.24 174.49 1roz n GLY 111 N -3.18 -0.77 0.05 7.32 0.00 -1.26 -2.31 105.19 105.03 1roz n GLY 111 Ca 0.12 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1roz n GLY 111 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1roz n ILE 112 N -1.23 1.20 -0.24 -0.61 2.08 -1.24 -1.21 119.36 118.11 1roz n ILE 112 Ca 0.09 0.35 -0.00 0.00 0.56 0.00 0.00 62.75 63.75 1roz n ILE 112 Cb 0.12 -1.23 0.21 0.00 -0.75 0.00 0.00 39.64 37.99 1roz n ILE 112 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1roz h ARG 113 N 0.00 1.04 -0.22 0.38 1.12 -1.41 -0.05 114.38 115.24 1roz h ARG 113 Ca 0.00 -0.08 -0.16 0.00 -1.11 0.00 0.00 59.98 58.63 1roz h ARG 113 Cb 0.19 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 1roz h ARG 113 CO 0.00 0.71 -0.54 0.93 -3.11 0.00 0.00 179.97 177.96 1roz h GLU 114 N 1.07 0.63 -0.30 0.20 3.07 -1.43 -1.42 114.58 116.40 1roz h GLU 114 Ca 0.28 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 1roz h GLU 114 Cb -0.09 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1roz h GLU 114 CO -0.06 1.01 0.13 1.15 -1.40 0.00 0.00 179.01 179.84 1roz h THR 115 N 0.49 1.17 -0.47 1.13 2.02 -1.43 -2.09 112.91 113.73 1roz h THR 115 Ca 0.01 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1roz h THR 115 Cb 1.09 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1roz h THR 115 CO 0.11 0.18 0.05 0.40 0.37 0.00 0.00 175.52 176.62 1roz h ILE 116 N 0.34 1.25 -0.88 3.11 2.04 -1.01 -2.89 117.51 119.48 1roz h ILE 116 Ca 0.10 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1roz h ILE 116 Cb 0.17 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1roz h ILE 116 CO -0.01 0.34 0.57 -0.09 0.00 0.00 0.00 178.15 178.97 1roz h ARG 117 N 0.66 1.09 0.12 2.37 1.12 -1.11 -1.96 114.38 116.67 1roz h ARG 117 Ca 0.14 -0.07 0.02 0.00 -1.11 0.00 0.00 59.98 58.96 1roz h ARG 117 Cb 0.44 -0.25 -0.03 0.00 -0.01 0.00 0.00 29.97 30.12 1roz h ARG 117 CO 0.02 0.72 -0.25 -0.92 -3.11 0.00 0.00 179.97 176.43 1roz h TYR 118 N 1.12 -0.67 -0.74 2.20 3.20 -1.25 0.48 116.97 121.32 1roz h TYR 118 Ca 0.35 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.30 1roz h TYR 118 Cb -0.02 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1roz h TYR 118 CO -0.02 -0.35 0.43 -0.07 -1.64 0.00 0.00 178.16 176.51 1roz h LEU 119 N -0.45 0.64 -0.20 2.82 3.38 -1.28 -2.30 115.31 117.93 1roz h LEU 119 Ca 0.03 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1roz h LEU 119 Cb 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1roz h LEU 119 CO -0.14 0.41 -0.35 0.58 0.09 0.00 0.00 178.44 179.02 1roz h VAL 120 N 0.78 1.33 -0.94 1.22 2.07 -1.07 -0.17 116.25 119.46 1roz h VAL 120 Ca 0.33 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 66.41 1roz h VAL 120 Cb 0.20 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.73 1roz h VAL 120 CO -0.19 0.49 0.56 -0.61 0.02 0.00 0.00 177.57 177.84 1roz h GLN 121 N 0.27 0.82 -0.72 1.57 4.15 0.25 -2.27 115.11 119.18 1roz h GLN 121 Ca 0.01 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 1roz h GLN 121 Cb 0.94 -0.18 -0.09 0.00 0.21 0.00 0.00 27.48 28.36 1roz h GLN 121 CO 0.08 0.54 0.20 0.72 -1.93 0.00 0.00 178.83 178.44 1roz n HIS 122 N -4.72 2.35 -3.79 3.99 8.25 -0.89 -4.94 115.22 115.46 1roz n HIS 122 Ca 0.18 -1.05 -0.29 0.00 -0.26 0.00 0.00 57.72 56.30 1roz n HIS 122 Cb 0.40 -0.64 0.02 0.00 1.12 0.00 0.00 29.99 30.88 1roz n HIS 122 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1roz n ASN 123 N 0.09 -4.58 0.09 0.41 3.02 -0.86 -4.88 115.26 108.55 1roz n ASN 123 Ca 0.37 -0.70 0.12 0.00 -0.03 0.00 0.00 54.58 54.34 1roz n ASN 123 Cb 1.33 -3.68 0.22 0.00 -0.61 0.00 0.00 39.78 37.03 1roz n ASN 123 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1roz h MET 124 N -1.78 0.00 -5.27 3.52 2.86 -1.28 -3.46 114.93 109.52 1roz h MET 124 Ca -0.55 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.68 1roz h MET 124 Cb 1.36 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.88 1roz h MET 124 CO 0.65 0.00 -0.68 0.14 1.06 0.00 0.00 176.91 178.08 1roz s VAL 125 N -3.17 1.33 -0.05 -2.22 -7.23 -1.25 -4.90 120.40 102.92 1roz s VAL 125 Ca 0.07 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1roz s VAL 125 Cb 0.12 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 1roz s VAL 125 CO 0.69 -0.44 0.07 0.47 -0.31 0.00 0.00 175.10 175.59 1roz n ASP 126 N -0.42 3.25 -3.86 4.85 8.00 0.00 -4.94 116.55 123.43 1roz n ASP 126 Ca -0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1roz n ASP 126 Cb 0.63 0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 42.48 1roz n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1roz s VAL 127 N -2.29 0.11 0.02 2.53 1.01 -1.08 -3.99 120.40 116.69 1roz s VAL 127 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1roz s VAL 127 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1roz s VAL 127 CO 0.30 0.06 -0.16 -0.76 0.00 0.00 0.00 175.10 174.55 1roz s LEU 128 N 0.32 2.71 -0.03 3.92 1.43 -0.41 -0.67 118.68 125.94 1roz s LEU 128 Ca -0.03 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1roz s LEU 128 Cb -0.05 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1roz s LEU 128 CO -0.01 0.28 0.02 -0.69 0.23 0.00 0.00 176.35 176.18 1roz s VAL 129 N -0.89 0.08 0.17 -1.59 1.01 -0.62 -0.93 120.40 117.63 1roz s VAL 129 Ca 0.14 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1roz s VAL 129 Cb -0.11 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1roz s VAL 129 CO 0.05 0.13 0.45 0.28 0.00 0.00 0.00 175.10 176.01 1roz s THR 130 N 1.19 0.04 0.70 3.92 -1.32 -0.95 -2.23 115.64 117.00 1roz s THR 130 Ca -0.07 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1roz s THR 130 Cb -0.13 -1.55 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 1roz s THR 130 CO -0.02 -0.20 0.97 0.42 -2.21 0.00 0.00 174.62 173.58 1roz s THR 131 N -3.88 2.27 0.19 5.08 -4.23 -1.26 -4.21 115.64 109.60 1roz s THR 131 Ca 0.09 -0.51 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1roz s THR 131 Cb 0.01 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.23 1roz s THR 131 CO -0.04 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.63 1roz h ALA 132 N -0.49 0.02 -0.40 3.99 0.00 -1.82 0.79 119.26 121.35 1roz h ALA 132 Ca -0.40 0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1roz h ALA 132 Cb 1.28 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1roz h ALA 132 CO 0.46 -0.65 0.27 0.78 0.00 0.00 0.00 179.25 180.12 1roz h GLY 133 N -0.14 0.23 2.00 0.00 0.00 -1.92 -0.77 103.07 102.47 1roz h GLY 133 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1roz h GLY 133 CO -0.70 0.05 -0.06 -1.33 0.00 0.00 0.00 176.54 174.50 1roz h GLY 134 N 0.17 0.00 0.00 4.60 0.00 -1.02 -2.01 103.07 104.81 1roz h GLY 134 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1roz h GLY 134 CO -0.03 0.00 -0.32 -0.62 0.00 0.00 0.00 176.54 175.57 1roz n VAL 135 N -3.31 0.77 -0.32 4.60 0.31 -0.33 -4.36 118.33 115.69 1roz n VAL 135 Ca -0.01 0.34 0.09 0.00 -0.01 0.00 0.00 64.34 64.75 1roz n VAL 135 Cb 0.23 -1.98 0.25 0.00 -0.91 0.00 0.00 33.84 31.43 1roz n VAL 135 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1roz h GLU 136 N -0.54 0.67 0.00 5.55 4.11 -1.54 -2.19 114.58 120.64 1roz h GLU 136 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1roz h GLU 136 Cb 0.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1roz h GLU 136 CO 0.00 0.44 -0.13 0.93 0.07 0.00 0.00 179.01 180.33 1roz h GLU 137 N 0.69 0.00 -0.24 1.06 4.39 -1.61 -0.26 114.58 118.61 1roz h GLU 137 Ca 0.50 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.05 1roz h GLU 137 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1roz h GLU 137 CO -0.36 0.13 -0.42 0.22 -1.16 0.00 0.00 179.01 177.41 1roz h ASP 138 N 0.00 0.79 0.20 1.42 3.58 -1.59 -1.90 116.42 118.91 1roz h ASP 138 Ca -0.00 -0.53 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 1roz h ASP 138 Cb 0.37 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1roz h ASP 138 CO 0.02 1.17 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.38 1roz h LEU 139 N 0.44 -0.22 -1.52 2.28 3.38 -1.38 -3.06 115.31 115.23 1roz h LEU 139 Ca 0.02 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.85 1roz h LEU 139 Cb 1.02 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1roz h LEU 139 CO 0.10 0.17 0.49 0.40 0.09 0.00 0.00 178.44 179.69 1roz h ILE 140 N -0.66 0.86 0.00 1.22 2.04 -1.13 0.18 117.51 120.02 1roz h ILE 140 Ca -0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1roz h ILE 140 Cb 0.47 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1roz h ILE 140 CO 0.04 0.09 0.00 0.11 0.00 0.00 0.00 178.15 178.40 1roz h LYS 141 N 0.51 0.00 0.00 2.37 1.57 -1.23 0.18 116.57 119.97 1roz h LYS 141 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1roz h LYS 141 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1roz h LYS 141 CO -0.12 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.37 1roz n LEU 143 N -2.15 0.87 -3.56 0.00 4.77 0.39 -5.04 117.00 112.28 1roz n LEU 143 Ca 0.04 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 1roz n LEU 143 Cb 0.43 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1roz n LEU 143 CO 0.34 0.52 0.48 0.00 -1.33 0.00 0.00 177.39 177.40 1roz s ALA 144 N -2.39 -1.80 0.78 -1.18 0.00 0.18 -5.10 121.76 112.26 1roz s ALA 144 Ca -0.14 1.56 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1roz s ALA 144 Cb 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1roz s ALA 144 CO 0.60 -0.35 1.13 -1.25 0.00 0.00 0.00 175.76 175.89 1roz s PRO 145 N -0.69 2.20 0.03 0.00 0.04 -1.26 -3.83 135.00 131.48 1roz s PRO 145 Ca -0.07 0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.37 1roz s PRO 145 Cb -0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1roz s PRO 145 CO 0.06 -1.48 -0.00 0.99 0.04 0.00 0.00 177.00 176.61 1roz s THR 146 N -3.37 4.08 0.24 1.26 2.01 -1.26 -4.77 115.64 113.83 1roz s THR 146 Ca 0.61 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.98 1roz s THR 146 Cb -0.12 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1roz s THR 146 CO 0.52 0.29 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.26 1roz s TYR 147 N -1.16 2.39 0.28 4.92 2.02 0.20 -4.93 117.35 121.07 1roz s TYR 147 Ca 0.21 -0.31 -0.28 0.00 -0.37 0.00 0.00 57.07 56.32 1roz s TYR 147 Cb -0.12 -1.10 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 1roz s TYR 147 CO 0.13 0.61 0.96 -0.51 -1.57 0.00 0.00 175.55 175.17 1roz s LEU 148 N -3.18 4.50 0.00 -1.29 1.43 -1.26 0.16 118.68 119.03 1roz s LEU 148 Ca 0.27 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1roz s LEU 148 Cb -0.07 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1roz s LEU 148 CO 0.14 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1roz n GLY 149 N 1.06 5.50 3.17 -3.19 0.00 0.45 -4.68 105.19 107.51 1roz n GLY 149 Ca -0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1roz n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1roz s GLU 150 N 4.87 0.60 0.29 1.61 2.02 -1.23 -4.77 118.70 122.08 1roz s GLU 150 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1roz s GLU 150 Cb 0.00 0.26 0.44 0.00 0.10 0.00 0.00 34.13 34.93 1roz s GLU 150 CO 0.00 -0.16 1.74 0.74 0.02 0.00 0.00 175.26 177.60 1roz h PHE 151 N 3.92 0.52 0.00 1.61 0.04 -1.87 -3.22 116.94 117.95 1roz h PHE 151 Ca -0.31 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1roz h PHE 151 Cb 1.19 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1roz h PHE 151 CO 0.55 0.67 0.00 -1.13 -0.60 0.00 0.00 178.31 177.79 1roz n SER 152 N -4.14 0.00 -4.68 2.17 3.41 -1.26 -4.86 113.62 104.26 1roz n SER 152 Ca -0.00 0.32 -0.49 0.00 -0.26 0.00 0.00 58.87 58.43 1roz n SER 152 Cb 0.39 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1roz n SER 152 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1roz n LEU 153 N -1.43 3.38 -4.75 1.04 4.77 -1.22 -4.91 117.00 113.89 1roz n LEU 153 Ca 0.07 0.98 -0.41 0.00 -0.03 0.00 0.00 56.01 56.62 1roz n LEU 153 Cb 0.23 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1roz n LEU 153 CO 0.19 -0.08 1.15 -0.13 -1.33 0.00 0.00 177.39 177.19 1roz s ARG 154 N 4.00 4.22 0.35 3.23 1.81 -1.26 -4.94 118.95 126.35 1roz s ARG 154 Ca 0.93 2.40 0.06 0.00 -1.72 0.00 0.00 55.73 57.40 1roz s ARG 154 Cb -0.72 -3.07 0.66 0.00 -0.45 0.00 0.00 34.95 31.37 1roz s ARG 154 CO 0.52 -0.49 1.88 0.78 -0.68 0.00 0.00 175.30 177.32 1roz h GLY 155 N 4.84 0.45 0.86 -3.53 0.00 -1.98 -2.43 103.07 101.28 1roz h GLY 155 Ca -0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1roz h GLY 155 CO 0.77 0.26 -0.05 1.70 0.00 0.00 0.00 176.54 179.21 1roz h LYS 156 N 0.40 -0.15 -0.14 4.80 3.64 -1.99 0.36 116.57 123.49 1roz h LYS 156 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1roz h LYS 156 Cb 0.36 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1roz h LYS 156 CO 0.02 0.03 0.04 1.49 -2.27 0.00 0.00 179.45 178.76 1roz h GLU 157 N -0.30 0.22 -0.37 1.90 4.81 -1.96 -1.44 114.58 117.44 1roz h GLU 157 Ca -0.02 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1roz h GLU 157 Cb 0.24 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1roz h GLU 157 CO 0.03 0.35 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.54 1roz h LEU 158 N 0.05 -0.26 -0.21 1.64 3.38 -1.37 -1.21 115.31 117.31 1roz h LEU 158 Ca 0.05 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1roz h LEU 158 Cb 0.22 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1roz h LEU 158 CO -0.00 -0.09 0.07 -0.09 0.09 0.00 0.00 178.44 178.42 1roz h ARG 159 N 0.04 0.16 -0.32 1.13 2.43 -0.82 0.17 114.38 117.17 1roz h ARG 159 Ca 0.18 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1roz h ARG 159 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1roz h ARG 159 CO -0.35 0.11 0.29 0.93 -1.51 0.00 0.00 179.97 179.44 1roz h GLU 160 N 0.17 0.00 -0.63 0.20 5.08 -0.63 0.95 114.58 119.72 1roz h GLU 160 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1roz h GLU 160 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1roz h GLU 160 CO -0.10 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.00 1roz n ASN 161 N -4.04 5.09 -2.50 1.42 3.02 -0.30 -4.95 115.26 113.00 1roz n ASN 161 Ca 0.05 -2.60 -0.21 0.00 -0.03 0.00 0.00 54.58 51.79 1roz n ASN 161 Cb 0.45 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1roz n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1roz n GLY 162 N 0.98 -0.47 3.42 7.41 0.00 0.33 -4.96 105.19 111.89 1roz n GLY 162 Ca 0.27 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1roz n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1roz s ILE 163 N -3.06 2.76 -0.10 -0.61 -1.09 -0.11 -0.77 121.20 118.22 1roz s ILE 163 Ca 0.09 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1roz s ILE 163 Cb -0.04 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1roz s ILE 163 CO 0.11 0.58 -0.09 0.20 -1.23 0.00 0.00 174.94 174.52 1roz s ASN 164 N -0.59 4.43 -0.14 3.58 0.01 0.20 -3.75 114.94 118.68 1roz s ASN 164 Ca 0.08 -0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.01 1roz s ASN 164 Cb -0.11 -1.40 -0.04 0.00 0.41 0.00 0.00 41.25 40.11 1roz s ASN 164 CO 0.01 0.26 0.14 -0.60 -1.51 0.00 0.00 177.10 175.39 1roz s ARG 165 N -0.19 3.58 -0.35 -0.60 3.52 -1.26 -0.90 118.95 122.75 1roz s ARG 165 Ca 0.02 -0.15 -0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1roz s ARG 165 Cb -0.13 -3.23 0.12 0.00 -1.56 0.00 0.00 34.95 30.15 1roz s ARG 165 CO 0.03 0.69 0.16 0.42 -0.81 0.00 0.00 175.30 175.78 1roz s ILE 166 N -0.76 0.78 0.00 4.11 1.01 -0.78 -5.00 121.20 120.56 1roz s ILE 166 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1roz s ILE 166 Cb -0.12 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1roz s ILE 166 CO 0.03 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 174.79 1roz n GLY 167 N 4.43 3.89 1.74 6.18 0.00 -1.26 -0.69 105.19 119.47 1roz n GLY 167 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1roz n GLY 167 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1roz n ASN 168 N 7.53 3.53 -4.57 1.61 6.94 -1.26 -4.15 115.26 124.89 1roz n ASN 168 Ca 0.00 -3.56 -0.24 0.00 -0.02 0.00 0.00 54.58 50.76 1roz n ASN 168 Cb 0.00 -0.73 -0.09 0.00 -2.36 0.00 0.00 39.78 36.60 1roz n ASN 168 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1roz s LEU 169 N -3.20 2.95 -0.04 -4.53 1.43 0.13 0.17 118.68 115.60 1roz s LEU 169 Ca 0.51 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1roz s LEU 169 Cb 0.44 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1roz s LEU 169 CO 0.07 0.03 -0.08 -0.76 0.23 0.00 0.00 176.35 175.84 1roz s LEU 170 N -3.45 1.65 -0.13 1.79 1.43 0.42 -1.86 118.68 118.53 1roz s LEU 170 Ca 0.30 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1roz s LEU 170 Cb -0.06 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1roz s LEU 170 CO 0.17 0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.99 1roz s VAL 171 N 0.45 1.24 0.37 -1.59 1.01 -0.08 -0.63 120.40 121.17 1roz s VAL 171 Ca -0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1roz s VAL 171 Cb -0.11 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1roz s VAL 171 CO 0.01 0.39 1.22 -2.84 0.00 0.00 0.00 175.10 173.88 1roz s PRO 172 N 1.62 4.20 0.40 2.72 0.02 -1.26 -0.63 135.00 142.06 1roz s PRO 172 Ca 0.05 1.98 0.16 0.00 0.02 0.00 0.00 61.00 63.21 1roz s PRO 172 Cb -0.13 -2.86 1.04 0.00 0.02 0.00 0.00 34.50 32.57 1roz s PRO 172 CO -0.09 -0.24 1.82 -0.91 -0.33 0.00 0.00 177.00 177.25 1roz h ASN 173 N 2.99 0.47 -0.75 2.53 -0.26 -1.32 0.10 115.58 119.35 1roz h ASN 173 Ca -0.49 0.06 0.20 0.00 -0.56 0.00 0.00 56.30 55.52 1roz h ASN 173 Cb 1.23 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 38.43 1roz h ASN 173 CO 0.64 0.16 0.53 -0.08 -1.06 0.00 0.00 177.43 177.62 1roz h GLU 174 N 0.46 0.10 -0.99 0.81 4.57 -1.91 -1.13 114.58 116.49 1roz h GLU 174 Ca 0.52 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.72 1roz h GLU 174 Cb 1.24 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 1roz h GLU 174 CO -0.24 0.06 0.65 -0.91 -1.18 0.00 0.00 179.01 177.39 1roz h ASN 175 N 0.10 1.10 1.23 1.04 4.21 -1.15 -1.63 115.58 120.47 1roz h ASN 175 Ca 0.36 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.79 1roz h ASN 175 Cb 1.29 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1roz h ASN 175 CO -0.04 0.77 -0.30 1.88 -1.29 0.00 0.00 177.43 178.45 1roz h TYR 176 N 1.29 0.00 -0.09 1.19 0.05 -1.35 -1.76 116.97 116.29 1roz h TYR 176 Ca 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.12 1roz h TYR 176 Cb -0.07 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1roz h TYR 176 CO -0.00 0.30 -0.10 0.00 -1.05 0.00 0.00 178.16 177.31 1roz h LYS 178 N -0.20 1.11 -0.49 0.00 1.57 -1.25 -1.16 116.57 116.14 1roz h LYS 178 Ca 0.01 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1roz h LYS 178 Cb 0.62 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1roz h LYS 178 CO 0.02 0.74 0.31 0.35 -0.57 0.00 0.00 179.45 180.30 1roz h PHE 179 N 1.14 0.58 -0.58 -1.35 3.57 -1.18 -1.06 116.94 118.06 1roz h PHE 179 Ca 0.31 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1roz h PHE 179 Cb -0.12 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 1roz h PHE 179 CO -0.01 0.34 0.37 1.49 -2.23 0.00 0.00 178.31 178.27 1roz h GLU 180 N 0.62 0.72 -0.66 1.11 4.81 -0.34 0.27 114.58 121.11 1roz h GLU 180 Ca 0.19 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1roz h GLU 180 Cb -0.02 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1roz h GLU 180 CO -0.07 0.48 0.13 -0.44 -0.73 0.00 0.00 179.01 178.37 1roz h ASP 181 N 0.75 1.02 -0.25 1.04 3.32 -0.79 -1.58 116.42 119.92 1roz h ASP 181 Ca 0.22 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1roz h ASP 181 Cb -0.05 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 1roz h ASP 181 CO -0.07 1.00 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.97 1roz h TRP 182 N 1.01 0.71 -0.03 4.55 7.01 -0.78 -3.38 115.95 125.04 1roz h TRP 182 Ca 0.20 -0.21 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 1roz h TRP 182 Cb 0.40 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1roz h TRP 182 CO 0.03 0.91 -0.23 1.25 -2.79 0.00 0.00 178.44 177.61 1roz h LEU 183 N 0.31 0.26 -0.87 0.65 5.85 -0.35 -3.38 115.31 117.78 1roz h LEU 183 Ca 0.04 -0.68 0.22 0.00 0.84 0.00 0.00 57.88 58.29 1roz h LEU 183 Cb 0.78 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.58 1roz h LEU 183 CO 0.06 0.91 0.04 0.24 -0.34 0.00 0.00 178.44 179.35 1roz h MET 184 N -0.36 0.08 -0.41 1.25 2.86 -1.46 0.18 114.93 117.07 1roz h MET 184 Ca -0.02 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1roz h MET 184 Cb 0.91 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1roz h MET 184 CO 0.05 0.06 0.06 -1.00 1.06 0.00 0.00 176.91 177.13 1roz h PRO 185 N 0.09 0.62 -0.64 -0.22 0.13 -1.78 -1.33 132.00 128.86 1roz h PRO 185 Ca 0.50 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 65.42 1roz h PRO 185 Cb 0.96 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1roz h PRO 185 CO -0.77 0.60 0.04 0.82 -0.23 0.00 0.00 178.00 178.46 1roz h ILE 186 N 0.60 1.27 -0.25 -3.56 2.04 -0.87 -2.07 117.51 114.65 1roz h ILE 186 Ca 0.13 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 1roz h ILE 186 Cb 0.29 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1roz h ILE 186 CO 0.00 0.41 -0.19 -0.07 0.00 0.00 0.00 178.15 178.31 1roz h LEU 187 N 1.02 0.43 -0.36 1.44 3.38 -0.75 -0.34 115.31 120.13 1roz h LEU 187 Ca 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1roz h LEU 187 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1roz h LEU 187 CO 0.02 0.64 0.16 0.44 0.09 0.00 0.00 178.44 179.79 1roz h ASP 188 N 0.40 0.49 -0.49 -0.43 3.32 -0.82 -1.76 116.42 117.13 1roz h ASP 188 Ca 0.07 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1roz h ASP 188 Cb 0.56 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1roz h ASP 188 CO 0.04 0.50 0.21 1.56 -1.72 0.00 0.00 179.24 179.82 1roz h GLN 189 N 0.44 0.73 -0.57 3.56 1.08 -1.01 -1.92 115.11 117.42 1roz h GLN 189 Ca 0.12 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1roz h GLN 189 Cb 0.15 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1roz h GLN 189 CO -0.01 0.63 0.37 0.52 -0.95 0.00 0.00 178.83 179.39 1roz h MET 190 N 0.65 0.73 -0.60 1.46 2.86 -0.84 0.27 114.93 119.47 1roz h MET 190 Ca 0.17 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1roz h MET 190 Cb 0.17 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1roz h MET 190 CO -0.02 0.49 0.17 0.28 1.06 0.00 0.00 176.91 178.89 1roz h VAL 191 N 0.76 1.24 -0.10 -2.22 2.07 -1.24 0.59 116.25 117.35 1roz h VAL 191 Ca 0.21 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1roz h VAL 191 Cb -0.06 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1roz h VAL 191 CO -0.06 0.32 0.03 -0.03 0.02 0.00 0.00 177.57 177.85 1roz h MET 192 N 0.85 0.07 -0.48 1.57 -1.53 -0.79 -0.69 114.93 113.93 1roz h MET 192 Ca 0.19 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.41 1roz h MET 192 Cb 0.30 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 1roz h MET 192 CO -0.00 0.05 0.15 0.93 0.14 0.00 0.00 176.91 178.17 1roz h GLU 193 N 0.07 0.71 -0.22 0.39 5.08 -0.19 0.17 114.58 120.59 1roz h GLU 193 Ca 0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1roz h GLU 193 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1roz h GLU 193 CO -0.05 0.62 0.06 0.37 -1.00 0.00 0.00 179.01 179.00 1roz h GLN 194 N 0.69 0.35 0.04 2.33 4.15 -0.40 0.56 115.11 122.84 1roz h GLN 194 Ca 0.16 -0.08 -0.23 0.00 0.77 0.00 0.00 58.65 59.27 1roz h GLN 194 Cb 0.21 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1roz h GLN 194 CO -0.01 0.46 -1.08 -0.91 -1.93 0.00 0.00 178.83 175.36 1roz h ASN 195 N 0.17 0.15 0.00 -0.69 2.35 -0.81 -2.94 115.58 113.81 1roz h ASN 195 Ca 0.07 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 1roz h ASN 195 Cb 0.27 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1roz h ASN 195 CO 0.00 1.12 -1.87 0.35 -1.65 0.00 0.00 177.43 175.37 1roz n THR 196 N -3.42 0.51 0.40 2.81 -2.24 0.58 -4.51 114.28 108.42 1roz n THR 196 Ca -0.03 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.32 1roz n THR 196 Cb 0.97 -0.24 0.07 0.00 -2.10 0.00 0.00 70.33 69.03 1roz n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1roz n GLU 197 N -2.30 1.12 -1.86 -0.78 1.02 0.13 -5.00 120.64 112.98 1roz n GLU 197 Ca -0.14 -1.41 -0.14 0.00 -0.02 0.00 0.00 57.16 55.46 1roz n GLU 197 Cb 0.70 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.84 1roz n GLU 197 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1roz n GLY 198 N 0.71 0.57 3.77 0.62 0.00 -0.86 -4.95 105.19 105.05 1roz n GLY 198 Ca 0.08 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1roz n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1roz s VAL 199 N -2.60 2.96 -0.51 1.61 1.01 -1.07 -4.97 120.40 116.83 1roz s VAL 199 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1roz s VAL 199 Cb 0.00 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.98 1roz s VAL 199 CO 0.00 0.15 0.28 -0.54 0.00 0.00 0.00 175.10 174.99 1roz s LYS 200 N -2.01 2.10 0.47 2.72 1.02 -1.26 -4.49 119.74 118.29 1roz s LYS 200 Ca 0.53 -2.32 -0.23 0.00 0.02 0.00 0.00 55.97 53.96 1roz s LYS 200 Cb -0.35 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.39 1roz s LYS 200 CO 0.45 -1.10 1.23 -1.58 -0.92 0.00 0.00 175.35 173.44 1roz s TRP 201 N 0.25 2.73 0.13 3.18 0.52 -1.26 -4.95 118.94 119.55 1roz s TRP 201 Ca 0.14 1.48 -0.04 0.00 0.02 0.00 0.00 56.10 57.70 1roz s TRP 201 Cb -0.22 -3.53 -0.03 0.00 -1.15 0.00 0.00 33.47 28.54 1roz s TRP 201 CO -0.03 -1.93 0.12 0.95 0.02 0.00 0.00 176.95 176.08 1roz s THR 202 N -1.43 0.10 0.17 2.01 -4.23 -1.26 -1.46 115.64 109.55 1roz s THR 202 Ca 0.64 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1roz s THR 202 Cb -0.33 -1.91 0.09 0.00 1.34 0.00 0.00 72.50 71.69 1roz s THR 202 CO 0.40 -0.47 1.70 -0.65 -0.54 0.00 0.00 174.62 175.06 1roz h PRO 203 N 2.79 0.13 -0.81 3.99 0.11 -1.86 -1.42 132.00 134.95 1roz h PRO 203 Ca -0.34 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1roz h PRO 203 Cb 1.20 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1roz h PRO 203 CO 0.56 0.09 0.51 0.66 -0.21 0.00 0.00 178.00 179.61 1roz h SER 204 N 0.14 0.83 -0.43 -2.05 4.64 -1.89 0.33 113.55 115.11 1roz h SER 204 Ca 0.21 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1roz h SER 204 Cb 0.30 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1roz h SER 204 CO -0.34 0.56 0.02 0.11 -0.87 0.00 0.00 176.83 176.32 1roz h LYS 205 N 0.98 0.75 -0.85 4.77 1.57 -1.78 -1.54 116.57 120.47 1roz h LYS 205 Ca 0.33 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1roz h LYS 205 Cb 0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1roz h LYS 205 CO -0.13 0.81 0.40 1.98 -0.57 0.00 0.00 179.45 181.94 1roz h MET 206 N 0.59 1.22 -0.13 3.15 4.05 -0.84 -1.57 114.93 121.40 1roz h MET 206 Ca 0.12 -0.18 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 1roz h MET 206 Cb 0.46 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1roz h MET 206 CO 0.02 0.94 -0.31 0.82 0.23 0.00 0.00 176.91 178.61 1roz h ILE 207 N 1.21 1.27 -0.19 1.77 2.04 -0.75 0.70 117.51 123.55 1roz h ILE 207 Ca 0.29 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1roz h ILE 207 Cb 0.12 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1roz h ILE 207 CO -0.04 0.39 -0.08 0.00 0.00 0.00 0.00 178.15 178.43 1roz h ALA 208 N 1.45 0.27 -0.29 1.87 0.00 -0.93 -2.27 119.26 119.35 1roz h ALA 208 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1roz h ALA 208 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1roz h ALA 208 CO 0.05 0.08 0.15 -0.09 0.00 0.00 0.00 179.25 179.44 1roz h ARG 209 N 0.09 0.31 -0.48 0.00 9.65 -1.01 -0.66 114.38 122.28 1roz h ARG 209 Ca 0.04 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1roz h ARG 209 Cb 0.55 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1roz h ARG 209 CO 0.03 0.20 0.21 -0.07 2.80 0.00 0.00 179.97 183.14 1roz h LEU 210 N 0.32 0.61 -0.64 3.80 3.38 -0.86 0.82 115.31 122.73 1roz h LEU 210 Ca 0.12 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1roz h LEU 210 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1roz h LEU 210 CO -0.07 0.54 -0.59 1.23 0.09 0.00 0.00 178.44 179.64 1roz h GLY 211 N 0.81 0.32 0.76 0.83 0.00 -1.00 0.33 103.07 105.11 1roz h GLY 211 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1roz h GLY 211 CO -0.02 0.35 -0.10 1.70 0.00 0.00 0.00 176.54 178.47 1roz h LYS 212 N 0.22 0.35 -0.64 4.80 3.64 -0.41 -3.14 116.57 121.39 1roz h LYS 212 Ca -0.00 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1roz h LYS 212 Cb 1.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1roz h LYS 212 CO 0.09 0.69 0.32 0.93 -2.27 0.00 0.00 179.45 179.22 1roz h GLU 213 N 0.01 0.92 0.00 1.90 4.39 -0.70 -2.69 114.58 118.40 1roz h GLU 213 Ca 0.03 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1roz h GLU 213 Cb 0.60 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1roz h GLU 213 CO 0.03 0.72 -0.05 0.97 -1.16 0.00 0.00 179.01 179.52 1roz h ILE 214 N 0.88 0.49 -6.58 3.13 6.09 -0.95 -3.46 117.51 117.11 1roz h ILE 214 Ca 0.22 -0.21 -0.42 0.00 -1.37 0.00 0.00 64.86 63.08 1roz h ILE 214 Cb 0.10 1.14 -0.11 0.00 0.47 0.00 0.00 36.82 38.42 1roz h ILE 214 CO -0.03 0.05 -0.66 -3.20 -3.07 0.00 0.00 178.15 171.23 1roz n ASN 215 N -3.70 -0.16 -3.81 2.19 5.15 -1.02 -4.92 115.26 109.00 1roz n ASN 215 Ca -0.02 -0.87 -0.22 0.00 -0.60 0.00 0.00 54.58 52.87 1roz n ASN 215 Cb 0.14 -1.07 -0.17 0.00 -0.53 0.00 0.00 39.78 38.15 1roz n ASN 215 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1roz s ASN 216 N -3.96 1.31 0.00 1.20 3.84 -1.26 -5.03 114.94 111.04 1roz s ASN 216 Ca 0.08 -0.10 0.03 0.00 0.21 0.00 0.00 52.86 53.08 1roz s ASN 216 Cb -0.04 -0.43 0.13 0.00 -0.55 0.00 0.00 41.25 40.36 1roz s ASN 216 CO 0.67 -0.14 0.92 -0.81 -2.79 0.00 0.00 177.10 174.95 1roz n PRO 217 N 4.74 0.03 0.00 0.43 -0.04 -1.26 -1.29 135.00 137.61 1roz n PRO 217 Ca -0.14 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1roz n PRO 217 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 1roz n PRO 217 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1roz n GLU 218 N -1.31 0.46 -3.15 0.54 1.02 -1.26 -4.90 120.64 112.04 1roz n GLU 218 Ca 0.01 -0.29 -0.39 0.00 -0.02 0.00 0.00 57.16 56.47 1roz n GLU 218 Cb 0.02 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1roz n GLU 218 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1roz s SER 219 N -2.74 6.85 0.13 1.62 0.15 -0.41 -4.96 113.70 114.33 1roz s SER 219 Ca 0.17 1.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.65 1roz s SER 219 Cb 0.18 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1roz s SER 219 CO 0.62 -0.08 1.77 0.58 1.20 0.00 0.00 173.24 177.32 1roz h VAL 220 N 4.78 1.00 0.00 4.45 2.07 -1.88 -2.97 116.25 123.69 1roz h VAL 220 Ca -0.40 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1roz h VAL 220 Cb 1.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1roz h VAL 220 CO 0.76 0.05 -0.35 1.88 0.02 0.00 0.00 177.57 179.92 1roz h TYR 221 N 0.26 0.00 0.10 1.57 0.05 -1.93 -0.31 116.97 116.70 1roz h TYR 221 Ca 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1roz h TYR 221 Cb 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1roz h TYR 221 CO -0.09 0.35 -0.05 -0.92 -1.05 0.00 0.00 178.16 176.40 1roz h TYR 222 N 0.00 -0.12 -0.51 4.88 3.20 -1.63 -2.11 116.97 120.68 1roz h TYR 222 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1roz h TYR 222 Cb 0.81 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1roz h TYR 222 CO 0.00 -0.06 -0.08 -1.49 -1.64 0.00 0.00 178.16 174.89 1roz h TRP 223 N -0.14 1.01 -0.24 -3.82 4.06 -1.40 -1.96 115.95 113.45 1roz h TRP 223 Ca -0.01 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.79 1roz h TRP 223 Cb 0.11 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1roz h TRP 223 CO -0.07 0.95 0.03 0.00 -3.56 0.00 0.00 178.44 175.79 1roz h ALA 224 N 1.07 0.24 -0.08 1.49 0.00 -0.85 0.23 119.26 121.36 1roz h ALA 224 Ca 0.14 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1roz h ALA 224 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1roz h ALA 224 CO 0.04 -0.39 -0.54 -0.56 0.00 0.00 0.00 179.25 177.80 1roz h GLN 225 N 0.12 0.22 -0.37 0.00 -0.00 -1.32 0.27 115.11 114.03 1roz h GLN 225 Ca 0.11 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 1roz h GLN 225 Cb 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.61 1roz h GLN 225 CO -0.17 0.71 0.08 -0.22 -0.00 0.00 0.00 178.83 179.23 1roz h LYS 226 N 0.17 0.60 -0.44 0.06 3.64 -0.79 -2.95 116.57 116.87 1roz h LYS 226 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1roz h LYS 226 Cb 1.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1roz h LYS 226 CO 0.08 0.65 0.00 0.09 -2.27 0.00 0.00 179.45 178.01 1roz n ASN 227 N -4.57 2.14 -3.56 4.20 3.02 0.75 -4.93 115.26 112.31 1roz n ASN 227 Ca -0.01 -2.08 -0.25 0.00 -0.03 0.00 0.00 54.58 52.21 1roz n ASN 227 Cb 0.21 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1roz n ASN 227 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1roz n HIS 228 N 0.49 -2.70 -3.55 3.10 8.25 -0.56 -4.92 115.22 115.33 1roz n HIS 228 Ca 0.12 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 58.10 1roz n HIS 228 Cb 0.37 -4.84 -0.11 0.00 1.12 0.00 0.00 29.99 26.54 1roz n HIS 228 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1roz s ILE 229 N -3.30 4.83 0.46 1.59 1.01 0.85 -4.67 121.20 121.97 1roz s ILE 229 Ca 0.56 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 1roz s ILE 229 Cb -0.25 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1roz s ILE 229 CO 0.69 -0.27 1.14 -2.16 0.00 0.00 0.00 174.94 174.34 1roz s PRO 230 N 1.60 3.81 -0.14 2.79 0.04 -1.26 -4.35 135.00 137.49 1roz s PRO 230 Ca 0.03 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1roz s PRO 230 Cb -0.19 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 31.97 1roz s PRO 230 CO 0.08 -0.49 -0.18 0.08 0.04 0.00 0.00 177.00 176.53 1roz s VAL 231 N -1.60 1.81 -0.06 -0.36 1.01 -1.26 -1.29 120.40 118.65 1roz s VAL 231 Ca 0.63 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1roz s VAL 231 Cb -0.27 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1roz s VAL 231 CO 0.32 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.58 1roz s PHE 232 N 1.13 3.17 -0.46 5.22 0.08 -0.10 -3.58 117.98 123.44 1roz s PHE 232 Ca -0.01 0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.30 1roz s PHE 232 Cb -0.14 -1.77 0.18 0.00 -0.57 0.00 0.00 43.02 40.73 1roz s PHE 232 CO -0.07 0.48 0.67 0.45 -0.10 0.00 0.00 175.22 176.65 1roz s SER 233 N -1.10 -1.44 0.50 1.36 0.15 -1.26 -2.23 113.70 109.68 1roz s SER 233 Ca 0.15 -1.21 0.15 0.00 0.70 0.00 0.00 55.95 55.74 1roz s SER 233 Cb -0.11 1.90 1.20 0.00 -1.71 0.00 0.00 66.02 67.29 1roz s SER 233 CO 0.05 -0.12 2.11 -0.65 1.20 0.00 0.00 173.24 175.83 1roz h PRO 234 N 6.15 0.12 -1.82 5.44 0.11 -1.97 -2.70 132.00 137.33 1roz h PRO 234 Ca 0.06 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.46 1roz h PRO 234 Cb 1.15 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 31.90 1roz h PRO 234 CO 0.07 0.08 0.32 0.00 -0.21 0.00 0.00 178.00 178.26 1roz n ALA 235 N -2.54 5.91 0.31 -0.75 0.00 -1.26 -4.78 120.51 117.39 1roz n ALA 235 Ca 0.00 -4.22 0.20 0.00 0.00 0.00 0.00 53.44 49.42 1roz n ALA 235 Cb 0.15 -1.40 1.01 0.00 0.00 0.00 0.00 19.45 19.21 1roz n ALA 235 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1roz h LEU 236 N 2.86 0.00 -0.03 0.00 5.85 -1.86 -2.27 115.31 119.85 1roz h LEU 236 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1roz h LEU 236 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1roz h LEU 236 CO 1.19 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.64 1roz n THR 237 N -2.94 0.31 -1.65 1.05 -2.24 -1.26 -4.24 114.28 103.29 1roz n THR 237 Ca -0.02 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 1roz n THR 237 Cb 0.12 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 1roz n THR 237 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1roz n ASP 238 N -1.78 7.75 0.00 3.42 2.03 -0.85 -3.88 116.55 123.25 1roz n ASP 238 Ca 0.06 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1roz n ASP 238 Cb 0.35 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1roz n ASP 238 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1roz n GLY 239 N 2.97 -0.66 0.31 0.27 0.00 -1.26 -4.52 105.19 102.29 1roz n GLY 239 Ca 0.68 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1roz n GLY 239 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1roz h SER 240 N 0.00 0.93 -0.30 1.61 0.87 -1.91 -1.01 113.55 113.74 1roz h SER 240 Ca 0.00 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1roz h SER 240 Cb 0.00 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1roz h SER 240 CO 0.00 0.72 0.19 0.25 -0.53 0.00 0.00 176.83 177.45 1roz h LEU 241 N 1.06 0.36 -0.35 2.23 5.85 -1.91 0.07 115.31 122.62 1roz h LEU 241 Ca 0.28 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 1roz h LEU 241 Cb -0.04 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1roz h LEU 241 CO -0.05 0.28 -0.38 1.23 -0.34 0.00 0.00 178.44 179.18 1roz h GLY 242 N 0.46 0.96 0.53 3.75 0.00 -1.38 -0.90 103.07 106.48 1roz h GLY 242 Ca 0.11 -1.00 0.04 0.00 0.00 0.00 0.00 47.33 46.48 1roz h GLY 242 CO -0.02 0.90 -0.13 -0.55 0.00 0.00 0.00 176.54 176.74 1roz h ASP 243 N 0.68 -0.41 -0.29 0.19 3.32 0.14 0.20 116.42 120.24 1roz h ASP 243 Ca 0.05 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1roz h ASP 243 Cb 0.98 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1roz h ASP 243 CO 0.09 -0.18 0.17 0.24 -1.72 0.00 0.00 179.24 177.85 1roz h MET 244 N -0.17 0.40 -0.84 3.56 2.86 -0.93 -0.37 114.93 119.44 1roz h MET 244 Ca 0.09 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1roz h MET 244 Cb 0.29 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1roz h MET 244 CO -0.21 0.33 0.53 0.82 1.06 0.00 0.00 176.91 179.43 1roz h ILE 245 N 0.36 1.06 0.32 -1.22 2.04 -0.93 0.31 117.51 119.47 1roz h ILE 245 Ca 0.10 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1roz h ILE 245 Cb 0.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1roz h ILE 245 CO -0.02 0.18 -0.16 0.15 0.00 0.00 0.00 178.15 178.30 1roz h PHE 246 N 0.98 -0.40 -0.15 1.37 3.57 -0.34 0.11 116.94 122.08 1roz h PHE 246 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1roz h PHE 246 Cb 0.13 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1roz h PHE 246 CO -0.03 -0.23 0.07 0.74 -2.23 0.00 0.00 178.31 176.63 1roz h PHE 247 N -0.46 0.21 -0.98 0.41 0.04 -0.74 -2.81 116.94 112.61 1roz h PHE 247 Ca -0.04 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.81 1roz h PHE 247 Cb 0.35 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.36 1roz h PHE 247 CO -0.05 0.25 0.62 1.25 -0.60 0.00 0.00 178.31 179.78 1roz h HIS 248 N 0.11 1.13 -0.03 -0.55 2.76 -0.28 -1.62 115.15 116.67 1roz h HIS 248 Ca 0.05 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1roz h HIS 248 Cb 0.12 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 1roz h HIS 248 CO -0.03 0.50 0.16 0.66 -1.30 0.00 0.00 177.93 177.92 1roz h SER 249 N 1.04 0.00 1.40 3.26 4.64 -0.49 0.12 113.55 123.51 1roz h SER 249 Ca 0.46 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.68 1roz h SER 249 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1roz h SER 249 CO -0.23 0.00 -0.61 1.88 -0.87 0.00 0.00 176.83 177.00 1roz h TYR 250 N 0.00 0.00 0.03 4.77 0.05 -1.35 -2.25 116.97 118.22 1roz h TYR 250 Ca 0.01 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.41 1roz h TYR 250 Cb 0.32 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.01 1roz h TYR 250 CO 0.00 0.48 -2.23 0.36 -1.05 0.00 0.00 178.16 175.72 1roz n LYS 251 N -3.16 0.65 -3.81 4.88 2.85 -0.43 -4.70 118.16 114.43 1roz n LYS 251 Ca 0.00 0.26 -0.28 0.00 -1.05 0.00 0.00 58.31 57.25 1roz n LYS 251 Cb 0.74 -1.59 -0.12 0.00 -0.65 0.00 0.00 35.03 33.41 1roz n LYS 251 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1roz s ASN 252 N -6.94 4.18 0.66 -5.58 3.84 0.29 -5.11 114.94 106.28 1roz s ASN 252 Ca -0.32 -3.61 -0.15 0.00 0.21 0.00 0.00 52.86 48.99 1roz s ASN 252 Cb 0.10 -1.41 0.00 0.00 -0.55 0.00 0.00 41.25 39.39 1roz s ASN 252 CO 0.61 -0.12 1.10 -2.16 -2.79 0.00 0.00 177.10 173.74 1roz s PRO 253 N -1.04 2.79 0.00 0.43 0.04 -0.84 -4.21 135.00 132.17 1roz s PRO 253 Ca 0.25 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1roz s PRO 253 Cb -0.06 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1roz s PRO 253 CO -0.15 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1roz n GLY 254 N -0.64 1.83 3.70 0.56 0.00 -1.26 -5.06 105.19 104.31 1roz n GLY 254 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1roz n GLY 254 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1roz n LEU 255 N 0.00 4.04 -4.28 0.99 7.94 -1.26 -4.99 117.00 119.44 1roz n LEU 255 Ca 0.00 1.00 -0.33 0.00 -1.11 0.00 0.00 56.01 55.58 1roz n LEU 255 Cb 0.00 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.24 1roz n LEU 255 CO 0.00 0.18 -0.50 -0.69 -1.11 0.00 0.00 177.39 175.26 1roz s VAL 256 N 2.41 2.52 -0.33 1.96 1.01 -1.26 -5.09 120.40 121.62 1roz s VAL 256 Ca 0.81 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1roz s VAL 256 Cb -0.49 -2.02 0.09 0.00 0.00 0.00 0.00 36.38 33.96 1roz s VAL 256 CO 0.36 0.54 0.04 -0.76 0.00 0.00 0.00 175.10 175.28 1roz s LEU 257 N 0.45 4.46 -0.05 3.92 1.43 -1.26 -4.10 118.68 123.53 1roz s LEU 257 Ca -0.13 -1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 50.88 1roz s LEU 257 Cb -0.17 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1roz s LEU 257 CO 0.06 -0.35 0.72 -0.62 0.23 0.00 0.00 176.35 176.38 1roz s ASP 258 N 1.17 7.02 0.00 2.29 2.15 -0.53 -4.89 116.67 123.88 1roz s ASP 258 Ca 0.04 1.23 0.22 0.00 0.43 0.00 0.00 52.55 54.48 1roz s ASP 258 Cb -0.20 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1roz s ASP 258 CO -0.06 -0.11 1.09 2.30 -0.17 0.00 0.00 175.17 178.22 1roz n ILE 259 N 3.71 0.00 -0.04 4.11 -5.35 -1.26 -4.20 119.36 116.33 1roz n ILE 259 Ca -0.01 -0.06 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 1roz n ILE 259 Cb 0.51 0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 39.18 1roz n ILE 259 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1roz h VAL 260 N 0.52 1.40 -0.81 7.28 2.07 -1.99 -2.87 116.25 121.85 1roz h VAL 260 Ca 0.00 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.07 1roz h VAL 260 Cb 0.55 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1roz h VAL 260 CO 0.00 0.42 0.52 -0.08 0.02 0.00 0.00 177.57 178.45 1roz h GLU 261 N -0.18 0.98 0.00 1.57 4.57 -1.99 -1.62 114.58 117.91 1roz h GLU 261 Ca 0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1roz h GLU 261 Cb 0.77 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1roz h GLU 261 CO 0.04 0.65 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.99 1roz h ASP 262 N 1.01 0.00 -0.03 1.04 5.19 -1.75 -1.15 116.42 120.73 1roz h ASP 262 Ca 0.33 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.48 1roz h ASP 262 Cb 0.02 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.55 1roz h ASP 262 CO -0.12 0.08 -0.98 0.25 -3.12 0.00 0.00 179.24 175.36 1roz h LEU 263 N 0.00 0.92 -0.18 1.55 5.85 -1.06 -2.05 115.31 120.33 1roz h LEU 263 Ca -0.00 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.01 1roz h LEU 263 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1roz h LEU 263 CO 0.01 1.50 0.08 0.03 -0.34 0.00 0.00 178.44 179.72 1roz h ARG 264 N 0.43 0.27 -0.18 1.25 3.08 -1.12 -1.30 114.38 116.81 1roz h ARG 264 Ca -0.11 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1roz h ARG 264 Cb 1.62 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 1roz h ARG 264 CO 0.19 0.32 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.28 1roz h LEU 265 N 0.15 -0.22 -0.57 3.04 3.38 -1.23 -0.39 115.31 119.48 1roz h LEU 265 Ca 0.06 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1roz h LEU 265 Cb 0.15 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1roz h LEU 265 CO -0.01 -0.08 -0.43 -0.29 0.09 0.00 0.00 178.44 177.72 1roz h ILE 266 N -0.03 1.30 -0.47 1.22 2.10 -1.31 -2.93 117.51 117.39 1roz h ILE 266 Ca 0.09 -1.61 -0.06 0.00 1.08 0.00 0.00 64.86 64.36 1roz h ILE 266 Cb 0.17 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 37.43 1roz h ILE 266 CO -0.20 0.52 0.06 0.78 -1.08 0.00 0.00 178.15 178.22 1roz h ASN 267 N 0.53 0.76 0.11 2.19 2.35 -0.98 -2.80 115.58 117.74 1roz h ASN 267 Ca 0.04 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1roz h ASN 267 Cb 0.96 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1roz h ASN 267 CO 0.09 0.84 -0.10 0.71 -1.65 0.00 0.00 177.43 177.32 1roz h THR 268 N 0.65 1.04 -0.24 2.81 1.35 -1.05 -0.75 112.91 116.72 1roz h THR 268 Ca 0.14 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.62 1roz h THR 268 Cb 0.41 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1roz h THR 268 CO 0.01 0.10 -0.00 1.56 -0.25 0.00 0.00 175.52 176.94 1roz h GLN 269 N 0.00 0.36 0.11 4.72 1.08 -1.30 -2.28 115.11 117.81 1roz h GLN 269 Ca -0.00 -0.06 -0.23 0.00 -1.45 0.00 0.00 58.65 56.91 1roz h GLN 269 Cb 0.18 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1roz h GLN 269 CO 0.01 0.39 -1.12 0.00 -0.95 0.00 0.00 178.83 177.16 1roz h ALA 270 N 1.66 0.07 -0.69 3.87 0.00 -1.28 -3.35 119.26 119.55 1roz h ALA 270 Ca 0.08 -0.92 0.07 0.00 0.00 0.00 0.00 54.91 54.14 1roz h ALA 270 Cb 0.24 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1roz h ALA 270 CO 0.01 0.62 0.36 0.82 0.00 0.00 0.00 179.25 181.06 1roz h ILE 271 N -0.39 0.92 -0.60 0.00 2.04 -1.05 -2.82 117.51 115.61 1roz h ILE 271 Ca -0.23 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 1roz h ILE 271 Cb 1.66 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1roz h ILE 271 CO 0.08 0.12 0.17 0.49 0.00 0.00 0.00 178.15 179.01 1roz n PHE 272 N -4.82 2.02 -3.26 1.37 3.72 -0.87 -4.94 117.46 110.69 1roz n PHE 272 Ca 0.09 -0.93 -0.36 0.00 -0.05 0.00 0.00 57.45 56.21 1roz n PHE 272 Cb 0.21 -0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 38.12 1roz n PHE 272 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1roz s ALA 273 N -2.58 3.53 0.07 4.37 0.00 -1.06 -3.87 121.76 122.22 1roz s ALA 273 Ca 0.47 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 1roz s ALA 273 Cb 0.37 -2.64 -0.12 0.00 0.00 0.00 0.00 23.12 20.72 1roz s ALA 273 CO 0.12 0.40 1.35 -0.22 0.00 0.00 0.00 175.76 177.42 1roz h LYS 274 N 3.68 0.59 -3.69 0.00 3.64 -1.82 -3.46 116.57 115.51 1roz h LYS 274 Ca -0.48 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 58.45 1roz h LYS 274 Cb 1.20 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 1roz h LYS 274 CO 0.65 0.96 -0.34 0.00 -2.27 0.00 0.00 179.45 178.45 1roz s THR 276 N -3.50 0.34 0.02 0.00 -4.23 -1.26 -0.70 115.64 106.32 1roz s THR 276 Ca 0.02 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1roz s THR 276 Cb 0.03 -0.40 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 1roz s THR 276 CO -0.09 -0.29 -0.15 -0.83 -0.54 0.00 0.00 174.62 172.72 1roz s GLY 277 N -1.12 0.82 -0.11 3.99 0.00 -0.36 -1.27 107.32 109.27 1roz s GLY 277 Ca -0.08 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1roz s GLY 277 CO -0.00 -0.74 -0.23 1.06 0.00 0.00 0.00 173.10 173.19 1roz s MET 278 N -0.89 2.96 -0.26 2.90 -1.94 0.39 -0.70 119.30 121.76 1roz s MET 278 Ca 0.04 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 1roz s MET 278 Cb -0.07 -2.27 0.07 0.00 2.01 0.00 0.00 34.83 34.57 1roz s MET 278 CO 0.01 0.13 -0.03 0.42 -0.01 0.00 0.00 175.02 175.54 1roz s ILE 279 N 0.46 1.61 -0.17 2.53 1.01 -0.15 -0.42 121.20 126.08 1roz s ILE 279 Ca -0.16 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.09 1roz s ILE 279 Cb -0.17 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1roz s ILE 279 CO 0.06 -0.21 -0.20 -0.63 0.00 0.00 0.00 174.94 173.97 1roz s ILE 280 N 1.33 2.13 -0.34 2.92 1.01 -0.59 -1.10 121.20 126.57 1roz s ILE 280 Ca -0.03 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1roz s ILE 280 Cb -0.19 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1roz s ILE 280 CO -0.08 0.54 0.18 -0.76 0.00 0.00 0.00 174.94 174.82 1roz s LEU 281 N 1.16 4.38 0.00 2.97 1.43 0.21 -1.16 118.68 127.66 1roz s LEU 281 Ca 0.02 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1roz s LEU 281 Cb -0.14 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1roz s LEU 281 CO -0.09 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1roz n GLY 282 N 5.00 -3.10 0.00 -3.19 0.00 0.22 -2.90 105.19 101.22 1roz n GLY 282 Ca -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1roz n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1roz n GLY 283 N -0.42 6.67 3.52 -0.02 0.00 -1.26 -4.66 105.19 109.02 1roz n GLY 283 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1roz n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1roz n GLY 284 N 3.48 -0.51 0.37 -0.02 0.00 -1.26 -4.25 105.19 103.00 1roz n GLY 284 Ca 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.58 1roz n GLY 284 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1roz h VAL 285 N 0.00 0.94 -0.60 1.61 2.07 -1.99 -2.39 116.25 115.89 1roz h VAL 285 Ca 0.00 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1roz h VAL 285 Cb 0.00 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.59 1roz h VAL 285 CO 0.00 0.18 0.38 0.58 0.02 0.00 0.00 177.57 178.73 1roz h VAL 286 N 0.99 1.11 0.27 2.57 2.07 -1.93 0.38 116.25 121.72 1roz h VAL 286 Ca 0.48 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1roz h VAL 286 Cb 0.46 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1roz h VAL 286 CO -0.25 0.14 -0.13 0.50 0.02 0.00 0.00 177.57 177.85 1roz h LYS 287 N 0.76 -0.35 -0.42 1.57 3.64 -1.65 -3.22 116.57 116.89 1roz h LYS 287 Ca 0.23 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1roz h LYS 287 Cb -0.03 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1roz h LYS 287 CO -0.08 -0.01 -0.03 1.25 -2.27 0.00 0.00 179.45 178.31 1roz h HIS 288 N -0.78 0.75 -0.70 1.91 2.76 -1.41 -1.94 115.15 115.74 1roz h HIS 288 Ca -0.04 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 57.97 1roz h HIS 288 Cb 0.51 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1roz h HIS 288 CO 0.04 0.73 0.20 1.25 -1.30 0.00 0.00 177.93 178.84 1roz h HIS 289 N 0.66 1.13 -0.03 5.26 2.76 -1.03 0.23 115.15 124.13 1roz h HIS 289 Ca 0.13 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1roz h HIS 289 Cb 0.46 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1roz h HIS 289 CO 0.02 0.91 -0.07 0.82 -1.30 0.00 0.00 177.93 178.31 1roz h ILE 290 N 1.04 1.44 -0.77 6.26 2.04 -1.54 -2.39 117.51 123.59 1roz h ILE 290 Ca 0.22 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.74 1roz h ILE 290 Cb 0.32 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 1roz h ILE 290 CO -0.00 0.37 0.47 0.00 0.00 0.00 0.00 178.15 178.99 1roz h ALA 291 N 0.46 1.03 -0.35 1.87 0.00 -1.20 -2.11 119.26 118.96 1roz h ALA 291 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1roz h ALA 291 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1roz h ALA 291 CO 0.01 0.21 -0.17 -0.97 0.00 0.00 0.00 179.25 178.33 1roz h ASN 292 N 0.87 0.63 -0.70 0.00 -1.24 -0.57 -0.91 115.58 113.67 1roz h ASN 292 Ca 0.33 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 1roz h ASN 292 Cb 0.12 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1roz h ASN 292 CO -0.15 0.82 0.18 0.00 -1.29 0.00 0.00 177.43 176.99 1roz h ALA 293 N 1.24 0.98 0.00 1.57 0.00 -0.91 -2.63 119.26 119.52 1roz h ALA 293 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1roz h ALA 293 Cb 0.62 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1roz h ALA 293 CO 0.04 0.66 -0.11 -0.91 0.00 0.00 0.00 179.25 178.93 1roz h ASN 294 N 1.07 0.00 0.12 0.00 2.35 -0.87 -2.65 115.58 115.60 1roz h ASN 294 Ca 0.22 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1roz h ASN 294 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1roz h ASN 294 CO -0.00 0.11 -0.17 0.25 -1.65 0.00 0.00 177.43 175.97 1roz h LEU 295 N 0.00 0.10 -1.76 1.61 5.85 -0.79 0.34 115.31 120.66 1roz h LEU 295 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1roz h LEU 295 Cb 0.73 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1roz h LEU 295 CO 0.01 0.29 0.00 0.24 -0.34 0.00 0.00 178.44 178.64 1roz h MET 296 N 0.10 0.00 -0.23 1.25 2.86 -1.46 0.10 114.93 117.56 1roz h MET 296 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1roz h MET 296 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1roz h MET 296 CO 0.02 0.00 0.00 2.89 1.06 0.00 0.00 176.91 180.88 1roz n ARG 297 N -2.68 2.78 -2.39 1.72 1.85 -0.77 -4.80 116.66 112.38 1roz n ARG 297 Ca -0.01 -2.17 -0.09 0.00 -1.00 0.00 0.00 57.85 54.57 1roz n ARG 297 Cb 0.14 -1.37 0.01 0.00 -1.05 0.00 0.00 32.46 30.19 1roz n ARG 297 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1roz n ASN 298 N -0.08 -3.36 0.00 2.89 2.85 0.36 -4.92 115.26 113.02 1roz n ASN 298 Ca 0.12 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1roz n ASN 298 Cb 0.52 -2.45 0.00 0.00 1.24 0.00 0.00 39.78 39.09 1roz n ASN 298 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1roz n GLY 299 N -1.05 2.98 3.84 8.20 0.00 0.11 -4.36 105.19 114.91 1roz n GLY 299 Ca -0.08 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1roz n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1roz s ALA 300 N -1.60 3.13 0.02 4.61 0.00 -0.74 -4.50 121.76 122.69 1roz s ALA 300 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.27 1roz s ALA 300 Cb 0.00 -3.03 -0.20 0.00 0.00 0.00 0.00 23.12 19.89 1roz s ALA 300 CO 0.00 0.03 1.00 -0.44 0.00 0.00 0.00 175.76 176.35 1roz h ASP 301 N 1.59 0.00 -4.34 0.00 3.32 -1.55 -2.05 116.42 113.39 1roz h ASP 301 Ca -0.48 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.33 1roz h ASP 301 Cb 1.18 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 1roz h ASP 301 CO 0.62 0.96 -0.72 -0.31 -1.72 0.00 0.00 179.24 178.06 1roz s TYR 302 N -2.68 0.30 -0.17 4.55 1.51 -0.92 -4.51 117.35 115.42 1roz s TYR 302 Ca -0.01 -0.27 -0.10 0.00 -1.01 0.00 0.00 57.07 55.68 1roz s TYR 302 Cb 0.09 -0.20 0.06 0.00 -0.11 0.00 0.00 41.96 41.80 1roz s TYR 302 CO 0.82 -0.07 0.42 0.00 -1.11 0.00 0.00 175.55 175.60 1roz s ALA 303 N -0.72 -1.07 -0.07 3.71 0.00 -1.26 -0.46 121.76 121.89 1roz s ALA 303 Ca -0.06 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1roz s ALA 303 Cb -0.05 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1roz s ALA 303 CO -0.00 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.51 1roz s VAL 304 N 1.37 0.75 -0.01 0.00 1.01 0.44 -1.23 120.40 122.73 1roz s VAL 304 Ca -0.09 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1roz s VAL 304 Cb -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1roz s VAL 304 CO -0.12 0.29 -0.22 -0.31 0.00 0.00 0.00 175.10 174.73 1roz s TYR 305 N 1.21 2.44 -0.28 5.22 1.51 0.12 -1.54 117.35 126.03 1roz s TYR 305 Ca -0.06 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1roz s TYR 305 Cb -0.14 -1.51 0.09 0.00 -0.11 0.00 0.00 41.96 40.29 1roz s TYR 305 CO -0.02 0.07 0.08 0.42 -1.11 0.00 0.00 175.55 174.99 1roz s ILE 306 N -0.70 0.69 0.14 2.71 1.01 -0.31 0.34 121.20 125.08 1roz s ILE 306 Ca 0.11 -1.13 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 1roz s ILE 306 Cb -0.10 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1roz s ILE 306 CO 0.00 -0.57 0.39 0.54 0.00 0.00 0.00 174.94 175.30 1roz s ASN 307 N 1.73 -0.17 0.00 3.58 2.20 -0.97 -0.61 114.94 120.69 1roz s ASN 307 Ca 0.07 -0.44 0.23 0.00 -0.94 0.00 0.00 52.86 51.78 1roz s ASN 307 Cb -0.17 0.47 0.13 0.00 -2.00 0.00 0.00 41.25 39.68 1roz s ASN 307 CO -0.23 -0.88 1.16 0.35 -2.94 0.00 0.00 177.10 174.56 1roz n THR 308 N -0.23 0.00 -1.53 0.54 -2.24 -1.26 -2.82 114.28 106.75 1roz n THR 308 Ca -0.14 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1roz n THR 308 Cb 0.63 0.76 0.08 0.00 -2.10 0.00 0.00 70.33 69.70 1roz n THR 308 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1roz s ALA 309 N -2.85 2.20 0.23 6.98 0.00 -1.26 -4.96 121.76 122.10 1roz s ALA 309 Ca 0.13 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.02 1roz s ALA 309 Cb 0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1roz s ALA 309 CO 0.73 -1.73 -0.13 -0.65 0.00 0.00 0.00 175.76 173.98 1roz s GLN 310 N -3.90 1.91 0.18 0.00 -1.52 -1.26 -4.71 119.66 110.36 1roz s GLN 310 Ca 0.73 -1.48 0.12 0.00 -1.95 0.00 0.00 55.36 52.78 1roz s GLN 310 Cb -0.28 -2.00 -0.07 0.00 -0.22 0.00 0.00 33.01 30.45 1roz s GLN 310 CO 0.44 0.38 1.26 1.05 -0.25 0.00 0.00 175.29 178.17 1roz h GLU 311 N 2.56 0.00 -1.29 2.91 4.11 -1.77 -3.35 114.58 117.76 1roz h GLU 311 Ca -0.44 0.00 0.37 0.00 0.07 0.00 0.00 59.36 59.36 1roz h GLU 311 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1roz h GLU 311 CO 0.56 0.63 1.00 0.27 0.07 0.00 0.00 179.01 181.54 1roz h PHE 312 N 0.00 0.00 -0.17 2.06 -0.00 -1.96 0.93 116.94 117.80 1roz h PHE 312 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.93 1roz h PHE 312 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.53 1roz h PHE 312 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 177.91 1roz n ASP 313 N -3.96 1.43 -0.11 -0.68 5.68 -1.26 -4.92 116.55 112.73 1roz n ASP 313 Ca 0.28 -1.74 -0.01 0.00 -0.50 0.00 0.00 54.79 52.82 1roz n ASP 313 Cb 1.41 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 41.27 1roz n ASP 313 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1roz n GLY 314 N 1.05 0.39 3.79 6.12 0.00 0.32 -4.99 105.19 111.87 1roz n GLY 314 Ca 0.14 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1roz n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1roz s SER 315 N -2.13 5.79 0.12 1.61 1.04 -1.26 -4.95 113.70 113.92 1roz s SER 315 Ca 0.00 1.96 -0.13 0.00 0.48 0.00 0.00 55.95 58.26 1roz s SER 315 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 1roz s SER 315 CO 0.00 -1.17 1.45 -0.78 0.98 0.00 0.00 173.24 173.72 1roz h ASP 316 N 0.82 0.90 -0.61 7.02 3.58 -1.95 -2.29 116.42 123.88 1roz h ASP 316 Ca -0.48 -0.47 0.11 0.00 0.42 0.00 0.00 57.03 56.60 1roz h ASP 316 Cb 1.23 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.95 1roz h ASP 316 CO 0.57 1.18 0.18 0.28 -2.88 0.00 0.00 179.24 178.57 1roz h SER 317 N 0.62 0.10 0.20 2.28 0.02 -1.92 -2.00 113.55 112.85 1roz h SER 317 Ca 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1roz h SER 317 Cb 0.93 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1roz h SER 317 CO 0.09 0.06 -0.08 0.61 -1.14 0.00 0.00 176.83 176.37 1roz n GLY 318 N -1.31 -0.71 3.76 -3.77 0.00 -1.19 -4.68 105.19 97.30 1roz n GLY 318 Ca 0.09 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1roz n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1roz s ALA 319 N -2.28 3.51 0.74 4.61 0.00 -0.75 -2.04 121.76 125.55 1roz s ALA 319 Ca 0.34 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 1roz s ALA 319 Cb 0.21 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1roz s ALA 319 CO 0.43 -0.63 1.09 1.03 0.00 0.00 0.00 175.76 177.68 1roz s ARG 320 N -1.49 2.44 0.45 0.00 0.52 -1.26 -4.92 118.95 114.70 1roz s ARG 320 Ca 0.51 1.19 0.14 0.00 -0.52 0.00 0.00 55.73 57.04 1roz s ARG 320 Cb -0.40 -1.92 1.07 0.00 0.52 0.00 0.00 34.95 34.23 1roz s ARG 320 CO 0.50 -1.51 2.02 -1.35 0.02 0.00 0.00 175.30 174.99 1roz h PRO 321 N -0.85 0.32 -0.07 3.54 0.11 -1.95 -1.01 132.00 132.10 1roz h PRO 321 Ca -0.44 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1roz h PRO 321 Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1roz h PRO 321 CO 0.52 0.21 0.09 0.22 -0.21 0.00 0.00 178.00 178.84 1roz h ASP 322 N 0.33 0.00 -0.42 -2.05 3.58 -1.97 0.13 116.42 116.03 1roz h ASP 322 Ca 0.21 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.53 1roz h ASP 322 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1roz h ASP 322 CO -0.05 0.00 -0.24 -0.08 -2.88 0.00 0.00 179.24 175.99 1roz h GLU 323 N 0.00 0.91 -0.07 0.28 4.81 -1.53 -2.86 114.58 116.12 1roz h GLU 323 Ca 0.03 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1roz h GLU 323 Cb 0.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1roz h GLU 323 CO -0.00 1.06 -0.17 0.00 -0.73 0.00 0.00 179.01 179.18 1roz h ALA 324 N 0.82 1.60 -0.89 2.92 0.00 -0.83 -2.18 119.26 120.70 1roz h ALA 324 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1roz h ALA 324 Cb 0.81 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1roz h ALA 324 CO 0.07 0.30 0.48 0.28 0.00 0.00 0.00 179.25 180.37 1roz h VAL 325 N 0.10 1.26 -0.34 0.00 2.07 -1.18 -1.11 116.25 117.06 1roz h VAL 325 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1roz h VAL 325 Cb 0.36 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1roz h VAL 325 CO 0.02 0.30 0.18 0.77 0.02 0.00 0.00 177.57 178.86 1roz h SER 326 N 1.25 0.40 1.51 0.57 4.64 -1.29 -2.18 113.55 118.46 1roz h SER 326 Ca 0.31 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1roz h SER 326 Cb 0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1roz h SER 326 CO -0.05 0.33 -0.50 -0.50 -0.87 0.00 0.00 176.83 175.24 1roz h TRP 327 N 0.46 0.00 0.00 4.77 4.06 -1.44 -3.47 115.95 120.33 1roz h TRP 327 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1roz h TRP 327 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1roz h TRP 327 CO 0.00 0.40 0.00 0.41 -3.56 0.00 0.00 178.44 175.69 1roz n GLY 328 N 1.21 0.86 0.17 1.49 0.00 -0.79 -4.96 105.19 103.18 1roz n GLY 328 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1roz n GLY 328 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1roz h LYS 329 N 1.59 0.00 -4.29 1.61 1.57 -1.47 -1.74 116.57 113.84 1roz h LYS 329 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1roz h LYS 329 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 31.96 1roz h LYS 329 CO 0.00 0.36 -0.80 0.42 -0.57 0.00 0.00 179.45 178.86 1roz s ILE 330 N -3.20 0.91 0.49 1.86 1.01 -1.23 -1.79 121.20 119.25 1roz s ILE 330 Ca 0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1roz s ILE 330 Cb 0.08 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.59 1roz s ILE 330 CO 0.70 0.32 1.13 0.54 0.00 0.00 0.00 174.94 177.63 1roz n ARG 331 N 4.20 1.44 0.06 2.79 1.74 -0.77 -4.38 116.66 121.75 1roz n ARG 331 Ca -0.20 0.53 0.05 0.00 -0.77 0.00 0.00 57.85 57.46 1roz n ARG 331 Cb 0.51 -2.26 0.49 0.00 -1.02 0.00 0.00 32.46 30.18 1roz n ARG 331 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1roz h VAL 332 N 1.38 1.07 0.00 1.55 2.07 -1.89 -2.06 116.25 118.37 1roz h VAL 332 Ca -0.48 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1roz h VAL 332 Cb 1.33 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1roz h VAL 332 CO 0.56 0.07 -0.07 -0.90 0.02 0.00 0.00 177.57 177.25 1roz n ASP 333 N -4.49 0.22 -4.72 0.57 5.75 -1.26 -4.90 116.55 107.72 1roz n ASP 333 Ca 0.02 0.43 -0.31 0.00 -0.01 0.00 0.00 54.79 54.92 1roz n ASP 333 Cb 0.08 -0.46 0.13 0.00 -1.03 0.00 0.00 41.12 39.84 1roz n ASP 333 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1roz s ALA 334 N -3.02 1.79 -0.56 2.12 0.00 -0.78 -5.00 121.76 116.31 1roz s ALA 334 Ca 0.13 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1roz s ALA 334 Cb 0.17 -3.30 0.25 0.00 0.00 0.00 0.00 23.12 20.25 1roz s ALA 334 CO 0.56 -2.23 0.69 1.04 0.00 0.00 0.00 175.76 175.83 1roz n GLN 335 N -3.84 2.04 -1.32 0.00 6.02 -1.26 -5.00 117.38 114.01 1roz n GLN 335 Ca 0.09 -4.26 -0.35 0.00 -0.01 0.00 0.00 57.00 52.47 1roz n GLN 335 Cb 0.53 -1.96 0.10 0.00 1.02 0.00 0.00 30.24 29.93 1roz n GLN 335 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1roz n PRO 336 N 0.95 0.50 -4.14 -1.09 -0.04 -1.26 -4.80 135.00 125.11 1roz n PRO 336 Ca 0.27 0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 1roz n PRO 336 Cb 0.45 -2.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 1roz n PRO 336 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1roz s VAL 337 N -1.86 0.39 -0.10 0.52 1.01 -0.36 -5.01 120.40 114.99 1roz s VAL 337 Ca 0.75 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1roz s VAL 337 Cb -0.33 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1roz s VAL 337 CO 0.48 0.11 -0.13 -0.75 0.00 0.00 0.00 175.10 174.82 1roz s LYS 338 N -0.09 1.92 -0.24 2.72 2.20 -1.26 0.13 119.74 125.13 1roz s LYS 338 Ca 0.02 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.08 1roz s LYS 338 Cb -0.02 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 1roz s LYS 338 CO -0.00 -0.08 0.11 0.08 -0.36 0.00 0.00 175.35 175.10 1roz s VAL 339 N 1.03 4.78 -0.88 4.02 1.01 0.15 -4.93 120.40 125.59 1roz s VAL 339 Ca -0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1roz s VAL 339 Cb -0.15 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.10 1roz s VAL 339 CO -0.01 0.34 1.15 -0.31 0.00 0.00 0.00 175.10 176.27 1roz s TYR 340 N 1.33 2.89 -0.03 5.22 1.51 -1.26 -2.30 117.35 124.71 1roz s TYR 340 Ca 0.06 -1.07 -0.30 0.00 -1.01 0.00 0.00 57.07 54.74 1roz s TYR 340 Cb -0.15 -4.37 0.11 0.00 -0.11 0.00 0.00 41.96 37.44 1roz s TYR 340 CO 0.05 -1.62 1.06 0.00 -1.11 0.00 0.00 175.55 173.93 1roz s ALA 341 N 3.48 -1.93 -0.05 3.71 0.00 -1.13 -4.97 121.76 120.88 1roz s ALA 341 Ca 0.33 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1roz s ALA 341 Cb -0.07 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1roz s ALA 341 CO -0.05 -0.79 1.46 0.34 0.00 0.00 0.00 175.76 176.72 1roz s ASP 342 N -2.57 6.81 0.47 0.00 -1.08 -1.26 -3.89 116.67 115.15 1roz s ASP 342 Ca 0.09 2.07 0.32 0.00 -0.52 0.00 0.00 52.55 54.51 1roz s ASP 342 Cb -0.00 -2.55 1.55 0.00 -1.46 0.00 0.00 42.92 40.46 1roz s ASP 342 CO -0.05 -0.80 1.96 0.00 0.52 0.00 0.00 175.17 176.80 1roz h ALA 343 N 8.47 1.00 0.00 3.66 0.00 -1.96 -1.81 119.26 128.62 1roz h ALA 343 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1roz h ALA 343 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1roz h ALA 343 CO 0.93 0.00 -0.21 0.66 0.00 0.00 0.00 179.25 180.64 1roz h SER 344 N 0.00 0.00 0.09 0.00 4.64 -1.99 -1.56 113.55 114.72 1roz h SER 344 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1roz h SER 344 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1roz h SER 344 CO 0.00 0.21 -1.87 0.18 -0.87 0.00 0.00 176.83 174.48 1roz n LEU 345 N -3.99 2.47 0.04 5.97 4.77 -0.71 -4.68 117.00 120.87 1roz n LEU 345 Ca -0.02 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 1roz n LEU 345 Cb 0.29 -1.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.16 1roz n LEU 345 CO 0.35 0.73 -0.21 0.58 -1.33 0.00 0.00 177.39 177.50 1roz h VAL 346 N -0.19 1.25 -0.58 4.08 2.07 -1.38 -3.38 116.25 118.11 1roz h VAL 346 Ca -0.42 -2.48 0.08 0.00 0.82 0.00 0.00 66.70 64.69 1roz h VAL 346 Cb 1.86 2.95 -0.06 0.00 -1.52 0.00 0.00 31.29 34.51 1roz h VAL 346 CO 0.00 0.72 0.23 0.15 0.02 0.00 0.00 177.57 178.69 1roz h PHE 347 N -0.29 0.40 -0.74 1.57 3.57 -1.56 -0.83 116.94 119.06 1roz h PHE 347 Ca -0.23 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 1roz h PHE 347 Cb 1.75 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 1roz h PHE 347 CO 0.16 0.13 0.44 -1.35 -2.23 0.00 0.00 178.31 175.45 1roz h PRO 348 N 0.42 0.99 -0.50 6.41 0.11 -1.77 -0.34 132.00 137.32 1roz h PRO 348 Ca 0.28 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1roz h PRO 348 Cb 0.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1roz h PRO 348 CO -0.27 0.70 0.02 -0.07 -0.21 0.00 0.00 178.00 178.17 1roz h LEU 349 N 1.01 0.86 -0.02 2.35 3.38 -1.56 -1.60 115.31 119.73 1roz h LEU 349 Ca 0.27 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1roz h LEU 349 Cb -0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1roz h LEU 349 CO -0.05 0.94 0.01 0.25 0.09 0.00 0.00 178.44 179.68 1roz h LEU 350 N 0.74 0.03 -0.92 1.67 5.85 -0.59 -2.45 115.31 119.63 1roz h LEU 350 Ca 0.15 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1roz h LEU 350 Cb 0.49 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1roz h LEU 350 CO 0.02 0.08 0.60 0.58 -0.34 0.00 0.00 178.44 179.39 1roz h VAL 351 N -0.03 1.16 -0.64 1.05 2.07 -1.04 -2.07 116.25 116.75 1roz h VAL 351 Ca 0.01 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1roz h VAL 351 Cb 0.06 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1roz h VAL 351 CO -0.00 0.21 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1roz h ALA 352 N 1.38 1.57 -0.01 1.67 0.00 -1.00 -1.13 119.26 121.73 1roz h ALA 352 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1roz h ALA 352 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1roz h ALA 352 CO -0.12 0.40 -0.23 0.39 0.00 0.00 0.00 179.25 179.69 1roz n GLU 353 N -4.44 1.14 0.00 0.00 -0.58 -0.92 -4.15 120.64 111.69 1roz n GLU 353 Ca 0.07 -0.75 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 1roz n GLU 353 Cb 0.06 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1roz n GLU 353 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1roz n THR 354 N -0.28 0.00 -0.25 2.62 -2.24 -0.83 -4.80 114.28 108.50 1roz n THR 354 Ca 0.13 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 1roz n THR 354 Cb 0.38 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.79 1roz n THR 354 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1roz h PHE 355 N 0.00 0.49 0.00 4.78 0.04 -1.75 -1.08 116.94 119.42 1roz h PHE 355 Ca 0.00 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1roz h PHE 355 Cb 0.00 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1roz h PHE 355 CO 0.00 0.05 -0.12 0.00 -0.60 0.00 0.00 178.31 177.64 1roz h ALA 356 N 1.55 1.21 0.00 2.45 0.00 -1.46 -1.44 119.26 121.57 1roz h ALA 356 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1roz h ALA 356 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1roz h ALA 356 CO -0.41 0.15 0.00 1.96 0.00 0.00 0.00 179.25 180.95 1roz h GLN 357 N 0.00 0.00 -0.27 0.00 1.08 -1.35 -3.17 115.11 111.40 1roz h GLN 357 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1roz h GLN 357 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1roz h GLN 357 CO 0.02 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.53 1roz n LYS 358 N -2.66 2.91 -0.27 1.46 4.76 -0.56 -4.75 118.16 119.06 1roz n LYS 358 Ca 0.04 -2.75 0.05 0.00 -2.87 0.00 0.00 58.31 52.78 1roz n LYS 358 Cb 0.41 -1.77 0.14 0.00 -1.84 0.00 0.00 35.03 31.97 1roz n LYS 358 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 1roz h MET 359 N 1.82 0.06 -0.14 1.97 1.85 -1.48 -2.02 114.93 116.99 1roz h MET 359 Ca 0.00 -0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1roz h MET 359 Cb 1.36 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 33.31 1roz h MET 359 CO 0.20 0.04 -0.32 0.22 -0.40 0.00 0.00 176.91 176.64 1roz h ASP 360 N 0.06 -0.99 -0.80 1.39 3.58 -1.88 -1.22 116.42 116.55 1roz h ASP 360 Ca 0.41 0.15 0.23 0.00 0.42 0.00 0.00 57.03 58.23 1roz h ASP 360 Cb 0.70 0.42 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1roz h ASP 360 CO -0.73 -0.35 0.57 0.00 -2.88 0.00 0.00 179.24 175.85 1roz h ALA 361 N 0.44 2.72 -0.34 -0.78 0.00 -1.74 0.59 119.26 120.15 1roz h ALA 361 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1roz h ALA 361 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1roz h ALA 361 CO -0.36 -0.94 0.00 1.19 0.00 0.00 0.00 179.25 179.14 1roz n PHE 362 N -4.31 0.50 -0.50 0.00 3.72 -0.47 -5.16 117.46 111.25 1roz n PHE 362 Ca 0.16 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1roz n PHE 362 Cb 0.85 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 1roz n PHE 362 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38