#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.00 0.00 3.17 -1.04 -1.26 -5.14 114.28 110.01 1b4m n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b4m n THR 2 Cb 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1b4m n THR 2 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1b4m n LYS 3 N -2.29 1.42 -0.42 -2.82 3.00 -1.26 -4.65 118.16 111.14 1b4m n LYS 3 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1b4m n LYS 3 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1b4m n ASP 4 N 0.00 -1.30 0.00 3.14 9.92 -1.26 -4.99 116.55 122.05 1b4m n ASP 4 Ca 0.00 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 1b4m n ASP 4 Cb 0.00 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1b4m n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b4m n GLN 5 N -2.72 3.01 -3.69 -1.24 1.13 -1.26 -4.90 117.38 107.71 1b4m n GLN 5 Ca 0.06 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1b4m n GLN 5 Cb 0.22 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.47 1b4m n GLN 5 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1b4m s ASN 6 N 1.00 -0.55 0.00 1.08 -0.87 -1.26 -4.51 114.94 109.83 1b4m s ASN 6 Ca 0.00 0.95 0.00 0.00 -1.57 0.00 0.00 52.86 52.24 1b4m s ASN 6 Cb 0.00 0.85 0.00 0.00 -0.02 0.00 0.00 41.25 42.08 1b4m s ASN 6 CO 0.00 -0.19 0.00 0.61 -2.57 0.00 0.00 177.10 174.95 1b4m n GLY 7 N 4.02 -0.13 3.65 0.66 0.00 -1.04 -5.05 105.19 107.30 1b4m n GLY 7 Ca -0.21 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4m s THR 8 N 0.00 0.00 -0.16 2.61 2.01 -1.26 -4.27 115.64 114.56 1b4m s THR 8 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1b4m s THR 8 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 1b4m s THR 8 CO 0.00 0.00 0.22 0.26 -0.69 0.00 0.00 174.62 174.41 1b4m s TRP 9 N -1.11 -0.28 -0.85 4.92 0.52 0.37 0.13 118.94 122.63 1b4m s TRP 9 Ca 0.10 0.45 -0.24 0.00 0.02 0.00 0.00 56.10 56.43 1b4m s TRP 9 Cb -0.01 -0.28 0.06 0.00 -1.15 0.00 0.00 33.47 32.09 1b4m s TRP 9 CO -0.08 -0.48 1.27 -1.21 0.02 0.00 0.00 176.95 176.46 1b4m s GLU 10 N 2.34 3.37 0.13 4.98 2.02 -1.15 0.06 118.70 130.45 1b4m s GLU 10 Ca 0.05 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.19 1b4m s GLU 10 Cb -0.14 -4.71 0.32 0.00 0.10 0.00 0.00 34.13 29.70 1b4m s GLU 10 CO -0.10 -2.07 0.65 -0.12 0.02 0.00 0.00 175.26 173.64 1b4m n MET 11 N 8.55 -0.03 0.00 1.61 1.56 -1.26 -4.22 117.12 123.33 1b4m n MET 11 Ca 0.15 0.62 0.00 0.00 -0.27 0.00 0.00 57.70 58.20 1b4m n MET 11 Cb 0.49 -0.99 0.00 0.00 2.15 0.00 0.00 33.22 34.88 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1b4m n GLU 12 N -4.42 0.00 -4.12 2.12 2.13 -1.26 -3.65 120.64 111.44 1b4m n GLU 12 Ca 0.10 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.70 1b4m n GLU 12 Cb 0.32 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.97 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1b4m n SER 13 N 3.56 0.93 -3.52 4.31 3.41 -1.26 -4.98 113.62 116.07 1b4m n SER 13 Ca 0.00 -2.94 -0.11 0.00 -0.26 0.00 0.00 58.87 55.55 1b4m n SER 13 Cb 0.00 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.92 1b4m n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b4m s ASN 14 N -3.22 -0.45 0.05 4.04 4.22 -1.26 -4.31 114.94 114.02 1b4m s ASN 14 Ca 0.21 0.26 0.07 0.00 -2.14 0.00 0.00 52.86 51.26 1b4m s ASN 14 Cb 0.01 0.41 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 1b4m s ASN 14 CO 0.15 -0.57 -0.19 -0.70 -2.04 0.00 0.00 177.10 173.74 1b4m s GLU 15 N -2.19 1.28 0.00 3.55 2.12 -1.23 -4.96 118.70 117.27 1b4m s GLU 15 Ca -0.01 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.40 1b4m s GLU 15 Cb -0.01 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 33.00 1b4m s GLU 15 CO -0.03 0.35 0.00 -1.71 -0.54 0.00 0.00 175.26 173.33 1b4m n ASN 16 N 1.79 -5.54 -0.05 -1.70 5.15 -1.26 -4.40 115.26 109.24 1b4m n ASN 16 Ca -0.18 0.35 -0.07 0.00 -0.60 0.00 0.00 54.58 54.09 1b4m n ASN 16 Cb 0.54 -1.32 -0.05 0.00 -0.53 0.00 0.00 39.78 38.42 1b4m n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1b4m n PHE 17 N 1.20 0.00 0.07 1.20 -1.74 -1.26 -4.05 117.46 112.87 1b4m n PHE 17 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 1b4m n PHE 17 Cb 0.41 -0.38 -0.02 0.00 1.52 0.00 0.00 39.48 41.01 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1b4m h GLU 18 N 0.00 0.37 0.00 3.97 4.81 -1.92 -2.23 114.58 119.58 1b4m h GLU 18 Ca -0.22 -0.37 -0.14 0.00 -0.13 0.00 0.00 59.36 58.51 1b4m h GLU 18 Cb 1.35 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1b4m h GLU 18 CO -0.03 1.04 -0.64 0.78 -0.73 0.00 0.00 179.01 179.42 1b4m h GLY 19 N 1.36 0.00 2.00 1.92 0.00 -1.98 -2.50 103.07 103.87 1b4m h GLY 19 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1b4m h GLY 19 CO 0.15 0.00 -0.59 -1.82 0.00 0.00 0.00 176.54 174.27 1b4m h TYR 20 N 0.00 0.00 0.00 5.60 3.20 -1.67 -0.61 116.97 123.48 1b4m h TYR 20 Ca -0.01 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1b4m h TYR 20 Cb 1.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1b4m h TYR 20 CO 0.00 0.59 -0.47 0.52 -1.64 0.00 0.00 178.16 177.16 1b4m h MET 21 N 0.00 0.00 0.00 1.82 2.86 -1.22 -3.09 114.93 115.30 1b4m h MET 21 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1b4m h MET 21 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1b4m h MET 21 CO 0.08 0.47 -0.54 0.87 1.06 0.00 0.00 176.91 178.84 1b4m h LYS 22 N 0.00 0.00 -0.14 1.72 1.57 -1.00 0.95 116.57 119.67 1b4m h LYS 22 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1b4m h LYS 22 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1b4m h LYS 22 CO 0.06 0.54 -0.29 0.00 -0.57 0.00 0.00 179.45 179.20 1b4m h ALA 23 N 1.46 0.23 -0.01 3.86 0.00 -1.04 -3.08 119.26 120.68 1b4m h ALA 23 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1b4m h ALA 23 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1b4m h ALA 23 CO 0.07 0.24 -0.32 1.47 0.00 0.00 0.00 179.25 180.71 1b4m n LEU 24 N -4.40 0.94 -2.10 0.00 -0.00 -1.21 -4.86 117.00 105.36 1b4m n LEU 24 Ca -0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 1b4m n LEU 24 Cb 0.47 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1b4m n LEU 24 CO 0.42 0.18 -0.26 -0.67 -0.00 0.00 0.00 177.39 177.06 1b4m n ASP 25 N -0.82 -4.06 -2.30 1.45 -0.08 0.16 -4.84 116.55 106.05 1b4m n ASP 25 Ca 0.11 0.29 -0.32 0.00 -1.51 0.00 0.00 54.79 53.35 1b4m n ASP 25 Cb 0.35 -0.95 0.06 0.00 2.34 0.00 0.00 41.12 42.92 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b4m n ILE 26 N 1.10 3.30 0.00 5.18 3.06 -0.20 -4.98 119.36 126.82 1b4m n ILE 26 Ca 0.00 -3.45 0.00 0.00 -2.50 0.00 0.00 62.75 56.80 1b4m n ILE 26 Cb 0.26 -1.16 0.00 0.00 0.54 0.00 0.00 39.64 39.28 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -0.82 -1.51 -4.75 9.51 -0.08 -1.26 -4.88 116.55 112.76 1b4m n ASP 27 Ca 0.56 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.43 1b4m n ASP 27 Cb 0.71 0.98 -0.02 0.00 2.34 0.00 0.00 41.12 45.12 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1b4m s PHE 28 N -1.43 3.12 -0.18 -0.67 0.08 -1.26 -4.02 117.98 113.62 1b4m s PHE 28 Ca 0.00 1.27 -0.02 0.00 0.12 0.00 0.00 56.93 58.30 1b4m s PHE 28 Cb 0.00 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1b4m s PHE 28 CO 0.00 -2.03 0.20 0.00 -0.10 0.00 0.00 175.22 173.29 1b4m n ALA 29 N 1.76 -2.32 -2.82 5.36 0.00 -1.26 -5.02 120.51 116.21 1b4m n ALA 29 Ca 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 1b4m n ALA 29 Cb 0.42 -0.75 0.05 0.00 0.00 0.00 0.00 19.45 19.17 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N -0.89 1.20 -3.67 0.00 -1.04 -1.26 -5.07 114.28 103.56 1b4m n THR 30 Ca 0.02 -2.86 -0.00 0.00 -2.04 0.00 0.00 64.05 59.16 1b4m n THR 30 Cb 0.34 1.25 -0.00 0.00 -1.82 0.00 0.00 70.33 70.11 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N -0.60 0.01 -2.12 -2.82 0.00 -1.26 -4.92 116.66 104.96 1b4m n ARG 31 Ca 0.06 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1b4m n ARG 31 Cb 0.80 0.06 -0.00 0.00 -0.00 0.00 0.00 32.46 33.32 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1b4m n LYS 32 N -0.01 -0.38 0.13 2.89 4.81 -1.26 -4.79 118.16 119.54 1b4m n LYS 32 Ca 0.00 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1b4m n LYS 32 Cb 0.01 -3.84 0.00 0.00 0.02 0.00 0.00 35.03 31.22 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1b4m n ILE 33 N -3.93 0.00 -1.36 3.15 5.41 -1.26 -4.97 119.36 116.39 1b4m n ILE 33 Ca -0.04 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.48 1b4m n ILE 33 Cb 0.53 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.38 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -3.03 6.45 -0.05 -1.39 0.00 -1.26 -4.35 120.51 116.88 1b4m n ALA 34 Ca 0.00 -2.74 -0.15 0.00 0.00 0.00 0.00 53.44 50.55 1b4m n ALA 34 Cb 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.16 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m h VAL 35 N 2.02 1.36 0.00 0.00 2.07 -1.98 -3.47 116.25 116.25 1b4m h VAL 35 Ca 0.35 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1b4m h VAL 35 Cb 0.93 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1b4m h VAL 35 CO 0.72 0.49 0.00 -1.14 0.02 0.00 0.00 177.57 177.65 1b4m n ARG 36 N -4.34 0.00 -3.59 1.57 0.00 -1.26 -4.91 116.66 104.13 1b4m n ARG 36 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.68 1b4m n ARG 36 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.86 1b4m n ARG 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1b4m s LEU 37 N 0.00 -0.52 -1.52 6.15 2.34 -1.26 -4.92 118.68 118.96 1b4m s LEU 37 Ca 0.00 0.65 -0.06 0.00 0.06 0.00 0.00 54.13 54.78 1b4m s LEU 37 Cb 0.00 1.07 0.05 0.00 -0.56 0.00 0.00 46.19 46.75 1b4m s LEU 37 CO 0.00 -0.25 0.52 0.41 -1.06 0.00 0.00 176.35 175.97 1b4m n THR 38 N 5.37 -2.24 -1.68 5.48 -1.04 -1.26 -1.74 114.28 117.17 1b4m n THR 38 Ca -0.07 -0.33 -0.46 0.00 -2.04 0.00 0.00 64.05 61.16 1b4m n THR 38 Cb 0.50 -2.23 -0.04 0.00 -1.82 0.00 0.00 70.33 66.74 1b4m n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1b4m n GLN 39 N -4.42 2.41 -3.01 -2.82 -0.06 -1.26 -3.86 117.38 104.35 1b4m n GLN 39 Ca -0.18 0.88 -0.17 0.00 -2.00 0.00 0.00 57.00 55.53 1b4m n GLN 39 Cb 0.62 -2.74 -0.01 0.00 -4.06 0.00 0.00 30.24 24.05 1b4m n GLN 39 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1b4m n THR 40 N 4.76 -0.35 -2.09 1.69 -1.04 -1.26 -3.98 114.28 112.01 1b4m n THR 40 Ca 0.20 -3.09 -0.38 0.00 -2.04 0.00 0.00 64.05 58.74 1b4m n THR 40 Cb 0.33 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1b4m n THR 40 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 41 N -0.63 3.73 0.30 -2.82 2.36 0.11 -3.39 119.74 119.40 1b4m s LYS 41 Ca 0.34 2.01 0.06 0.00 -2.55 0.00 0.00 55.97 55.83 1b4m s LYS 41 Cb 0.22 -2.53 -0.06 0.00 -1.05 0.00 0.00 37.83 34.41 1b4m s LYS 41 CO -0.14 -0.64 -0.03 0.42 1.55 0.00 0.00 175.35 176.50 1b4m s ILE 42 N -1.38 1.57 -0.09 5.43 1.01 0.13 0.14 121.20 128.01 1b4m s ILE 42 Ca 0.62 -2.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.05 1b4m s ILE 42 Cb -0.35 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1b4m s ILE 42 CO 0.43 -0.22 0.34 -0.51 0.00 0.00 0.00 174.94 174.98 1b4m s ILE 43 N -3.05 0.02 0.00 2.92 2.07 -1.26 -2.48 121.20 119.42 1b4m s ILE 43 Ca 0.31 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1b4m s ILE 43 Cb 0.05 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.10 1b4m s ILE 43 CO 0.13 -0.09 0.00 0.52 -1.91 0.00 0.00 174.94 173.59 1b4m n VAL 44 N 2.34 0.00 -2.16 4.00 0.31 -0.06 -2.51 118.33 120.25 1b4m n VAL 44 Ca -0.16 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1b4m n VAL 44 Cb 0.57 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1b4m n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 45 N -2.36 -5.45 0.00 5.55 0.00 -1.20 -4.41 117.38 109.51 1b4m n GLN 45 Ca 0.00 3.89 0.00 0.00 -0.00 0.00 0.00 57.00 60.89 1b4m n GLN 45 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 30.24 25.83 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1b4m n ASP 46 N 1.87 0.06 0.00 1.69 -0.08 -1.08 -4.91 116.55 114.11 1b4m n ASP 46 Ca 0.00 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 1b4m n ASP 46 Cb 0.00 0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4m n GLY 47 N 0.04 2.11 2.53 0.27 0.00 -1.26 -4.86 105.19 104.02 1b4m n GLY 47 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.00 -4.13 0.00 1.61 8.00 -1.26 -4.80 116.55 115.98 1b4m n ASP 48 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1b4m n ASP 48 Cb 0.00 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 1b4m n ASP 48 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1b4m n ASN 49 N -1.88 0.00 -4.26 -2.24 5.15 -1.26 -4.71 115.26 106.05 1b4m n ASN 49 Ca -0.14 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.40 1b4m n ASN 49 Cb 0.61 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.81 1b4m n ASN 49 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1b4m s PHE 50 N 0.00 3.49 0.47 1.20 5.36 0.11 -2.62 117.98 125.98 1b4m s PHE 50 Ca 0.00 -1.86 0.07 0.00 -0.96 0.00 0.00 56.93 54.18 1b4m s PHE 50 Cb 0.00 -3.66 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 1b4m s PHE 50 CO 0.00 -0.98 0.43 0.15 -1.46 0.00 0.00 175.22 173.36 1b4m s LYS 51 N 0.84 2.43 -0.01 10.12 1.02 -1.25 -3.69 119.74 129.20 1b4m s LYS 51 Ca 0.11 -1.68 0.01 0.00 0.02 0.00 0.00 55.97 54.42 1b4m s LYS 51 Cb -0.21 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1b4m s LYS 51 CO -0.03 -0.38 -0.01 0.99 -0.92 0.00 0.00 175.35 174.99 1b4m s THR 52 N -2.58 0.16 -0.26 2.17 2.01 -0.55 -0.88 115.64 115.70 1b4m s THR 52 Ca 0.46 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 1b4m s THR 52 Cb -0.03 -0.18 0.14 0.00 0.01 0.00 0.00 72.50 72.44 1b4m s THR 52 CO 0.27 0.08 0.53 -0.75 -0.69 0.00 0.00 174.62 174.06 1b4m s LYS 53 N 0.29 0.47 0.00 4.92 2.36 -1.04 0.11 119.74 126.85 1b4m s LYS 53 Ca -0.03 1.06 0.00 0.00 -2.55 0.00 0.00 55.97 54.45 1b4m s LYS 53 Cb -0.05 0.40 0.00 0.00 -1.05 0.00 0.00 37.83 37.13 1b4m s LYS 53 CO -0.01 -0.41 0.00 2.41 1.55 0.00 0.00 175.35 178.89 1b4m n THR 54 N 5.41 -0.04 -2.64 3.43 -1.04 -1.26 -4.33 114.28 113.80 1b4m n THR 54 Ca -0.07 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1b4m n THR 54 Cb 0.50 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.04 1b4m n THR 54 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1b4m n ASN 55 N -0.21 -1.16 0.00 8.00 0.23 -1.17 0.20 115.26 121.15 1b4m n ASN 55 Ca 0.00 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 1b4m n ASN 55 Cb 0.00 0.81 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b4m n SER 56 N -0.57 0.00 0.09 0.53 7.64 -0.96 -4.32 113.62 116.03 1b4m n SER 56 Ca -0.17 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.53 1b4m n SER 56 Cb 0.69 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.75 1b4m n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b4m h THR 57 N 1.00 1.19 0.00 0.44 1.03 -1.45 -3.19 112.91 111.94 1b4m h THR 57 Ca 0.00 -2.78 -0.01 0.00 -0.01 0.00 0.00 66.41 63.61 1b4m h THR 57 Cb 0.00 2.84 -0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1b4m h THR 57 CO 0.00 0.84 -0.06 2.19 -0.01 0.00 0.00 175.52 178.48 1b4m h PHE 58 N 0.09 0.00 -1.18 0.00 -5.15 -1.94 -3.45 116.94 105.31 1b4m h PHE 58 Ca -0.24 0.00 0.32 0.00 -0.20 0.00 0.00 57.97 57.85 1b4m h PHE 58 Cb 2.05 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 38.03 1b4m h PHE 58 CO 0.08 0.06 0.93 -0.98 -2.00 0.00 0.00 178.31 176.40 1b4m s ARG 59 N -4.92 0.13 -0.39 6.09 1.70 -1.20 -5.09 118.95 115.26 1b4m s ARG 59 Ca -0.05 -0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.18 1b4m s ARG 59 Cb 0.17 0.05 0.15 0.00 -0.57 0.00 0.00 34.95 34.75 1b4m s ARG 59 CO 0.67 -0.06 0.26 0.54 -1.08 0.00 0.00 175.30 175.64 1b4m s ASN 60 N -2.29 2.58 -0.92 -2.89 2.20 -1.26 -2.27 114.94 110.09 1b4m s ASN 60 Ca 0.12 -2.55 -0.23 0.00 -0.94 0.00 0.00 52.86 49.26 1b4m s ASN 60 Cb 0.01 -0.50 0.06 0.00 -2.00 0.00 0.00 41.25 38.82 1b4m s ASN 60 CO -0.04 -0.26 1.34 -0.47 -2.94 0.00 0.00 177.10 174.74 1b4m s TYR 61 N 0.62 2.54 0.47 1.54 5.04 -1.26 -4.55 117.35 121.75 1b4m s TYR 61 Ca 0.23 -0.69 -0.20 0.00 -2.44 0.00 0.00 57.07 53.97 1b4m s TYR 61 Cb -0.14 -4.61 -0.13 0.00 0.35 0.00 0.00 41.96 37.42 1b4m s TYR 61 CO -0.06 -1.91 0.22 -0.40 -1.34 0.00 0.00 175.55 172.06 1b4m n ASP 62 N 8.68 -2.26 -3.11 4.32 5.68 -1.26 -4.60 116.55 123.99 1b4m n ASP 62 Ca 0.23 0.77 -0.24 0.00 -0.50 0.00 0.00 54.79 55.05 1b4m n ASP 62 Cb 0.50 -0.99 -0.04 0.00 -1.14 0.00 0.00 41.12 39.45 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1b4m n LEU 63 N 1.74 2.71 -4.56 -2.12 7.94 0.30 -4.99 117.00 118.03 1b4m n LEU 63 Ca 0.10 -5.33 -0.41 0.00 -1.11 0.00 0.00 56.01 49.27 1b4m n LEU 63 Cb 0.44 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 1b4m n LEU 63 CO 0.54 2.27 1.35 -0.62 -1.11 0.00 0.00 177.39 179.81 1b4m s ASP 64 N -2.76 6.35 -0.02 1.96 2.15 -1.26 -1.49 116.67 121.60 1b4m s ASP 64 Ca 0.43 -1.02 0.04 0.00 0.43 0.00 0.00 52.55 52.43 1b4m s ASP 64 Cb 0.28 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1b4m s ASP 64 CO -0.10 -1.65 -0.13 -0.36 -0.17 0.00 0.00 175.17 172.76 1b4m s PHE 65 N 5.32 1.24 -0.25 -5.34 0.08 -1.24 -5.01 117.98 112.78 1b4m s PHE 65 Ca 0.41 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1b4m s PHE 65 Cb -0.03 -0.83 0.06 0.00 -0.57 0.00 0.00 43.02 41.65 1b4m s PHE 65 CO 0.01 -0.08 -0.04 0.99 -0.10 0.00 0.00 175.22 176.00 1b4m s THR 66 N -0.09 1.57 0.01 0.64 2.01 -1.26 0.03 115.64 118.55 1b4m s THR 66 Ca 0.01 -1.32 -0.39 0.00 0.31 0.00 0.00 61.69 60.29 1b4m s THR 66 Cb -0.08 -1.87 -0.19 0.00 0.01 0.00 0.00 72.50 70.37 1b4m s THR 66 CO 0.00 -0.16 1.14 0.52 -0.69 0.00 0.00 174.62 175.43 1b4m n VAL 67 N 4.64 0.00 -0.69 3.82 0.31 -1.26 -1.61 118.33 123.54 1b4m n VAL 67 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1b4m n VAL 67 Cb 0.44 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b4m n GLY 68 N 1.77 0.63 0.16 2.92 0.00 0.19 -4.94 105.19 105.92 1b4m n GLY 68 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1b4m n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b4m h VAL 69 N 0.00 1.41 -4.70 1.61 2.07 -1.50 -3.48 116.25 111.65 1b4m h VAL 69 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1b4m h VAL 69 Cb 0.00 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1b4m h VAL 69 CO 0.00 0.66 -0.14 1.21 0.02 0.00 0.00 177.57 179.32 1b4m n GLU 70 N -3.80 -1.26 -1.52 1.57 2.13 -1.26 -4.71 120.64 111.78 1b4m n GLU 70 Ca -0.04 1.40 -0.24 0.00 0.66 0.00 0.00 57.16 58.95 1b4m n GLU 70 Cb 0.71 -4.59 -0.10 0.00 0.27 0.00 0.00 31.44 27.73 1b4m n GLU 70 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1b4m n PHE 71 N -1.10 1.30 -1.48 4.31 7.35 -0.27 -4.79 117.46 122.78 1b4m n PHE 71 Ca 0.03 -0.65 -0.22 0.00 -0.76 0.00 0.00 57.45 55.86 1b4m n PHE 71 Cb 0.44 -2.29 -0.11 0.00 0.35 0.00 0.00 39.48 37.86 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1b4m n ASP 72 N 16.26 1.56 -2.34 -2.13 8.00 -1.26 -0.18 116.55 136.47 1b4m n ASP 72 Ca 0.43 -2.53 -0.00 0.00 0.71 0.00 0.00 54.79 53.40 1b4m n ASP 72 Cb 0.46 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1b4m n GLU 73 N 8.10 -4.30 -3.06 -1.24 1.02 -0.67 -4.84 120.64 115.66 1b4m n GLU 73 Ca 0.43 3.13 0.05 0.00 -0.02 0.00 0.00 57.16 60.74 1b4m n GLU 73 Cb 0.46 -4.05 0.00 0.00 -0.02 0.00 0.00 31.44 27.83 1b4m n GLU 73 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1b4m s HIS 74 N -0.50 -0.31 -0.28 -0.32 3.76 -1.26 -4.73 115.29 111.66 1b4m s HIS 74 Ca -0.02 0.15 -0.17 0.00 -0.15 0.00 0.00 55.06 54.87 1b4m s HIS 74 Cb 0.00 0.05 0.08 0.00 1.11 0.00 0.00 32.58 33.82 1b4m s HIS 74 CO 0.07 -0.19 0.69 0.95 -0.85 0.00 0.00 174.74 175.41 1b4m s THR 75 N 2.76 -0.00 -0.07 1.30 -4.23 -1.25 -5.00 115.64 109.14 1b4m s THR 75 Ca 0.27 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.51 1b4m s THR 75 Cb 0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1b4m s THR 75 CO -0.21 0.00 0.61 -0.75 -0.54 0.00 0.00 174.62 173.73 1b4m s LYS 76 N 1.54 0.95 0.00 3.99 2.47 -1.26 -3.15 119.74 124.28 1b4m s LYS 76 Ca -0.09 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.58 1b4m s LYS 76 Cb -0.05 0.45 0.00 0.00 -1.46 0.00 0.00 37.83 36.77 1b4m s LYS 76 CO -0.18 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.46 1b4m n GLY 77 N 1.19 0.78 0.49 5.54 0.00 -1.26 -4.83 105.19 107.11 1b4m n GLY 77 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N 0.00 0.00 0.00 0.99 7.94 -1.26 -5.02 117.00 119.65 1b4m n LEU 78 Ca 0.00 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.91 1b4m n LEU 78 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1b4m n LEU 78 CO 0.00 0.51 0.00 -0.67 -1.11 0.00 0.00 177.39 176.12 1b4m n ASP 79 N 0.00 0.00 -1.91 1.96 2.03 -1.26 -4.91 116.55 112.45 1b4m n ASP 79 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1b4m n ASP 79 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 0.00 -0.65 2.80 0.27 0.00 -1.25 -4.99 105.19 101.37 1b4m n GLY 80 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1b4m n GLY 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b4m n ARG 81 N -0.99 0.86 -3.06 1.61 3.00 -1.19 -5.06 116.66 111.84 1b4m n ARG 81 Ca 0.01 -2.87 -0.11 0.00 -0.00 0.00 0.00 57.85 54.88 1b4m n ARG 81 Cb 0.39 1.09 -0.03 0.00 0.00 0.00 0.00 32.46 33.91 1b4m n ARG 81 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1b4m s ASN 82 N -3.13 -0.34 0.02 6.15 -0.87 -1.26 -3.97 114.94 111.54 1b4m s ASN 82 Ca 0.07 -1.95 0.03 0.00 -1.57 0.00 0.00 52.86 49.44 1b4m s ASN 82 Cb 0.00 1.11 -0.01 0.00 -0.02 0.00 0.00 41.25 42.33 1b4m s ASN 82 CO 0.05 -0.13 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.68 1b4m s VAL 83 N 0.86 0.65 0.78 1.60 1.01 -1.26 -4.75 120.40 119.29 1b4m s VAL 83 Ca 0.27 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1b4m s VAL 83 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1b4m s VAL 83 CO -0.09 -0.02 0.44 0.29 0.00 0.00 0.00 175.10 175.73 1b4m n LYS 84 N 2.33 0.15 -2.80 2.72 5.02 -0.97 -1.66 118.16 122.94 1b4m n LYS 84 Ca -0.17 0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 1b4m n LYS 84 Cb 0.56 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1b4m n LYS 84 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1b4m n THR 85 N -2.65 -0.09 -2.21 -0.18 -1.04 0.75 -2.24 114.28 106.63 1b4m n THR 85 Ca 0.09 -1.26 -0.41 0.00 -2.04 0.00 0.00 64.05 60.43 1b4m n THR 85 Cb 0.51 0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N 0.57 4.45 -0.04 -4.42 0.20 -0.47 -1.11 118.68 117.86 1b4m s LEU 86 Ca 0.31 2.56 0.02 0.00 0.69 0.00 0.00 54.13 57.70 1b4m s LEU 86 Cb 0.04 -3.64 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1b4m s LEU 86 CO -0.09 -0.45 -0.07 0.54 -0.29 0.00 0.00 176.35 175.99 1b4m s VAL 87 N -0.95 0.72 0.32 1.68 0.11 -1.26 -0.11 120.40 120.91 1b4m s VAL 87 Ca 0.49 -0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 59.14 1b4m s VAL 87 Cb -0.38 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1b4m s VAL 87 CO 0.48 0.25 0.63 0.28 -3.33 0.00 0.00 175.10 173.41 1b4m s THR 88 N 0.56 0.00 0.03 5.04 -1.32 0.31 0.55 115.64 120.81 1b4m s THR 88 Ca -0.09 -1.24 -0.08 0.00 -1.21 0.00 0.00 61.69 59.07 1b4m s THR 88 Cb -0.12 -2.51 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 1b4m s THR 88 CO 0.01 0.00 0.32 0.26 -2.21 0.00 0.00 174.62 173.00 1b4m s TRP 89 N -3.17 3.59 -0.19 9.09 0.52 -1.26 -0.52 118.94 127.01 1b4m s TRP 89 Ca 0.20 0.67 -0.13 0.00 0.02 0.00 0.00 56.10 56.86 1b4m s TRP 89 Cb -0.03 -2.06 -0.21 0.00 -1.15 0.00 0.00 33.47 30.02 1b4m s TRP 89 CO 0.12 0.59 0.17 -1.91 0.02 0.00 0.00 176.95 175.94 1b4m n GLU 90 N 1.13 0.65 0.00 4.98 4.07 0.47 -4.80 120.64 127.14 1b4m n GLU 90 Ca -0.11 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1b4m n GLU 90 Cb 0.53 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b4m n GLY 91 N 1.69 -0.04 1.52 8.31 0.00 -1.26 -4.89 105.19 110.51 1b4m n GLY 91 Ca -0.36 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1b4m n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4m n ASN 92 N -1.91 0.86 -3.49 1.61 3.02 -1.26 -4.73 115.26 109.35 1b4m n ASN 92 Ca 0.00 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.40 1b4m n ASN 92 Cb 0.00 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1b4m s THR 93 N -0.15 0.00 -0.98 3.41 -1.32 -1.26 -4.44 115.64 110.91 1b4m s THR 93 Ca 0.31 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.61 1b4m s THR 93 Cb 0.36 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.49 1b4m s THR 93 CO -0.15 0.00 1.18 -0.22 -2.21 0.00 0.00 174.62 173.22 1b4m s LEU 94 N -1.79 5.07 -0.35 9.08 2.96 -1.26 0.18 118.68 132.56 1b4m s LEU 94 Ca -0.05 -2.23 -0.24 0.00 -0.22 0.00 0.00 54.13 51.39 1b4m s LEU 94 Cb -0.00 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.30 1b4m s LEU 94 CO 0.00 -1.00 0.82 -0.69 -1.32 0.00 0.00 176.35 174.17 1b4m s VAL 95 N 2.46 4.70 -0.01 1.68 1.01 0.32 -1.73 120.40 128.84 1b4m s VAL 95 Ca 0.34 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1b4m s VAL 95 Cb -0.04 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1b4m s VAL 95 CO -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 175.10 174.59 1b4m s VAL 97 N 0.23 1.75 -0.77 0.00 1.01 0.84 -3.07 120.40 120.40 1b4m s VAL 97 Ca -0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1b4m s VAL 97 Cb -0.04 -1.47 0.14 0.00 0.00 0.00 0.00 36.38 35.01 1b4m s VAL 97 CO -0.01 0.49 0.87 -1.58 0.00 0.00 0.00 175.10 174.88 1b4m s GLN 98 N -0.26 3.37 -0.13 2.72 2.00 -1.26 -1.37 119.66 124.73 1b4m s GLN 98 Ca 0.01 -1.73 -0.19 0.00 -2.00 0.00 0.00 55.36 51.45 1b4m s GLN 98 Cb -0.11 -4.52 -0.04 0.00 0.80 0.00 0.00 33.01 29.14 1b4m s GLN 98 CO 0.01 -1.57 0.51 0.21 -0.50 0.00 0.00 175.29 173.96 1b4m s LYS 99 N 2.11 4.32 0.00 1.67 2.20 -0.95 -4.42 119.74 124.67 1b4m s LYS 99 Ca 0.21 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1b4m s LYS 99 Cb -0.14 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1b4m s LYS 99 CO -0.03 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 1b4m n GLY 100 N 3.38 1.85 0.00 5.54 0.00 -1.26 -2.29 105.19 112.41 1b4m n GLY 100 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N -1.13 0.00 0.00 1.61 2.13 -1.26 -3.45 120.64 118.54 1b4m n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b4m n GLU 101 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1b4m n LYS 102 N 0.00 0.00 -1.08 5.31 -0.00 -1.26 -5.12 118.16 116.02 1b4m n LYS 102 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1b4m n LYS 102 Cb 0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 35.03 34.80 1b4m n LYS 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1b4m n GLU 103 N -1.80 0.00 -2.73 -1.58 4.71 -1.22 -4.82 120.64 113.20 1b4m n GLU 103 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1b4m n GLU 103 Cb 0.00 -1.19 0.01 0.00 -1.01 0.00 0.00 31.44 29.24 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1b4m n ASN 104 N 6.93 5.68 -0.98 1.62 4.13 -1.26 -4.50 115.26 126.88 1b4m n ASN 104 Ca 0.47 -3.22 0.08 0.00 1.68 0.00 0.00 54.58 53.59 1b4m n ASN 104 Cb -0.01 -1.39 0.24 0.00 -1.54 0.00 0.00 39.78 37.08 1b4m n ASN 104 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1b4m n ARG 105 N 2.87 3.04 -2.54 3.52 3.00 -1.26 0.16 116.66 125.45 1b4m n ARG 105 Ca 0.33 -2.45 -0.39 0.00 -0.00 0.00 0.00 57.85 55.34 1b4m n ARG 105 Cb 0.36 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 31.23 1b4m n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1b4m s GLY 106 N -1.14 2.98 0.05 5.14 0.00 -1.25 -4.66 107.32 108.43 1b4m s GLY 106 Ca 0.36 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.95 1b4m s GLY 106 CO 0.19 1.34 -0.22 0.66 0.00 0.00 0.00 173.10 175.08 1b4m s TRP 107 N -1.31 1.89 0.30 1.90 -2.14 -1.17 -0.23 118.94 118.17 1b4m s TRP 107 Ca 0.48 -0.38 -0.15 0.00 2.66 0.00 0.00 56.10 58.70 1b4m s TRP 107 Cb -0.28 -1.12 0.02 0.00 -3.10 0.00 0.00 33.47 28.99 1b4m s TRP 107 CO 0.36 0.11 0.63 -1.59 -2.66 0.00 0.00 176.95 173.80 1b4m s LYS 108 N -1.28 1.81 0.34 3.25 -2.85 -0.63 -2.97 119.74 117.40 1b4m s LYS 108 Ca 0.08 -1.24 0.04 0.00 -1.00 0.00 0.00 55.97 53.85 1b4m s LYS 108 Cb -0.09 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1b4m s LYS 108 CO 0.02 -0.80 0.15 1.14 0.10 0.00 0.00 175.35 175.96 1b4m s GLN 109 N -3.55 1.72 -0.37 1.78 0.00 -0.71 -2.22 119.66 116.32 1b4m s GLN 109 Ca 0.18 -2.00 -0.04 0.00 -0.00 0.00 0.00 55.36 53.49 1b4m s GLN 109 Cb -0.04 -0.30 0.20 0.00 0.00 0.00 0.00 33.01 32.87 1b4m s GLN 109 CO 0.10 -0.45 0.99 1.67 0.00 0.00 0.00 175.29 177.60 1b4m s TRP 110 N -3.44 -0.65 -0.87 9.60 -2.14 -1.22 -4.19 118.94 116.04 1b4m s TRP 110 Ca 0.32 -0.08 -0.09 0.00 2.66 0.00 0.00 56.10 58.91 1b4m s TRP 110 Cb 0.04 0.12 -0.29 0.00 -3.10 0.00 0.00 33.47 30.25 1b4m s TRP 110 CO 0.17 -0.48 1.90 0.28 -2.66 0.00 0.00 176.95 176.16 1b4m n VAL 111 N 3.18 0.00 -1.41 -0.66 0.31 -1.26 -4.39 118.33 114.10 1b4m n VAL 111 Ca 0.10 -0.40 -0.27 0.00 -0.01 0.00 0.00 64.34 63.77 1b4m n VAL 111 Cb 0.62 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 33.50 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 112 N 4.97 2.33 0.00 5.55 -0.58 -1.10 -4.94 120.64 126.88 1b4m n GLU 112 Ca 0.59 -2.36 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1b4m n GLU 112 Cb 0.11 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4m n GLY 113 N 0.54 1.37 0.18 0.62 0.00 -1.26 -4.61 105.19 102.02 1b4m n GLY 113 Ca 0.46 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.00 1.38 -3.79 1.61 9.92 -1.26 -4.99 116.55 119.41 1b4m n ASP 114 Ca 0.00 -1.19 -0.22 0.00 -0.53 0.00 0.00 54.79 52.85 1b4m n ASP 114 Cb 0.00 0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 41.21 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1b4m s LYS 115 N -2.80 1.79 -0.08 -1.24 0.00 -1.26 -3.65 119.74 112.50 1b4m s LYS 115 Ca 0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 55.97 54.00 1b4m s LYS 115 Cb 0.17 -0.13 0.04 0.00 0.00 0.00 0.00 37.83 37.91 1b4m s LYS 115 CO 0.76 -0.55 0.04 -1.17 0.00 0.00 0.00 175.35 174.44 1b4m s LEU 116 N -3.47 0.39 0.56 2.77 0.20 -1.26 -2.71 118.68 115.16 1b4m s LEU 116 Ca 0.33 -0.13 -0.18 0.00 0.69 0.00 0.00 54.13 54.83 1b4m s LEU 116 Cb 0.03 -0.29 -0.05 0.00 -0.43 0.00 0.00 46.19 45.45 1b4m s LEU 116 CO 0.20 -0.25 1.10 -0.31 -0.29 0.00 0.00 176.35 176.81 1b4m s TYR 117 N 2.08 2.75 -0.47 5.38 2.02 -1.26 -4.54 117.35 123.30 1b4m s TYR 117 Ca 0.04 1.55 0.06 0.00 -0.37 0.00 0.00 57.07 58.35 1b4m s TYR 117 Cb -0.13 -3.20 0.40 0.00 -0.40 0.00 0.00 41.96 38.63 1b4m s TYR 117 CO -0.05 -1.43 1.06 -0.11 -1.57 0.00 0.00 175.55 173.45 1b4m n LEU 118 N -1.51 4.46 -4.70 -1.29 0.00 -1.26 -3.39 117.00 109.30 1b4m n LEU 118 Ca 0.11 -5.26 -0.39 0.00 0.00 0.00 0.00 56.01 50.47 1b4m n LEU 118 Cb 0.52 -0.43 0.04 0.00 0.00 0.00 0.00 43.42 43.55 1b4m n LEU 118 CO 0.43 2.24 0.85 1.21 0.00 0.00 0.00 177.39 182.12 1b4m n GLU 119 N -0.40 1.53 -3.62 1.96 0.00 -0.94 -4.62 120.64 114.56 1b4m n GLU 119 Ca 0.36 0.56 -0.10 0.00 0.00 0.00 0.00 57.16 57.97 1b4m n GLU 119 Cb 0.60 -2.43 -0.03 0.00 0.00 0.00 0.00 31.44 29.58 1b4m n GLU 119 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1b4m s LEU 120 N -2.73 -0.03 0.32 4.31 0.05 -0.33 -1.61 118.68 118.66 1b4m s LEU 120 Ca 0.71 -0.30 0.10 0.00 0.05 0.00 0.00 54.13 54.69 1b4m s LEU 120 Cb -0.44 2.21 -0.06 0.00 -2.05 0.00 0.00 46.19 45.86 1b4m s LEU 120 CO 0.50 -0.98 -0.09 -0.89 -0.55 0.00 0.00 176.35 174.35 1b4m s THR 121 N -3.82 2.55 -0.34 5.48 2.01 0.68 -0.17 115.64 122.02 1b4m s THR 121 Ca 0.05 -2.17 0.07 0.00 0.31 0.00 0.00 61.69 59.95 1b4m s THR 121 Cb -0.00 -2.61 0.27 0.00 0.01 0.00 0.00 72.50 70.17 1b4m s THR 121 CO -0.08 -0.28 1.24 0.00 -0.69 0.00 0.00 174.62 174.81 1b4m n GLY 123 N -0.68 0.47 2.88 0.00 0.00 0.59 -4.22 105.19 104.22 1b4m n GLY 123 Ca -0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N -1.65 -4.46 -1.33 1.61 9.92 -1.26 -4.93 116.55 114.45 1b4m n ASP 124 Ca -0.01 -0.38 0.03 0.00 -0.53 0.00 0.00 54.79 53.90 1b4m n ASP 124 Cb 0.51 -3.61 0.09 0.00 -0.64 0.00 0.00 41.12 37.48 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b4m n GLN 125 N -3.50 0.95 -0.12 -1.24 1.13 -1.26 -5.04 117.38 108.30 1b4m n GLN 125 Ca -0.03 -2.74 0.00 0.00 -1.94 0.00 0.00 57.00 52.29 1b4m n GLN 125 Cb 0.55 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 30.04 1b4m n GLN 125 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1b4m n VAL 126 N -0.25 0.00 -2.18 5.09 3.14 -1.26 -4.62 118.33 118.24 1b4m n VAL 126 Ca 0.13 -0.06 -0.41 0.00 -2.96 0.00 0.00 64.34 61.04 1b4m n VAL 126 Cb 0.94 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.70 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b4m s ARG 128 N -1.66 1.64 0.40 0.00 3.00 -1.26 -1.18 118.95 119.88 1b4m s ARG 128 Ca 0.48 -1.21 0.05 0.00 0.00 0.00 0.00 55.73 55.05 1b4m s ARG 128 Cb -0.38 -1.98 -0.02 0.00 0.00 0.00 0.00 34.95 32.57 1b4m s ARG 128 CO 0.50 0.48 0.17 -0.65 0.00 0.00 0.00 175.30 175.81 1b4m s GLN 129 N -1.71 1.91 -0.00 3.54 -0.21 -1.26 -3.51 119.66 118.42 1b4m s GLN 129 Ca 0.14 -2.16 -0.00 0.00 0.02 0.00 0.00 55.36 53.35 1b4m s GLN 129 Cb -0.10 -0.37 -0.00 0.00 1.00 0.00 0.00 33.01 33.54 1b4m s GLN 129 CO 0.05 -0.54 0.01 0.14 -2.12 0.00 0.00 175.29 172.82 1b4m s VAL 130 N -3.26 0.02 0.35 1.09 -7.23 -1.26 -4.68 120.40 105.43 1b4m s VAL 130 Ca 0.27 -0.14 0.04 0.00 -1.81 0.00 0.00 61.98 60.34 1b4m s VAL 130 Cb 0.02 -0.06 -0.06 0.00 0.56 0.00 0.00 36.38 36.84 1b4m s VAL 130 CO 0.18 -0.08 0.06 -0.36 -0.31 0.00 0.00 175.10 174.59 1b4m s PHE 131 N -0.22 2.00 -0.27 2.82 0.40 -1.24 -4.42 117.98 117.06 1b4m s PHE 131 Ca -0.02 -0.96 -0.07 0.00 -0.60 0.00 0.00 56.93 55.27 1b4m s PHE 131 Cb -0.02 -1.33 0.13 0.00 0.51 0.00 0.00 43.02 42.31 1b4m s PHE 131 CO -0.00 0.03 0.56 0.21 0.70 0.00 0.00 175.22 176.72 1b4m s LYS 132 N -3.86 0.49 0.15 0.44 2.47 -1.26 -4.68 119.74 113.49 1b4m s LYS 132 Ca 0.34 1.22 -0.34 0.00 -1.56 0.00 0.00 55.97 55.63 1b4m s LYS 132 Cb 0.08 0.60 -0.15 0.00 -1.46 0.00 0.00 37.83 36.90 1b4m s LYS 132 CO 0.15 -0.30 1.48 0.36 0.16 0.00 0.00 175.35 177.20 1b4m n LYS 133 N 5.43 1.81 0.00 4.03 2.85 -1.24 -2.95 118.16 128.08 1b4m n LYS 133 Ca -0.09 0.65 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 1b4m n LYS 133 Cb 0.49 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71