#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 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -3.29 2.30 0.00 -2.82 3.00 -1.26 -4.65 118.16 111.44 1b4m n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1b4m n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1b4m n LYS 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1b4m n ASP 4 N 0.00 -0.86 -3.56 3.14 2.03 -1.26 -4.93 116.55 111.10 1b4m n ASP 4 Ca 0.00 -0.55 -0.13 0.00 0.52 0.00 0.00 54.79 54.63 1b4m n ASP 4 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1b4m n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m s GLN 5 N -2.92 0.77 0.90 -0.67 -2.07 -1.26 -4.93 119.66 109.49 1b4m s GLN 5 Ca 0.00 0.28 -0.15 0.00 -1.82 0.00 0.00 55.36 53.66 1b4m s GLN 5 Cb 0.00 0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 32.22 1b4m s GLN 5 CO 0.00 -0.22 -0.12 0.09 -1.32 0.00 0.00 175.29 173.72 1b4m n ASN 6 N 1.04 -3.71 0.00 12.60 3.02 -1.26 -4.89 115.26 122.06 1b4m n ASN 6 Ca -0.14 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1b4m n ASN 6 Cb 0.57 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b4m n GLY 7 N 2.42 -0.82 3.07 7.41 0.00 -1.14 -4.99 105.19 111.14 1b4m n GLY 7 Ca 0.04 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.88 0.06 -0.03 2.61 2.01 -1.26 -2.32 115.64 113.83 1b4m s THR 8 Ca 0.00 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1b4m s THR 8 Cb 0.00 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.19 1b4m s THR 8 CO 0.00 -0.28 0.05 0.26 -0.69 0.00 0.00 174.62 173.96 1b4m s TRP 9 N -0.96 -0.00 -1.50 4.92 0.52 0.31 0.23 118.94 122.46 1b4m s TRP 9 Ca -0.11 0.18 0.28 0.00 0.02 0.00 0.00 56.10 56.47 1b4m s TRP 9 Cb -0.06 -0.21 0.99 0.00 -1.15 0.00 0.00 33.47 33.03 1b4m s TRP 9 CO 0.01 -0.10 1.72 0.39 0.02 0.00 0.00 176.95 178.98 1b4m n GLU 10 N 4.18 0.54 -2.92 4.98 -0.58 -1.21 0.16 120.64 125.79 1b4m n GLU 10 Ca -0.28 -0.23 -0.07 0.00 -0.42 0.00 0.00 57.16 56.16 1b4m n GLU 10 Cb 0.50 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1b4m n MET 11 N -1.03 -2.52 -0.11 3.49 0.00 -1.26 -4.58 117.12 111.12 1b4m n MET 11 Ca 0.12 2.14 0.10 0.00 -0.00 0.00 0.00 57.70 60.06 1b4m n MET 11 Cb 0.31 -4.48 0.17 0.00 0.00 0.00 0.00 33.22 29.23 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b4m n GLU 12 N 0.37 -0.01 0.00 2.12 2.13 -0.86 -4.56 120.64 119.83 1b4m n GLU 12 Ca 0.03 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1b4m n GLU 12 Cb 0.30 -0.68 0.00 0.00 0.27 0.00 0.00 31.44 31.33 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 -3.40 0.00 -4.85 4.31 3.41 -0.57 -5.04 113.62 107.48 1b4m n SER 13 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.50 1b4m n SER 13 Cb 0.39 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.00 5.62 0.07 4.04 4.22 -1.26 -2.09 114.94 125.53 1b4m s ASN 14 Ca 0.00 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1b4m s ASN 14 Cb 0.00 -1.40 0.00 0.00 1.28 0.00 0.00 41.25 41.13 1b4m s ASN 14 CO 0.00 -0.10 0.00 1.21 -2.04 0.00 0.00 177.10 176.17 1b4m n GLU 15 N -1.25 0.00 -3.75 3.55 4.07 -1.26 -4.88 120.64 117.12 1b4m n GLU 15 Ca -0.07 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.74 1b4m n GLU 15 Cb 0.58 -0.24 -0.12 0.00 -0.06 0.00 0.00 31.44 31.60 1b4m n GLU 15 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1b4m s ASN 16 N -5.41 3.73 -0.23 4.31 2.47 -1.26 -4.89 114.94 113.66 1b4m s ASN 16 Ca 0.00 -3.07 -0.06 0.00 0.42 0.00 0.00 52.86 50.14 1b4m s ASN 16 Cb 0.00 -1.19 -0.18 0.00 -1.45 0.00 0.00 41.25 38.42 1b4m s ASN 16 CO 0.00 -0.20 -0.07 0.33 -3.72 0.00 0.00 177.10 173.45 1b4m n PHE 17 N 2.96 0.42 0.10 0.43 7.35 -1.26 -3.87 117.46 123.59 1b4m n PHE 17 Ca 0.14 0.12 -0.16 0.00 -0.76 0.00 0.00 57.45 56.78 1b4m n PHE 17 Cb 0.36 -1.05 -0.13 0.00 0.35 0.00 0.00 39.48 39.01 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1b4m h GLU 18 N -0.33 0.30 0.00 -4.13 4.81 -1.97 -3.26 114.58 110.00 1b4m h GLU 18 Ca -0.55 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.14 1b4m h GLU 18 Cb 1.80 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 1b4m h GLU 18 CO -0.14 1.22 -0.23 0.78 -0.73 0.00 0.00 179.01 179.92 1b4m h GLY 19 N 1.46 0.00 1.68 1.92 0.00 -1.93 -2.92 103.07 103.28 1b4m h GLY 19 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1b4m h GLY 19 CO 0.21 0.00 0.06 -1.82 0.00 0.00 0.00 176.54 174.98 1b4m h TYR 20 N 0.00 0.42 0.00 5.60 3.20 -1.67 0.94 116.97 125.46 1b4m h TYR 20 Ca -0.00 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1b4m h TYR 20 Cb 1.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1b4m h TYR 20 CO 0.00 0.38 -0.47 0.52 -1.64 0.00 0.00 178.16 176.95 1b4m h MET 21 N 0.41 0.00 0.00 1.82 2.86 -1.59 -2.93 114.93 115.51 1b4m h MET 21 Ca 0.10 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.55 1b4m h MET 21 Cb 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1b4m h MET 21 CO -0.00 0.47 -0.91 0.87 1.06 0.00 0.00 176.91 178.41 1b4m h LYS 22 N 0.00 0.00 -0.46 1.72 1.57 -0.73 0.42 116.57 119.10 1b4m h LYS 22 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1b4m h LYS 22 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1b4m h LYS 22 CO 0.06 0.90 0.23 0.00 -0.57 0.00 0.00 179.45 180.07 1b4m h ALA 23 N 1.10 0.57 0.00 3.86 0.00 0.98 -0.79 119.26 124.98 1b4m h ALA 23 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1b4m h ALA 23 Cb 1.70 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1b4m h ALA 23 CO 0.12 -0.12 -1.01 1.37 0.00 0.00 0.00 179.25 179.60 1b4m h LEU 24 N 0.46 0.00 -2.85 0.00 8.10 -1.66 -3.46 115.31 115.89 1b4m h LEU 24 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.19 1b4m h LEU 24 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 1b4m h LEU 24 CO -0.14 0.71 0.00 -0.67 -4.11 0.00 0.00 178.44 174.23 1b4m n ASP 25 N -3.15 -1.90 -0.44 0.17 2.03 -0.30 -5.04 116.55 107.92 1b4m n ASP 25 Ca -0.04 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.30 1b4m n ASP 25 Cb 0.85 -0.95 0.04 0.00 -0.72 0.00 0.00 41.12 40.35 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n ILE 26 N 0.02 0.55 -1.53 5.18 3.06 0.14 -4.94 119.36 121.84 1b4m n ILE 26 Ca 0.00 -0.73 -0.36 0.00 -2.50 0.00 0.00 62.75 59.15 1b4m n ILE 26 Cb 0.00 0.31 -0.07 0.00 0.54 0.00 0.00 39.64 40.42 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1b4m n ASP 27 N -0.38 1.61 -0.21 9.51 5.68 -1.26 -4.60 116.55 126.90 1b4m n ASP 27 Ca 0.05 -0.34 0.02 0.00 -0.50 0.00 0.00 54.79 54.02 1b4m n ASP 27 Cb 0.71 -1.37 0.03 0.00 -1.14 0.00 0.00 41.12 39.35 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1b4m n PHE 28 N 14.25 0.00 -3.91 2.11 3.72 -1.26 -4.98 117.46 127.39 1b4m n PHE 28 Ca 0.47 -0.28 -0.31 0.00 -0.05 0.00 0.00 57.45 57.27 1b4m n PHE 28 Cb 0.38 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4m n ALA 29 N -0.37 -1.20 0.89 4.37 0.00 -1.26 -4.79 120.51 118.15 1b4m n ALA 29 Ca 0.03 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1b4m n ALA 29 Cb 0.57 -3.47 0.11 0.00 0.00 0.00 0.00 19.45 16.66 1b4m n ALA 29 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b4m n THR 30 N -4.29 0.05 -3.15 0.00 5.66 -1.26 -4.91 114.28 106.38 1b4m n THR 30 Ca 0.05 -0.06 -0.05 0.00 -3.05 0.00 0.00 64.05 60.93 1b4m n THR 30 Cb 0.51 0.40 0.01 0.00 -1.55 0.00 0.00 70.33 69.71 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1b4m n ARG 31 N -1.62 0.99 -0.03 1.09 -4.01 -1.26 -4.78 116.66 107.04 1b4m n ARG 31 Ca 0.04 -0.78 0.00 0.00 -1.04 0.00 0.00 57.85 56.07 1b4m n ARG 31 Cb 0.36 -0.02 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1b4m n LYS 32 N -1.20 0.00 0.00 2.89 -0.00 -1.26 -4.78 118.16 113.81 1b4m n LYS 32 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1b4m n LYS 32 Cb 0.15 -0.66 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1b4m n ILE 33 N -2.00 0.30 -1.71 0.58 -6.64 -1.26 -4.62 119.36 104.00 1b4m n ILE 33 Ca 0.00 -0.50 0.01 0.00 -1.77 0.00 0.00 62.75 60.49 1b4m n ILE 33 Cb 0.00 1.02 0.17 0.00 -1.44 0.00 0.00 39.64 39.39 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b4m n ALA 34 N -0.15 3.85 -0.33 -1.28 0.00 -1.26 -4.77 120.51 116.57 1b4m n ALA 34 Ca 0.00 -3.36 0.24 0.00 0.00 0.00 0.00 53.44 50.33 1b4m n ALA 34 Cb 0.18 -0.36 0.46 0.00 0.00 0.00 0.00 19.45 19.73 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 1.43 0.07 0.00 0.00 2.07 -1.98 -3.43 116.25 114.41 1b4m h VAL 35 Ca 0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1b4m h VAL 35 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1b4m h VAL 35 CO 0.13 0.01 0.00 -1.14 0.02 0.00 0.00 177.57 176.59 1b4m n ARG 36 N -5.30 0.00 -3.50 1.57 0.00 -1.26 -5.02 116.66 103.15 1b4m n ARG 36 Ca 0.32 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.98 1b4m n ARG 36 Cb 1.05 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 33.38 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 -0.11 -0.41 6.15 2.34 -1.26 -4.83 118.68 120.56 1b4m s LEU 37 Ca 0.00 -0.18 0.00 0.00 0.06 0.00 0.00 54.13 54.01 1b4m s LEU 37 Cb 0.00 0.39 0.00 0.00 -0.56 0.00 0.00 46.19 46.02 1b4m s LEU 37 CO 0.00 -0.32 0.00 0.41 -1.06 0.00 0.00 176.35 175.38 1b4m n THR 38 N 5.32 -0.11 -2.11 5.48 -1.04 -1.26 -2.30 114.28 118.26 1b4m n THR 38 Ca -0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1b4m n THR 38 Cb 0.50 -0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N -3.37 3.47 -0.28 -2.82 0.74 -1.26 -2.86 119.66 113.29 1b4m s GLN 39 Ca 0.00 1.33 -0.03 0.00 0.05 0.00 0.00 55.36 56.71 1b4m s GLN 39 Cb 0.00 -4.13 0.09 0.00 1.10 0.00 0.00 33.01 30.08 1b4m s GLN 39 CO 0.00 -1.69 0.11 0.99 -0.55 0.00 0.00 175.29 174.15 1b4m s THR 40 N 6.23 0.21 0.25 -0.34 2.01 -1.26 -4.61 115.64 118.13 1b4m s THR 40 Ca 0.74 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1b4m s THR 40 Cb -0.20 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.10 1b4m s THR 40 CO 0.33 -0.64 1.01 -0.75 -0.69 0.00 0.00 174.62 173.88 1b4m s LYS 41 N 1.96 4.77 0.24 4.92 2.36 0.42 -1.59 119.74 132.82 1b4m s LYS 41 Ca 0.08 1.62 0.08 0.00 -2.55 0.00 0.00 55.97 55.19 1b4m s LYS 41 Cb -0.16 -3.25 -0.05 0.00 -1.05 0.00 0.00 37.83 33.32 1b4m s LYS 41 CO -0.29 0.38 -0.13 0.42 1.55 0.00 0.00 175.35 177.28 1b4m s ILE 42 N -1.12 1.84 -0.04 5.43 1.09 0.50 0.12 121.20 129.01 1b4m s ILE 42 Ca 0.43 -2.22 -0.00 0.00 -1.10 0.00 0.00 60.65 57.76 1b4m s ILE 42 Cb -0.28 -2.21 0.03 0.00 -1.06 0.00 0.00 42.46 38.93 1b4m s ILE 42 CO 0.35 -0.47 0.00 -0.51 -0.10 0.00 0.00 174.94 174.21 1b4m s ILE 43 N -2.90 0.23 -0.48 2.92 -1.16 -0.98 0.69 121.20 119.51 1b4m s ILE 43 Ca 0.26 0.12 0.03 0.00 -0.51 0.00 0.00 60.65 60.54 1b4m s ILE 43 Cb -0.00 -0.35 0.15 0.00 0.61 0.00 0.00 42.46 42.86 1b4m s ILE 43 CO 0.10 0.19 0.30 -0.69 -2.81 0.00 0.00 174.94 172.02 1b4m s VAL 44 N 1.39 1.51 -0.07 4.00 1.01 -1.22 -2.86 120.40 124.16 1b4m s VAL 44 Ca -0.04 -2.88 -0.09 0.00 0.00 0.00 0.00 61.98 58.96 1b4m s VAL 44 Cb -0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1b4m s VAL 44 CO -0.02 -0.97 0.24 -1.58 0.00 0.00 0.00 175.10 172.77 1b4m s GLN 45 N -0.01 3.61 -0.06 2.72 -0.44 -1.26 -0.15 119.66 124.06 1b4m s GLN 45 Ca 0.21 0.05 0.12 0.00 -2.50 0.00 0.00 55.36 53.24 1b4m s GLN 45 Cb -0.16 -3.19 0.23 0.00 -1.64 0.00 0.00 33.01 28.25 1b4m s GLN 45 CO -0.06 0.74 1.13 -3.47 0.50 0.00 0.00 175.29 174.13 1b4m n ASP 46 N 1.85 -0.18 0.00 6.67 2.03 -1.26 -4.74 116.55 120.92 1b4m n ASP 46 Ca -0.17 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.11 1b4m n ASP 46 Cb 0.54 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N -0.06 1.95 2.58 0.27 0.00 -1.26 -4.68 105.19 104.00 1b4m n GLY 47 Ca -0.13 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1b4m n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b4m s ASP 48 N -0.03 3.59 0.00 1.61 1.01 -1.26 -4.85 116.67 116.75 1b4m s ASP 48 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 52.55 51.71 1b4m s ASP 48 Cb 0.00 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.42 1b4m s ASP 48 CO 0.00 -0.41 0.00 -3.20 0.21 0.00 0.00 175.17 171.77 1b4m n ASN 49 N 4.92 0.00 -4.68 0.27 5.15 -1.26 -5.03 115.26 114.64 1b4m n ASN 49 Ca -0.02 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.57 1b4m n ASN 49 Cb 0.41 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.60 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 -0.01 3.43 -0.45 1.20 2.19 -1.20 -4.16 117.98 118.97 1b4m s PHE 50 Ca 0.00 0.89 0.04 0.00 0.33 0.00 0.00 56.93 58.19 1b4m s PHE 50 Cb 0.00 -2.69 0.17 0.00 -1.31 0.00 0.00 43.02 39.19 1b4m s PHE 50 CO 0.00 -0.04 0.36 0.15 1.83 0.00 0.00 175.22 177.52 1b4m s LYS 51 N 1.39 1.13 0.85 10.12 1.02 0.79 -1.29 119.74 133.74 1b4m s LYS 51 Ca 0.27 -2.29 -0.12 0.00 0.02 0.00 0.00 55.97 53.85 1b4m s LYS 51 Cb -0.16 -1.71 0.11 0.00 -0.52 0.00 0.00 37.83 35.56 1b4m s LYS 51 CO 0.11 -1.37 1.18 0.99 -0.92 0.00 0.00 175.35 175.34 1b4m s THR 52 N -0.16 2.04 -0.26 2.17 2.01 -1.15 -3.40 115.64 116.89 1b4m s THR 52 Ca 0.32 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.07 1b4m s THR 52 Cb 0.03 -2.26 0.12 0.00 0.01 0.00 0.00 72.50 70.40 1b4m s THR 52 CO -0.19 -0.01 1.01 -1.59 -0.69 0.00 0.00 174.62 173.14 1b4m s LYS 53 N -4.35 0.54 0.39 4.92 -2.85 0.22 0.96 119.74 119.57 1b4m s LYS 53 Ca 0.71 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 1b4m s LYS 53 Cb -0.26 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.74 1b4m s LYS 53 CO 0.54 -0.08 0.60 -0.08 0.10 0.00 0.00 175.35 176.42 1b4m s THR 54 N 0.02 4.76 -0.11 3.79 -1.32 -1.26 0.19 115.64 121.71 1b4m s THR 54 Ca 0.02 -0.42 0.17 0.00 -1.21 0.00 0.00 61.69 60.24 1b4m s THR 54 Cb -0.04 -3.75 0.39 0.00 -1.51 0.00 0.00 72.50 67.59 1b4m s THR 54 CO -0.05 -0.52 1.18 -3.20 -2.21 0.00 0.00 174.62 169.83 1b4m n ASN 55 N -1.91 1.40 -4.76 8.08 2.85 -0.62 -4.57 115.26 115.73 1b4m n ASN 55 Ca -0.03 -3.03 -0.38 0.00 -0.11 0.00 0.00 54.58 51.03 1b4m n ASN 55 Cb 0.57 -0.42 0.02 0.00 1.24 0.00 0.00 39.78 41.18 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1b4m s SER 56 N -2.63 5.71 0.47 1.20 1.04 -1.13 -4.75 113.70 113.62 1b4m s SER 56 Ca 0.34 2.60 0.21 0.00 0.48 0.00 0.00 55.95 59.58 1b4m s SER 56 Cb 0.35 -2.63 1.19 0.00 0.10 0.00 0.00 66.02 65.03 1b4m s SER 56 CO -0.10 -1.25 2.01 0.74 0.98 0.00 0.00 173.24 175.62 1b4m h THR 57 N 1.74 0.86 0.00 2.02 2.02 -1.68 -3.28 112.91 114.59 1b4m h THR 57 Ca -0.50 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1b4m h THR 57 Cb 1.27 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1b4m h THR 57 CO 0.59 0.17 0.00 0.49 0.37 0.00 0.00 175.52 177.14 1b4m n PHE 58 N -3.94 0.00 -3.81 3.16 3.01 -1.26 -4.84 117.46 109.78 1b4m n PHE 58 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 1b4m n PHE 58 Cb 0.26 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.58 1b4m n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1b4m s ARG 59 N -0.10 2.40 -1.25 -1.08 0.52 -1.25 -4.95 118.95 113.24 1b4m s ARG 59 Ca 0.00 -2.70 -0.06 0.00 -0.52 0.00 0.00 55.73 52.45 1b4m s ARG 59 Cb 0.00 -3.57 0.18 0.00 0.52 0.00 0.00 34.95 32.08 1b4m s ARG 59 CO 0.00 -1.17 2.10 0.27 0.02 0.00 0.00 175.30 176.52 1b4m n ASN 60 N 3.11 7.10 -4.56 0.23 0.23 -1.24 -4.53 115.26 115.62 1b4m n ASN 60 Ca 0.09 -3.25 -0.43 0.00 -0.53 0.00 0.00 54.58 50.47 1b4m n ASN 60 Cb 0.35 -1.35 -0.06 0.00 -2.08 0.00 0.00 39.78 36.65 1b4m n ASN 60 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1b4m s TYR 61 N -1.45 3.05 0.69 -2.53 6.14 -1.26 -4.84 117.35 117.15 1b4m s TYR 61 Ca 0.46 0.29 -0.11 0.00 0.64 0.00 0.00 57.07 58.35 1b4m s TYR 61 Cb 0.15 -3.52 0.01 0.00 0.42 0.00 0.00 41.96 39.02 1b4m s TYR 61 CO -0.06 -0.87 1.07 0.16 0.64 0.00 0.00 175.55 176.49 1b4m s ASP 62 N 2.01 5.50 -0.63 4.32 1.47 -1.26 -4.17 116.67 123.90 1b4m s ASP 62 Ca 0.29 1.39 0.01 0.00 1.18 0.00 0.00 52.55 55.42 1b4m s ASP 62 Cb -0.13 -2.28 0.41 0.00 -0.34 0.00 0.00 42.92 40.58 1b4m s ASP 62 CO 0.20 -1.34 1.73 -0.11 0.68 0.00 0.00 175.17 176.33 1b4m n LEU 63 N -3.04 6.67 -4.56 2.11 7.94 0.27 -4.97 117.00 121.42 1b4m n LEU 63 Ca 0.07 -4.73 -0.34 0.00 -1.11 0.00 0.00 56.01 49.90 1b4m n LEU 63 Cb 0.55 -0.82 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 1b4m n LEU 63 CO 0.57 1.82 1.45 -0.62 -1.11 0.00 0.00 177.39 179.49 1b4m s ASP 64 N -2.15 5.40 -0.27 1.96 -1.08 -1.26 -2.93 116.67 116.34 1b4m s ASP 64 Ca 0.55 -0.31 -0.18 0.00 -0.52 0.00 0.00 52.55 52.09 1b4m s ASP 64 Cb 0.45 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 39.44 1b4m s ASP 64 CO -0.18 -2.40 0.68 0.72 0.52 0.00 0.00 175.17 174.51 1b4m s PHE 65 N 8.83 -0.98 0.73 -5.34 -0.71 -0.42 -5.01 117.98 115.09 1b4m s PHE 65 Ca 0.64 2.05 -0.07 0.00 -1.04 0.00 0.00 56.93 58.51 1b4m s PHE 65 Cb -0.09 0.54 0.09 0.00 -1.21 0.00 0.00 43.02 42.35 1b4m s PHE 65 CO 0.09 -0.49 1.04 0.99 -1.34 0.00 0.00 175.22 175.51 1b4m s THR 66 N 1.34 2.23 0.11 -4.49 2.01 -1.26 -3.26 115.64 112.33 1b4m s THR 66 Ca -0.08 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1b4m s THR 66 Cb -0.05 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.45 1b4m s THR 66 CO -0.15 0.00 0.87 -0.69 -0.69 0.00 0.00 174.62 173.96 1b4m s VAL 67 N -3.30 4.50 0.00 3.82 1.01 -1.26 -3.72 120.40 121.45 1b4m s VAL 67 Ca 0.63 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.49 1b4m s VAL 67 Cb -0.09 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1b4m s VAL 67 CO 0.45 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1b4m n GLY 68 N 2.11 0.16 0.33 4.51 0.00 0.21 -4.77 105.19 107.73 1b4m n GLY 68 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4m h VAL 69 N 0.00 0.10 -5.48 1.61 3.04 -1.80 -3.46 116.25 110.26 1b4m h VAL 69 Ca 0.00 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 1b4m h VAL 69 Cb 0.45 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1b4m h VAL 69 CO 0.00 0.00 -0.22 1.21 -1.01 0.00 0.00 177.57 177.55 1b4m n GLU 70 N -3.21 -1.60 -2.11 4.17 2.13 -1.26 -4.90 120.64 113.85 1b4m n GLU 70 Ca -0.03 1.59 -0.40 0.00 0.66 0.00 0.00 57.16 58.99 1b4m n GLU 70 Cb 0.09 -5.41 -0.01 0.00 0.27 0.00 0.00 31.44 26.37 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b4m s PHE 71 N -2.87 2.97 -0.59 4.31 5.36 0.26 -4.81 117.98 122.60 1b4m s PHE 71 Ca 0.07 1.43 0.06 0.00 -0.96 0.00 0.00 56.93 57.52 1b4m s PHE 71 Cb -0.02 -3.64 0.31 0.00 -0.34 0.00 0.00 43.02 39.33 1b4m s PHE 71 CO 0.77 -1.88 0.87 -3.47 -1.46 0.00 0.00 175.22 170.05 1b4m n ASP 72 N 0.47 4.08 -4.67 6.13 2.03 -1.26 0.14 116.55 123.48 1b4m n ASP 72 Ca 0.02 -3.57 -0.41 0.00 0.52 0.00 0.00 54.79 51.34 1b4m n ASP 72 Cb 0.43 -0.60 0.01 0.00 -0.72 0.00 0.00 41.12 40.24 1b4m n ASP 72 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1b4m n GLU 73 N 0.15 1.68 -0.40 -0.67 2.13 0.32 -4.76 120.64 119.08 1b4m n GLU 73 Ca 0.30 0.60 0.08 0.00 0.66 0.00 0.00 57.16 58.81 1b4m n GLU 73 Cb 0.41 -2.25 0.24 0.00 0.27 0.00 0.00 31.44 30.11 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1b4m n HIS 74 N -0.35 0.85 -0.05 4.31 8.25 -1.26 -0.65 115.22 126.32 1b4m n HIS 74 Ca 0.08 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1b4m n HIS 74 Cb 0.39 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N -0.41 0.00 -3.77 1.59 -2.24 -1.26 -4.14 114.28 104.05 1b4m n THR 75 Ca 0.20 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1b4m n THR 75 Cb 0.83 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1b4m n THR 75 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1b4m s LYS 76 N 0.00 0.54 0.00 -0.78 -2.85 -1.26 -0.88 119.74 114.51 1b4m s LYS 76 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1b4m s LYS 76 Cb 0.00 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1b4m s LYS 76 CO 0.00 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.74 1b4m n GLY 77 N 1.93 2.70 0.06 0.59 0.00 -1.26 -4.73 105.19 104.48 1b4m n GLY 77 Ca -0.18 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 0.75 0.00 0.99 7.94 -1.26 -5.01 117.00 120.41 1b4m n LEU 78 Ca 0.00 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 54.11 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 0.17 0.00 -0.90 -1.11 0.00 0.00 177.39 175.55 1b4m n ASP 79 N -0.36 0.00 0.00 1.96 5.68 -1.26 -4.78 116.55 117.79 1b4m n ASP 79 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1b4m n ASP 79 Cb 0.05 0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4m n GLY 80 N -1.34 0.52 0.00 6.12 0.00 -0.93 -4.98 105.19 104.57 1b4m n GLY 80 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 0.00 0.00 1.61 3.00 -0.06 -5.03 116.66 116.19 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b4m n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1b4m n ARG 81 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1b4m n ASN 82 N 0.00 0.00 -4.00 6.15 0.23 -1.26 -4.51 115.26 111.87 1b4m n ASN 82 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 1b4m n ASN 82 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1b4m s VAL 83 N 0.00 0.06 0.86 3.53 1.01 0.17 -4.98 120.40 121.06 1b4m s VAL 83 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 61.98 60.38 1b4m s VAL 83 Cb 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.56 1b4m s VAL 83 CO 0.00 -0.27 1.12 -0.54 0.00 0.00 0.00 175.10 175.40 1b4m s LYS 84 N -3.99 1.53 -0.35 2.72 3.01 -1.20 -0.52 119.74 120.94 1b4m s LYS 84 Ca 0.20 0.45 -0.06 0.00 -1.01 0.00 0.00 55.97 55.55 1b4m s LYS 84 Cb 0.04 -1.87 0.19 0.00 -1.01 0.00 0.00 37.83 35.18 1b4m s LYS 84 CO 0.02 -1.96 1.00 0.99 0.51 0.00 0.00 175.35 175.91 1b4m s THR 85 N -3.22 -0.33 -0.43 2.17 2.01 0.38 -2.77 115.64 113.45 1b4m s THR 85 Ca 0.63 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 1b4m s THR 85 Cb -0.15 0.00 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1b4m s THR 85 CO 0.54 0.00 0.63 -0.22 -0.69 0.00 0.00 174.62 174.88 1b4m s LEU 86 N 1.62 4.52 0.43 4.42 2.96 -0.04 0.89 118.68 133.48 1b4m s LEU 86 Ca 0.18 -0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1b4m s LEU 86 Cb 0.05 -2.71 -0.10 0.00 0.50 0.00 0.00 46.19 43.93 1b4m s LEU 86 CO -0.12 -0.76 0.93 -0.69 -1.32 0.00 0.00 176.35 174.38 1b4m s VAL 87 N 2.77 4.45 -0.14 1.68 1.01 -1.26 -0.54 120.40 128.36 1b4m s VAL 87 Ca 0.22 1.38 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1b4m s VAL 87 Cb -0.14 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1b4m s VAL 87 CO 0.18 -0.35 0.70 -0.89 0.00 0.00 0.00 175.10 174.75 1b4m s THR 88 N -2.21 0.00 -0.07 3.92 2.01 0.98 -0.62 115.64 119.65 1b4m s THR 88 Ca 0.61 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.36 1b4m s THR 88 Cb -0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1b4m s THR 88 CO 0.16 0.00 0.74 0.26 -0.69 0.00 0.00 174.62 175.09 1b4m s TRP 89 N -0.53 3.56 -1.09 4.92 0.23 -1.26 -2.38 118.94 122.39 1b4m s TRP 89 Ca -0.06 1.29 0.21 0.00 -2.03 0.00 0.00 56.10 55.51 1b4m s TRP 89 Cb -0.02 -2.86 -0.16 0.00 0.03 0.00 0.00 33.47 30.46 1b4m s TRP 89 CO 0.06 0.03 0.95 -1.91 0.96 0.00 0.00 176.95 177.04 1b4m n GLU 90 N 3.99 0.11 0.00 4.98 0.00 -1.26 -4.97 120.64 123.48 1b4m n GLU 90 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1b4m n GLU 90 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.45 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 91 N 1.49 0.48 2.67 8.31 0.00 -1.26 -4.95 105.19 111.93 1b4m n GLY 91 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1b4m n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4m s ASN 92 N -3.28 3.81 0.00 1.61 2.20 -1.26 -4.25 114.94 113.77 1b4m s ASN 92 Ca 0.00 -1.48 0.00 0.00 -0.94 0.00 0.00 52.86 50.44 1b4m s ASN 92 Cb 0.00 -0.68 0.00 0.00 -2.00 0.00 0.00 41.25 38.57 1b4m s ASN 92 CO 0.00 -0.42 0.00 1.07 -2.94 0.00 0.00 177.10 174.81 1b4m n THR 93 N 4.99 0.00 0.00 0.54 5.66 -1.11 -4.61 114.28 119.75 1b4m n THR 93 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1b4m n THR 93 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1b4m n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1b4m n LEU 94 N 0.00 0.00 -4.72 1.09 7.94 -1.25 -4.65 117.00 115.40 1b4m n LEU 94 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1b4m n LEU 94 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1b4m n LEU 94 CO 0.00 0.00 0.84 -0.69 -1.11 0.00 0.00 177.39 176.43 1b4m s VAL 95 N 0.00 3.94 -0.03 1.96 1.01 -1.00 -2.64 120.40 123.64 1b4m s VAL 95 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1b4m s VAL 95 Cb 0.00 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1b4m s VAL 95 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1b4m s VAL 97 N 1.03 4.58 -0.93 0.00 1.01 0.29 -3.48 120.40 122.91 1b4m s VAL 97 Ca -0.10 -1.72 -0.24 0.00 0.00 0.00 0.00 61.98 59.92 1b4m s VAL 97 Cb -0.14 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1b4m s VAL 97 CO -0.02 -0.82 1.40 -1.58 0.00 0.00 0.00 175.10 174.09 1b4m s GLN 98 N 1.39 3.45 -1.04 2.72 2.00 -1.26 -0.87 119.66 126.05 1b4m s GLN 98 Ca 0.05 -0.83 -0.23 0.00 -2.00 0.00 0.00 55.36 52.36 1b4m s GLN 98 Cb -0.27 -4.99 0.01 0.00 0.80 0.00 0.00 33.01 28.56 1b4m s GLN 98 CO 0.00 -2.21 1.71 0.15 -0.50 0.00 0.00 175.29 174.44 1b4m s LYS 99 N 5.25 3.19 0.35 1.67 -0.14 -1.11 -4.33 119.74 124.62 1b4m s LYS 99 Ca 0.43 -0.99 0.09 0.00 -1.36 0.00 0.00 55.97 54.13 1b4m s LYS 99 Cb -0.03 -5.28 -0.06 0.00 -1.68 0.00 0.00 37.83 30.78 1b4m s LYS 99 CO -0.02 -2.80 -0.04 0.20 -0.76 0.00 0.00 175.35 171.93 1b4m s GLY 100 N 6.01 2.20 -0.22 -3.33 0.00 -1.26 -3.21 107.32 107.52 1b4m s GLY 100 Ca 0.57 -2.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 1b4m s GLY 100 CO -0.02 -2.00 -0.01 1.85 0.00 0.00 0.00 173.10 172.93 1b4m s GLU 101 N -3.66 1.15 0.00 2.90 2.12 -1.26 -4.63 118.70 115.32 1b4m s GLU 101 Ca 0.34 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1b4m s GLU 101 Cb 0.03 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 32.06 1b4m s GLU 101 CO 0.18 -0.64 0.00 1.17 -0.54 0.00 0.00 175.26 175.43 1b4m n LYS 102 N 4.84 0.00 -3.87 4.30 0.00 -1.26 -5.04 118.16 117.13 1b4m n LYS 102 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.11 1b4m n LYS 102 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.40 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N 0.00 0.71 -0.22 1.64 4.04 -1.26 -4.88 118.70 118.74 1b4m s GLU 103 Ca 0.00 -0.75 -0.02 0.00 0.04 0.00 0.00 54.97 54.25 1b4m s GLU 103 Cb 0.00 0.29 0.01 0.00 0.02 0.00 0.00 34.13 34.45 1b4m s GLU 103 CO 0.00 -0.21 -0.09 -0.80 -1.84 0.00 0.00 175.26 172.32 1b4m s ASN 104 N -2.31 3.96 -0.03 0.83 0.01 -1.26 -4.19 114.94 111.95 1b4m s ASN 104 Ca -0.02 -0.61 0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1b4m s ASN 104 Cb 0.01 -1.64 0.34 0.00 0.41 0.00 0.00 41.25 40.37 1b4m s ASN 104 CO -0.06 -0.05 1.28 0.54 -1.51 0.00 0.00 177.10 177.31 1b4m n ARG 105 N 4.71 2.89 -1.53 -0.60 5.12 -1.26 0.08 116.66 126.06 1b4m n ARG 105 Ca -0.18 -2.19 -0.23 0.00 -1.93 0.00 0.00 57.85 53.32 1b4m n ARG 105 Cb 0.49 -1.37 -0.12 0.00 -1.16 0.00 0.00 32.46 30.30 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b4m n GLY 106 N 0.31 -0.24 3.69 -0.13 0.00 -1.26 -4.32 105.19 103.24 1b4m n GLY 106 Ca 0.13 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 1b4m n GLY 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1b4m s TRP 107 N 9.43 3.11 0.30 1.61 -2.14 -1.23 -3.41 118.94 126.61 1b4m s TRP 107 Ca 1.10 0.12 -0.18 0.00 2.66 0.00 0.00 56.10 59.81 1b4m s TRP 107 Cb -0.48 -1.71 0.02 0.00 -3.10 0.00 0.00 33.47 28.20 1b4m s TRP 107 CO 0.30 0.47 0.68 -1.59 -2.66 0.00 0.00 176.95 174.15 1b4m s LYS 108 N -1.34 1.85 0.47 3.25 -2.85 -1.15 -2.99 119.74 116.99 1b4m s LYS 108 Ca 0.18 -1.16 0.03 0.00 -1.00 0.00 0.00 55.97 54.01 1b4m s LYS 108 Cb -0.11 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 1b4m s LYS 108 CO 0.08 -0.84 0.03 -0.65 0.10 0.00 0.00 175.35 174.07 1b4m s GLN 109 N -3.56 2.08 0.13 1.78 -1.52 -1.08 -2.99 119.66 114.50 1b4m s GLN 109 Ca 0.15 -2.29 0.00 0.00 -1.95 0.00 0.00 55.36 51.26 1b4m s GLN 109 Cb -0.05 -1.33 0.00 0.00 -0.22 0.00 0.00 33.01 31.42 1b4m s GLN 109 CO 0.09 -0.33 0.00 0.91 -0.25 0.00 0.00 175.29 175.71 1b4m n TRP 110 N -1.12 -1.00 -1.04 0.91 7.02 -1.25 -3.85 117.44 117.11 1b4m n TRP 110 Ca -0.14 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1b4m n TRP 110 Cb 0.67 0.37 0.00 0.00 -2.42 0.00 0.00 31.31 29.92 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1b4m n VAL 111 N -3.14 -0.44 -1.25 -0.99 0.31 -1.26 -2.74 118.33 108.82 1b4m n VAL 111 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1b4m n VAL 111 Cb 0.07 -1.80 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 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 -0.85 2.14 0.00 5.55 -0.58 -0.94 -4.78 120.64 121.18 1b4m n GLU 112 Ca 0.00 -2.01 0.00 0.00 -0.42 0.00 0.00 57.16 54.73 1b4m n GLU 112 Cb 0.32 -2.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.26 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 4.21 1.67 0.04 0.62 0.00 -1.26 -4.07 105.19 106.40 1b4m n GLY 113 Ca 0.52 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 4.79 0.23 -1.24 1.61 8.00 -1.26 -5.04 116.55 123.65 1b4m n ASP 114 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1b4m n ASP 114 Cb 0.00 1.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -2.42 1.07 -3.40 -1.24 2.85 -1.26 -3.36 118.16 110.41 1b4m n LYS 115 Ca -0.15 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.92 1b4m n LYS 115 Cb 0.77 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.06 1b4m n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1b4m s LEU 116 N 0.00 0.02 0.10 -5.58 2.34 -1.26 -2.21 118.68 112.09 1b4m s LEU 116 Ca 0.00 -1.31 -0.31 0.00 0.06 0.00 0.00 54.13 52.56 1b4m s LEU 116 Cb 0.00 0.38 -0.11 0.00 -0.56 0.00 0.00 46.19 45.90 1b4m s LEU 116 CO 0.00 -0.33 1.85 -1.22 -1.06 0.00 0.00 176.35 175.59 1b4m n TYR 117 N 4.70 2.57 -2.80 3.48 4.01 -1.26 -4.65 117.16 123.21 1b4m n TYR 117 Ca 0.05 -0.15 -0.43 0.00 -0.16 0.00 0.00 57.90 57.21 1b4m n TYR 117 Cb 0.44 -2.73 0.01 0.00 -0.31 0.00 0.00 39.34 36.75 1b4m n TYR 117 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1b4m n LEU 118 N 5.83 6.30 -4.56 7.72 4.77 -1.26 -3.85 117.00 131.94 1b4m n LEU 118 Ca 0.19 -4.92 -0.31 0.00 -0.03 0.00 0.00 56.01 50.94 1b4m n LEU 118 Cb 0.37 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 1b4m n LEU 118 CO 0.67 1.45 1.40 -1.61 -1.33 0.00 0.00 177.39 177.96 1b4m s GLU 119 N -1.07 2.72 0.25 3.23 2.02 -1.16 -4.25 118.70 120.45 1b4m s GLU 119 Ca 0.35 -0.25 0.06 0.00 0.02 0.00 0.00 54.97 55.15 1b4m s GLU 119 Cb 0.04 -4.97 -0.03 0.00 0.10 0.00 0.00 34.13 29.27 1b4m s GLU 119 CO 0.04 -3.09 0.29 -0.48 0.02 0.00 0.00 175.26 172.04 1b4m s LEU 120 N 9.14 4.05 0.35 1.80 0.05 -1.25 -2.91 118.68 129.91 1b4m s LEU 120 Ca 0.65 -0.11 0.06 0.00 0.05 0.00 0.00 54.13 54.79 1b4m s LEU 120 Cb -0.07 -2.60 -0.07 0.00 -2.05 0.00 0.00 46.19 41.40 1b4m s LEU 120 CO 0.02 -0.08 0.01 -0.89 -0.55 0.00 0.00 176.35 174.86 1b4m s THR 121 N -2.07 1.64 -0.36 5.48 2.01 -1.22 -0.72 115.64 120.40 1b4m s THR 121 Ca 0.34 -2.04 0.05 0.00 0.31 0.00 0.00 61.69 60.36 1b4m s THR 121 Cb -0.08 -2.80 0.24 0.00 0.01 0.00 0.00 72.50 69.87 1b4m s THR 121 CO 0.27 -0.07 1.22 0.00 -0.69 0.00 0.00 174.62 175.36 1b4m n GLY 123 N -0.48 0.93 0.00 0.00 0.00 0.11 -4.24 105.19 101.50 1b4m n GLY 123 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1b4m n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 124 N 0.00 0.00 0.12 1.61 -0.08 -1.26 -4.78 116.55 112.16 1b4m n ASP 124 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1b4m n ASP 124 Cb 0.00 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.63 1b4m n ASP 124 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1b4m h GLN 125 N 0.00 0.00 -4.77 -0.67 1.08 -1.91 -3.48 115.11 105.36 1b4m h GLN 125 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1b4m h GLN 125 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1b4m h GLN 125 CO 0.00 0.00 -0.73 1.33 -0.95 0.00 0.00 178.83 178.48 1b4m n VAL 126 N -2.50 -1.83 -1.46 -0.54 0.24 -1.26 -4.86 118.33 106.12 1b4m n VAL 126 Ca 0.03 0.21 -0.36 0.00 -2.04 0.00 0.00 64.34 62.19 1b4m n VAL 126 Cb 0.49 -2.13 0.09 0.00 -1.47 0.00 0.00 33.84 30.82 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b4m n ARG 128 N -2.38 1.37 -0.51 0.00 0.00 -1.26 -3.74 116.66 110.14 1b4m n ARG 128 Ca 0.15 -3.78 -0.29 0.00 -0.00 0.00 0.00 57.85 53.92 1b4m n ARG 128 Cb 0.49 -1.65 0.24 0.00 0.00 0.00 0.00 32.46 31.54 1b4m n ARG 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b4m n GLN 129 N 1.31 -2.49 -3.54 -0.14 6.02 -1.26 -4.48 117.38 112.80 1b4m n GLN 129 Ca 0.25 -0.71 -0.25 0.00 -0.01 0.00 0.00 57.00 56.28 1b4m n GLN 129 Cb 0.48 -2.00 -0.15 0.00 1.02 0.00 0.00 30.24 29.59 1b4m n GLN 129 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1b4m s VAL 130 N -2.32 -0.15 0.30 5.09 1.01 -0.89 -4.65 120.40 118.78 1b4m s VAL 130 Ca 0.65 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1b4m s VAL 130 Cb -0.21 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1b4m s VAL 130 CO 0.65 -0.46 0.43 -0.36 0.00 0.00 0.00 175.10 175.36 1b4m s PHE 131 N 2.18 3.30 -0.12 5.22 0.40 -1.26 -1.51 117.98 126.19 1b4m s PHE 131 Ca 0.06 -0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1b4m s PHE 131 Cb -0.16 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.62 1b4m s PHE 131 CO -0.23 0.19 0.29 0.21 0.70 0.00 0.00 175.22 176.38 1b4m s LYS 132 N -4.11 0.25 -0.02 0.44 2.36 -1.26 -4.54 119.74 112.85 1b4m s LYS 132 Ca 0.40 0.61 -0.30 0.00 -2.55 0.00 0.00 55.97 54.12 1b4m s LYS 132 Cb -0.09 -0.09 -0.06 0.00 -1.05 0.00 0.00 37.83 36.54 1b4m s LYS 132 CO 0.31 -0.17 1.53 0.21 1.55 0.00 0.00 175.35 178.78 1b4m s LYS 133 N 1.36 4.22 0.00 4.03 2.20 -1.21 -3.69 119.74 126.65 1b4m s LYS 133 Ca -0.09 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1b4m s LYS 133 Cb -0.10 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1b4m s LYS 133 CO -0.10 -0.72 0.00 1.17 -0.36 0.00 0.00 175.35 175.34