#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m s THR 2 N 0.00 3.20 0.33 1.12 2.01 -1.26 -4.84 115.64 116.20 1b4m s THR 2 Ca 0.00 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1b4m s THR 2 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1b4m s THR 2 CO 0.00 -0.16 0.00 0.29 -0.69 0.00 0.00 174.62 174.06 1b4m n LYS 3 N -1.27 -2.57 -3.59 4.92 5.02 -1.26 -4.94 118.16 114.47 1b4m n LYS 3 Ca 0.11 1.77 -0.21 0.00 -2.02 0.00 0.00 58.31 57.96 1b4m n LYS 3 Cb 0.51 -3.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 1b4m n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1b4m n ASP 4 N -3.88 -5.60 0.00 4.39 2.03 -1.26 -4.95 116.55 107.28 1b4m n ASP 4 Ca -0.00 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1b4m n ASP 4 Cb 0.57 -2.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.46 1b4m n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n GLN 5 N -2.13 0.00 -1.47 -0.67 1.13 -1.26 -5.05 117.38 107.93 1b4m n GLN 5 Ca -0.22 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1b4m n GLN 5 Cb 0.65 -0.27 0.00 0.00 0.11 0.00 0.00 30.24 30.73 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1b4m n ASN 6 N -1.82 -3.48 0.00 1.08 4.13 -1.26 -5.11 115.26 108.80 1b4m n ASN 6 Ca 0.00 0.82 0.00 0.00 1.68 0.00 0.00 54.58 57.08 1b4m n ASN 6 Cb 0.00 -2.90 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N -0.23 2.15 2.67 7.41 0.00 -1.26 -5.08 105.19 110.87 1b4m n GLY 7 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b4m n THR 8 N 0.00 0.00 -1.48 2.61 5.66 -1.26 -4.22 114.28 115.59 1b4m n THR 8 Ca 0.00 -0.78 -0.46 0.00 -3.05 0.00 0.00 64.05 59.76 1b4m n THR 8 Cb 0.00 1.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.85 1b4m n THR 8 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1b4m n TRP 9 N 0.72 1.45 -0.03 1.09 7.02 -1.03 -4.48 117.44 122.19 1b4m n TRP 9 Ca -0.03 0.23 0.24 0.00 -1.02 0.00 0.00 57.50 56.93 1b4m n TRP 9 Cb 0.74 -2.54 0.66 0.00 -2.42 0.00 0.00 31.31 27.74 1b4m n TRP 9 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1b4m h GLU 10 N 13.91 0.00 0.00 -0.99 5.08 -1.69 0.20 114.58 131.09 1b4m h GLU 10 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1b4m h GLU 10 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1b4m h GLU 10 CO 1.09 0.00 0.00 -0.12 -1.00 0.00 0.00 179.01 178.98 1b4m n MET 11 N -3.59 0.00 0.00 2.33 0.00 -1.26 -3.62 117.12 110.97 1b4m n MET 11 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 1b4m n MET 11 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.15 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 0.00 0.00 -3.80 2.12 2.13 -1.26 -3.31 120.64 116.52 1b4m n GLU 12 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1b4m n GLU 12 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m s SER 13 N 0.00 -0.13 -0.34 4.31 0.15 -1.23 -5.12 113.70 111.34 1b4m s SER 13 Ca 0.00 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1b4m s SER 13 Cb 0.00 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.65 1b4m s SER 13 CO 0.00 -0.08 0.05 0.21 1.20 0.00 0.00 173.24 174.63 1b4m s ASN 14 N 0.39 4.70 0.00 5.45 2.47 -1.26 -2.88 114.94 123.80 1b4m s ASN 14 Ca -0.03 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.15 1b4m s ASN 14 Cb -0.04 -1.56 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1b4m s ASN 14 CO -0.02 -0.38 0.00 -1.84 -3.72 0.00 0.00 177.10 171.15 1b4m n GLU 15 N 4.30 0.00 -4.75 0.43 0.28 -1.10 -4.63 120.64 115.17 1b4m n GLU 15 Ca 0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.70 1b4m n GLU 15 Cb 0.42 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.16 1b4m n GLU 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1b4m s ASN 16 N 0.00 4.27 -0.02 -1.84 2.47 -1.26 -4.86 114.94 113.70 1b4m s ASN 16 Ca 0.00 -0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.13 1b4m s ASN 16 Cb 0.00 -1.16 -0.02 0.00 -1.45 0.00 0.00 41.25 38.61 1b4m s ASN 16 CO 0.00 0.30 0.01 2.22 -3.72 0.00 0.00 177.10 175.91 1b4m n PHE 17 N 2.61 0.00 0.01 0.43 -1.74 -1.26 -4.42 117.46 113.10 1b4m n PHE 17 Ca -0.18 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.61 1b4m n PHE 17 Cb 0.53 -0.09 -0.08 0.00 1.52 0.00 0.00 39.48 41.35 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 -0.13 -0.03 3.97 4.81 -1.98 -2.98 114.58 118.25 1b4m h GLU 18 Ca -0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1b4m h GLU 18 Cb 1.11 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1b4m h GLU 18 CO 0.00 0.37 0.04 0.78 -0.73 0.00 0.00 179.01 179.47 1b4m h GLY 19 N -0.88 0.00 0.68 1.92 0.00 -1.94 1.25 103.07 104.11 1b4m h GLY 19 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1b4m h GLY 19 CO 0.02 0.00 -0.16 -1.82 0.00 0.00 0.00 176.54 174.58 1b4m h TYR 20 N 0.00 0.37 0.00 5.60 3.20 -1.76 1.30 116.97 125.68 1b4m h TYR 20 Ca 0.01 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1b4m h TYR 20 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1b4m h TYR 20 CO 0.00 0.76 -0.25 0.52 -1.64 0.00 0.00 178.16 177.55 1b4m h MET 21 N -0.13 0.00 0.00 1.82 2.86 -1.00 -2.27 114.93 116.21 1b4m h MET 21 Ca 0.01 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1b4m h MET 21 Cb 0.72 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1b4m h MET 21 CO 0.04 0.25 -0.77 -0.22 1.06 0.00 0.00 176.91 177.27 1b4m h LYS 22 N 0.00 0.00 -0.58 1.72 3.64 0.18 0.30 116.57 121.83 1b4m h LYS 22 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1b4m h LYS 22 Cb 0.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1b4m h LYS 22 CO 0.03 0.77 0.14 0.00 -2.27 0.00 0.00 179.45 178.12 1b4m h ALA 23 N 1.23 1.16 0.00 5.00 0.00 0.23 -3.11 119.26 123.77 1b4m h ALA 23 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1b4m h ALA 23 Cb 1.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1b4m h ALA 23 CO 0.10 0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 179.74 1b4m h LEU 24 N 0.86 0.00 -2.44 0.00 -0.00 -1.51 -3.46 115.31 108.76 1b4m h LEU 24 Ca 0.19 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1b4m h LEU 24 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1b4m h LEU 24 CO -0.00 0.74 0.00 -0.67 -0.00 0.00 0.00 178.44 178.51 1b4m n ASP 25 N -4.69 -1.63 -2.36 -0.43 2.03 0.10 -5.00 116.55 104.58 1b4m n ASP 25 Ca -0.06 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.91 1b4m n ASP 25 Cb 0.22 -0.81 0.07 0.00 -0.72 0.00 0.00 41.12 39.87 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 -0.45 3.51 -0.52 5.18 3.06 -0.85 -5.00 119.36 124.29 1b4m n ILE 26 Ca 0.00 -3.22 0.06 0.00 -2.50 0.00 0.00 62.75 57.09 1b4m n ILE 26 Cb 0.04 -1.17 -0.03 0.00 0.54 0.00 0.00 39.64 39.02 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 -0.85 -2.93 -4.48 9.51 2.03 -1.26 -4.55 116.55 114.01 1b4m n ASP 27 Ca 0.60 0.46 -0.44 0.00 0.52 0.00 0.00 54.79 55.93 1b4m n ASP 27 Cb 0.65 -1.74 -0.01 0.00 -0.72 0.00 0.00 41.12 39.30 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1b4m s PHE 28 N -3.03 3.18 0.00 -0.67 0.08 -1.26 -4.82 117.98 111.46 1b4m s PHE 28 Ca 0.00 -1.68 0.00 0.00 0.12 0.00 0.00 56.93 55.37 1b4m s PHE 28 Cb 0.00 -4.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.05 1b4m s PHE 28 CO 0.00 -1.53 0.00 0.00 -0.10 0.00 0.00 175.22 173.59 1b4m n ALA 29 N 6.63 0.00 0.00 5.36 0.00 -1.26 -5.03 120.51 126.22 1b4m n ALA 29 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1b4m n ALA 29 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.52 0.00 -4.23 0.00 5.66 -1.26 -4.95 114.28 108.98 1b4m n THR 30 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1b4m n THR 30 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1b4m n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4m s ARG 31 N -0.95 2.32 0.00 1.09 1.04 -1.26 -4.57 118.95 116.63 1b4m s ARG 31 Ca 0.00 -1.48 0.00 0.00 -1.04 0.00 0.00 55.73 53.21 1b4m s ARG 31 Cb 0.00 -2.16 0.00 0.00 -2.04 0.00 0.00 34.95 30.75 1b4m s ARG 31 CO 0.00 0.26 0.00 1.17 -0.04 0.00 0.00 175.30 176.69 1b4m n LYS 32 N -1.00 0.00 0.00 3.89 3.00 -1.26 -4.79 118.16 118.00 1b4m n LYS 32 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1b4m n LYS 32 Cb 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1b4m n ILE 33 N -2.25 0.00 -0.65 3.15 -0.00 -1.26 -4.76 119.36 113.59 1b4m n ILE 33 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.84 1b4m n ILE 33 Cb 0.00 -0.45 0.37 0.00 -0.00 0.00 0.00 39.64 39.56 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 -1.61 3.29 -0.13 -1.39 0.00 -1.26 -4.61 120.51 114.80 1b4m n ALA 34 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 53.44 51.80 1b4m n ALA 34 Cb 0.28 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.70 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m n VAL 35 N 1.02 -0.16 0.00 0.00 0.31 -1.26 -4.44 118.33 113.80 1b4m n VAL 35 Ca 0.26 0.79 0.00 0.00 -0.01 0.00 0.00 64.34 65.38 1b4m n VAL 35 Cb 0.96 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1b4m n VAL 35 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1b4m n ARG 36 N -4.52 0.00 -0.02 5.55 0.00 -1.26 -4.89 116.66 111.51 1b4m n ARG 36 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.68 1b4m n ARG 36 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.48 1b4m n ARG 36 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1b4m h LEU 37 N 0.00 0.27 0.00 6.15 8.10 -1.90 -3.50 115.31 124.44 1b4m h LEU 37 Ca 0.00 -0.79 0.00 0.00 0.11 0.00 0.00 57.88 57.20 1b4m h LEU 37 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.13 1b4m h LEU 37 CO 0.00 1.59 0.00 0.41 -4.11 0.00 0.00 178.44 176.33 1b4m n THR 38 N -4.02 0.00 0.00 0.15 -1.04 -1.26 -5.16 114.28 102.95 1b4m n THR 38 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1b4m n THR 38 Cb 0.85 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.00 0.00 0.00 -2.82 -0.06 -1.26 -4.74 117.38 108.50 1b4m n GLN 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1b4m n GLN 39 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 0.00 0.00 -4.52 1.69 -1.04 -1.24 -4.85 114.28 104.32 1b4m n THR 40 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1b4m n THR 40 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 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 -2.21 3.44 0.33 -2.82 2.36 0.70 -3.51 119.74 118.02 1b4m s LYS 41 Ca 0.00 -0.56 0.08 0.00 -2.55 0.00 0.00 55.97 52.94 1b4m s LYS 41 Cb 0.00 -2.80 -0.03 0.00 -1.05 0.00 0.00 37.83 33.95 1b4m s LYS 41 CO 0.00 0.32 0.23 0.42 1.55 0.00 0.00 175.35 177.88 1b4m s ILE 42 N 0.13 3.48 -0.01 5.43 1.09 0.39 -2.45 121.20 129.26 1b4m s ILE 42 Ca -0.02 -1.48 -0.03 0.00 -1.10 0.00 0.00 60.65 58.02 1b4m s ILE 42 Cb -0.14 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 1b4m s ILE 42 CO 0.03 -0.20 0.06 -0.51 -0.10 0.00 0.00 174.94 174.22 1b4m s ILE 43 N -2.32 0.04 0.02 2.92 2.07 -1.26 0.91 121.20 123.57 1b4m s ILE 43 Ca 0.39 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1b4m s ILE 43 Cb -0.05 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.35 1b4m s ILE 43 CO 0.25 -0.16 -0.02 0.52 -1.91 0.00 0.00 174.94 173.62 1b4m n VAL 44 N 2.50 0.49 -2.66 4.00 0.31 -1.25 -4.14 118.33 117.58 1b4m n VAL 44 Ca -0.16 0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1b4m n VAL 44 Cb 0.58 -1.31 -0.04 0.00 -0.91 0.00 0.00 33.84 32.16 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 -2.94 -4.24 -0.61 5.55 7.27 -1.26 -4.74 117.38 116.41 1b4m n GLN 45 Ca -0.01 3.22 0.06 0.00 0.07 0.00 0.00 57.00 60.35 1b4m n GLN 45 Cb 0.03 -4.68 0.19 0.00 2.41 0.00 0.00 30.24 28.18 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1b4m n ASP 46 N 1.74 1.71 0.00 1.69 2.03 -1.14 -4.97 116.55 117.60 1b4m n ASP 46 Ca -0.36 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.24 1b4m n ASP 46 Cb 0.56 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.03 2.31 0.05 0.27 0.00 -1.26 -4.63 105.19 100.90 1b4m n GLY 47 Ca 0.18 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 0.49 3.04 -4.53 1.61 9.92 -1.26 -4.88 116.55 120.94 1b4m n ASP 48 Ca 0.00 -0.05 -0.43 0.00 -0.53 0.00 0.00 54.79 53.79 1b4m n ASP 48 Cb 0.00 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1b4m s ASN 49 N -4.86 6.73 -1.24 -2.24 -0.87 -1.26 -0.48 114.94 110.71 1b4m s ASN 49 Ca -0.13 -2.13 -0.15 0.00 -1.57 0.00 0.00 52.86 48.88 1b4m s ASN 49 Cb 0.04 -2.51 0.14 0.00 -0.02 0.00 0.00 41.25 38.90 1b4m s ASN 49 CO 0.29 -1.18 1.53 0.33 -2.57 0.00 0.00 177.10 175.49 1b4m n PHE 50 N 7.67 4.87 -3.06 2.20 7.35 -0.88 -2.89 117.46 132.72 1b4m n PHE 50 Ca 0.36 -3.21 -0.44 0.00 -0.76 0.00 0.00 57.45 53.40 1b4m n PHE 50 Cb 0.48 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1b4m n PHE 50 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1b4m n LYS 51 N 6.39 3.68 -0.86 -4.13 5.02 -1.25 -3.88 118.16 123.12 1b4m n LYS 51 Ca 0.40 -4.21 -0.29 0.00 -2.02 0.00 0.00 58.31 52.20 1b4m n LYS 51 Cb 0.43 -2.72 0.21 0.00 -0.02 0.00 0.00 35.03 32.94 1b4m n LYS 51 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b4m s THR 52 N -0.59 2.08 0.21 -0.18 2.01 -0.56 -3.80 115.64 114.81 1b4m s THR 52 Ca 0.35 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1b4m s THR 52 Cb -0.03 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1b4m s THR 52 CO -0.01 -0.03 0.67 -0.75 -0.69 0.00 0.00 174.62 173.80 1b4m s LYS 53 N -4.71 1.51 -0.25 4.92 2.20 0.26 0.44 119.74 124.11 1b4m s LYS 53 Ca 0.67 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1b4m s LYS 53 Cb -0.22 0.59 0.09 0.00 -1.51 0.00 0.00 37.83 36.78 1b4m s LYS 53 CO 0.61 -0.68 0.13 0.99 -0.36 0.00 0.00 175.35 176.04 1b4m s THR 54 N -3.81 -0.10 -0.32 3.43 2.01 -1.26 0.15 115.64 115.74 1b4m s THR 54 Ca 0.06 -0.55 0.25 0.00 0.31 0.00 0.00 61.69 61.76 1b4m s THR 54 Cb -0.03 -0.85 0.34 0.00 0.01 0.00 0.00 72.50 71.97 1b4m s THR 54 CO -0.03 -0.57 1.68 0.78 -0.69 0.00 0.00 174.62 175.79 1b4m h ASN 55 N 8.40 0.00 -0.44 3.53 4.21 -1.87 -3.37 115.58 126.05 1b4m h ASN 55 Ca -0.18 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 56.85 1b4m h ASN 55 Cb 1.06 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1b4m h ASN 55 CO 0.39 0.02 0.46 -0.24 -1.29 0.00 0.00 177.43 176.76 1b4m n SER 56 N -3.10 0.62 0.03 5.81 2.88 -1.26 -4.74 113.62 113.86 1b4m n SER 56 Ca 0.03 0.61 0.22 0.00 -1.33 0.00 0.00 58.87 58.40 1b4m n SER 56 Cb 0.49 -0.49 0.73 0.00 -0.75 0.00 0.00 64.21 64.19 1b4m n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b4m h THR 57 N 3.02 0.46 0.00 2.46 1.03 -1.91 -2.86 112.91 115.11 1b4m h THR 57 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1b4m h THR 57 Cb 0.77 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1b4m h THR 57 CO 0.56 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 176.56 1b4m n PHE 58 N -3.91 0.00 -3.97 0.00 3.72 -1.26 -4.73 117.46 107.31 1b4m n PHE 58 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.19 1b4m n PHE 58 Cb 0.68 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.06 1b4m n PHE 58 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1b4m s ARG 59 N -0.84 1.75 -0.73 -1.08 3.52 -1.08 -5.03 118.95 115.46 1b4m s ARG 59 Ca 0.00 -1.06 0.01 0.00 -0.13 0.00 0.00 55.73 54.54 1b4m s ARG 59 Cb 0.00 -2.65 0.18 0.00 -1.56 0.00 0.00 34.95 30.92 1b4m s ARG 59 CO 0.00 -0.59 0.55 0.54 -0.81 0.00 0.00 175.30 174.99 1b4m s ASN 60 N 1.33 5.24 0.13 -2.12 2.20 -1.22 -4.58 114.94 115.92 1b4m s ASN 60 Ca -0.07 -3.48 0.12 0.00 -0.94 0.00 0.00 52.86 48.49 1b4m s ASN 60 Cb -0.19 -1.78 -0.13 0.00 -2.00 0.00 0.00 41.25 37.16 1b4m s ASN 60 CO -0.06 -0.20 1.15 0.22 -2.94 0.00 0.00 177.10 175.28 1b4m h TYR 61 N 6.11 0.00 -3.54 1.54 3.20 -1.93 -3.49 116.97 118.86 1b4m h TYR 61 Ca 0.08 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.14 1b4m h TYR 61 Cb 0.84 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 1b4m h TYR 61 CO 0.68 0.80 -1.12 -3.47 -1.64 0.00 0.00 178.16 173.41 1b4m n ASP 62 N -3.19 -7.95 -2.29 -2.11 2.03 -1.26 -4.83 116.55 96.94 1b4m n ASP 62 Ca -0.04 1.63 -0.24 0.00 0.52 0.00 0.00 54.79 56.66 1b4m n ASP 62 Cb 0.89 -4.91 0.01 0.00 -0.72 0.00 0.00 41.12 36.39 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1b4m n LEU 63 N -3.50 4.62 -4.53 -2.67 7.94 0.17 -4.93 117.00 114.10 1b4m n LEU 63 Ca -0.05 -4.90 -0.41 0.00 -1.11 0.00 0.00 56.01 49.53 1b4m n LEU 63 Cb 0.58 -0.35 -0.03 0.00 0.53 0.00 0.00 43.42 44.15 1b4m n LEU 63 CO 0.02 2.13 1.11 -0.62 -1.11 0.00 0.00 177.39 178.92 1b4m s ASP 64 N -3.56 6.18 0.29 1.96 -1.08 -1.20 -1.50 116.67 117.75 1b4m s ASP 64 Ca 0.48 -0.60 -0.07 0.00 -0.52 0.00 0.00 52.55 51.84 1b4m s ASP 64 Cb 0.40 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1b4m s ASP 64 CO -0.08 -1.75 0.45 0.72 0.52 0.00 0.00 175.17 175.03 1b4m s PHE 65 N 5.40 0.72 -0.03 -5.34 -0.71 -1.25 -5.00 117.98 111.78 1b4m s PHE 65 Ca 0.33 -1.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.22 1b4m s PHE 65 Cb -0.09 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.75 1b4m s PHE 65 CO 0.13 -1.04 -0.09 0.99 -1.34 0.00 0.00 175.22 173.87 1b4m s THR 66 N -3.57 0.79 0.47 -4.49 2.01 -1.26 -2.07 115.64 107.52 1b4m s THR 66 Ca 0.27 -0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 1b4m s THR 66 Cb 0.00 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.69 1b4m s THR 66 CO 0.14 0.25 0.68 0.55 -0.69 0.00 0.00 174.62 175.55 1b4m n VAL 67 N 3.37 2.20 -1.26 3.82 3.14 0.36 -2.12 118.33 127.85 1b4m n VAL 67 Ca -0.19 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.60 1b4m n VAL 67 Cb 0.54 -0.77 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b4m n GLY 68 N 1.61 0.98 0.13 7.55 0.00 -0.04 -4.84 105.19 110.57 1b4m n GLY 68 Ca 0.11 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.41 -3.83 1.61 2.07 -1.68 -3.48 116.25 111.35 1b4m h VAL 69 Ca -0.18 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1b4m h VAL 69 Cb 0.87 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1b4m h VAL 69 CO 0.27 0.24 -0.04 1.21 0.02 0.00 0.00 177.57 179.27 1b4m n GLU 70 N -2.96 -0.54 -1.55 1.57 2.13 -1.26 -4.83 120.64 113.20 1b4m n GLU 70 Ca -0.02 0.90 -0.25 0.00 0.66 0.00 0.00 57.16 58.45 1b4m n GLU 70 Cb 0.70 -3.00 -0.06 0.00 0.27 0.00 0.00 31.44 29.35 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 -1.09 1.21 -2.27 4.31 -0.00 -1.01 -4.72 117.46 113.89 1b4m n PHE 71 Ca 0.01 0.06 -0.37 0.00 -0.00 0.00 0.00 57.45 57.15 1b4m n PHE 71 Cb 0.43 -2.53 -0.03 0.00 -0.00 0.00 0.00 39.48 37.35 1b4m n PHE 71 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1b4m s ASP 72 N 10.97 5.69 -0.52 -2.13 1.47 -1.26 0.15 116.67 131.02 1b4m s ASP 72 Ca 0.99 -0.39 -0.27 0.00 1.18 0.00 0.00 52.55 54.06 1b4m s ASP 72 Cb -0.23 -2.55 0.03 0.00 -0.34 0.00 0.00 42.92 39.83 1b4m s ASP 72 CO 0.20 -2.17 1.08 -1.61 0.68 0.00 0.00 175.17 173.35 1b4m s GLU 73 N 6.34 3.54 0.38 2.11 2.02 0.24 -4.86 118.70 128.47 1b4m s GLU 73 Ca 0.56 0.22 0.21 0.00 0.02 0.00 0.00 54.97 55.97 1b4m s GLU 73 Cb -0.08 -3.97 0.57 0.00 0.10 0.00 0.00 34.13 30.74 1b4m s GLU 73 CO 0.09 -1.47 1.67 0.45 0.02 0.00 0.00 175.26 176.03 1b4m h HIS 74 N 9.32 0.00 -6.34 1.61 3.86 -1.90 0.91 115.15 122.61 1b4m h HIS 74 Ca -0.24 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.54 1b4m h HIS 74 Cb 1.06 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.58 1b4m h HIS 74 CO 0.96 0.31 -0.88 2.41 0.86 0.00 0.00 177.93 181.59 1b4m n THR 75 N -3.32 -5.39 -0.10 2.45 -1.04 -1.26 -2.01 114.28 103.62 1b4m n THR 75 Ca 0.01 -0.66 -0.14 0.00 -2.04 0.00 0.00 64.05 61.22 1b4m n THR 75 Cb 0.55 -4.05 -0.14 0.00 -1.82 0.00 0.00 70.33 64.86 1b4m n THR 75 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1b4m n LYS 76 N -3.79 0.67 0.27 -2.82 5.02 -1.26 0.14 118.16 116.40 1b4m n LYS 76 Ca -0.13 0.09 0.16 0.00 -2.02 0.00 0.00 58.31 56.42 1b4m n LYS 76 Cb 0.59 -1.55 0.67 0.00 -0.02 0.00 0.00 35.03 34.72 1b4m n LYS 76 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1b4m h GLY 77 N 2.99 0.00 0.00 0.72 0.00 -2.01 -3.08 103.07 101.69 1b4m h GLY 77 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1b4m h GLY 77 CO -0.01 0.00 -0.46 -0.10 0.00 0.00 0.00 176.54 175.97 1b4m n LEU 78 N -3.16 0.32 0.00 3.11 7.94 -1.26 -5.02 117.00 118.93 1b4m n LEU 78 Ca 0.00 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 1b4m n LEU 78 Cb 0.31 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1b4m n LEU 78 CO 0.28 0.08 0.00 -0.67 -1.11 0.00 0.00 177.39 175.97 1b4m n ASP 79 N -1.24 0.00 0.00 1.96 2.03 -1.16 -4.76 116.55 113.38 1b4m n ASP 79 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1b4m n ASP 79 Cb 0.13 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -1.18 0.58 0.00 0.27 0.00 0.38 -4.84 105.19 100.40 1b4m n GLY 80 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.47 -4.97 116.66 115.83 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 -4.69 6.15 6.94 -1.17 -4.74 115.26 117.75 1b4m n ASN 82 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.33 1b4m n ASN 82 Cb 0.00 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.53 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1b4m s VAL 83 N 0.00 2.04 0.12 3.53 1.01 0.31 -4.92 120.40 122.49 1b4m s VAL 83 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1b4m s VAL 83 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1b4m s VAL 83 CO 0.00 0.00 -0.19 -0.54 0.00 0.00 0.00 175.10 174.37 1b4m s LYS 84 N -5.12 1.11 -0.45 2.72 1.02 -1.26 0.80 119.74 118.57 1b4m s LYS 84 Ca 0.67 -1.20 0.06 0.00 0.02 0.00 0.00 55.97 55.52 1b4m s LYS 84 Cb -0.04 -1.26 0.22 0.00 -0.52 0.00 0.00 37.83 36.23 1b4m s LYS 84 CO 0.44 0.28 0.62 2.41 -0.92 0.00 0.00 175.35 178.18 1b4m n THR 85 N 0.86 -0.51 -1.79 2.17 -1.04 0.38 -1.27 114.28 113.10 1b4m n THR 85 Ca -0.18 -2.65 -0.42 0.00 -2.04 0.00 0.00 64.05 58.76 1b4m n THR 85 Cb 0.55 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.61 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 -0.39 4.36 0.19 -4.42 0.20 -0.65 -2.41 118.68 115.55 1b4m s LEU 86 Ca 0.33 2.87 0.10 0.00 0.69 0.00 0.00 54.13 58.11 1b4m s LEU 86 Cb 0.12 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 1b4m s LEU 86 CO -0.16 -0.92 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.09 1b4m s VAL 87 N 0.56 2.07 0.06 1.68 1.01 -1.26 0.06 120.40 124.59 1b4m s VAL 87 Ca 0.68 -2.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1b4m s VAL 87 Cb -0.48 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1b4m s VAL 87 CO 0.40 -0.25 0.72 0.28 0.00 0.00 0.00 175.10 176.25 1b4m s THR 88 N -1.97 0.00 -0.07 3.92 -1.32 -0.29 -0.87 115.64 115.05 1b4m s THR 88 Ca 0.19 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.40 1b4m s THR 88 Cb -0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1b4m s THR 88 CO 0.09 0.00 0.85 0.26 -2.21 0.00 0.00 174.62 173.60 1b4m s TRP 89 N -3.01 3.56 -1.46 9.09 0.52 -1.26 -0.69 118.94 125.69 1b4m s TRP 89 Ca 0.00 1.43 0.30 0.00 0.02 0.00 0.00 56.10 57.84 1b4m s TRP 89 Cb -0.01 -2.99 1.40 0.00 -1.15 0.00 0.00 33.47 30.72 1b4m s TRP 89 CO -0.07 -0.05 1.98 -1.91 0.02 0.00 0.00 176.95 176.91 1b4m n GLU 90 N 4.27 0.47 0.00 4.98 0.00 0.30 -4.77 120.64 125.90 1b4m n GLU 90 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1b4m n GLU 90 Cb 0.50 -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 1.30 0.57 0.00 8.31 0.00 -1.26 -4.85 105.19 109.26 1b4m n GLY 91 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1b4m n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4m n ASN 92 N 0.00 0.00 0.00 1.61 6.94 -1.26 -4.91 115.26 117.64 1b4m n ASN 92 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1b4m n ASN 92 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1b4m n THR 93 N 0.00 0.00 -3.37 5.53 5.66 -1.26 -4.81 114.28 116.04 1b4m n THR 93 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1b4m n THR 93 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 5.28 -4.71 1.09 7.94 -1.26 0.11 117.00 125.46 1b4m n LEU 94 Ca 0.00 -5.10 -0.42 0.00 -1.11 0.00 0.00 56.01 49.37 1b4m n LEU 94 Cb 0.00 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 42.60 1b4m n LEU 94 CO 0.00 1.48 1.00 -0.69 -1.11 0.00 0.00 177.39 178.07 1b4m s VAL 95 N -1.60 3.69 -0.05 1.96 1.01 0.13 -3.53 120.40 122.02 1b4m s VAL 95 Ca 0.30 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.51 1b4m s VAL 95 Cb -0.06 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1b4m s VAL 95 CO -0.06 0.07 -0.17 0.00 0.00 0.00 0.00 175.10 174.94 1b4m s VAL 97 N 0.10 2.45 -0.76 0.00 1.01 0.11 -4.01 120.40 119.30 1b4m s VAL 97 Ca -0.05 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1b4m s VAL 97 Cb -0.12 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1b4m s VAL 97 CO 0.03 0.46 1.39 -1.10 0.00 0.00 0.00 175.10 175.87 1b4m s GLN 98 N 1.33 3.15 -1.38 2.72 -1.52 -1.26 -1.64 119.66 121.06 1b4m s GLN 98 Ca 0.04 -0.23 -0.10 0.00 -1.95 0.00 0.00 55.36 53.13 1b4m s GLN 98 Cb -0.14 -4.36 0.09 0.00 -0.22 0.00 0.00 33.01 28.39 1b4m s GLN 98 CO -0.10 -2.26 2.20 1.17 -0.25 0.00 0.00 175.29 176.05 1b4m n LYS 99 N 9.29 3.61 0.00 2.91 4.81 -0.40 -4.82 118.16 133.57 1b4m n LYS 99 Ca 0.09 -3.11 0.00 0.00 -0.87 0.00 0.00 58.31 54.43 1b4m n LYS 99 Cb 0.50 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1b4m n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b4m n GLY 100 N 3.03 4.09 3.59 3.14 0.00 -1.26 -4.08 105.19 113.70 1b4m n GLY 100 Ca 0.52 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 1b4m n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b4m s GLU 101 N 2.48 0.80 0.00 1.61 -6.30 -1.26 -4.91 118.70 111.12 1b4m s GLU 101 Ca 0.00 0.93 0.00 0.00 -2.50 0.00 0.00 54.97 53.40 1b4m s GLU 101 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 34.13 34.52 1b4m s GLU 101 CO 0.00 -0.10 0.00 1.17 0.02 0.00 0.00 175.26 176.35 1b4m n LYS 102 N 2.67 0.00 -3.90 4.30 0.00 -1.26 -4.95 118.16 115.01 1b4m n LYS 102 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.09 1b4m n LYS 102 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 35.03 35.48 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 -0.22 1.73 -0.42 1.64 -1.05 -1.26 -4.83 118.70 114.29 1b4m s GLU 103 Ca 0.00 -1.09 0.04 0.00 -0.15 0.00 0.00 54.97 53.77 1b4m s GLU 103 Cb 0.00 0.57 0.11 0.00 -0.44 0.00 0.00 34.13 34.37 1b4m s GLU 103 CO 0.00 -0.77 0.14 -0.80 0.95 0.00 0.00 175.26 174.78 1b4m s ASN 104 N -2.96 4.56 0.00 0.83 0.01 -1.26 -4.59 114.94 111.54 1b4m s ASN 104 Ca 0.15 -2.55 0.19 0.00 -0.71 0.00 0.00 52.86 49.94 1b4m s ASN 104 Cb -0.04 -1.63 0.85 0.00 0.41 0.00 0.00 41.25 40.83 1b4m s ASN 104 CO 0.08 -0.31 1.59 0.54 -1.51 0.00 0.00 177.10 177.49 1b4m n ARG 105 N 3.73 0.10 0.00 -0.60 5.12 -1.26 -1.77 116.66 121.98 1b4m n ARG 105 Ca 0.04 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1b4m n ARG 105 Cb 0.37 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 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 0.38 0.00 3.19 -0.13 0.00 -1.23 -3.77 105.19 103.62 1b4m n GLY 106 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1b4m n GLY 106 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b4m s TRP 107 N 0.00 3.02 0.24 1.61 -0.00 -1.26 0.26 118.94 122.82 1b4m s TRP 107 Ca 0.00 -1.56 -0.11 0.00 -0.00 0.00 0.00 56.10 54.43 1b4m s TRP 107 Cb 0.00 -2.03 -0.01 0.00 -0.00 0.00 0.00 33.47 31.43 1b4m s TRP 107 CO 0.00 -0.74 0.42 -1.59 -0.00 0.00 0.00 176.95 175.04 1b4m s LYS 108 N 1.32 1.50 0.30 5.86 -2.85 -0.88 -3.24 119.74 121.74 1b4m s LYS 108 Ca 0.01 -1.33 0.02 0.00 -1.00 0.00 0.00 55.97 53.67 1b4m s LYS 108 Cb -0.16 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1b4m s LYS 108 CO -0.06 -0.61 0.10 1.14 0.10 0.00 0.00 175.35 176.03 1b4m s GLN 109 N -4.01 1.56 -0.31 1.78 0.00 -1.23 -2.36 119.66 115.09 1b4m s GLN 109 Ca 0.25 -1.87 -0.11 0.00 -0.00 0.00 0.00 55.36 53.63 1b4m s GLN 109 Cb 0.01 -0.40 0.19 0.00 0.00 0.00 0.00 33.01 32.80 1b4m s GLN 109 CO 0.10 -0.32 1.07 1.67 0.00 0.00 0.00 175.29 177.80 1b4m s TRP 110 N -3.56 -0.33 -0.61 9.60 -2.14 -1.23 -4.30 118.94 116.37 1b4m s TRP 110 Ca 0.36 0.11 -0.39 0.00 2.66 0.00 0.00 56.10 58.84 1b4m s TRP 110 Cb 0.07 0.06 -0.19 0.00 -3.10 0.00 0.00 33.47 30.31 1b4m s TRP 110 CO 0.15 -0.21 2.19 0.28 -2.66 0.00 0.00 176.95 176.69 1b4m n VAL 111 N 4.21 0.00 -3.89 -0.66 0.31 -1.26 -4.30 118.33 112.74 1b4m n VAL 111 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.10 1b4m n VAL 111 Cb 0.61 -0.48 -0.14 0.00 -0.91 0.00 0.00 33.84 32.93 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N 6.51 1.87 4.79 5.55 0.41 -1.17 -5.03 118.70 131.63 1b4m s GLU 112 Ca 1.19 -2.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.18 1b4m s GLU 112 Cb -1.37 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 27.88 1b4m s GLU 112 CO 0.58 -1.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.62 1b4m n GLY 113 N 3.08 1.59 2.10 -1.39 0.00 -1.26 -3.95 105.19 105.35 1b4m n GLY 113 Ca 0.07 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 7.05 4.46 -3.62 1.61 8.00 -1.26 -5.01 116.55 127.77 1b4m n ASP 114 Ca 0.00 -3.53 -0.01 0.00 0.71 0.00 0.00 54.79 51.96 1b4m n ASP 114 Cb 0.00 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1b4m s LYS 115 N -3.62 0.11 0.62 -1.24 -2.85 -1.25 -3.47 119.74 108.03 1b4m s LYS 115 Ca 0.48 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.41 1b4m s LYS 115 Cb 0.40 0.05 0.07 0.00 -2.06 0.00 0.00 37.83 36.28 1b4m s LYS 115 CO 0.03 -0.05 0.86 -1.17 0.10 0.00 0.00 175.35 175.12 1b4m s LEU 116 N -2.30 3.15 -0.42 2.77 2.96 -1.26 -3.03 118.68 120.55 1b4m s LEU 116 Ca 0.12 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1b4m s LEU 116 Cb 0.01 -2.49 0.17 0.00 0.50 0.00 0.00 46.19 44.38 1b4m s LEU 116 CO -0.04 -1.42 0.38 -0.31 -1.32 0.00 0.00 176.35 173.64 1b4m s TYR 117 N -2.90 0.73 -1.08 5.38 2.02 -1.26 -3.65 117.35 116.59 1b4m s TYR 117 Ca 0.61 -2.06 -0.22 0.00 -0.37 0.00 0.00 57.07 55.02 1b4m s TYR 117 Cb -0.08 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1b4m s TYR 117 CO 0.41 -0.88 1.57 -1.17 -1.57 0.00 0.00 175.55 173.90 1b4m s LEU 118 N 0.23 3.53 -0.21 -1.29 0.20 -1.26 -3.53 118.68 116.36 1b4m s LEU 118 Ca 0.32 -1.61 -0.16 0.00 0.69 0.00 0.00 54.13 53.37 1b4m s LEU 118 Cb 0.02 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1b4m s LEU 118 CO -0.17 -1.58 0.39 -1.61 -0.29 0.00 0.00 176.35 173.09 1b4m s GLU 119 N 5.02 4.16 0.02 1.98 2.02 -1.00 -2.34 118.70 128.56 1b4m s GLU 119 Ca 0.50 0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.68 1b4m s GLU 119 Cb 0.00 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 1b4m s GLU 119 CO -0.05 -0.05 -0.06 -0.48 0.02 0.00 0.00 175.26 174.65 1b4m s LEU 120 N 1.34 2.14 0.39 1.80 0.05 -0.86 -2.08 118.68 121.46 1b4m s LEU 120 Ca 0.18 -0.33 0.04 0.00 0.05 0.00 0.00 54.13 54.06 1b4m s LEU 120 Cb -0.15 -0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 43.79 1b4m s LEU 120 CO 0.08 -0.10 0.08 0.28 -0.55 0.00 0.00 176.35 176.14 1b4m s THR 121 N -0.82 0.98 -0.39 5.48 -1.32 0.14 0.17 115.64 119.88 1b4m s THR 121 Ca -0.05 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.41 1b4m s THR 121 Cb -0.06 -2.55 0.19 0.00 -1.51 0.00 0.00 72.50 68.58 1b4m s THR 121 CO 0.00 0.00 0.91 0.00 -2.21 0.00 0.00 174.62 173.32 1b4m n GLY 123 N 3.32 2.22 0.00 0.00 0.00 -0.74 -2.75 105.19 107.25 1b4m n GLY 123 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 5.06 3.26 -4.94 1.61 9.92 -1.26 -4.64 116.55 125.56 1b4m n ASP 124 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 1b4m n ASP 124 Cb 0.00 1.35 0.01 0.00 -0.64 0.00 0.00 41.12 41.84 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1b4m s GLN 125 N -2.53 3.13 -0.33 -1.24 -1.52 -1.11 -5.07 119.66 110.99 1b4m s GLN 125 Ca -0.03 -0.34 -0.01 0.00 -1.95 0.00 0.00 55.36 53.04 1b4m s GLN 125 Cb 0.05 -2.51 0.13 0.00 -0.22 0.00 0.00 33.01 30.46 1b4m s GLN 125 CO 0.32 -0.29 0.23 0.54 -0.25 0.00 0.00 175.29 175.84 1b4m s VAL 126 N -2.62 -0.11 0.08 1.09 0.11 -1.26 -1.47 120.40 116.23 1b4m s VAL 126 Ca 0.48 -1.07 -0.27 0.00 -2.93 0.00 0.00 61.98 58.19 1b4m s VAL 126 Cb -0.10 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1b4m s VAL 126 CO 0.39 -0.74 0.85 0.00 -3.33 0.00 0.00 175.10 172.27 1b4m s ARG 128 N -0.13 2.59 0.42 0.00 3.52 -1.26 -2.04 118.95 122.04 1b4m s ARG 128 Ca 0.42 -1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 54.83 1b4m s ARG 128 Cb -0.22 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 1b4m s ARG 128 CO 0.26 -0.46 0.73 -0.65 -0.81 0.00 0.00 175.30 174.37 1b4m s GLN 129 N 1.22 3.63 -0.02 5.12 -0.21 -0.99 -2.71 119.66 125.70 1b4m s GLN 129 Ca -0.03 0.21 -0.00 0.00 0.02 0.00 0.00 55.36 55.56 1b4m s GLN 129 Cb -0.18 -2.44 0.03 0.00 1.00 0.00 0.00 33.01 31.42 1b4m s GLN 129 CO -0.06 -0.06 0.03 0.08 -2.12 0.00 0.00 175.29 173.16 1b4m s VAL 130 N -2.49 -0.05 0.44 1.09 1.01 -1.14 -4.42 120.40 114.84 1b4m s VAL 130 Ca 0.47 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1b4m s VAL 130 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1b4m s VAL 130 CO 0.38 0.08 0.01 0.49 0.00 0.00 0.00 175.10 176.05 1b4m n PHE 131 N 4.02 0.97 -2.62 5.22 3.01 -1.21 -3.58 117.46 123.27 1b4m n PHE 131 Ca -0.25 -2.16 -0.02 0.00 1.01 0.00 0.00 57.45 56.02 1b4m n PHE 131 Cb 0.52 -0.29 0.08 0.00 -0.01 0.00 0.00 39.48 39.77 1b4m n PHE 131 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1b4m n LYS 132 N -1.11 0.86 0.00 -1.08 -0.00 -1.25 -4.73 118.16 110.85 1b4m n LYS 132 Ca -0.18 -0.86 0.00 0.00 -0.00 0.00 0.00 58.31 57.27 1b4m n LYS 132 Cb 0.56 0.23 0.00 0.00 -0.00 0.00 0.00 35.03 35.81 1b4m n LYS 132 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1b4m n LYS 133 N -0.93 0.00 0.00 -1.58 2.85 -1.23 -4.82 118.16 112.46 1b4m n LYS 133 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1b4m n LYS 133 Cb 0.75 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.13 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71