#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 0.00 -0.59 2.03 -4.23 -1.26 -5.06 115.64 106.53 1b4m s THR 2 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1b4m s THR 2 Cb 0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1b4m s THR 2 CO 0.00 0.00 0.64 0.29 -0.54 0.00 0.00 174.62 175.01 1b4m n LYS 3 N 1.91 -1.83 0.00 3.99 4.76 -1.26 -4.23 118.16 121.50 1b4m n LYS 3 Ca -0.12 1.34 0.00 0.00 -2.87 0.00 0.00 58.31 56.66 1b4m n LYS 3 Cb 0.56 -3.02 0.00 0.00 -1.84 0.00 0.00 35.03 30.73 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1b4m n ASP 4 N -1.09 0.00 0.00 4.39 9.92 -1.26 -4.75 116.55 123.77 1b4m n ASP 4 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1b4m n ASP 4 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1b4m n ASP 4 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1b4m n GLN 5 N 0.00 0.00 -3.15 -1.24 7.27 -1.26 -4.64 117.38 114.36 1b4m n GLN 5 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 1b4m n GLN 5 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1b4m n GLN 5 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1b4m s ASN 6 N 2.00 -0.70 0.00 1.69 3.84 -1.26 -4.83 114.94 115.68 1b4m s ASN 6 Ca 0.00 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.31 1b4m s ASN 6 Cb 0.00 1.51 0.00 0.00 -0.55 0.00 0.00 41.25 42.21 1b4m s ASN 6 CO 0.00 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 1b4m n GLY 7 N 5.33 -0.52 3.60 1.21 0.00 -1.22 -5.08 105.19 108.51 1b4m n GLY 7 Ca 0.01 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 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 2.74 0.00 -0.07 2.61 2.01 -1.26 -3.92 115.64 117.75 1b4m s THR 8 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1b4m s THR 8 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1b4m s THR 8 CO 0.00 0.00 -0.05 0.26 -0.69 0.00 0.00 174.62 174.14 1b4m s TRP 9 N -0.52 1.01 -1.59 4.92 0.52 0.22 0.65 118.94 124.14 1b4m s TRP 9 Ca -0.00 -0.37 0.24 0.00 0.02 0.00 0.00 56.10 55.98 1b4m s TRP 9 Cb -0.02 -0.89 1.26 0.00 -1.15 0.00 0.00 33.47 32.67 1b4m s TRP 9 CO -0.01 -0.31 1.78 0.39 0.02 0.00 0.00 176.95 178.82 1b4m n GLU 10 N 4.47 0.46 -3.30 4.98 -0.58 -1.14 0.15 120.64 125.67 1b4m n GLU 10 Ca -0.18 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.46 1b4m n GLU 10 Cb 0.51 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.20 -1.89 -0.40 3.49 0.00 -1.26 -4.48 117.12 111.37 1b4m n MET 11 Ca 0.13 0.91 0.33 0.00 -0.00 0.00 0.00 57.70 59.07 1b4m n MET 11 Cb 0.16 -5.46 0.53 0.00 0.00 0.00 0.00 33.22 28.45 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 -3.12 -0.02 -3.71 2.12 2.13 -1.24 -4.43 120.64 112.37 1b4m n GLU 12 Ca -0.07 0.91 -0.12 0.00 0.66 0.00 0.00 57.16 58.55 1b4m n GLU 12 Cb 0.60 -1.86 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 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 -4.25 -0.20 -0.08 4.31 0.15 -0.99 -5.02 113.70 107.62 1b4m s SER 13 Ca -0.05 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1b4m s SER 13 Cb 0.23 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1b4m s SER 13 CO 0.63 -0.63 -0.09 0.20 1.20 0.00 0.00 173.24 174.55 1b4m s ASN 14 N -2.02 1.86 -0.20 5.45 0.01 -1.26 -3.12 114.94 115.67 1b4m s ASN 14 Ca -0.05 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.79 1b4m s ASN 14 Cb -0.01 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 40.86 1b4m s ASN 14 CO -0.03 -0.05 -0.06 -0.70 -1.51 0.00 0.00 177.10 174.75 1b4m s GLU 15 N 1.20 3.39 -0.31 -0.60 2.12 -0.69 -4.84 118.70 118.97 1b4m s GLU 15 Ca -0.05 -0.63 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 1b4m s GLU 15 Cb -0.14 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.36 1b4m s GLU 15 CO -0.02 -0.08 0.34 -1.71 -0.54 0.00 0.00 175.26 173.25 1b4m n ASN 16 N 4.42 -6.99 -0.12 -1.70 5.15 -1.26 -3.19 115.26 111.57 1b4m n ASN 16 Ca -0.18 0.53 -0.16 0.00 -0.60 0.00 0.00 54.58 54.16 1b4m n ASN 16 Cb 0.51 -3.48 -0.13 0.00 -0.53 0.00 0.00 39.78 36.15 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 0.34 0.05 0.11 1.20 1.16 -1.26 -4.05 117.46 114.99 1b4m n PHE 17 Ca 0.01 0.01 -0.17 0.00 -1.87 0.00 0.00 57.45 55.42 1b4m n PHE 17 Cb 0.42 -1.01 -0.13 0.00 -1.61 0.00 0.00 39.48 37.16 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1b4m h GLU 18 N 0.00 0.36 0.00 3.97 4.81 -1.98 -3.23 114.58 118.52 1b4m h GLU 18 Ca -0.57 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.07 1b4m h GLU 18 Cb 1.99 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.57 1b4m h GLU 18 CO -0.06 1.25 -0.13 0.78 -0.73 0.00 0.00 179.01 180.13 1b4m h GLY 19 N 1.21 0.00 2.00 1.92 0.00 -1.97 -2.00 103.07 104.23 1b4m h GLY 19 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1b4m h GLY 19 CO 0.21 0.00 -0.53 -1.82 0.00 0.00 0.00 176.54 174.40 1b4m h TYR 20 N 0.00 0.00 0.00 5.60 3.20 -1.70 0.65 116.97 124.73 1b4m h TYR 20 Ca -0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1b4m h TYR 20 Cb 0.55 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1b4m h TYR 20 CO 0.00 0.53 -0.82 0.52 -1.64 0.00 0.00 178.16 176.75 1b4m h MET 21 N 0.00 0.00 0.00 1.82 2.86 -1.41 -3.00 114.93 115.20 1b4m h MET 21 Ca -0.01 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1b4m h MET 21 Cb 0.95 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1b4m h MET 21 CO 0.07 0.82 -0.76 0.87 1.06 0.00 0.00 176.91 178.97 1b4m h LYS 22 N 0.00 0.00 -0.21 1.72 1.57 -1.04 -1.56 116.57 117.05 1b4m h LYS 22 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1b4m h LYS 22 Cb 1.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1b4m h LYS 22 CO 0.11 0.76 0.06 0.00 -0.57 0.00 0.00 179.45 179.81 1b4m h ALA 23 N 1.24 0.23 0.00 3.86 0.00 0.45 -2.19 119.26 122.85 1b4m h ALA 23 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b4m h ALA 23 Cb 1.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1b4m h ALA 23 CO 0.10 -0.36 -0.63 1.47 0.00 0.00 0.00 179.25 179.83 1b4m n LEU 24 N -5.05 0.59 -2.51 0.00 -0.00 -1.22 -4.77 117.00 104.02 1b4m n LEU 24 Ca -0.02 0.07 -0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1b4m n LEU 24 Cb 0.08 -0.20 -0.02 0.00 -0.00 0.00 0.00 43.42 43.28 1b4m n LEU 24 CO 0.30 0.05 -0.40 -0.90 -0.00 0.00 0.00 177.39 176.44 1b4m n ASP 25 N -1.77 -4.51 -0.05 1.45 5.75 -0.82 -4.98 116.55 111.61 1b4m n ASP 25 Ca 0.04 1.40 -0.08 0.00 -0.01 0.00 0.00 54.79 56.14 1b4m n ASP 25 Cb 0.39 -4.03 -0.04 0.00 -1.03 0.00 0.00 41.12 36.40 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b4m n ILE 26 N 1.96 0.59 -2.06 2.12 3.06 -0.65 -4.95 119.36 119.43 1b4m n ILE 26 Ca -0.15 -0.20 -0.03 0.00 -2.50 0.00 0.00 62.75 59.87 1b4m n ILE 26 Cb 0.23 -1.10 0.00 0.00 0.54 0.00 0.00 39.64 39.31 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 -3.01 -0.58 -3.22 9.51 -0.08 -1.26 -5.03 116.55 112.88 1b4m n ASP 27 Ca -0.19 -1.22 -0.28 0.00 -1.51 0.00 0.00 54.79 51.59 1b4m n ASP 27 Cb 0.68 0.22 0.02 0.00 2.34 0.00 0.00 41.12 44.38 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1b4m n PHE 28 N -0.28 -1.98 -1.77 -0.67 3.72 -1.26 -3.72 117.46 111.50 1b4m n PHE 28 Ca -0.12 0.83 -0.02 0.00 -0.05 0.00 0.00 57.45 58.09 1b4m n PHE 28 Cb 0.55 -1.69 0.01 0.00 -0.94 0.00 0.00 39.48 37.41 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 -0.89 -1.07 -0.18 4.37 0.00 -1.26 -4.97 120.51 116.50 1b4m n ALA 29 Ca -0.14 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1b4m n ALA 29 Cb 0.56 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.02 1b4m n ALA 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1b4m h THR 30 N -0.10 1.23 0.00 0.00 2.02 -1.91 -3.40 112.91 110.75 1b4m h THR 30 Ca -0.07 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1b4m h THR 30 Cb 1.03 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1b4m h THR 30 CO 0.06 0.27 0.00 0.54 0.37 0.00 0.00 175.52 176.77 1b4m n ARG 31 N -4.50 0.00 -0.45 6.66 3.00 -1.26 -4.89 116.66 115.21 1b4m n ARG 31 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1b4m n ARG 31 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.64 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 0.00 0.00 -1.30 5.56 4.81 -1.26 -4.71 118.16 121.26 1b4m n LYS 32 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1b4m n LYS 32 Cb 0.00 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1b4m n ILE 33 N -2.00 0.03 -2.15 3.15 -0.00 -1.26 -4.87 119.36 112.26 1b4m n ILE 33 Ca 0.00 -0.37 0.02 0.00 -0.00 0.00 0.00 62.75 62.40 1b4m n ILE 33 Cb 0.00 0.67 0.02 0.00 -0.00 0.00 0.00 39.64 40.32 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 -0.05 2.19 -0.37 -1.28 0.00 -1.26 -4.82 120.51 114.91 1b4m n ALA 34 Ca -0.19 -1.63 0.29 0.00 0.00 0.00 0.00 53.44 51.91 1b4m n ALA 34 Cb 0.81 -0.59 0.56 0.00 0.00 0.00 0.00 19.45 20.23 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 6.62 0.29 0.00 0.00 2.07 -1.98 -3.43 116.25 119.83 1b4m h VAL 35 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1b4m h VAL 35 Cb 1.57 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1b4m h VAL 35 CO 0.04 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 176.53 1b4m n ARG 36 N -4.79 0.00 0.00 1.57 0.63 -1.26 -5.07 116.66 107.74 1b4m n ARG 36 Ca 0.32 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1b4m n ARG 36 Cb 1.13 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.04 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1b4m n LEU 37 N 0.00 0.00 -2.25 6.15 -0.00 -1.26 -5.04 117.00 114.60 1b4m n LEU 37 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1b4m n LEU 37 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1b4m n LEU 37 CO 0.00 0.00 0.10 0.41 -0.00 0.00 0.00 177.39 177.90 1b4m n THR 38 N 0.00 1.78 -1.41 1.47 -1.04 -1.26 -5.12 114.28 108.71 1b4m n THR 38 Ca 0.00 -3.36 -0.38 0.00 -2.04 0.00 0.00 64.05 58.26 1b4m n THR 38 Cb 0.00 0.14 0.03 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.61 0.39 -3.15 -2.82 7.27 -1.26 -4.51 117.38 112.69 1b4m n GLN 39 Ca 0.23 0.15 0.05 0.00 0.07 0.00 0.00 57.00 57.51 1b4m n GLN 39 Cb 0.89 -1.55 -0.01 0.00 2.41 0.00 0.00 30.24 31.97 1b4m n GLN 39 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1b4m s THR 40 N -1.79 -0.56 0.06 1.69 2.01 -1.26 -4.82 115.64 110.97 1b4m s THR 40 Ca 0.66 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 1b4m s THR 40 Cb -0.45 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 1b4m s THR 40 CO 0.57 0.00 0.40 -0.75 -0.69 0.00 0.00 174.62 174.15 1b4m s LYS 41 N 2.92 3.78 0.25 4.92 2.36 0.40 -2.11 119.74 132.24 1b4m s LYS 41 Ca 0.09 0.20 0.08 0.00 -2.55 0.00 0.00 55.97 53.80 1b4m s LYS 41 Cb -0.11 -3.03 -0.05 0.00 -1.05 0.00 0.00 37.83 33.59 1b4m s LYS 41 CO -0.16 0.58 -0.13 0.42 1.55 0.00 0.00 175.35 177.61 1b4m s ILE 42 N -1.35 1.86 -0.02 5.43 1.01 0.42 0.71 121.20 129.26 1b4m s ILE 42 Ca 0.31 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1b4m s ILE 42 Cb -0.14 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1b4m s ILE 42 CO 0.17 -0.46 0.02 -0.51 0.00 0.00 0.00 174.94 174.16 1b4m s ILE 43 N -2.89 0.02 -0.07 2.92 2.07 -1.25 0.11 121.20 122.11 1b4m s ILE 43 Ca 0.26 0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 59.56 1b4m s ILE 43 Cb 0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 1b4m s ILE 43 CO 0.10 0.10 -0.20 0.52 -1.91 0.00 0.00 174.94 173.55 1b4m n VAL 44 N 4.10 1.25 -1.73 4.00 0.31 -1.15 -3.40 118.33 121.71 1b4m n VAL 44 Ca -0.27 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1b4m n VAL 44 Cb 0.51 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1b4m n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n GLN 45 N -3.94 -2.87 -1.28 5.55 -0.00 -1.26 -4.81 117.38 108.77 1b4m n GLN 45 Ca -0.08 2.07 -0.05 0.00 -0.00 0.00 0.00 57.00 58.94 1b4m n GLN 45 Cb 0.30 -2.52 -0.02 0.00 -0.00 0.00 0.00 30.24 28.01 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 0.52 -0.90 0.00 2.61 -0.08 -1.25 -4.97 116.55 112.48 1b4m n ASP 46 Ca 0.00 -1.70 0.00 0.00 -1.51 0.00 0.00 54.79 51.58 1b4m n ASP 46 Cb 0.00 0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.78 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 -0.31 0.46 0.07 0.27 0.00 -1.26 -4.64 105.19 99.79 1b4m n GLY 47 Ca -0.20 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 1b4m n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4m h ASP 48 N 0.00 0.09 -3.87 1.61 3.58 -2.00 -3.40 116.42 112.43 1b4m h ASP 48 Ca 0.00 -0.09 -0.75 0.00 0.42 0.00 0.00 57.03 56.61 1b4m h ASP 48 Cb 0.00 -0.03 -0.30 0.00 1.72 0.00 0.00 39.33 40.72 1b4m h ASP 48 CO 0.00 1.05 -0.14 0.20 -2.88 0.00 0.00 179.24 177.47 1b4m s ASN 49 N -6.80 6.06 -0.12 2.28 -0.87 -1.26 0.16 114.94 114.38 1b4m s ASN 49 Ca -0.00 -2.65 -0.05 0.00 -1.57 0.00 0.00 52.86 48.59 1b4m s ASN 49 Cb 0.10 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 39.23 1b4m s ASN 49 CO 0.83 -0.52 0.07 0.12 -2.57 0.00 0.00 177.10 175.03 1b4m s PHE 50 N 0.24 3.35 -0.29 2.20 2.19 -1.20 -3.97 117.98 120.49 1b4m s PHE 50 Ca 0.16 0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.71 1b4m s PHE 50 Cb -0.16 -1.91 0.14 0.00 -1.31 0.00 0.00 43.02 39.77 1b4m s PHE 50 CO -0.06 0.50 0.32 0.15 1.83 0.00 0.00 175.22 177.96 1b4m s LYS 51 N -0.64 0.34 0.58 10.12 1.02 -1.26 -3.42 119.74 126.49 1b4m s LYS 51 Ca 0.11 -0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1b4m s LYS 51 Cb -0.12 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1b4m s LYS 51 CO 0.02 -1.04 1.06 0.99 -0.92 0.00 0.00 175.35 175.47 1b4m s THR 52 N 2.37 3.74 -0.27 2.17 2.01 -0.73 -2.91 115.64 122.02 1b4m s THR 52 Ca 0.10 0.87 -0.20 0.00 0.31 0.00 0.00 61.69 62.77 1b4m s THR 52 Cb -0.14 -3.37 0.07 0.00 0.01 0.00 0.00 72.50 69.08 1b4m s THR 52 CO -0.32 -0.45 0.69 -0.75 -0.69 0.00 0.00 174.62 173.11 1b4m s LYS 53 N -3.93 0.76 0.15 4.92 2.20 0.31 0.12 119.74 124.27 1b4m s LYS 53 Ca 0.65 1.10 -0.01 0.00 -0.36 0.00 0.00 55.97 57.35 1b4m s LYS 53 Cb -0.17 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1b4m s LYS 53 CO 0.34 -0.13 0.33 -0.08 -0.36 0.00 0.00 175.35 175.46 1b4m s THR 54 N 1.03 5.25 -0.17 3.43 -1.32 -1.26 0.16 115.64 122.76 1b4m s THR 54 Ca -0.05 -0.32 0.21 0.00 -1.21 0.00 0.00 61.69 60.31 1b4m s THR 54 Cb -0.05 -3.69 0.43 0.00 -1.51 0.00 0.00 72.50 67.68 1b4m s THR 54 CO -0.10 -0.04 1.18 -3.20 -2.21 0.00 0.00 174.62 170.25 1b4m n ASN 55 N -0.26 0.76 -0.31 8.08 2.85 -0.90 -4.60 115.26 120.89 1b4m n ASN 55 Ca -0.05 -2.04 0.13 0.00 -0.11 0.00 0.00 54.58 52.52 1b4m n ASN 55 Cb 0.53 -0.20 0.26 0.00 1.24 0.00 0.00 39.78 41.61 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1b4m n SER 56 N -0.36 -0.10 0.00 1.20 3.41 -1.26 -4.73 113.62 111.78 1b4m n SER 56 Ca 0.00 1.51 0.00 0.00 -0.26 0.00 0.00 58.87 60.12 1b4m n SER 56 Cb 0.91 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1b4m n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1b4m n THR 57 N -5.29 0.00 -0.06 6.66 5.66 -1.26 -4.20 114.28 115.79 1b4m n THR 57 Ca 0.21 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.09 1b4m n THR 57 Cb 0.69 -0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 1b4m n THR 57 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1b4m n PHE 58 N -2.55 0.00 -3.08 1.09 7.35 -1.26 -4.98 117.46 114.03 1b4m n PHE 58 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1b4m n PHE 58 Cb 0.00 -0.43 -0.00 0.00 0.35 0.00 0.00 39.48 39.39 1b4m n PHE 58 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1b4m s ARG 59 N -2.28 0.62 -0.17 -4.13 3.52 -1.26 -5.13 118.95 110.11 1b4m s ARG 59 Ca -0.18 -0.16 -0.18 0.00 -0.13 0.00 0.00 55.73 55.08 1b4m s ARG 59 Cb 0.06 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1b4m s ARG 59 CO 0.23 -0.90 0.50 0.54 -0.81 0.00 0.00 175.30 174.86 1b4m s ASN 60 N 1.94 6.60 -0.36 -2.12 2.20 -1.26 -4.84 114.94 117.10 1b4m s ASN 60 Ca 0.16 0.72 0.11 0.00 -0.94 0.00 0.00 52.86 52.91 1b4m s ASN 60 Cb -0.02 -2.29 0.45 0.00 -2.00 0.00 0.00 41.25 37.39 1b4m s ASN 60 CO -0.10 -0.11 1.07 -1.22 -2.94 0.00 0.00 177.10 173.79 1b4m n TYR 61 N 4.38 2.37 -0.65 1.54 4.02 -1.26 -5.06 117.16 122.50 1b4m n TYR 61 Ca -0.06 -2.79 -0.24 0.00 -0.01 0.00 0.00 57.90 54.80 1b4m n TYR 61 Cb 0.51 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1b4m n ASP 62 N -0.39 -0.20 -2.89 7.72 5.68 -1.26 -4.79 116.55 120.42 1b4m n ASP 62 Ca 0.27 0.51 -0.30 0.00 -0.50 0.00 0.00 54.79 54.76 1b4m n ASP 62 Cb 0.77 -0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.74 7.48 -4.40 -2.12 7.94 0.33 -4.89 117.00 122.08 1b4m n LEU 63 Ca 0.09 -4.09 -0.44 0.00 -1.11 0.00 0.00 56.01 50.46 1b4m n LEU 63 Cb 0.06 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 42.51 1b4m n LEU 63 CO 0.26 1.94 0.53 -0.62 -1.11 0.00 0.00 177.39 178.40 1b4m s ASP 64 N 1.69 6.18 0.00 1.96 2.15 -1.24 -1.77 116.67 125.64 1b4m s ASP 64 Ca 0.66 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 52.35 1b4m s ASP 64 Cb 0.24 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1b4m s ASP 64 CO -0.06 -1.23 0.00 2.22 -0.17 0.00 0.00 175.17 175.93 1b4m n PHE 65 N 6.81 0.00 -4.57 -5.34 1.16 -1.22 -5.06 117.46 109.23 1b4m n PHE 65 Ca -0.07 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.23 1b4m n PHE 65 Cb 0.43 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.23 1b4m n PHE 65 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1b4m s THR 66 N -1.23 0.63 -0.22 1.97 -1.32 -1.26 -3.24 115.64 110.97 1b4m s THR 66 Ca 0.00 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.49 1b4m s THR 66 Cb 0.00 -2.25 0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1b4m s THR 66 CO 0.00 0.00 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.58 1b4m s VAL 67 N -3.12 2.27 0.00 5.08 1.01 0.12 -4.57 120.40 121.20 1b4m s VAL 67 Ca 0.18 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1b4m s VAL 67 Cb 0.01 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1b4m s VAL 67 CO 0.12 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1b4m n GLY 68 N 4.57 2.48 3.42 4.51 0.00 0.29 -4.84 105.19 115.60 1b4m n GLY 68 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 1b4m n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4m s VAL 69 N -2.37 4.99 -0.75 1.61 1.01 -1.26 -4.83 120.40 118.80 1b4m s VAL 69 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 1b4m s VAL 69 Cb 0.00 -4.70 -0.18 0.00 0.00 0.00 0.00 36.38 31.50 1b4m s VAL 69 CO 0.00 -1.38 2.20 1.21 0.00 0.00 0.00 175.10 177.14 1b4m n GLU 70 N 5.78 0.00 -2.09 2.72 0.00 -1.26 -4.74 120.64 121.05 1b4m n GLU 70 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 57.09 1b4m n GLU 70 Cb 0.48 -1.30 -0.05 0.00 0.00 0.00 0.00 31.44 30.58 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1b4m s PHE 71 N 7.07 1.90 -0.69 4.31 5.36 0.31 -4.86 117.98 131.38 1b4m s PHE 71 Ca 1.14 0.47 -0.13 0.00 -0.96 0.00 0.00 56.93 57.44 1b4m s PHE 71 Cb -1.14 -4.08 -0.18 0.00 -0.34 0.00 0.00 43.02 37.28 1b4m s PHE 71 CO 0.46 -1.60 1.88 -0.25 -1.46 0.00 0.00 175.22 174.26 1b4m n ASP 72 N 13.75 -0.39 -0.51 6.13 8.00 -1.26 -2.29 116.55 139.98 1b4m n ASP 72 Ca 0.41 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1b4m n ASP 72 Cb 0.47 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 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 6.43 0.00 -0.34 -1.24 1.02 -0.37 -4.91 120.64 121.22 1b4m n GLU 73 Ca 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1b4m n GLU 73 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4m n HIS 74 N -1.03 0.00 0.00 -0.32 -0.00 -1.26 -4.76 115.22 107.86 1b4m n HIS 74 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1b4m n HIS 74 Cb 0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 29.99 29.08 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1b4m n THR 75 N 1.81 0.00 -1.42 3.57 -2.24 -1.26 -4.86 114.28 109.89 1b4m n THR 75 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1b4m n THR 75 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1b4m n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b4m n LYS 76 N 0.00 -3.14 -1.48 -0.78 4.01 -1.26 -4.80 118.16 110.71 1b4m n LYS 76 Ca 0.00 2.52 -0.16 0.00 -0.51 0.00 0.00 58.31 60.15 1b4m n LYS 76 Cb 0.00 -3.73 -0.07 0.00 -0.51 0.00 0.00 35.03 30.72 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b4m n GLY 77 N -4.28 1.65 2.07 0.72 0.00 -1.26 -4.44 105.19 99.64 1b4m n GLY 77 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.88 -1.19 0.03 0.99 7.94 -1.26 -5.06 117.00 116.57 1b4m n LEU 78 Ca -0.16 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1b4m n LEU 78 Cb 0.54 1.44 0.00 0.00 0.53 0.00 0.00 43.42 45.94 1b4m n LEU 78 CO 0.25 -0.28 0.00 -0.67 -1.11 0.00 0.00 177.39 175.58 1b4m n ASP 79 N -2.78 0.30 -0.35 1.96 -0.08 -1.26 -4.59 116.55 109.75 1b4m n ASP 79 Ca 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1b4m n ASP 79 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4m n GLY 80 N 2.99 0.49 0.00 0.27 0.00 -1.26 -4.84 105.19 102.83 1b4m n GLY 80 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1b4m n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b4m n ARG 81 N -0.19 0.00 -3.30 1.61 1.85 -1.26 -4.88 116.66 110.50 1b4m n ARG 81 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1b4m n ARG 81 Cb 0.07 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.45 1b4m n ARG 81 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1b4m s ASN 82 N 1.53 -0.66 0.03 2.89 4.22 -1.26 -4.35 114.94 117.34 1b4m s ASN 82 Ca 0.00 0.68 0.01 0.00 -2.14 0.00 0.00 52.86 51.41 1b4m s ASN 82 Cb 0.00 1.66 -0.02 0.00 1.28 0.00 0.00 41.25 44.17 1b4m s ASN 82 CO 0.00 -0.13 -0.05 -0.69 -2.04 0.00 0.00 177.10 174.19 1b4m s VAL 83 N 2.67 0.31 -0.43 3.54 1.01 -1.26 -4.34 120.40 121.90 1b4m s VAL 83 Ca 0.01 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 1b4m s VAL 83 Cb -0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1b4m s VAL 83 CO -0.16 -0.42 2.16 -0.75 0.00 0.00 0.00 175.10 175.92 1b4m s LYS 84 N -1.46 2.63 -0.78 2.72 2.47 -1.26 -1.24 119.74 122.82 1b4m s LYS 84 Ca -0.13 1.39 0.02 0.00 -1.56 0.00 0.00 55.97 55.70 1b4m s LYS 84 Cb -0.10 -4.44 0.20 0.00 -1.46 0.00 0.00 37.83 32.04 1b4m s LYS 84 CO -0.00 -2.68 0.67 2.41 0.16 0.00 0.00 175.35 175.90 1b4m n THR 85 N 7.69 2.36 -3.18 3.43 -1.04 -0.97 -0.17 114.28 122.41 1b4m n THR 85 Ca 0.30 -5.04 -0.33 0.00 -2.04 0.00 0.00 64.05 56.93 1b4m n THR 85 Cb 0.51 -2.24 -0.06 0.00 -1.82 0.00 0.00 70.33 66.71 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 -1.62 4.13 0.03 -4.42 2.96 -1.26 0.11 118.68 118.61 1b4m s LEU 86 Ca 0.28 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 1b4m s LEU 86 Cb -0.02 -3.92 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 1b4m s LEU 86 CO -0.13 -0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.00 1b4m s VAL 87 N -1.87 0.52 -0.29 1.68 1.01 -1.26 -1.96 120.40 118.23 1b4m s VAL 87 Ca 0.51 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1b4m s VAL 87 Cb -0.11 -0.55 0.14 0.00 0.00 0.00 0.00 36.38 35.85 1b4m s VAL 87 CO 0.18 -0.24 0.92 0.28 0.00 0.00 0.00 175.10 176.24 1b4m s THR 88 N -1.04 -0.19 0.46 3.92 -1.32 0.36 0.10 115.64 117.94 1b4m s THR 88 Ca -0.07 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.17 1b4m s THR 88 Cb -0.08 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.84 1b4m s THR 88 CO 0.00 0.00 1.32 0.26 -2.21 0.00 0.00 174.62 173.99 1b4m s TRP 89 N 1.75 2.61 -1.80 9.09 0.52 -1.23 -3.19 118.94 126.69 1b4m s TRP 89 Ca -0.07 1.39 0.18 0.00 0.02 0.00 0.00 56.10 57.62 1b4m s TRP 89 Cb -0.05 -3.70 0.03 0.00 -1.15 0.00 0.00 33.47 28.60 1b4m s TRP 89 CO -0.16 -2.37 0.96 -1.91 0.02 0.00 0.00 176.95 173.49 1b4m n GLU 90 N -0.36 1.58 0.00 4.98 4.07 1.06 -4.87 120.64 127.09 1b4m n GLU 90 Ca 0.06 -1.06 0.00 0.00 -0.06 0.00 0.00 57.16 56.11 1b4m n GLU 90 Cb 0.44 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 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 1.17 1.65 0.00 8.31 0.00 -1.26 -4.76 105.19 110.30 1b4m n GLY 91 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.52 115.26 118.03 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 -0.31 5.53 5.66 -1.26 -4.45 114.28 119.45 1b4m n THR 93 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1b4m n THR 93 Cb 0.00 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.15 1b4m n THR 93 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1b4m h LEU 94 N 0.00 0.69 -0.43 1.09 5.85 -1.80 3.18 115.31 123.88 1b4m h LEU 94 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1b4m h LEU 94 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1b4m h LEU 94 CO 0.00 0.29 0.00 0.52 -0.34 0.00 0.00 178.44 178.91 1b4m n VAL 95 N -4.64 0.00 -3.88 1.05 0.31 -1.19 -1.85 118.33 108.13 1b4m n VAL 95 Ca 0.21 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 1b4m n VAL 95 Cb 0.55 -0.21 -0.14 0.00 -0.91 0.00 0.00 33.84 33.12 1b4m n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s VAL 97 N 0.22 2.40 -0.74 0.00 1.01 -0.83 -3.63 120.40 118.83 1b4m s VAL 97 Ca -0.02 -2.68 -0.26 0.00 0.00 0.00 0.00 61.98 59.02 1b4m s VAL 97 Cb -0.03 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1b4m s VAL 97 CO -0.01 -0.67 2.11 -1.10 0.00 0.00 0.00 175.10 175.43 1b4m s GLN 98 N 0.49 2.27 -0.17 2.72 -1.52 -1.24 -4.11 119.66 118.10 1b4m s GLN 98 Ca 0.13 0.39 -0.14 0.00 -1.95 0.00 0.00 55.36 53.79 1b4m s GLN 98 Cb -0.21 -4.75 -0.09 0.00 -0.22 0.00 0.00 33.01 27.73 1b4m s GLN 98 CO -0.05 -3.46 -0.08 1.17 -0.25 0.00 0.00 175.29 172.62 1b4m n LYS 99 N 8.96 0.50 -1.52 2.91 4.81 0.76 -4.13 118.16 130.45 1b4m n LYS 99 Ca 0.36 0.50 -0.41 0.00 -0.87 0.00 0.00 58.31 57.90 1b4m n LYS 99 Cb 0.49 -1.68 0.02 0.00 0.02 0.00 0.00 35.03 33.88 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 1.52 -0.98 0.74 3.14 0.00 -1.26 -4.72 105.19 103.64 1b4m n GLY 100 Ca -0.19 0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.20 -1.66 -0.29 1.61 4.07 -1.26 -4.37 120.64 118.93 1b4m n GLU 101 Ca 0.11 1.30 0.06 0.00 -0.06 0.00 0.00 57.16 58.57 1b4m n GLU 101 Cb 0.41 -1.96 0.16 0.00 -0.06 0.00 0.00 31.44 29.99 1b4m n GLU 101 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1b4m h LYS 102 N -0.72 0.03 -6.12 5.31 3.11 -1.96 -3.43 116.57 112.78 1b4m h LYS 102 Ca -0.07 -0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 57.16 1b4m h LYS 102 Cb 0.71 -0.01 0.16 0.00 -1.00 0.00 0.00 32.23 32.09 1b4m h LYS 102 CO 0.03 0.02 -0.83 0.39 -2.81 0.00 0.00 179.45 176.25 1b4m n GLU 103 N -5.48 0.17 -3.42 1.90 -0.58 -1.26 -4.96 120.64 107.01 1b4m n GLU 103 Ca 0.15 0.06 -0.26 0.00 -0.42 0.00 0.00 57.16 56.69 1b4m n GLU 103 Cb 0.50 -1.18 -0.08 0.00 -0.57 0.00 0.00 31.44 30.11 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b4m n ASN 104 N 1.96 2.75 -0.45 1.62 4.13 -1.26 -4.76 115.26 119.25 1b4m n ASN 104 Ca 0.11 -3.22 0.13 0.00 1.68 0.00 0.00 54.58 53.27 1b4m n ASN 104 Cb 0.42 -0.67 0.50 0.00 -1.54 0.00 0.00 39.78 38.50 1b4m n ASN 104 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1b4m n ARG 105 N 1.15 1.61 -1.17 3.52 5.12 -1.25 0.11 116.66 125.74 1b4m n ARG 105 Ca 0.27 -0.90 -0.30 0.00 -1.93 0.00 0.00 57.85 55.00 1b4m n ARG 105 Cb 0.43 -1.44 -0.13 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 1.13 -0.38 3.47 -0.13 0.00 -1.25 -4.10 105.19 103.92 1b4m n GLY 106 Ca 0.18 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 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 5.94 3.03 0.32 1.61 -0.00 -1.24 0.69 118.94 129.29 1b4m s TRP 107 Ca 1.06 -0.40 -0.18 0.00 -0.00 0.00 0.00 56.10 56.58 1b4m s TRP 107 Cb -0.94 -2.03 0.06 0.00 -0.00 0.00 0.00 33.47 30.57 1b4m s TRP 107 CO 0.39 -0.16 0.86 -1.59 -0.00 0.00 0.00 176.95 176.46 1b4m s LYS 108 N 0.72 1.95 0.29 5.86 0.00 -0.83 -3.06 119.74 124.67 1b4m s LYS 108 Ca -0.01 -1.25 0.04 0.00 0.00 0.00 0.00 55.97 54.75 1b4m s LYS 108 Cb -0.14 0.55 -0.01 0.00 0.00 0.00 0.00 37.83 38.22 1b4m s LYS 108 CO 0.02 -0.91 0.14 1.04 0.00 0.00 0.00 175.35 175.64 1b4m n GLN 109 N -0.58 0.56 0.00 1.78 1.13 -1.26 -2.27 117.38 116.74 1b4m n GLN 109 Ca -0.07 -2.57 0.00 0.00 -1.94 0.00 0.00 57.00 52.42 1b4m n GLN 109 Cb 0.60 1.60 0.00 0.00 0.11 0.00 0.00 30.24 32.54 1b4m n GLN 109 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 1b4m n TRP 110 N -0.63 0.00 -0.87 1.08 2.14 -1.23 -4.47 117.44 113.46 1b4m n TRP 110 Ca -0.02 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.31 1b4m n TRP 110 Cb 0.46 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.87 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1b4m n VAL 111 N 0.00 0.00 0.41 -1.67 0.31 -1.26 -4.31 118.33 111.81 1b4m n VAL 111 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1b4m n VAL 111 Cb 0.00 -0.29 0.18 0.00 -0.91 0.00 0.00 33.84 32.82 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 4.92 2.36 0.00 5.55 -0.58 -1.23 -5.03 120.64 126.63 1b4m n GLU 112 Ca 0.38 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1b4m n GLU 112 Cb 0.02 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 1.37 -0.25 0.44 0.62 0.00 -1.26 -4.89 105.19 101.22 1b4m n GLY 113 Ca 0.17 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 2.24 -3.59 1.61 8.00 -1.26 -4.99 116.55 118.57 1b4m n ASP 114 Ca 0.00 -3.46 -0.07 0.00 0.71 0.00 0.00 54.79 51.98 1b4m n ASP 114 Cb 0.00 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 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 -3.05 0.41 -0.38 -1.24 -2.85 -1.26 -2.43 119.74 108.93 1b4m s LYS 115 Ca 0.36 0.00 -0.17 0.00 -1.00 0.00 0.00 55.97 55.17 1b4m s LYS 115 Cb 0.33 0.19 0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1b4m s LYS 115 CO -0.01 -0.15 0.43 -0.51 0.10 0.00 0.00 175.35 175.22 1b4m s LEU 116 N -1.48 4.63 -0.72 2.77 1.43 -1.26 -3.51 118.68 120.54 1b4m s LEU 116 Ca 0.04 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 1b4m s LEU 116 Cb -0.01 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1b4m s LEU 116 CO -0.03 -0.49 1.64 -0.31 0.23 0.00 0.00 176.35 177.39 1b4m s TYR 117 N 2.16 1.95 -1.31 0.29 1.51 -1.26 -4.31 117.35 116.37 1b4m s TYR 117 Ca 0.13 0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 56.38 1b4m s TYR 117 Cb -0.17 -4.31 0.07 0.00 -0.11 0.00 0.00 41.96 37.44 1b4m s TYR 117 CO 0.13 -2.14 1.77 -0.11 -1.11 0.00 0.00 175.55 174.09 1b4m n LEU 118 N 11.46 5.11 -4.64 -1.29 0.00 -1.26 -3.52 117.00 122.87 1b4m n LEU 118 Ca 0.18 -3.95 -0.39 0.00 0.00 0.00 0.00 56.01 51.84 1b4m n LEU 118 Cb 0.50 -1.74 -0.08 0.00 0.00 0.00 0.00 43.42 42.11 1b4m n LEU 118 CO 0.69 0.25 0.14 -1.61 0.00 0.00 0.00 177.39 176.87 1b4m s GLU 119 N 4.07 4.11 0.06 1.96 2.02 -0.96 -3.42 118.70 126.53 1b4m s GLU 119 Ca 0.53 0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.77 1b4m s GLU 119 Cb 0.05 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 1b4m s GLU 119 CO 0.06 -0.20 -0.10 -0.48 0.02 0.00 0.00 175.26 174.57 1b4m s LEU 120 N 1.82 2.28 0.38 1.80 2.34 -0.97 -1.97 118.68 124.35 1b4m s LEU 120 Ca 0.19 -0.59 0.08 0.00 0.06 0.00 0.00 54.13 53.86 1b4m s LEU 120 Cb -0.15 -0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.17 1b4m s LEU 120 CO 0.09 -0.17 0.35 -0.89 -1.06 0.00 0.00 176.35 174.67 1b4m s THR 121 N -1.44 3.02 -0.31 5.48 2.01 0.22 0.14 115.64 124.76 1b4m s THR 121 Ca -0.06 -1.34 0.11 0.00 0.31 0.00 0.00 61.69 60.71 1b4m s THR 121 Cb -0.09 -3.07 0.35 0.00 0.01 0.00 0.00 72.50 69.69 1b4m s THR 121 CO 0.01 -0.07 1.39 0.00 -0.69 0.00 0.00 174.62 175.26 1b4m n GLY 123 N -1.20 -0.51 0.00 0.00 0.00 0.14 -3.69 105.19 99.93 1b4m n GLY 123 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.11 0.00 -4.77 1.61 9.92 -1.26 -4.84 116.55 116.10 1b4m n ASP 124 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1b4m n ASP 124 Cb 0.47 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.00 4.30 -0.53 -1.24 -1.52 -1.26 -5.01 119.66 114.41 1b4m s GLN 125 Ca 0.00 1.70 0.04 0.00 -1.95 0.00 0.00 55.36 55.15 1b4m s GLN 125 Cb 0.00 -2.80 0.14 0.00 -0.22 0.00 0.00 33.01 30.13 1b4m s GLN 125 CO 0.00 -0.06 0.31 0.08 -0.25 0.00 0.00 175.29 175.37 1b4m s VAL 126 N -1.42 2.09 0.45 1.09 1.01 -1.26 0.10 120.40 122.45 1b4m s VAL 126 Ca 0.53 -3.23 -0.25 0.00 0.00 0.00 0.00 61.98 59.04 1b4m s VAL 126 Cb -0.28 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1b4m s VAL 126 CO 0.35 -0.91 1.25 0.00 0.00 0.00 0.00 175.10 175.79 1b4m s ARG 128 N -2.31 1.56 -0.05 0.00 3.52 -1.19 -2.28 118.95 118.20 1b4m s ARG 128 Ca 0.63 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1b4m s ARG 128 Cb -0.49 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1b4m s ARG 128 CO 0.56 0.22 -0.19 -0.65 -0.81 0.00 0.00 175.30 174.43 1b4m s GLN 129 N 0.05 1.96 -0.56 5.12 -1.52 -1.22 -1.70 119.66 121.79 1b4m s GLN 129 Ca -0.03 -0.69 0.06 0.00 -1.95 0.00 0.00 55.36 52.75 1b4m s GLN 129 Cb -0.11 -1.70 0.21 0.00 -0.22 0.00 0.00 33.01 31.19 1b4m s GLN 129 CO 0.02 0.29 0.55 0.28 -0.25 0.00 0.00 175.29 176.18 1b4m n VAL 130 N 3.06 0.84 -0.23 1.09 0.31 -1.18 -4.12 118.33 118.11 1b4m n VAL 130 Ca -0.18 -4.53 -0.15 0.00 -0.01 0.00 0.00 64.34 59.48 1b4m n VAL 130 Cb 0.53 -2.01 0.14 0.00 -0.91 0.00 0.00 33.84 31.59 1b4m n VAL 130 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1b4m n PHE 131 N 1.65 -2.56 -3.15 3.52 3.01 -1.26 -2.34 117.46 116.32 1b4m n PHE 131 Ca 0.25 -0.28 0.04 0.00 1.01 0.00 0.00 57.45 58.48 1b4m n PHE 131 Cb 0.43 -0.82 -0.01 0.00 -0.01 0.00 0.00 39.48 39.07 1b4m n PHE 131 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b4m s LYS 132 N -3.55 0.45 0.11 -1.08 2.47 -1.26 -4.40 119.74 112.48 1b4m s LYS 132 Ca 0.32 0.72 -0.35 0.00 -1.56 0.00 0.00 55.97 55.09 1b4m s LYS 132 Cb -0.06 0.39 -0.15 0.00 -1.46 0.00 0.00 37.83 36.55 1b4m s LYS 132 CO 0.27 -0.57 1.48 1.17 0.16 0.00 0.00 175.35 177.86 1b4m n LYS 133 N 5.42 1.68 0.00 4.03 4.81 -1.02 -2.90 118.16 130.18 1b4m n LYS 133 Ca -0.01 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1b4m n LYS 133 Cb 0.53 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93