#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s n SER 2 N 0.00 -1.17 -0.17 7.83 3.41 -1.26 -5.04 113.62 117.21 1i1s n SER 2 Ca 0.00 0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 58.93 1i1s n SER 2 Cb 0.00 1.33 0.15 0.00 -0.26 0.00 0.00 64.21 65.43 1i1s n SER 2 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1i1s h LYS 3 N 0.00 0.93 -0.92 4.33 2.10 -1.96 -2.61 116.57 118.45 1i1s h LYS 3 Ca 0.00 -0.20 0.04 0.00 -2.00 0.00 0.00 60.65 58.49 1i1s h LYS 3 Cb 0.00 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 31.14 1i1s h LYS 3 CO 0.00 0.83 0.60 -0.39 -2.00 0.00 0.00 179.45 178.49 1i1s h VAL 4 N 0.89 1.15 -0.89 0.07 -1.51 -1.92 0.51 116.25 114.56 1i1s h VAL 4 Ca 0.19 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.31 1i1s h VAL 4 Cb 0.31 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 29.32 1i1s h VAL 4 CO -0.00 0.21 0.57 0.74 -1.23 0.00 0.00 177.57 177.86 1i1s h THR 5 N 1.15 1.14 -0.60 7.19 2.02 -1.75 0.20 112.91 122.25 1i1s h THR 5 Ca 0.37 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1i1s h THR 5 Cb 0.02 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1i1s h THR 5 CO -0.11 0.20 0.19 1.88 0.37 0.00 0.00 175.52 178.05 1i1s h TYR 6 N 1.10 0.93 -0.40 3.16 0.05 -0.73 -0.35 116.97 120.74 1i1s h TYR 6 Ca 0.36 -0.08 0.03 0.00 0.05 0.00 0.00 58.73 59.09 1i1s h TYR 6 Cb 0.02 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 1i1s h TYR 6 CO -0.02 0.75 0.21 0.82 -1.05 0.00 0.00 178.16 178.87 1i1s h ILE 7 N 0.88 0.99 -0.79 -2.88 1.08 0.14 0.51 117.51 117.44 1i1s h ILE 7 Ca 0.20 -0.14 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 1i1s h ILE 7 Cb 0.25 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.47 1i1s h ILE 7 CO -0.01 0.08 0.46 0.40 -0.69 0.00 0.00 178.15 178.38 1i1s h ILE 8 N 0.42 0.94 0.13 -0.67 2.04 -0.41 0.92 117.51 120.88 1i1s h ILE 8 Ca 0.17 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1i1s h ILE 8 Cb 0.06 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1i1s h ILE 8 CO -0.11 0.14 -0.06 0.50 0.00 0.00 0.00 178.15 178.63 1i1s h LYS 9 N 0.79 -0.17 -0.17 2.37 1.63 -0.19 0.16 116.57 121.00 1i1s h LYS 9 Ca 0.37 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.12 1i1s h LYS 9 Cb 0.29 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1i1s h LYS 9 CO -0.22 -0.06 -0.12 0.00 -3.45 0.00 0.00 179.45 175.59 1i1s h ALA 10 N 0.64 0.24 -0.60 5.00 0.00 0.42 -2.68 119.26 122.28 1i1s h ALA 10 Ca -0.02 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1i1s h ALA 10 Cb 0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1i1s h ALA 10 CO 0.03 0.10 0.08 1.03 0.00 0.00 0.00 179.25 180.49 1i1s h SER 11 N 0.04 -0.09 0.00 0.00 0.87 -0.92 -3.47 113.55 109.97 1i1s h SER 11 Ca 0.03 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1i1s h SER 11 Cb 0.63 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1i1s h SER 11 CO 0.03 -0.04 0.00 -3.20 -0.53 0.00 0.00 176.83 173.10 1i1s n ASN 12 N -5.18 0.00 -3.89 6.23 2.85 -0.95 -4.79 115.26 109.53 1i1s n ASN 12 Ca 0.09 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.31 1i1s n ASN 12 Cb 0.33 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.35 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1i1s n ASP 13 N 0.00 -1.06 -0.04 1.20 2.03 0.53 -4.89 116.55 114.31 1i1s n ASP 13 Ca 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 54.79 54.33 1i1s n ASP 13 Cb 0.00 -3.39 -0.01 0.00 -0.72 0.00 0.00 41.12 37.00 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1i1s n VAL 14 N -4.38 0.79 -0.88 5.18 0.31 -1.26 -5.07 118.33 113.01 1i1s n VAL 14 Ca -0.26 0.32 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 1i1s n VAL 14 Cb 0.66 -1.96 0.21 0.00 -0.91 0.00 0.00 33.84 31.84 1i1s n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i1s s LEU 15 N -6.53 1.18 0.00 7.52 2.01 -1.26 -5.07 118.68 116.53 1i1s s LEU 15 Ca -0.13 1.32 0.00 0.00 0.01 0.00 0.00 54.13 55.33 1i1s s LEU 15 Cb 0.02 -3.36 0.00 0.00 0.01 0.00 0.00 46.19 42.86 1i1s s LEU 15 CO 0.19 -3.68 0.00 0.59 1.01 0.00 0.00 176.35 174.47 1i1s n ASN 16 N -4.55 0.00 0.05 2.29 3.02 -1.26 -4.82 115.26 109.99 1i1s n ASN 16 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.47 1i1s n ASN 16 Cb 0.56 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1i1s h GLU 17 N 0.00 -0.44 -0.06 3.52 5.08 -1.98 -3.17 114.58 117.53 1i1s h GLU 17 Ca 0.00 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1i1s h GLU 17 Cb 0.00 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1i1s h GLU 17 CO 0.00 -0.29 0.02 0.87 -1.00 0.00 0.00 179.01 178.60 1i1s h LYS 18 N -0.46 0.09 -0.21 2.33 1.57 -1.96 0.12 116.57 118.06 1i1s h LYS 18 Ca 0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1i1s h LYS 18 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1i1s h LYS 18 CO -0.28 0.27 -0.25 1.79 -0.57 0.00 0.00 179.45 180.41 1i1s h THR 19 N -0.10 1.26 -0.33 -0.16 1.35 -1.90 -1.56 112.91 111.46 1i1s h THR 19 Ca 0.02 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1i1s h THR 19 Cb 0.22 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1i1s h THR 19 CO -0.00 0.38 0.18 0.00 -0.25 0.00 0.00 175.52 175.83 1i1s h ALA 20 N 1.39 0.42 -0.43 6.62 0.00 -1.18 0.22 119.26 126.29 1i1s h ALA 20 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1i1s h ALA 20 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1i1s h ALA 20 CO 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.09 1i1s h THR 21 N 0.41 1.27 0.10 0.00 1.03 -0.77 -1.20 112.91 113.75 1i1s h THR 21 Ca 0.12 -1.28 -0.00 0.00 -0.01 0.00 0.00 66.41 65.23 1i1s h THR 21 Cb 0.07 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1i1s h THR 21 CO -0.02 0.43 -0.05 0.40 -0.01 0.00 0.00 175.52 176.28 1i1s h ILE 22 N 0.73 1.06 -0.99 0.00 1.08 -1.06 0.17 117.51 118.50 1i1s h ILE 22 Ca 0.11 -0.61 0.18 0.00 -0.39 0.00 0.00 64.86 64.15 1i1s h ILE 22 Cb 0.68 1.45 -0.10 0.00 -3.07 0.00 0.00 36.82 35.78 1i1s h ILE 22 CO 0.05 0.15 0.61 0.25 -0.69 0.00 0.00 178.15 178.52 1i1s h LEU 23 N -0.42 0.74 -0.06 1.44 5.85 -0.61 -1.15 115.31 121.11 1i1s h LEU 23 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1i1s h LEU 23 Cb 0.35 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1i1s h LEU 23 CO 0.02 0.29 0.03 0.40 -0.34 0.00 0.00 178.44 178.84 1i1s h ILE 24 N 0.74 1.09 -0.51 4.05 1.08 -0.68 0.46 117.51 123.73 1i1s h ILE 24 Ca 0.55 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.78 1i1s h ILE 24 Cb 0.89 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1i1s h ILE 24 CO -0.33 0.08 0.31 0.74 -0.69 0.00 0.00 178.15 178.26 1i1s h THR 25 N -0.01 1.07 0.03 -0.27 2.02 0.50 0.20 112.91 116.44 1i1s h THR 25 Ca 0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1i1s h THR 25 Cb 0.10 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1i1s h THR 25 CO -0.00 0.11 -0.02 0.40 0.37 0.00 0.00 175.52 176.39 1i1s h ILE 26 N 0.63 1.02 -0.55 3.11 2.04 -1.35 -3.18 117.51 119.23 1i1s h ILE 26 Ca 0.20 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1i1s h ILE 26 Cb 0.00 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 1i1s h ILE 26 CO -0.08 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.23 1i1s h ALA 27 N 0.85 0.64 -0.04 1.87 0.00 0.22 0.21 119.26 123.01 1i1s h ALA 27 Ca -0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1i1s h ALA 27 Cb 0.10 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1i1s h ALA 27 CO 0.01 -0.29 -0.40 -0.22 0.00 0.00 0.00 179.25 178.35 1i1s h LYS 28 N 0.26 -0.51 -5.06 0.00 3.64 -0.84 -3.43 116.57 110.63 1i1s h LYS 28 Ca 0.28 0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 59.07 1i1s h LYS 28 Cb 0.39 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.18 1i1s h LYS 28 CO -0.36 -0.34 -0.39 0.21 -2.27 0.00 0.00 179.45 176.31 1i1s s LYS 29 N -5.92 4.01 -0.38 1.90 2.20 0.74 -5.03 119.74 117.26 1i1s s LYS 29 Ca -0.16 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.12 1i1s s LYS 29 Cb 0.09 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1i1s s LYS 29 CO 0.64 -0.17 0.59 -0.51 -0.36 0.00 0.00 175.35 175.55 1i1s s ASP 30 N 1.55 6.36 -1.06 1.43 1.11 -1.26 -2.73 116.67 122.08 1i1s s ASP 30 Ca 0.11 -0.05 -0.07 0.00 0.18 0.00 0.00 52.55 52.72 1i1s s ASP 30 Cb -0.15 -2.30 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 1i1s s ASP 30 CO 0.09 -0.60 0.91 0.49 1.18 0.00 0.00 175.17 177.25 1i1s n PHE 31 N 5.98 -2.43 0.00 4.23 3.01 -1.25 -5.04 117.46 121.96 1i1s n PHE 31 Ca -0.03 0.83 0.00 0.00 1.01 0.00 0.00 57.45 59.26 1i1s n PHE 31 Cb 0.48 -4.09 0.00 0.00 -0.01 0.00 0.00 39.48 35.87 1i1s n PHE 31 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1i1s n ILE 32 N -3.31 0.00 -4.06 4.37 3.06 -1.10 -4.90 119.36 113.42 1i1s n ILE 32 Ca -0.07 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.06 1i1s n ILE 32 Cb 0.62 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.76 1i1s n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1i1s n THR 33 N -1.50 0.00 -0.30 9.51 -2.24 -1.26 -3.62 114.28 114.87 1i1s n THR 33 Ca 0.00 -1.42 0.09 0.00 -2.27 0.00 0.00 64.05 60.45 1i1s n THR 33 Cb 0.00 0.77 0.31 0.00 -2.10 0.00 0.00 70.33 69.31 1i1s n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1s h ALA 34 N 1.75 1.68 -0.12 6.98 0.00 -1.95 -2.22 119.26 125.39 1i1s h ALA 34 Ca -0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1i1s h ALA 34 Cb 0.78 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1i1s h ALA 34 CO 0.23 0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 1i1s h ALA 35 N 1.57 0.07 -0.68 0.00 0.00 -1.97 0.76 119.26 119.02 1i1s h ALA 35 Ca 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1i1s h ALA 35 Cb 0.55 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1i1s h ALA 35 CO -0.21 -0.49 0.36 1.49 0.00 0.00 0.00 179.25 180.39 1i1s h GLU 36 N -0.01 0.96 -0.93 0.00 4.81 -1.88 0.24 114.58 117.76 1i1s h GLU 36 Ca 0.06 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1i1s h GLU 36 Cb 0.11 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1i1s h GLU 36 CO -0.14 0.73 0.61 0.28 -0.73 0.00 0.00 179.01 179.77 1i1s h VAL 37 N 0.93 1.22 -0.60 0.32 2.07 -1.03 0.49 116.25 119.64 1i1s h VAL 37 Ca 0.24 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1i1s h VAL 37 Cb 0.07 -0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 29.65 1i1s h VAL 37 CO -0.04 0.23 0.26 0.03 0.02 0.00 0.00 177.57 178.07 1i1s h ARG 38 N 1.24 0.45 -0.26 1.57 3.08 -0.41 -3.30 114.38 116.75 1i1s h ARG 38 Ca 0.35 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1i1s h ARG 38 CO -0.08 0.30 -0.48 0.93 -1.07 0.00 0.00 179.97 179.56 1i1s h GLU 39 N 0.46 0.80 0.23 0.04 4.39 0.33 -3.07 114.58 117.75 1i1s h GLU 39 Ca 0.29 -0.50 0.01 0.00 0.34 0.00 0.00 59.36 59.50 1i1s h GLU 39 Cb 0.32 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1i1s h GLU 39 CO -0.26 1.13 -0.32 -0.24 -1.16 0.00 0.00 179.01 178.15 1i1s h VAL 40 N 0.55 0.32 -2.19 3.13 3.04 -0.64 -3.45 116.25 117.01 1i1s h VAL 40 Ca 0.01 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.12 1i1s h VAL 40 Cb 1.09 0.32 0.03 0.00 -2.01 0.00 0.00 31.29 30.72 1i1s h VAL 40 CO 0.11 0.00 1.05 0.00 -1.01 0.00 0.00 177.57 177.72 1i1s n HIS 41 N -5.43 2.38 0.38 3.17 1.44 -1.16 -4.89 115.22 111.12 1i1s n HIS 41 Ca -0.08 -0.02 -0.15 0.00 -2.01 0.00 0.00 57.72 55.47 1i1s n HIS 41 Cb 0.33 -2.67 -0.07 0.00 0.12 0.00 0.00 29.99 27.71 1i1s n HIS 41 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1i1s h PRO 42 N 8.58 -0.93 -1.22 -1.40 0.10 -1.92 -3.44 132.00 131.77 1i1s h PRO 42 Ca -0.48 0.06 -0.40 0.00 0.10 0.00 0.00 66.00 65.29 1i1s h PRO 42 Cb 1.26 0.21 -0.40 0.00 0.10 0.00 0.00 31.00 32.17 1i1s h PRO 42 CO 0.93 -0.62 -1.15 -3.47 0.10 0.00 0.00 178.00 173.79 1i1s n ASP 43 N -4.86 1.69 -0.01 -2.05 -0.08 -1.26 -4.68 116.55 105.30 1i1s n ASP 43 Ca -0.12 -2.86 -0.01 0.00 -1.51 0.00 0.00 54.79 50.29 1i1s n ASP 43 Cb 0.38 -0.54 -0.00 0.00 2.34 0.00 0.00 41.12 43.30 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1i1s n LEU 44 N -0.05 0.24 0.00 -2.67 4.32 -1.26 -5.05 117.00 112.54 1i1s n LEU 44 Ca 0.14 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1i1s n LEU 44 Cb 0.77 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1i1s n LEU 44 CO 0.27 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.56 1i1s n GLY 45 N 1.62 4.00 0.17 -0.72 0.00 -1.26 -4.76 105.19 104.24 1i1s n GLY 45 Ca -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 1i1s n GLY 45 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1i1s h ASN 46 N 0.00 -0.40 -0.22 1.61 -0.00 -1.96 0.43 115.58 115.06 1i1s h ASN 46 Ca 0.00 0.12 -0.04 0.00 -0.00 0.00 0.00 56.30 56.38 1i1s h ASN 46 Cb 0.00 0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 1i1s h ASN 46 CO 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 177.43 177.26 1i1s h ALA 47 N 1.33 0.29 -0.58 1.57 0.00 -2.01 -2.86 119.26 117.00 1i1s h ALA 47 Ca 0.18 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 47 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i1s h ALA 47 CO -0.40 0.05 0.09 -0.39 0.00 0.00 0.00 179.25 178.61 1i1s h VAL 48 N 0.14 1.25 -0.70 0.00 -1.51 -1.70 -2.91 116.25 110.81 1i1s h VAL 48 Ca 0.06 -0.95 0.03 0.00 -1.23 0.00 0.00 66.70 64.60 1i1s h VAL 48 Cb 0.46 0.70 -0.04 0.00 -2.13 0.00 0.00 31.29 30.28 1i1s h VAL 48 CO 0.02 0.35 0.44 0.58 -1.23 0.00 0.00 177.57 177.73 1i1s h VAL 49 N 0.88 1.11 -0.50 7.19 2.07 -0.06 0.58 116.25 127.52 1i1s h VAL 49 Ca 0.18 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 49 Cb 0.39 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1i1s h VAL 49 CO 0.01 0.16 0.12 -1.13 0.02 0.00 0.00 177.57 176.75 1i1s h ASN 50 N 0.87 0.04 -0.56 0.57 -0.73 -1.41 -2.35 115.58 112.01 1i1s h ASN 50 Ca 0.28 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.50 1i1s h ASN 50 Cb -0.01 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1i1s h ASN 50 CO -0.10 0.05 0.24 -1.28 -0.37 0.00 0.00 177.43 175.97 1i1s h SER 51 N 0.26 0.76 -0.40 1.15 0.87 -0.57 -2.85 113.55 112.76 1i1s h SER 51 Ca 0.25 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1i1s h SER 51 Cb 0.33 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1i1s h SER 51 CO -0.31 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.24 1i1s h ASN 52 N 0.76 0.94 -0.05 6.23 2.35 0.34 0.43 115.58 126.57 1i1s h ASN 52 Ca 0.19 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1i1s h ASN 52 Cb 0.18 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1i1s h ASN 52 CO -0.02 1.13 -0.01 0.40 -1.65 0.00 0.00 177.43 177.28 1i1s h ILE 53 N 0.79 1.29 -0.82 2.81 2.04 -1.51 -2.50 117.51 119.61 1i1s h ILE 53 Ca 0.10 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1i1s h ILE 53 Cb 0.79 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1i1s h ILE 53 CO 0.07 0.24 0.53 1.23 0.00 0.00 0.00 178.15 180.22 1i1s h GLY 54 N -0.23 1.18 1.48 5.37 0.00 -1.24 0.18 103.07 109.81 1i1s h GLY 54 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1i1s h GLY 54 CO 0.00 0.36 -0.30 -0.24 0.00 0.00 0.00 176.54 176.36 1i1s h VAL 55 N 1.04 1.28 -0.44 4.60 3.04 -0.18 0.58 116.25 126.17 1i1s h VAL 55 Ca 0.32 -1.40 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 1i1s h VAL 55 Cb -0.02 1.39 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 1i1s h VAL 55 CO -0.10 0.45 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.51 0.06 -0.67 3.16 4.07 -1.23 -2.77 115.31 118.44 1i1s h LEU 56 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.78 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.57 1i1s h LEU 56 CO 0.06 0.06 0.34 0.40 -1.08 0.00 0.00 178.44 178.22 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.12 0.72 117.51 122.12 1i1s h ILE 57 Ca 0.21 -0.61 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 1i1s h ILE 57 Cb 0.25 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1i1s h ILE 57 CO -0.26 0.25 -0.24 0.07 -0.69 0.00 0.00 178.15 177.28 1i1s h LYS 58 N 0.93 0.00 0.04 2.37 5.09 0.07 -1.57 116.57 123.50 1i1s h LYS 58 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.43 1i1s h LYS 58 CO -0.03 0.24 -0.02 0.87 -2.09 0.00 0.00 179.45 178.42 1i1s h LYS 59 N 0.00 -0.05 -3.49 0.07 1.57 -1.18 -3.50 116.57 109.98 1i1s h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i1s h LYS 59 Cb 0.74 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1i1s h LYS 59 CO 0.03 0.56 -0.40 0.41 -0.57 0.00 0.00 179.45 179.49 1i1s n GLY 60 N 0.77 -3.52 3.12 3.86 0.00 0.96 -5.05 105.19 105.32 1i1s n GLY 60 Ca -0.09 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1i1s n GLY 60 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1i1s s LEU 61 N -0.18 -1.47 -0.00 0.99 2.34 0.21 -4.94 118.68 115.64 1i1s s LEU 61 Ca -0.07 -0.12 -0.12 0.00 0.06 0.00 0.00 54.13 53.88 1i1s s LEU 61 Cb 0.00 1.86 0.01 0.00 -0.56 0.00 0.00 46.19 47.51 1i1s s LEU 61 CO 0.20 -0.28 0.24 0.54 -1.06 0.00 0.00 176.35 175.99 1i1s s VAL 62 N 2.56 0.07 -0.22 1.48 0.11 -1.17 -4.62 120.40 118.62 1i1s s VAL 62 Ca 0.11 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1i1s s VAL 62 Cb -0.09 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1i1s s VAL 62 CO -0.22 -0.32 0.08 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.47 3.87 -0.25 1.54 2.02 0.16 -4.12 118.70 120.44 1i1s s GLU 63 Ca -0.13 -0.39 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 1i1s s GLU 63 Cb -0.06 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.88 1i1s s GLU 63 CO 0.03 0.07 1.02 0.21 0.02 0.00 0.00 175.26 176.60 1i1s s LYS 64 N 0.95 4.20 -0.34 1.61 2.36 -1.26 -0.53 119.74 126.73 1i1s s LYS 64 Ca 0.04 1.22 -0.02 0.00 -2.55 0.00 0.00 55.97 54.66 1i1s s LYS 64 Cb -0.14 -3.67 0.07 0.00 -1.05 0.00 0.00 37.83 33.04 1i1s s LYS 64 CO 0.03 -0.68 0.07 0.45 1.55 0.00 0.00 175.35 176.77 1i1s s SER 65 N 1.33 5.02 -0.71 1.43 0.15 0.82 -4.94 113.70 116.80 1i1s s SER 65 Ca 0.43 -1.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.37 1i1s s SER 65 Cb -0.14 -1.75 0.11 0.00 -1.71 0.00 0.00 66.02 62.52 1i1s s SER 65 CO 0.08 -0.35 0.88 -0.83 1.20 0.00 0.00 173.24 174.23 1i1s s GLY 66 N 1.41 1.78 -0.23 9.45 0.00 -1.26 0.34 107.32 118.80 1i1s s GLY 66 Ca -0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 44.72 42.31 1i1s s GLY 66 CO -0.02 1.79 -0.10 1.22 0.00 0.00 0.00 173.10 175.99 1i1s n ASP 67 N 6.56 1.99 -4.67 1.64 8.00 -1.26 -5.16 116.55 123.65 1i1s n ASP 67 Ca 0.02 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 1i1s n ASP 67 Cb 0.45 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1i1s n ASP 67 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1i1s s GLY 68 N -5.91 1.63 -0.13 0.44 0.00 0.15 -4.78 107.32 98.73 1i1s s GLY 68 Ca -0.33 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 42.64 1i1s s GLY 68 CO 0.61 -1.69 0.27 1.08 0.00 0.00 0.00 173.10 173.36 1i1s s LEU 69 N -3.70 4.31 -0.01 0.66 1.43 -1.24 -0.13 118.68 120.00 1i1s s LEU 69 Ca 0.32 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 1i1s s LEU 69 Cb -0.06 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1i1s s LEU 69 CO 0.21 0.21 0.26 0.27 0.23 0.00 0.00 176.35 177.53 1i1s s ILE 70 N -0.15 0.06 0.20 -0.59 -4.36 0.31 -3.90 121.20 112.78 1i1s s ILE 70 Ca 0.17 -0.51 -0.04 0.00 -0.26 0.00 0.00 60.65 60.02 1i1s s ILE 70 Cb -0.13 -0.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.97 1i1s s ILE 70 CO 0.05 -0.28 0.43 0.27 0.24 0.00 0.00 174.94 175.65 1i1s s ILE 71 N -1.26 5.13 0.86 8.37 -4.36 -1.26 0.37 121.20 129.06 1i1s s ILE 71 Ca -0.13 -0.08 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 1i1s s ILE 71 Cb -0.06 -3.69 0.11 0.00 1.25 0.00 0.00 42.46 40.07 1i1s s ILE 71 CO 0.03 -0.13 1.16 0.28 0.24 0.00 0.00 174.94 176.53 1i1s s THR 72 N -1.84 2.00 0.59 8.37 -1.32 -1.26 -4.75 115.64 117.43 1i1s s THR 72 Ca 0.41 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.18 1i1s s THR 72 Cb -0.11 -2.89 0.38 0.00 -1.51 0.00 0.00 72.50 68.37 1i1s s THR 72 CO 0.27 0.00 1.92 1.23 -2.21 0.00 0.00 174.62 175.84 1i1s h GLY 73 N -1.26 0.00 0.92 6.08 0.00 -1.99 -1.83 103.07 104.98 1i1s h GLY 73 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1i1s h GLY 73 CO 0.64 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.89 1i1s h GLU 74 N 0.00 -0.27 -0.29 4.80 3.07 -1.97 -1.94 114.58 117.97 1i1s h GLU 74 Ca 0.20 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1i1s h GLU 74 Cb 1.09 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1i1s h GLU 74 CO -0.00 -0.18 0.10 0.00 -1.40 0.00 0.00 179.01 177.53 1i1s h ALA 75 N 0.54 0.33 -0.82 3.43 0.00 -1.69 -2.63 119.26 118.42 1i1s h ALA 75 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1i1s h ALA 75 Cb 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1i1s h ALA 75 CO 0.00 -0.31 0.54 1.96 0.00 0.00 0.00 179.25 181.45 1i1s h GLN 76 N 0.23 0.55 -0.27 0.00 4.20 -1.03 0.57 115.11 119.35 1i1s h GLN 76 Ca 0.13 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1i1s h GLN 76 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1i1s h GLN 76 CO -0.14 0.36 -0.04 0.22 -0.67 0.00 0.00 178.83 178.56 1i1s h ASP 77 N 0.57 0.51 -0.23 1.46 3.58 -1.17 -2.66 116.42 118.47 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1i1s h ASP 77 Cb 0.77 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1i1s h ASP 77 CO -0.16 0.74 0.10 0.40 -2.88 0.00 0.00 179.24 177.44 1i1s h ILE 78 N 0.27 1.15 -0.27 2.25 1.08 0.28 -2.57 117.51 119.71 1i1s h ILE 78 Ca 0.07 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 78 Cb 0.50 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1i1s h ILE 78 CO 0.02 0.15 0.05 0.40 -0.69 0.00 0.00 178.15 178.09 1i1s h ILE 79 N 0.23 1.22 -0.35 -0.67 1.08 -0.49 0.28 117.51 118.82 1i1s h ILE 79 Ca 0.08 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1i1s h ILE 79 Cb 0.14 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1i1s h ILE 79 CO -0.01 0.24 0.19 0.28 -0.69 0.00 0.00 178.15 178.16 1i1s h SER 80 N 0.26 0.30 -0.22 1.72 0.02 -1.46 0.13 113.55 114.30 1i1s h SER 80 Ca 0.08 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1i1s h SER 80 Cb 0.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1i1s h SER 80 CO 0.00 0.22 -0.11 -1.13 -1.14 0.00 0.00 176.83 174.67 1i1s h ASN 81 N 0.39 0.48 -0.31 3.07 -1.24 -1.37 -2.80 115.58 113.81 1i1s h ASN 81 Ca 0.14 -0.41 -0.05 0.00 0.71 0.00 0.00 56.30 56.69 1i1s h ASN 81 Cb 0.02 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1i1s h ASN 81 CO -0.08 0.79 -0.01 0.00 -1.29 0.00 0.00 177.43 176.84 1i1s h ALA 82 N 0.71 0.41 -0.93 1.57 0.00 -0.13 0.18 119.26 121.06 1i1s h ALA 82 Ca 0.05 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 82 Cb 0.61 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1i1s h ALA 82 CO 0.03 0.17 0.60 0.00 0.00 0.00 0.00 179.25 180.06 1i1s h ALA 83 N 0.83 1.53 -0.86 0.00 0.00 -0.86 0.23 119.26 120.14 1i1s h ALA 83 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1i1s h ALA 83 Cb 0.45 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.02 0.30 0.45 1.15 0.00 0.00 0.00 179.25 181.17 1i1s h THR 84 N 1.01 1.25 -0.85 0.00 2.02 -1.05 0.46 112.91 115.75 1i1s h THR 84 Ca 0.42 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1i1s h THR 84 Cb 0.29 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1i1s h THR 84 CO -0.17 0.29 0.50 -0.07 0.37 0.00 0.00 175.52 176.44 1i1s h LEU 85 N 1.20 1.03 -0.89 2.58 3.38 0.13 0.42 115.31 123.17 1i1s h LEU 85 Ca 0.30 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.35 1i1s h LEU 85 Cb 0.05 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.44 1i1s h LEU 85 CO -0.05 0.81 0.48 0.22 0.09 0.00 0.00 178.44 179.99 1i1s h TYR 86 N 1.18 0.85 -0.34 1.13 5.03 -0.25 -3.12 116.97 121.45 1i1s h TYR 86 Ca 0.30 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 1i1s h TYR 86 Cb -0.03 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 1i1s h TYR 86 CO 0.00 0.19 0.15 0.00 -1.32 0.00 0.00 178.16 177.18 1i1s h ALA 87 N 1.59 0.43 -0.99 1.82 0.00 0.43 -0.88 119.26 121.66 1i1s h ALA 87 Ca 0.50 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1i1s h ALA 87 Cb 0.73 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1i1s h ALA 87 CO -0.37 0.01 0.63 -0.56 0.00 0.00 0.00 179.25 178.96 1i1s h GLN 88 N 0.40 1.03 0.00 0.00 3.07 -1.00 -3.31 115.11 115.30 1i1s h GLN 88 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 1i1s h GLN 88 Cb 0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 27.47 1i1s h GLN 88 CO -0.01 0.68 -0.39 0.39 0.09 0.00 0.00 178.83 179.59 1i1s n GLU 89 N -4.55 0.06 0.37 0.06 -0.58 -1.12 -4.53 120.64 110.35 1i1s n GLU 89 Ca 0.17 0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.76 1i1s n GLU 89 Cb 0.27 -0.61 -0.08 0.00 -0.57 0.00 0.00 31.44 30.45 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1i1s h ASN 90 N -0.12 -0.80 -5.23 1.62 -1.24 -1.38 -3.44 115.58 104.99 1i1s h ASN 90 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1i1s h ASN 90 Cb 0.36 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1i1s h ASN 90 CO -0.01 -0.49 -0.38 0.00 -1.29 0.00 0.00 177.43 175.25 1i1s n ALA 91 N -2.58 -2.90 0.07 1.57 0.00 -0.99 -4.79 120.51 110.89 1i1s n ALA 91 Ca -0.13 0.90 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 1i1s n ALA 91 Cb 0.39 -3.22 -0.05 0.00 0.00 0.00 0.00 19.45 16.58 1i1s n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i1s h PRO 92 N 1.61 -0.25 -1.46 0.00 0.11 -1.87 -3.30 132.00 126.84 1i1s h PRO 92 Ca 0.00 0.02 -0.43 0.00 0.11 0.00 0.00 66.00 65.70 1i1s h PRO 92 Cb 0.98 0.06 -0.33 0.00 0.11 0.00 0.00 31.00 31.81 1i1s h PRO 92 CO 0.22 -0.17 -0.98 0.39 -0.21 0.00 0.00 178.00 177.25 1i1s n GLU 93 N -5.28 0.91 0.12 1.05 1.02 -1.26 -4.77 120.64 112.43 1i1s n GLU 93 Ca -0.06 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 1i1s n GLU 93 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i1s n LEU 94 N 0.65 -2.11 0.10 -4.62 4.77 -1.26 -5.06 117.00 109.47 1i1s n LEU 94 Ca 0.19 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1i1s n LEU 94 Cb 0.64 2.16 0.00 0.00 -2.33 0.00 0.00 43.42 43.89 1i1s n LEU 94 CO 0.16 0.07 0.00 -0.11 -1.33 0.00 0.00 177.39 176.18 1i1s n LEU 95 N -3.00 0.41 0.00 2.23 7.94 -1.26 -5.06 117.00 118.27 1i1s n LEU 95 Ca 0.00 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1i1s n LEU 95 Cb 0.00 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1i1s n LEU 95 CO 0.00 -0.77 0.00 1.17 -1.11 0.00 0.00 177.39 176.68