#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 -1.51 0.03 7.83 3.41 -1.26 -4.85 113.62 117.28 1i1s n SER 2 Ca 0.00 -2.07 -0.12 0.00 -0.26 0.00 0.00 58.87 56.42 1i1s n SER 2 Cb 0.00 1.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.88 1i1s n SER 2 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i1s h LYS 3 N 2.96 -0.13 -0.85 4.33 3.64 -1.99 -3.42 116.57 121.12 1i1s h LYS 3 Ca -0.24 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1i1s h LYS 3 Cb 1.19 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1i1s h LYS 3 CO -0.07 0.35 0.45 -0.39 -2.27 0.00 0.00 179.45 177.53 1i1s h VAL 4 N -0.71 1.25 -0.91 2.00 -1.51 -1.91 -0.54 116.25 113.92 1i1s h VAL 4 Ca -0.01 -0.65 0.04 0.00 -1.23 0.00 0.00 66.70 64.85 1i1s h VAL 4 Cb 0.54 0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 29.77 1i1s h VAL 4 CO 0.02 0.29 0.59 0.00 -1.23 0.00 0.00 177.57 177.24 1i1s h THR 5 N 1.20 1.15 -0.81 7.19 1.03 -1.90 0.43 112.91 121.20 1i1s h THR 5 Ca 0.30 -0.39 0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1i1s h THR 5 Cb 0.05 -0.08 -0.04 0.00 -1.07 0.00 0.00 68.15 67.01 1i1s h THR 5 CO -0.05 0.21 0.53 1.88 -0.01 0.00 0.00 175.52 178.09 1i1s h TYR 6 N 1.13 0.99 -0.40 0.00 0.05 -1.37 0.14 116.97 117.51 1i1s h TYR 6 Ca 0.36 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.18 1i1s h TYR 6 Cb 0.02 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.40 1i1s h TYR 6 CO -0.00 0.59 0.22 0.82 -1.05 0.00 0.00 178.16 178.74 1i1s h ILE 7 N 1.04 1.02 -0.34 -2.88 1.08 0.40 0.50 117.51 118.33 1i1s h ILE 7 Ca 0.31 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 1i1s h ILE 7 Cb -0.03 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.21 1i1s h ILE 7 CO -0.08 0.08 0.06 0.40 -0.69 0.00 0.00 178.15 177.92 1i1s h ILE 8 N 0.45 0.83 -0.15 -0.67 2.04 -0.24 0.52 117.51 120.29 1i1s h ILE 8 Ca 0.16 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1i1s h ILE 8 Cb 0.03 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1i1s h ILE 8 CO -0.09 0.03 -0.12 0.50 0.00 0.00 0.00 178.15 178.47 1i1s h LYS 9 N 0.17 -0.13 -0.17 2.37 1.63 -0.36 -0.44 116.57 119.65 1i1s h LYS 9 Ca 0.16 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1i1s h LYS 9 Cb 0.18 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1i1s h LYS 9 CO -0.21 -0.09 -0.12 0.00 -3.45 0.00 0.00 179.45 175.58 1i1s h ALA 10 N 0.97 0.24 -0.58 5.00 0.00 0.49 -2.51 119.26 122.88 1i1s h ALA 10 Ca 0.10 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1i1s h ALA 10 Cb 0.27 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 10 CO -0.23 0.09 0.06 1.03 0.00 0.00 0.00 179.25 180.21 1i1s h SER 11 N 0.04 -0.12 0.00 0.00 0.87 -0.96 -3.47 113.55 109.90 1i1s h SER 11 Ca 0.03 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1i1s h SER 11 Cb 0.62 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1i1s h SER 11 CO 0.03 -0.05 0.00 -3.20 -0.53 0.00 0.00 176.83 173.09 1i1s n ASN 12 N -5.19 0.00 -3.85 6.23 2.85 -0.89 -4.76 115.26 109.65 1i1s n ASN 12 Ca 0.08 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.30 1i1s n ASN 12 Cb 0.32 0.00 0.01 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 -1.83 -0.05 1.20 2.03 -0.23 -4.89 116.55 112.78 1i1s n ASP 13 Ca 0.00 -0.87 -0.04 0.00 0.52 0.00 0.00 54.79 54.40 1i1s n ASP 13 Cb 0.00 -3.67 -0.01 0.00 -0.72 0.00 0.00 41.12 36.72 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 -4.40 0.94 -0.75 5.18 0.31 -1.26 -5.06 118.33 113.29 1i1s n VAL 14 Ca -0.21 0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 64.14 1i1s n VAL 14 Cb 0.64 -2.08 0.23 0.00 -0.91 0.00 0.00 33.84 31.72 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 -6.93 0.95 0.00 7.52 2.01 -1.26 -5.07 118.68 115.90 1i1s s LEU 15 Ca -0.12 1.35 0.01 0.00 0.01 0.00 0.00 54.13 55.38 1i1s s LEU 15 Cb 0.02 -3.31 0.01 0.00 0.01 0.00 0.00 46.19 42.92 1i1s s LEU 15 CO 0.18 -3.94 0.08 -0.46 1.01 0.00 0.00 176.35 173.22 1i1s n ASN 16 N -4.73 1.60 -0.08 2.29 0.23 -1.26 -4.86 115.26 108.46 1i1s n ASN 16 Ca 0.03 -1.48 -0.02 0.00 -0.53 0.00 0.00 54.58 52.58 1i1s n ASN 16 Cb 0.56 0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.25 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1i1s n GLU 17 N -0.72 -0.08 -0.00 -3.83 4.71 -1.26 -0.28 120.64 119.18 1i1s n GLU 17 Ca -0.01 0.53 -0.12 0.00 -0.01 0.00 0.00 57.16 57.54 1i1s n GLU 17 Cb 0.15 -0.78 -0.07 0.00 -1.01 0.00 0.00 31.44 29.73 1i1s n GLU 17 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1i1s h LYS 18 N 0.00 0.08 -0.09 3.49 1.57 -1.96 0.78 116.57 120.43 1i1s h LYS 18 Ca 0.03 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1i1s h LYS 18 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1i1s h LYS 18 CO -0.17 0.27 -0.44 1.79 -0.57 0.00 0.00 179.45 180.33 1i1s h THR 19 N -0.13 1.32 -0.33 -0.16 1.35 -1.91 -0.41 112.91 112.64 1i1s h THR 19 Ca 0.02 -1.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.28 1i1s h THR 19 Cb 0.23 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1i1s h THR 19 CO -0.00 0.47 0.18 0.00 -0.25 0.00 0.00 175.52 175.92 1i1s h ALA 20 N 1.37 0.42 -0.50 6.62 0.00 -0.13 0.21 119.26 127.25 1i1s h ALA 20 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1i1s h ALA 20 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1i1s h ALA 20 CO 0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.14 1i1s h THR 21 N 0.41 1.27 0.07 0.00 1.03 -0.71 -1.45 112.91 113.53 1i1s h THR 21 Ca 0.12 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1i1s h THR 21 Cb 0.06 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1i1s h THR 21 CO -0.02 0.44 -0.04 0.40 -0.01 0.00 0.00 175.52 176.30 1i1s h ILE 22 N 0.85 1.15 -0.99 0.00 1.08 -0.93 0.90 117.51 119.57 1i1s h ILE 22 Ca 0.13 -0.80 0.18 0.00 -0.39 0.00 0.00 64.86 63.98 1i1s h ILE 22 Cb 0.68 1.66 -0.10 0.00 -3.07 0.00 0.00 36.82 35.99 1i1s h ILE 22 CO 0.05 0.20 0.60 0.25 -0.69 0.00 0.00 178.15 178.56 1i1s h LEU 23 N -0.46 0.78 0.15 1.44 5.85 -0.65 -1.80 115.31 120.62 1i1s h LEU 23 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1i1s h LEU 23 Cb 0.40 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1i1s h LEU 23 CO 0.02 0.30 -0.07 0.40 -0.34 0.00 0.00 178.44 178.74 1i1s h ILE 24 N 0.78 0.90 -0.69 4.05 1.08 -0.85 0.45 117.51 123.22 1i1s h ILE 24 Ca 0.56 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.89 1i1s h ILE 24 Cb 0.83 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.54 1i1s h ILE 24 CO -0.37 0.04 0.44 0.74 -0.69 0.00 0.00 178.15 178.31 1i1s h THR 25 N -0.27 1.11 -0.01 -0.27 2.02 -0.02 0.45 112.91 115.91 1i1s h THR 25 Ca -0.02 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1i1s h THR 25 Cb 0.21 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1i1s h THR 25 CO 0.03 0.16 -0.02 0.40 0.37 0.00 0.00 175.52 176.46 1i1s h ILE 26 N 0.87 0.94 -0.55 3.11 2.04 -1.40 -3.11 117.51 119.40 1i1s h ILE 26 Ca 0.27 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.23 1i1s h ILE 26 Cb -0.01 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1i1s h ILE 26 CO -0.09 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.17 1i1s h ALA 27 N 0.98 0.64 0.50 1.87 0.00 0.41 -0.36 119.26 123.31 1i1s h ALA 27 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 27 Cb 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1i1s h ALA 27 CO -0.04 -0.30 -0.49 0.87 0.00 0.00 0.00 179.25 179.29 1i1s h LYS 28 N 0.25 -0.96 -5.48 0.00 1.79 -0.72 -3.44 116.57 108.02 1i1s h LYS 28 Ca 0.28 0.07 -0.60 0.00 -2.18 0.00 0.00 60.65 58.22 1i1s h LYS 28 Cb 0.40 0.22 -0.11 0.00 -1.58 0.00 0.00 32.23 31.16 1i1s h LYS 28 CO -0.36 -0.64 -0.18 0.21 -1.08 0.00 0.00 179.45 177.40 1i1s s LYS 29 N -5.89 4.20 -0.45 3.15 2.20 -0.14 -5.01 119.74 117.80 1i1s s LYS 29 Ca -0.18 0.26 -0.18 0.00 -0.36 0.00 0.00 55.97 55.50 1i1s s LYS 29 Cb 0.04 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1i1s s LYS 29 CO 0.61 -0.01 0.53 -0.51 -0.36 0.00 0.00 175.35 175.61 1i1s s ASP 30 N 0.97 6.23 -0.92 1.43 1.11 -1.26 -2.92 116.67 121.32 1i1s s ASP 30 Ca 0.20 -0.69 -0.05 0.00 0.18 0.00 0.00 52.55 52.19 1i1s s ASP 30 Cb -0.15 -2.26 -0.06 0.00 1.07 0.00 0.00 42.92 41.52 1i1s s ASP 30 CO 0.08 -0.71 0.80 0.49 1.18 0.00 0.00 175.17 177.01 1i1s n PHE 31 N 5.88 -2.13 0.00 4.23 3.72 -1.24 -5.04 117.46 122.87 1i1s n PHE 31 Ca -0.06 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 1i1s n PHE 31 Cb 0.47 -3.95 0.00 0.00 -0.94 0.00 0.00 39.48 35.06 1i1s n PHE 31 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1i1s n ILE 32 N -3.04 0.00 -4.04 4.37 3.06 -1.15 -4.86 119.36 113.71 1i1s n ILE 32 Ca -0.07 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.07 1i1s n ILE 32 Cb 0.61 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.75 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 -0.69 0.00 -0.22 9.51 -2.24 -1.26 -3.81 114.28 115.56 1i1s n THR 33 Ca 0.00 -1.34 0.02 0.00 -2.27 0.00 0.00 64.05 60.46 1i1s n THR 33 Cb 0.00 0.73 0.14 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.73 0.89 -0.33 6.98 0.00 -1.94 -2.16 119.26 124.43 1i1s h ALA 34 Ca -0.16 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1i1s h ALA 34 Cb 0.75 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1i1s h ALA 34 CO 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 1i1s h ALA 35 N 1.47 0.22 -0.69 0.00 0.00 -1.99 0.14 119.26 118.41 1i1s h ALA 35 Ca 0.35 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1i1s h ALA 35 Cb 0.46 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1i1s h ALA 35 CO -0.34 -0.46 0.36 1.49 0.00 0.00 0.00 179.25 180.30 1i1s h GLU 36 N 0.01 0.97 -0.93 0.00 4.81 -1.90 -0.67 114.58 116.87 1i1s h GLU 36 Ca 0.16 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1i1s h GLU 36 Cb 0.24 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1i1s h GLU 36 CO -0.34 0.74 0.61 0.28 -0.73 0.00 0.00 179.01 179.58 1i1s h VAL 37 N 0.95 1.22 -0.67 0.32 2.07 -0.55 0.49 116.25 120.07 1i1s h VAL 37 Ca 0.24 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.45 1i1s h VAL 37 Cb 0.07 -0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 29.63 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 1.23 0.42 -0.28 1.57 3.08 -0.50 -2.96 114.38 116.95 1i1s h ARG 38 Ca 0.35 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.21 1i1s h ARG 38 Cb -0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1i1s h ARG 38 CO -0.08 0.28 -0.45 0.93 -1.07 0.00 0.00 179.97 179.57 1i1s h GLU 39 N 0.43 0.80 0.00 0.04 4.39 0.13 -3.21 114.58 117.16 1i1s h GLU 39 Ca 0.35 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i1s h GLU 39 Cb 0.47 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1i1s h GLU 39 CO -0.35 1.12 -0.28 1.55 -1.16 0.00 0.00 179.01 179.90 1i1s n VAL 40 N -4.11 0.02 -2.01 3.13 3.14 0.11 -4.62 118.33 113.99 1i1s n VAL 40 Ca -0.04 -0.02 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 1i1s n VAL 40 Cb 0.57 -0.11 -0.03 0.00 -1.06 0.00 0.00 33.84 33.22 1i1s n VAL 40 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1i1s s HIS 41 N -3.01 2.43 0.01 1.45 -3.43 -1.12 -4.84 115.29 106.79 1i1s s HIS 41 Ca 0.12 0.40 -0.14 0.00 -0.80 0.00 0.00 55.06 54.64 1i1s s HIS 41 Cb 0.18 -3.89 -0.08 0.00 -1.43 0.00 0.00 32.58 27.36 1i1s s HIS 41 CO 0.62 -3.55 0.98 -1.00 -2.00 0.00 0.00 174.74 169.79 1i1s h PRO 42 N 8.45 -0.50 -0.73 -0.38 0.13 -1.89 -3.46 132.00 133.63 1i1s h PRO 42 Ca -0.41 0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.30 1i1s h PRO 42 Cb 1.19 0.11 -0.42 0.00 0.13 0.00 0.00 31.00 32.02 1i1s h PRO 42 CO 0.93 -0.33 -0.92 -0.40 -0.23 0.00 0.00 178.00 177.05 1i1s n ASP 43 N -3.71 3.78 -0.02 1.44 5.68 -1.26 -4.54 116.55 117.92 1i1s n ASP 43 Ca -0.06 -3.20 -0.01 0.00 -0.50 0.00 0.00 54.79 51.01 1i1s n ASP 43 Cb 0.20 -0.40 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i1s n LEU 44 N -0.63 0.44 0.00 -2.12 4.32 -1.26 -5.05 117.00 112.69 1i1s n LEU 44 Ca 0.31 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 1i1s n LEU 44 Cb 0.89 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1i1s n LEU 44 CO 0.29 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 1i1s n GLY 45 N 1.67 3.62 0.17 -0.72 0.00 -1.26 -4.82 105.19 103.85 1i1s n GLY 45 Ca -0.02 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 1i1s n GLY 45 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1i1s h ASN 46 N 0.00 -0.32 -0.31 1.61 7.08 -1.93 0.56 115.58 122.28 1i1s h ASN 46 Ca 0.00 0.11 -0.02 0.00 -3.08 0.00 0.00 56.30 53.31 1i1s h ASN 46 Cb 0.00 0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 1i1s h ASN 46 CO 0.00 -0.11 0.13 0.00 -2.08 0.00 0.00 177.43 175.37 1i1s h ALA 47 N 1.38 0.40 -0.53 4.14 0.00 -2.01 -2.49 119.26 120.14 1i1s h ALA 47 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1i1s h ALA 47 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 47 CO -0.38 -0.01 0.11 -0.39 0.00 0.00 0.00 179.25 178.58 1i1s h VAL 48 N 0.35 1.23 -0.66 0.00 -1.51 -1.62 -2.89 116.25 111.15 1i1s h VAL 48 Ca 0.10 -0.84 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1i1s h VAL 48 Cb 0.17 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 1i1s h VAL 48 CO -0.01 0.31 0.33 0.58 -1.23 0.00 0.00 177.57 177.55 1i1s h VAL 49 N 0.79 1.22 -0.50 7.19 2.07 0.42 0.53 116.25 127.98 1i1s h VAL 49 Ca 0.17 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1i1s h VAL 49 Cb 0.32 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1i1s h VAL 49 CO 0.00 0.25 0.12 -1.13 0.02 0.00 0.00 177.57 176.84 1i1s h ASN 50 N 0.90 0.05 -0.56 0.57 -0.73 -1.42 -2.64 115.58 111.75 1i1s h ASN 50 Ca 0.23 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.45 1i1s h ASN 50 Cb 0.10 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 1i1s h ASN 50 CO -0.03 0.06 0.24 -1.28 -0.37 0.00 0.00 177.43 176.04 1i1s h SER 51 N 0.27 0.76 -0.40 1.15 0.87 -0.61 -2.84 113.55 112.75 1i1s h SER 51 Ca 0.25 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 1i1s h SER 51 Cb 0.32 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1i1s h SER 51 CO -0.31 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.25 1i1s h ASN 52 N 0.76 0.93 -0.06 6.23 2.35 0.15 0.40 115.58 126.34 1i1s h ASN 52 Ca 0.19 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1i1s h ASN 52 Cb 0.17 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.12 0.02 0.40 -1.65 0.00 0.00 177.43 177.30 1i1s h ILE 53 N 0.78 1.16 -0.70 2.81 2.04 -1.54 -2.20 117.51 119.87 1i1s h ILE 53 Ca 0.10 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1i1s h ILE 53 Cb 0.78 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1i1s h ILE 53 CO 0.06 0.14 0.44 1.23 0.00 0.00 0.00 178.15 180.03 1i1s h GLY 54 N -0.08 1.00 1.47 5.37 0.00 -1.20 0.09 103.07 109.72 1i1s h GLY 54 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1i1s h GLY 54 CO -0.00 0.30 -0.28 -0.24 0.00 0.00 0.00 176.54 176.31 1i1s h VAL 55 N 0.88 1.28 -0.42 4.60 3.04 -0.21 0.59 116.25 125.99 1i1s h VAL 55 Ca 0.28 -1.37 0.06 0.00 -1.01 0.00 0.00 66.70 64.66 1i1s h VAL 55 Cb -0.01 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.57 1i1s h VAL 55 CO -0.10 0.44 0.09 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.53 0.03 -0.64 3.16 4.07 -1.19 -2.85 115.31 118.42 1i1s h LEU 56 Ca 0.07 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.76 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1i1s h LEU 56 CO 0.06 0.05 0.28 0.40 -1.08 0.00 0.00 178.44 178.15 1i1s h ILE 57 N 0.23 1.23 0.00 1.22 1.08 0.12 0.75 117.51 122.14 1i1s h ILE 57 Ca 0.20 -0.68 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1i1s h ILE 57 Cb 0.24 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1i1s h ILE 57 CO -0.26 0.27 -0.25 0.07 -0.69 0.00 0.00 178.15 177.29 1i1s h LYS 58 N 0.89 0.00 0.03 2.37 5.09 0.07 -1.47 116.57 123.55 1i1s h LYS 58 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.95 1i1s h LYS 58 Cb 0.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.50 1i1s h LYS 58 CO -0.02 0.25 -0.02 0.87 -2.09 0.00 0.00 179.45 178.44 1i1s h LYS 59 N 0.00 -0.04 -3.53 0.07 1.57 -1.25 -3.50 116.57 109.90 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 0.73 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1i1s h LYS 59 CO 0.03 0.59 -0.43 0.41 -0.57 0.00 0.00 179.45 179.49 1i1s n GLY 60 N 0.78 -3.56 3.10 3.86 0.00 0.79 -5.05 105.19 105.10 1i1s n GLY 60 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.19 -1.40 -0.00 0.99 2.34 0.23 -4.94 118.68 115.70 1i1s s LEU 61 Ca -0.08 -0.15 -0.12 0.00 0.06 0.00 0.00 54.13 53.84 1i1s s LEU 61 Cb 0.01 1.80 0.01 0.00 -0.56 0.00 0.00 46.19 47.45 1i1s s LEU 61 CO 0.21 -0.29 0.25 0.54 -1.06 0.00 0.00 176.35 176.00 1i1s s VAL 62 N 2.55 0.07 -0.23 1.48 0.11 -1.17 -4.61 120.40 118.60 1i1s s VAL 62 Ca 0.11 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1i1s s VAL 62 Cb -0.10 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1i1s s VAL 62 CO -0.23 -0.32 0.09 -1.61 -3.33 0.00 0.00 175.10 169.71 1i1s s GLU 63 N -1.46 3.85 -0.31 1.54 2.02 0.15 -4.14 118.70 120.35 1i1s s GLU 63 Ca -0.13 -0.39 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1i1s s GLU 63 Cb -0.06 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.85 1i1s s GLU 63 CO 0.03 0.01 1.03 0.21 0.02 0.00 0.00 175.26 176.56 1i1s s LYS 64 N 1.12 4.08 -0.34 1.61 2.36 -1.26 -0.70 119.74 126.60 1i1s s LYS 64 Ca 0.05 1.05 -0.03 0.00 -2.55 0.00 0.00 55.97 54.49 1i1s s LYS 64 Cb -0.14 -3.72 0.07 0.00 -1.05 0.00 0.00 37.83 32.98 1i1s s LYS 64 CO 0.04 -0.84 0.08 0.45 1.55 0.00 0.00 175.35 176.63 1i1s s SER 65 N 1.59 5.07 -0.85 1.43 0.15 0.11 -4.94 113.70 116.26 1i1s s SER 65 Ca 0.44 -1.51 -0.09 0.00 0.70 0.00 0.00 55.95 55.49 1i1s s SER 65 Cb -0.13 -1.77 0.22 0.00 -1.71 0.00 0.00 66.02 62.63 1i1s s SER 65 CO 0.14 -0.36 0.77 -0.83 1.20 0.00 0.00 173.24 174.15 1i1s s GLY 66 N 1.45 2.81 -0.42 9.45 0.00 -1.26 -0.36 107.32 118.99 1i1s s GLY 66 Ca -0.00 -3.50 0.08 0.00 0.00 0.00 0.00 44.72 41.31 1i1s s GLY 66 CO -0.02 1.23 0.87 1.22 0.00 0.00 0.00 173.10 176.41 1i1s n ASP 67 N 3.36 -0.93 -3.91 1.64 9.92 -1.26 -5.15 116.55 120.22 1i1s n ASP 67 Ca 0.16 -3.28 -0.10 0.00 -0.53 0.00 0.00 54.79 51.04 1i1s n ASP 67 Cb 0.42 0.66 -0.06 0.00 -0.64 0.00 0.00 41.12 41.51 1i1s n ASP 67 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1i1s s GLY 68 N -1.74 0.75 -0.12 0.44 0.00 0.52 -4.76 107.32 102.41 1i1s s GLY 68 Ca 0.31 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.91 1i1s s GLY 68 CO -0.09 -0.76 0.14 1.08 0.00 0.00 0.00 173.10 173.47 1i1s s LEU 69 N -3.06 4.38 -0.03 0.66 1.43 -1.25 0.08 118.68 120.88 1i1s s LEU 69 Ca 0.25 0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 53.60 1i1s s LEU 69 Cb 0.00 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1i1s s LEU 69 CO 0.11 0.39 0.47 0.27 0.23 0.00 0.00 176.35 177.82 1i1s s ILE 70 N -0.94 0.03 0.37 -0.59 -4.36 0.12 -3.73 121.20 112.11 1i1s s ILE 70 Ca 0.15 -0.26 -0.02 0.00 -0.26 0.00 0.00 60.65 60.25 1i1s s ILE 70 Cb -0.12 -0.78 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1i1s s ILE 70 CO 0.04 -0.15 0.61 0.27 0.24 0.00 0.00 174.94 175.95 1i1s s ILE 71 N -1.22 5.04 0.98 8.37 -4.36 -1.26 0.34 121.20 129.09 1i1s s ILE 71 Ca -0.12 -0.21 -0.16 0.00 -0.26 0.00 0.00 60.65 59.90 1i1s s ILE 71 Cb -0.03 -3.84 0.20 0.00 1.25 0.00 0.00 42.46 40.03 1i1s s ILE 71 CO 0.06 -0.60 1.26 0.42 0.24 0.00 0.00 174.94 176.32 1i1s s THR 72 N -2.39 1.93 0.33 8.37 -4.23 -1.26 -4.70 115.64 113.69 1i1s s THR 72 Ca 0.42 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1i1s s THR 72 Cb -0.10 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.16 1i1s s THR 72 CO 0.37 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.51 1i1s h GLY 73 N -1.73 1.44 0.69 3.99 0.00 -1.99 -2.27 103.07 103.21 1i1s h GLY 73 Ca -0.45 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 46.58 1i1s h GLY 73 CO 0.42 0.04 -0.01 0.83 0.00 0.00 0.00 176.54 177.83 1i1s h GLU 74 N 0.74 0.05 -0.30 4.80 3.07 -1.97 -0.13 114.58 120.84 1i1s h GLU 74 Ca 0.51 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.40 1i1s h GLU 74 Cb 0.81 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 1i1s h GLU 74 CO -0.27 0.04 0.10 0.00 -1.40 0.00 0.00 179.01 177.48 1i1s h ALA 75 N 1.17 0.34 -0.82 3.43 0.00 -1.87 -2.63 119.26 118.88 1i1s h ALA 75 Ca 0.09 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1i1s h ALA 75 Cb 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1i1s h ALA 75 CO -0.16 -0.30 0.54 1.96 0.00 0.00 0.00 179.25 181.29 1i1s h GLN 76 N 0.23 0.54 -0.29 0.00 1.08 -0.47 0.56 115.11 116.76 1i1s h GLN 76 Ca 0.13 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1i1s h GLN 76 Cb 0.10 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1i1s h GLN 76 CO -0.14 0.36 -0.05 0.22 -0.95 0.00 0.00 178.83 178.27 1i1s h ASP 77 N 0.55 0.54 -0.24 1.46 3.58 -0.99 -2.44 116.42 118.89 1i1s h ASP 77 Ca 0.40 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1i1s h ASP 77 Cb 0.77 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1i1s h ASP 77 CO -0.16 0.76 0.11 0.40 -2.88 0.00 0.00 179.24 177.48 1i1s h ILE 78 N 0.32 1.15 -0.28 2.25 1.08 0.28 -1.20 117.51 121.11 1i1s h ILE 78 Ca 0.08 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1i1s h ILE 78 Cb 0.51 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1i1s h ILE 78 CO 0.02 0.15 0.08 0.40 -0.69 0.00 0.00 178.15 178.11 1i1s h ILE 79 N 0.25 1.21 -0.33 -0.67 1.08 -0.49 0.40 117.51 118.96 1i1s h ILE 79 Ca 0.08 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1i1s h ILE 79 Cb 0.13 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1i1s h ILE 79 CO -0.01 0.22 0.18 0.28 -0.69 0.00 0.00 178.15 178.14 1i1s h SER 80 N 0.29 0.29 -0.36 1.72 0.02 -1.37 0.65 113.55 114.78 1i1s h SER 80 Ca 0.09 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1i1s h SER 80 Cb 0.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1i1s h SER 80 CO -0.00 0.21 0.10 -1.13 -1.14 0.00 0.00 176.83 174.87 1i1s h ASN 81 N 0.38 0.53 -0.18 3.07 -1.24 -1.07 -2.85 115.58 114.22 1i1s h ASN 81 Ca 0.13 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 1i1s h ASN 81 Cb 0.02 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1i1s h ASN 81 CO -0.07 0.61 -0.00 0.00 -1.29 0.00 0.00 177.43 176.68 1i1s h ALA 82 N 0.94 0.25 -0.94 1.57 0.00 0.11 -0.58 119.26 120.61 1i1s h ALA 82 Ca 0.11 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1i1s h ALA 82 Cb 0.28 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 82 CO -0.00 -0.04 0.60 0.00 0.00 0.00 0.00 179.25 179.81 1i1s h ALA 83 N 0.78 1.64 -0.62 0.00 0.00 -0.94 0.48 119.26 120.60 1i1s h ALA 83 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1i1s h ALA 83 CO 0.01 0.14 0.31 1.15 0.00 0.00 0.00 179.25 180.86 1i1s h THR 84 N 0.88 1.20 -0.52 0.00 2.02 -1.17 0.50 112.91 115.82 1i1s h THR 84 Ca 0.45 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1i1s h THR 84 Cb 0.51 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1i1s h THR 84 CO -0.22 0.23 0.12 -0.07 0.37 0.00 0.00 175.52 175.95 1i1s h LEU 85 N 0.87 0.80 -0.92 2.58 3.38 0.14 -0.33 115.31 121.84 1i1s h LEU 85 Ca 0.22 -0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1i1s h LEU 85 Cb 0.07 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 1i1s h LEU 85 CO -0.03 0.84 0.51 0.22 0.09 0.00 0.00 178.44 180.07 1i1s h TYR 86 N 0.74 0.90 -0.43 1.13 3.20 -0.20 -2.82 116.97 119.48 1i1s h TYR 86 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1i1s h TYR 86 Cb 0.35 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1i1s h TYR 86 CO 0.02 0.21 0.25 0.00 -1.64 0.00 0.00 178.16 177.00 1i1s h ALA 87 N 1.59 0.55 -0.65 1.82 0.00 0.16 0.99 119.26 123.73 1i1s h ALA 87 Ca 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1i1s h ALA 87 Cb 0.74 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1i1s h ALA 87 CO -0.37 -0.08 0.38 -0.56 0.00 0.00 0.00 179.25 178.62 1i1s h GLN 88 N 0.50 0.88 0.00 0.00 3.07 -0.96 -0.88 115.11 117.72 1i1s h GLN 88 Ca 0.18 -0.09 -0.21 0.00 0.09 0.00 0.00 58.65 58.62 1i1s h GLN 88 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 27.38 1i1s h GLN 88 CO -0.09 0.64 -1.34 0.39 0.09 0.00 0.00 178.83 178.52 1i1s n GLU 89 N -4.57 0.54 0.28 0.06 1.02 -1.18 -4.42 120.64 112.38 1i1s n GLU 89 Ca 0.05 0.48 -0.16 0.00 -0.02 0.00 0.00 57.16 57.50 1i1s n GLU 89 Cb 0.06 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.74 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1i1s h ASN 90 N -1.00 -0.84 -5.08 1.62 -1.24 -0.92 -3.46 115.58 104.66 1i1s h ASN 90 Ca -0.32 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1i1s h ASN 90 Cb 1.17 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.48 1i1s h ASN 90 CO -0.19 -0.51 -0.66 0.00 -1.29 0.00 0.00 177.43 174.78 1i1s n ALA 91 N -2.56 -3.21 -1.76 1.57 0.00 -0.33 -4.90 120.51 109.31 1i1s n ALA 91 Ca -0.11 0.84 -0.40 0.00 0.00 0.00 0.00 53.44 53.76 1i1s n ALA 91 Cb 0.36 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 1i1s n ALA 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i1s s PRO 92 N -2.10 4.61 -0.75 0.00 0.04 -1.26 -3.57 135.00 131.98 1i1s s PRO 92 Ca 0.14 1.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 1i1s s PRO 92 Cb -0.04 -3.17 -0.28 0.00 0.04 0.00 0.00 34.50 31.05 1i1s s PRO 92 CO 0.73 0.18 1.95 0.39 0.04 0.00 0.00 177.00 180.29 1i1s n GLU 93 N 1.15 0.08 -0.08 4.56 1.02 -1.26 -4.74 120.64 121.37 1i1s n GLU 93 Ca -0.01 -1.50 -0.09 0.00 -0.02 0.00 0.00 57.16 55.54 1i1s n GLU 93 Cb 0.45 -3.50 -0.05 0.00 -0.02 0.00 0.00 31.44 28.32 1i1s n GLU 93 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1i1s h LEU 94 N 21.18 0.00 -5.75 -4.62 3.38 -1.90 -3.46 115.31 124.14 1i1s h LEU 94 Ca 0.08 -0.20 -0.42 0.00 0.09 0.00 0.00 57.88 57.44 1i1s h LEU 94 Cb 0.91 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.31 1i1s h LEU 94 CO 1.33 0.94 -1.03 -0.11 0.09 0.00 0.00 178.44 179.66 1i1s n LEU 95 N -4.59 0.14 -0.14 1.67 7.94 -1.26 -5.12 117.00 115.64 1i1s n LEU 95 Ca -0.13 -4.68 0.15 0.00 -1.11 0.00 0.00 56.01 50.24 1i1s n LEU 95 Cb 0.36 0.75 0.82 0.00 0.53 0.00 0.00 43.42 45.89 1i1s n LEU 95 CO 0.13 2.22 1.04 0.29 -1.11 0.00 0.00 177.39 179.96