#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s s SER 2 N 0.00 -0.09 0.52 7.83 1.04 -1.26 -4.92 113.70 116.82 1i1s s SER 2 Ca 0.00 0.08 0.25 0.00 0.48 0.00 0.00 55.95 56.76 1i1s s SER 2 Cb 0.00 0.08 1.43 0.00 0.10 0.00 0.00 66.02 67.63 1i1s s SER 2 CO 0.00 -0.10 2.09 0.07 0.98 0.00 0.00 173.24 176.27 1i1s h LYS 3 N 2.10 0.00 -0.92 4.02 2.10 -1.98 -3.32 116.57 118.58 1i1s h LYS 3 Ca -0.09 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1i1s h LYS 3 Cb 1.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 1i1s h LYS 3 CO 0.23 0.11 0.60 -0.39 -2.00 0.00 0.00 179.45 178.01 1i1s h VAL 4 N 0.00 1.15 -0.85 0.07 -1.51 -1.91 0.49 116.25 113.68 1i1s h VAL 4 Ca -0.00 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1i1s h VAL 4 Cb 0.28 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 29.29 1i1s h VAL 4 CO 0.01 0.21 0.55 0.74 -1.23 0.00 0.00 177.57 177.85 1i1s h THR 5 N 1.14 1.12 -0.62 7.19 2.02 -1.86 0.17 112.91 122.07 1i1s h THR 5 Ca 0.37 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1i1s h THR 5 Cb 0.03 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 1i1s h THR 5 CO -0.11 0.19 0.20 1.88 0.37 0.00 0.00 175.52 178.05 1i1s h TYR 6 N 1.05 0.96 -0.34 3.16 0.05 -0.33 0.11 116.97 121.63 1i1s h TYR 6 Ca 0.35 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1i1s h TYR 6 Cb 0.03 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 1i1s h TYR 6 CO -0.02 0.77 0.22 0.82 -1.05 0.00 0.00 178.16 178.89 1i1s h ILE 7 N 0.91 1.10 -0.18 -2.88 1.08 0.18 0.35 117.51 118.07 1i1s h ILE 7 Ca 0.21 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1i1s h ILE 7 Cb 0.25 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 1i1s h ILE 7 CO -0.01 0.09 -0.07 0.40 -0.69 0.00 0.00 178.15 177.88 1i1s h ILE 8 N 0.45 0.77 -0.17 -0.67 2.04 -0.48 0.64 117.51 120.10 1i1s h ILE 8 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1i1s h ILE 8 Cb -0.04 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1i1s h ILE 8 CO -0.03 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.51 1i1s h LYS 9 N -0.04 -0.11 -0.22 2.37 1.63 -0.30 0.48 116.57 120.38 1i1s h LYS 9 Ca 0.09 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1i1s h LYS 9 Cb 0.18 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1i1s h LYS 9 CO -0.21 -0.07 -0.04 0.00 -3.45 0.00 0.00 179.45 175.68 1i1s h ALA 10 N 1.01 0.31 -0.29 5.00 0.00 -0.18 -3.01 119.26 122.10 1i1s h ALA 10 Ca 0.10 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 10 Cb 0.26 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1i1s h ALA 10 CO -0.24 0.07 -0.32 1.03 0.00 0.00 0.00 179.25 179.80 1i1s h SER 11 N 0.16 -1.02 0.00 0.00 0.87 -0.71 -3.46 113.55 109.39 1i1s h SER 11 Ca 0.06 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1i1s h SER 11 Cb 0.48 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1i1s h SER 11 CO 0.02 -0.33 0.00 -0.46 -0.53 0.00 0.00 176.83 175.53 1i1s n ASN 12 N -5.41 0.00 -3.65 6.23 6.94 -0.42 -4.72 115.26 114.23 1i1s n ASN 12 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.27 1i1s n ASN 12 Cb 0.33 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.78 1i1s n ASN 12 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1i1s n ASP 13 N 0.00 -5.48 -0.02 0.53 8.00 0.16 -4.98 116.55 114.75 1i1s n ASP 13 Ca 0.00 -0.93 -0.00 0.00 0.71 0.00 0.00 54.79 54.57 1i1s n ASP 13 Cb 0.00 -3.26 -0.00 0.00 -0.02 0.00 0.00 41.12 37.84 1i1s n ASP 13 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1i1s h VAL 14 N -1.50 0.00 -3.41 2.53 2.07 -1.85 -3.51 116.25 110.59 1i1s h VAL 14 Ca -0.60 -0.43 -0.43 0.00 0.82 0.00 0.00 66.70 66.06 1i1s h VAL 14 Cb 1.33 0.00 0.20 0.00 -1.52 0.00 0.00 31.29 31.30 1i1s h VAL 14 CO 0.45 0.00 0.05 -0.76 0.02 0.00 0.00 177.57 177.33 1i1s s LEU 15 N -6.00 0.64 0.00 2.57 2.01 -1.26 -5.06 118.68 111.57 1i1s s LEU 15 Ca -0.01 1.16 0.00 0.00 0.01 0.00 0.00 54.13 55.29 1i1s s LEU 15 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 46.19 43.17 1i1s s LEU 15 CO 0.02 -4.13 0.00 0.59 1.01 0.00 0.00 176.35 173.84 1i1s n ASN 16 N -4.83 0.00 0.22 2.29 4.13 -1.26 -4.84 115.26 110.96 1i1s n ASN 16 Ca 0.06 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.17 1i1s n ASN 16 Cb 0.57 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.73 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1i1s h GLU 17 N 0.00 -0.71 -0.05 3.52 3.07 -1.98 -3.22 114.58 115.22 1i1s h GLU 17 Ca 0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1i1s h GLU 17 Cb 0.00 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1i1s h GLU 17 CO 0.00 -0.48 0.01 0.87 -1.40 0.00 0.00 179.01 178.02 1i1s h LYS 18 N -0.74 0.07 -0.24 2.33 1.57 -1.96 0.13 116.57 117.72 1i1s h LYS 18 Ca -0.02 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1i1s h LYS 18 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1i1s h LYS 18 CO -0.07 0.26 -0.16 1.79 -0.57 0.00 0.00 179.45 180.70 1i1s h THR 19 N -0.13 1.23 -0.33 -0.16 1.35 -1.90 -1.56 112.91 111.40 1i1s h THR 19 Ca 0.01 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 1i1s h THR 19 Cb 0.22 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1i1s h THR 19 CO -0.00 0.33 0.18 0.00 -0.25 0.00 0.00 175.52 175.78 1i1s h ALA 20 N 1.45 0.43 -0.44 6.62 0.00 -1.13 0.22 119.26 126.42 1i1s h ALA 20 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 20 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1i1s h ALA 20 CO 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.08 1i1s h THR 21 N 0.42 1.27 0.06 0.00 1.03 -0.71 -2.15 112.91 112.83 1i1s h THR 21 Ca 0.12 -1.26 -0.00 0.00 -0.01 0.00 0.00 66.41 65.26 1i1s h THR 21 Cb 0.06 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1i1s h THR 21 CO -0.02 0.43 -0.03 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.74 1.22 -0.99 0.00 1.08 -1.06 -0.84 117.51 117.66 1i1s h ILE 22 Ca 0.11 -1.03 0.19 0.00 -0.39 0.00 0.00 64.86 63.74 1i1s h ILE 22 Cb 0.67 1.88 -0.10 0.00 -3.07 0.00 0.00 36.82 36.20 1i1s h ILE 22 CO 0.05 0.25 0.61 0.25 -0.69 0.00 0.00 178.15 178.63 1i1s h LEU 23 N -0.55 0.74 -0.11 1.44 5.85 -0.63 -0.84 115.31 121.21 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 0.48 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1i1s h LEU 23 CO 0.01 0.28 0.07 0.40 -0.34 0.00 0.00 178.44 178.86 1i1s h ILE 24 N 0.73 1.08 -0.28 4.05 1.08 -1.11 0.44 117.51 123.49 1i1s h ILE 24 Ca 0.56 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.82 1i1s h ILE 24 Cb 0.91 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1i1s h ILE 24 CO -0.34 0.07 0.17 0.74 -0.69 0.00 0.00 178.15 178.10 1i1s h THR 25 N 0.10 1.10 -0.06 -0.27 2.02 0.22 0.22 112.91 116.24 1i1s h THR 25 Ca 0.04 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 25 Cb 0.05 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1i1s h THR 25 CO -0.01 0.10 -0.03 0.40 0.37 0.00 0.00 175.52 176.35 1i1s h ILE 26 N 0.36 0.89 -0.54 3.11 2.04 -1.36 -2.96 117.51 119.06 1i1s h ILE 26 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.06 1i1s h ILE 26 Cb 0.01 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1i1s h ILE 26 CO -0.02 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.24 1i1s h ALA 27 N 1.03 0.61 0.25 1.87 0.00 0.17 0.13 119.26 123.32 1i1s h ALA 27 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1i1s h ALA 27 Cb 0.08 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1i1s h ALA 27 CO -0.08 -0.31 -0.41 -0.22 0.00 0.00 0.00 179.25 178.23 1i1s h LYS 28 N 0.24 -0.70 -5.32 0.00 3.11 -0.74 -3.43 116.57 109.72 1i1s h LYS 28 Ca 0.27 0.05 -0.62 0.00 -2.81 0.00 0.00 60.65 57.54 1i1s h LYS 28 Cb 0.39 0.16 -0.13 0.00 -1.00 0.00 0.00 32.23 31.64 1i1s h LYS 28 CO -0.36 -0.47 -0.07 0.21 -2.81 0.00 0.00 179.45 175.95 1i1s s LYS 29 N -5.94 4.06 -0.47 1.90 2.20 0.44 -5.01 119.74 116.92 1i1s s LYS 29 Ca -0.17 0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.51 1i1s s LYS 29 Cb 0.06 -3.65 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1i1s s LYS 29 CO 0.63 -0.32 0.62 -0.51 -0.36 0.00 0.00 175.35 175.41 1i1s s ASP 30 N 1.54 6.26 -0.92 1.43 1.01 -1.26 -2.90 116.67 121.83 1i1s s ASP 30 Ca 0.20 -0.66 -0.05 0.00 0.71 0.00 0.00 52.55 52.75 1i1s s ASP 30 Cb -0.16 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 1i1s s ASP 30 CO 0.09 -0.83 0.80 0.49 0.21 0.00 0.00 175.17 175.93 1i1s n PHE 31 N 6.20 -2.10 0.00 4.23 3.72 -1.25 -5.04 117.46 123.23 1i1s n PHE 31 Ca -0.05 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.10 1i1s n PHE 31 Cb 0.47 -3.98 0.00 0.00 -0.94 0.00 0.00 39.48 35.03 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 -3.06 0.00 -4.01 4.37 3.06 -1.14 -4.88 119.36 113.69 1i1s n ILE 32 Ca -0.08 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.07 1i1s n ILE 32 Cb 0.61 0.00 -0.03 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 -0.77 0.00 -0.25 9.51 -2.24 -1.26 -3.68 114.28 115.59 1i1s n THR 33 Ca 0.00 -1.18 0.02 0.00 -2.27 0.00 0.00 64.05 60.62 1i1s n THR 33 Cb 0.00 0.64 0.14 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.67 0.99 -0.25 6.98 0.00 -1.94 -2.00 119.26 124.71 1i1s h ALA 34 Ca -0.14 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1i1s h ALA 34 Cb 0.66 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1i1s h ALA 34 CO 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 1i1s h ALA 35 N 1.44 0.16 -0.70 0.00 0.00 -1.96 0.74 119.26 118.94 1i1s h ALA 35 Ca 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1i1s h ALA 35 Cb 0.39 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1i1s h ALA 35 CO -0.28 -0.47 0.36 1.49 0.00 0.00 0.00 179.25 180.35 1i1s h GLU 36 N -0.01 0.99 -0.91 0.00 4.81 -1.90 -0.89 114.58 116.67 1i1s h GLU 36 Ca 0.12 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1i1s h GLU 36 Cb 0.19 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1i1s h GLU 36 CO -0.26 0.76 0.60 0.28 -0.73 0.00 0.00 179.01 179.67 1i1s h VAL 37 N 0.97 1.22 -0.68 0.32 2.07 -0.53 0.54 116.25 120.15 1i1s h VAL 37 Ca 0.24 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1i1s h VAL 37 Cb 0.08 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.66 1i1s h VAL 37 CO -0.03 0.22 0.27 0.03 0.02 0.00 0.00 177.57 178.08 1i1s h ARG 38 N 1.22 0.43 -0.27 1.57 3.08 -0.65 -2.87 114.38 116.89 1i1s h ARG 38 Ca 0.34 -0.03 -0.16 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 0.29 -0.47 0.93 -1.07 0.00 0.00 179.97 179.56 1i1s h GLU 39 N 0.44 0.80 -0.00 0.04 4.39 0.12 -3.25 114.58 117.12 1i1s h GLU 39 Ca 0.36 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i1s h GLU 39 Cb 0.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1i1s h GLU 39 CO -0.35 1.12 -0.31 1.55 -1.16 0.00 0.00 179.01 179.87 1i1s n VAL 40 N -4.10 0.00 -2.03 3.13 3.14 0.14 -4.64 118.33 113.97 1i1s n VAL 40 Ca -0.05 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 1i1s n VAL 40 Cb 0.58 -0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.33 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 -2.94 2.49 0.01 1.45 -3.43 -1.09 -4.83 115.29 106.96 1i1s s HIS 41 Ca 0.14 0.45 -0.18 0.00 -0.80 0.00 0.00 55.06 54.67 1i1s s HIS 41 Cb 0.18 -3.87 -0.10 0.00 -1.43 0.00 0.00 32.58 27.37 1i1s s HIS 41 CO 0.62 -3.43 1.02 -1.00 -2.00 0.00 0.00 174.74 169.95 1i1s h PRO 42 N 8.34 -0.61 -0.87 -0.38 0.13 -1.89 -3.46 132.00 133.26 1i1s h PRO 42 Ca -0.41 0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.29 1i1s h PRO 42 Cb 1.19 0.14 -0.42 0.00 0.13 0.00 0.00 31.00 32.04 1i1s h PRO 42 CO 0.92 -0.41 -0.90 -0.40 -0.23 0.00 0.00 178.00 176.99 1i1s n ASP 43 N -4.11 3.83 -0.01 1.44 5.75 -1.26 -4.54 116.55 117.64 1i1s n ASP 43 Ca -0.08 -3.27 -0.01 0.00 -0.01 0.00 0.00 54.79 51.42 1i1s n ASP 43 Cb 0.25 -0.41 -0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1i1s n ASP 43 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i1s n LEU 44 N -0.58 0.26 0.00 -2.12 4.32 -1.26 -5.11 117.00 112.52 1i1s n LEU 44 Ca 0.32 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1i1s n LEU 44 Cb 0.85 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1i1s n LEU 44 CO 0.30 -0.47 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 1i1s n GLY 45 N 1.53 4.13 0.08 -0.72 0.00 -1.26 -4.78 105.19 104.17 1i1s n GLY 45 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.12 -0.29 1.61 7.08 -1.94 0.45 115.58 122.36 1i1s h ASN 46 Ca 0.00 0.04 -0.02 0.00 -3.08 0.00 0.00 56.30 53.24 1i1s h ASN 46 Cb 0.00 0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.30 1i1s h ASN 46 CO 0.00 -0.04 0.10 0.00 -2.08 0.00 0.00 177.43 175.41 1i1s h ALA 47 N 1.11 0.38 -0.72 4.14 0.00 -2.01 -2.67 119.26 119.49 1i1s h ALA 47 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1i1s h ALA 47 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1i1s h ALA 47 CO -0.12 0.00 0.23 -0.39 0.00 0.00 0.00 179.25 178.97 1i1s h VAL 48 N 0.32 1.26 -0.80 0.00 -1.51 -1.80 -2.91 116.25 110.81 1i1s h VAL 48 Ca 0.10 -0.90 0.03 0.00 -1.23 0.00 0.00 66.70 64.70 1i1s h VAL 48 Cb 0.22 0.48 -0.05 0.00 -2.13 0.00 0.00 31.29 29.82 1i1s h VAL 48 CO -0.00 0.35 0.52 0.58 -1.23 0.00 0.00 177.57 177.78 1i1s h VAL 49 N 1.06 1.14 -0.51 7.19 2.07 0.10 0.57 116.25 127.87 1i1s h VAL 49 Ca 0.23 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1i1s h VAL 49 Cb 0.30 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1i1s h VAL 49 CO -0.01 0.19 0.13 -1.13 0.02 0.00 0.00 177.57 176.77 1i1s h ASN 50 N 1.02 0.06 -0.57 0.57 -0.73 -1.43 -2.03 115.58 112.47 1i1s h ASN 50 Ca 0.31 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.54 1i1s h ASN 50 Cb -0.02 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1i1s h ASN 50 CO -0.10 0.06 0.24 -1.28 -0.37 0.00 0.00 177.43 175.98 1i1s h SER 51 N 0.28 0.77 -0.36 1.15 0.87 -0.39 -2.76 113.55 113.11 1i1s h SER 51 Ca 0.26 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 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 -0.16 0.78 -0.53 0.00 0.00 176.83 177.32 1i1s h ASN 52 N 0.77 0.76 -0.06 6.23 2.35 0.33 0.43 115.58 126.39 1i1s h ASN 52 Ca 0.19 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1i1s h ASN 52 Cb 0.17 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1i1s h ASN 52 CO -0.02 0.99 0.01 0.40 -1.65 0.00 0.00 177.43 177.16 1i1s h ILE 53 N 0.53 1.22 -0.77 2.81 2.04 -1.46 -2.21 117.51 119.67 1i1s h ILE 53 Ca 0.08 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1i1s h ILE 53 Cb 0.69 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1i1s h ILE 53 CO 0.05 0.19 0.49 1.23 0.00 0.00 0.00 178.15 180.11 1i1s h GLY 54 N -0.15 1.11 1.48 5.37 0.00 -1.34 -0.18 103.07 109.36 1i1s h GLY 54 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1i1s h GLY 54 CO 0.00 0.32 -0.29 -0.24 0.00 0.00 0.00 176.54 176.34 1i1s h VAL 55 N 0.96 1.28 -0.44 4.60 3.04 -0.11 0.61 116.25 126.18 1i1s h VAL 55 Ca 0.30 -1.38 0.07 0.00 -1.01 0.00 0.00 66.70 64.68 1i1s h VAL 55 Cb -0.00 1.37 -0.06 0.00 -2.01 0.00 0.00 31.29 30.59 1i1s h VAL 55 CO -0.10 0.44 0.11 -0.07 -1.01 0.00 0.00 177.57 176.94 1i1s h LEU 56 N 0.51 0.05 -0.68 3.16 4.07 -1.22 -2.62 115.31 118.58 1i1s h LEU 56 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1i1s h LEU 56 Cb 0.76 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1i1s h LEU 56 CO 0.06 0.06 0.35 0.40 -1.08 0.00 0.00 178.44 178.24 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.12 0.68 117.51 122.08 1i1s h ILE 57 Ca 0.22 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 57 Cb 0.26 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1i1s h ILE 57 CO -0.26 0.25 -0.20 0.07 -0.69 0.00 0.00 178.15 177.32 1i1s h LYS 58 N 0.94 0.00 -0.00 2.37 5.09 0.08 -1.72 116.57 123.33 1i1s h LYS 58 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.40 1i1s h LYS 58 CO -0.03 0.20 -0.01 0.87 -2.09 0.00 0.00 179.45 178.38 1i1s h LYS 59 N 0.00 0.01 -3.92 0.07 1.57 -1.07 -3.49 116.57 109.74 1i1s h LYS 59 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1i1s h LYS 59 Cb 0.71 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 1i1s h LYS 59 CO 0.03 0.69 -0.74 0.41 -0.57 0.00 0.00 179.45 179.27 1i1s n GLY 60 N 0.76 -4.03 3.15 3.86 0.00 0.68 -5.06 105.19 104.55 1i1s n GLY 60 Ca -0.09 0.63 0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.33 -1.57 -0.00 0.99 2.34 0.20 -4.94 118.68 115.37 1i1s s LEU 61 Ca -0.13 -0.07 -0.12 0.00 0.06 0.00 0.00 54.13 53.87 1i1s s LEU 61 Cb 0.01 1.97 0.01 0.00 -0.56 0.00 0.00 46.19 47.63 1i1s s LEU 61 CO 0.37 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.18 1i1s s VAL 62 N 2.59 0.07 -0.20 1.48 0.11 -1.18 -4.62 120.40 118.65 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 -0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1i1s s VAL 62 CO -0.22 -0.32 0.07 -1.61 -3.33 0.00 0.00 175.10 169.69 1i1s s GLU 63 N -1.48 3.92 -0.27 1.54 2.02 0.14 -4.16 118.70 120.41 1i1s s GLU 63 Ca -0.13 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.21 1i1s s GLU 63 Cb -0.06 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.93 1i1s s GLU 63 CO 0.03 0.17 1.01 0.21 0.02 0.00 0.00 175.26 176.70 1i1s s LYS 64 N 0.65 4.17 -0.34 1.61 2.36 -1.26 -0.34 119.74 126.58 1i1s s LYS 64 Ca 0.03 1.17 -0.03 0.00 -2.55 0.00 0.00 55.97 54.60 1i1s s LYS 64 Cb -0.13 -3.68 0.07 0.00 -1.05 0.00 0.00 37.83 33.04 1i1s s LYS 64 CO 0.02 -0.71 0.08 0.45 1.55 0.00 0.00 175.35 176.74 1i1s s SER 65 N 1.39 5.08 -0.70 1.43 0.15 0.10 -4.94 113.70 116.20 1i1s s SER 65 Ca 0.43 -1.50 -0.20 0.00 0.70 0.00 0.00 55.95 55.38 1i1s s SER 65 Cb -0.14 -1.77 0.10 0.00 -1.71 0.00 0.00 66.02 62.50 1i1s s SER 65 CO 0.10 -0.36 0.90 -0.83 1.20 0.00 0.00 173.24 174.24 1i1s s GLY 66 N 1.46 1.71 -0.23 9.45 0.00 -1.26 0.34 107.32 118.79 1i1s s GLY 66 Ca -0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 44.72 42.42 1i1s s GLY 66 CO -0.02 1.83 -0.10 2.09 0.00 0.00 0.00 173.10 176.91 1i1s n ASP 67 N 6.75 2.00 -4.62 1.64 5.75 -1.26 -5.16 116.55 121.66 1i1s n ASP 67 Ca 0.01 0.02 -0.23 0.00 -0.01 0.00 0.00 54.79 54.58 1i1s n ASP 67 Cb 0.45 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.88 1i1s n ASP 67 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1i1s s GLY 68 N -6.12 1.74 -0.10 6.12 0.00 0.15 -4.78 107.32 104.34 1i1s s GLY 68 Ca -0.33 -1.72 -0.11 0.00 0.00 0.00 0.00 44.72 42.56 1i1s s GLY 68 CO 0.62 -1.78 0.26 1.08 0.00 0.00 0.00 173.10 173.29 1i1s s LEU 69 N -3.66 4.37 -0.04 0.66 1.43 -1.24 0.01 118.68 120.21 1i1s s LEU 69 Ca 0.32 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.82 1i1s s LEU 69 Cb -0.05 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 43.89 1i1s s LEU 69 CO 0.19 0.28 0.47 0.27 0.23 0.00 0.00 176.35 177.80 1i1s s ILE 70 N -0.55 0.03 0.17 -0.59 -4.36 0.53 -3.79 121.20 112.65 1i1s s ILE 70 Ca 0.18 -0.26 -0.04 0.00 -0.26 0.00 0.00 60.65 60.27 1i1s s ILE 70 Cb -0.14 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.74 1i1s s ILE 70 CO 0.07 -0.14 0.41 0.27 0.24 0.00 0.00 174.94 175.78 1i1s s ILE 71 N -1.19 5.14 0.98 8.37 -4.36 -1.26 0.27 121.20 129.14 1i1s s ILE 71 Ca -0.12 0.01 -0.16 0.00 -0.26 0.00 0.00 60.65 60.12 1i1s s ILE 71 Cb -0.03 -3.65 0.19 0.00 1.25 0.00 0.00 42.46 40.22 1i1s s ILE 71 CO 0.06 -0.04 1.25 0.42 0.24 0.00 0.00 174.94 176.88 1i1s s THR 72 N -1.75 1.94 0.52 8.37 -4.23 -1.26 -4.75 115.64 114.48 1i1s s THR 72 Ca 0.41 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.13 1i1s s THR 72 Cb -0.12 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.16 1i1s s THR 72 CO 0.26 0.00 2.06 1.23 -0.54 0.00 0.00 174.62 177.63 1i1s h GLY 73 N -1.70 0.04 0.69 3.99 0.00 -1.99 -2.10 103.07 102.00 1i1s h GLY 73 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1i1s h GLY 73 CO 0.43 0.01 -0.13 0.83 0.00 0.00 0.00 176.54 177.67 1i1s h GLU 74 N 0.03 -0.23 -0.43 4.80 5.08 -1.96 -1.85 114.58 120.02 1i1s h GLU 74 Ca 0.14 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1i1s h GLU 74 Cb 0.54 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1i1s h GLU 74 CO -0.01 -0.15 0.20 0.00 -1.00 0.00 0.00 179.01 178.05 1i1s h ALA 75 N 0.70 0.53 -0.83 3.43 0.00 -1.80 -2.77 119.26 118.52 1i1s h ALA 75 Ca 0.04 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1i1s h ALA 75 Cb 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 75 CO -0.12 -0.16 0.54 1.96 0.00 0.00 0.00 179.25 181.47 1i1s h GLN 76 N 0.41 0.56 -0.26 0.00 4.20 -0.69 0.59 115.11 119.93 1i1s h GLN 76 Ca 0.19 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1i1s h GLN 76 Cb 0.11 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1i1s h GLN 76 CO -0.15 0.37 -0.06 0.22 -0.67 0.00 0.00 178.83 178.54 1i1s h ASP 77 N 0.58 0.50 -0.23 1.46 1.82 -1.20 -2.75 116.42 116.60 1i1s h ASP 77 Ca 0.41 -0.37 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1i1s h ASP 77 Cb 0.75 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1i1s h ASP 77 CO -0.16 0.75 0.10 0.40 -1.61 0.00 0.00 179.24 178.72 1i1s h ILE 78 N 0.25 1.16 -0.35 2.25 1.08 0.24 -2.60 117.51 119.53 1i1s h ILE 78 Ca 0.07 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 1i1s h ILE 78 Cb 0.53 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1i1s h ILE 78 CO 0.03 0.16 0.12 0.40 -0.69 0.00 0.00 178.15 178.17 1i1s h ILE 79 N 0.23 1.20 -0.33 -0.67 1.08 -0.47 0.32 117.51 118.86 1i1s h ILE 79 Ca 0.08 -0.66 0.02 0.00 -0.39 0.00 0.00 64.86 63.91 1i1s h ILE 79 Cb 0.16 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1i1s h ILE 79 CO -0.01 0.23 0.18 0.28 -0.69 0.00 0.00 178.15 178.14 1i1s h SER 80 N 0.42 0.28 -0.16 1.72 0.02 -1.44 0.38 113.55 114.77 1i1s h SER 80 Ca 0.11 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1i1s h SER 80 Cb 0.24 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1i1s h SER 80 CO -0.01 0.21 -0.18 -1.13 -1.14 0.00 0.00 176.83 174.58 1i1s h ASN 81 N 0.37 0.44 -0.14 3.07 -0.73 -1.34 -2.92 115.58 114.33 1i1s h ASN 81 Ca 0.14 -0.49 -0.02 0.00 1.87 0.00 0.00 56.30 57.79 1i1s h ASN 81 Cb 0.02 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1i1s h ASN 81 CO -0.08 0.85 -0.00 0.00 -0.37 0.00 0.00 177.43 177.83 1i1s h ALA 82 N 0.61 0.20 -0.94 1.57 0.00 -0.19 -0.66 119.26 119.85 1i1s h ALA 82 Ca 0.02 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1i1s h ALA 82 Cb 0.73 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1i1s h ALA 82 CO 0.04 -0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.80 1i1s h ALA 83 N 0.75 1.64 -0.81 0.00 0.00 -0.35 0.54 119.26 121.04 1i1s h ALA 83 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.01 0.13 0.45 1.15 0.00 0.00 0.00 179.25 180.99 1i1s h THR 84 N 0.88 1.24 -0.70 0.00 2.02 -1.27 0.43 112.91 115.50 1i1s h THR 84 Ca 0.46 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1i1s h THR 84 Cb 0.52 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1i1s h THR 84 CO -0.22 0.27 0.46 -0.07 0.37 0.00 0.00 175.52 176.32 1i1s h LEU 85 N 1.12 0.81 -0.25 2.58 3.38 0.15 0.27 115.31 123.37 1i1s h LEU 85 Ca 0.29 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1i1s h LEU 85 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1i1s h LEU 85 CO -0.05 0.59 -0.07 0.10 0.09 0.00 0.00 178.44 179.11 1i1s h TYR 86 N 0.95 -0.16 -0.62 1.13 -0.00 -0.35 -3.22 116.97 114.70 1i1s h TYR 86 Ca 0.25 0.02 0.18 0.00 0.00 0.00 0.00 58.73 59.18 1i1s h TYR 86 Cb -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 36.73 36.72 1i1s h TYR 86 CO -0.02 -0.12 0.44 0.00 -0.00 0.00 0.00 178.16 178.46 1i1s h ALA 87 N 1.24 2.55 -0.43 0.10 0.00 0.20 0.45 119.26 123.37 1i1s h ALA 87 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 87 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i1s h ALA 87 CO -0.27 -0.73 0.02 -0.56 0.00 0.00 0.00 179.25 177.71 1i1s h GLN 88 N 0.02 0.75 0.00 0.00 3.07 -1.43 -3.41 115.11 114.12 1i1s h GLN 88 Ca 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 58.65 58.76 1i1s h GLN 88 Cb 1.15 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.63 1i1s h GLN 88 CO -0.01 0.81 -0.64 0.39 0.09 0.00 0.00 178.83 179.48 1i1s n GLU 89 N -4.42 0.16 0.49 0.06 -0.58 0.13 -4.80 120.64 111.68 1i1s n GLU 89 Ca -0.00 0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.61 1i1s n GLU 89 Cb 0.28 -0.78 -0.09 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.29 -1.05 -5.50 1.62 -1.24 -1.00 -3.34 115.58 104.77 1i1s h ASN 90 Ca -0.06 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 56.92 1i1s h ASN 90 Cb 0.55 0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.88 1i1s h ASN 90 CO -0.04 -0.73 -0.73 0.00 -1.29 0.00 0.00 177.43 174.64 1i1s n ALA 91 N -2.66 -2.95 -1.70 1.57 0.00 -1.22 -4.43 120.51 109.13 1i1s n ALA 91 Ca -0.15 0.87 -0.31 0.00 0.00 0.00 0.00 53.44 53.84 1i1s n ALA 91 Cb 0.49 -2.88 0.02 0.00 0.00 0.00 0.00 19.45 17.08 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 -2.32 3.31 -0.90 0.00 0.04 -1.26 -3.01 135.00 130.85 1i1s s PRO 92 Ca 0.21 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 1i1s s PRO 92 Cb -0.05 -2.04 -0.24 0.00 0.04 0.00 0.00 34.50 32.21 1i1s s PRO 92 CO 0.75 -0.80 1.98 -1.91 0.04 0.00 0.00 177.00 177.06 1i1s n GLU 93 N -2.60 0.07 -0.13 4.56 2.13 -1.26 -4.75 120.64 118.66 1i1s n GLU 93 Ca 0.07 -1.52 -0.26 0.00 0.66 0.00 0.00 57.16 56.11 1i1s n GLU 93 Cb 0.54 -3.61 -0.11 0.00 0.27 0.00 0.00 31.44 28.53 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1i1s n LEU 94 N 17.92 2.24 0.00 4.31 4.77 -1.16 -5.01 117.00 140.06 1i1s n LEU 94 Ca 0.39 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1i1s n LEU 94 Cb 0.47 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1i1s n LEU 94 CO 0.64 0.67 0.00 -0.11 -1.33 0.00 0.00 177.39 177.26 1i1s n LEU 95 N -3.98 0.00 0.00 2.23 -0.00 -1.26 -5.14 117.00 108.85 1i1s n LEU 95 Ca -0.51 1.50 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 1i1s n LEU 95 Cb 0.91 1.50 0.00 0.00 -0.00 0.00 0.00 43.42 45.83 1i1s n LEU 95 CO 0.11 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.79