#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 -0.08 0.52 6.12 0.15 -1.26 -5.08 113.70 114.07 1i1s s SER 2 Ca 0.00 0.01 0.26 0.00 0.70 0.00 0.00 55.95 56.92 1i1s s SER 2 Cb 0.00 0.08 1.42 0.00 -1.71 0.00 0.00 66.02 65.81 1i1s s SER 2 CO 0.00 -0.13 2.08 0.07 1.20 0.00 0.00 173.24 176.46 1i1s h LYS 3 N 2.01 0.00 -0.92 5.44 2.10 -1.98 -3.32 116.57 119.90 1i1s h LYS 3 Ca -0.06 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.63 1i1s h LYS 3 Cb 1.15 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.43 1i1s h LYS 3 CO 0.21 0.12 0.60 -0.39 -2.00 0.00 0.00 179.45 177.99 1i1s h VAL 4 N 0.00 1.16 -0.88 0.07 -1.51 -1.92 0.46 116.25 113.62 1i1s h VAL 4 Ca -0.00 -0.39 0.03 0.00 -1.23 0.00 0.00 66.70 65.11 1i1s h VAL 4 Cb 0.29 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 29.31 1i1s h VAL 4 CO 0.02 0.21 0.58 0.00 -1.23 0.00 0.00 177.57 177.14 1i1s h THR 5 N 1.15 1.16 -0.75 7.19 1.03 -1.87 0.36 112.91 121.18 1i1s h THR 5 Ca 0.36 -0.38 -0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1i1s h THR 5 Cb 0.02 -0.05 -0.04 0.00 -1.07 0.00 0.00 68.15 67.01 1i1s h THR 5 CO -0.11 0.20 0.45 1.88 -0.01 0.00 0.00 175.52 177.94 1i1s h TYR 6 N 1.11 0.98 -0.60 0.00 0.05 -0.40 0.85 116.97 118.96 1i1s h TYR 6 Ca 0.35 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.15 1i1s h TYR 6 Cb 0.00 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.38 1i1s h TYR 6 CO -0.00 0.65 0.37 0.82 -1.05 0.00 0.00 178.16 178.95 1i1s h ILE 7 N 1.03 1.08 -0.20 -2.88 1.08 0.84 0.47 117.51 118.93 1i1s h ILE 7 Ca 0.27 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1i1s h ILE 7 Cb -0.05 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 33.95 1i1s h ILE 7 CO -0.05 0.13 -0.05 0.40 -0.69 0.00 0.00 178.15 177.89 1i1s h ILE 8 N 0.73 0.79 -0.16 -0.67 2.04 -0.22 0.07 117.51 120.10 1i1s h ILE 8 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1i1s h ILE 8 Cb 0.01 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1i1s h ILE 8 CO -0.09 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.44 1i1s h LYS 9 N -0.01 -0.12 -0.19 2.37 1.63 -0.16 0.40 116.57 120.48 1i1s h LYS 9 Ca 0.10 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1i1s h LYS 9 Cb 0.15 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1i1s h LYS 9 CO -0.21 -0.08 -0.08 0.00 -3.45 0.00 0.00 179.45 175.64 1i1s h ALA 10 N 0.99 0.27 -0.42 5.00 0.00 0.11 -2.96 119.26 122.24 1i1s h ALA 10 Ca 0.10 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1i1s h ALA 10 Cb 0.27 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1i1s h ALA 10 CO -0.23 0.08 -0.34 1.03 0.00 0.00 0.00 179.25 179.79 1i1s h SER 11 N 0.10 -1.13 0.00 0.00 0.87 -0.94 -3.45 113.55 108.99 1i1s h SER 11 Ca 0.05 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1i1s h SER 11 Cb 0.55 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1i1s h SER 11 CO 0.03 -0.32 0.00 -3.20 -0.53 0.00 0.00 176.83 172.80 1i1s n ASN 12 N -5.42 0.00 -2.84 6.23 4.05 -0.85 -4.72 115.26 111.71 1i1s n ASN 12 Ca 0.01 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.02 1i1s n ASN 12 Cb 0.34 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.36 1i1s n ASN 12 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1i1s n ASP 13 N -0.00 -6.70 -0.02 1.20 2.03 0.13 -4.94 116.55 108.26 1i1s n ASP 13 Ca 0.00 -0.15 -0.02 0.00 0.52 0.00 0.00 54.79 55.14 1i1s n ASP 13 Cb 0.00 -4.59 -0.01 0.00 -0.72 0.00 0.00 41.12 35.80 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 -1.88 0.43 -0.41 5.18 0.31 -1.24 -5.08 118.33 115.64 1i1s n VAL 14 Ca -0.01 0.32 -0.29 0.00 -0.01 0.00 0.00 64.34 64.35 1i1s n VAL 14 Cb 0.52 -1.61 0.28 0.00 -0.91 0.00 0.00 33.84 32.12 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 -5.80 -0.26 0.00 7.52 2.01 -1.26 -5.05 118.68 115.84 1i1s s LEU 15 Ca -0.06 1.21 0.00 0.00 0.01 0.00 0.00 54.13 55.28 1i1s s LEU 15 Cb 0.01 -2.85 0.00 0.00 0.01 0.00 0.00 46.19 43.36 1i1s s LEU 15 CO 0.10 -4.89 0.00 -3.20 1.01 0.00 0.00 176.35 169.36 1i1s n ASN 16 N -5.35 0.20 0.31 2.29 5.15 -1.26 -4.82 115.26 111.77 1i1s n ASN 16 Ca 0.07 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.88 1i1s n ASN 16 Cb 0.57 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.73 1i1s n ASN 16 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1i1s h GLU 17 N 0.00 -0.76 -0.04 1.20 5.08 -1.97 -3.04 114.58 115.05 1i1s h GLU 17 Ca 0.00 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1i1s h GLU 17 Cb 0.00 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1i1s h GLU 17 CO 0.00 -0.50 0.01 0.87 -1.00 0.00 0.00 179.01 178.39 1i1s h LYS 18 N -0.78 0.07 -0.33 2.33 1.57 -1.97 0.16 116.57 117.61 1i1s h LYS 18 Ca -0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1i1s h LYS 18 Cb 0.62 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1i1s h LYS 18 CO 0.10 0.26 -0.02 1.79 -0.57 0.00 0.00 179.45 181.02 1i1s h THR 19 N -0.13 1.20 -0.34 -0.16 1.35 -1.90 0.58 112.91 113.51 1i1s h THR 19 Ca 0.01 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1i1s h THR 19 Cb 0.22 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1i1s h THR 19 CO -0.00 0.27 0.18 0.00 -0.25 0.00 0.00 175.52 175.73 1i1s h ALA 20 N 1.49 0.43 -0.44 6.62 0.00 -1.23 0.14 119.26 126.27 1i1s h ALA 20 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 20 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i1s h ALA 20 CO 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 1i1s h THR 21 N 0.42 1.26 0.06 0.00 1.03 -0.33 -2.15 112.91 113.19 1i1s h THR 21 Ca 0.12 -1.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.28 1i1s h THR 21 Cb 0.07 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 1i1s h THR 21 CO -0.02 0.42 -0.03 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.74 1.23 -0.94 0.00 1.08 -0.75 -1.02 117.51 117.85 1i1s h ILE 22 Ca 0.12 -1.04 0.21 0.00 -0.39 0.00 0.00 64.86 63.75 1i1s h ILE 22 Cb 0.65 1.91 -0.08 0.00 -3.07 0.00 0.00 36.82 36.23 1i1s h ILE 22 CO 0.05 0.26 0.61 0.25 -0.69 0.00 0.00 178.15 178.62 1i1s h LEU 23 N -0.54 0.49 -0.22 1.44 5.85 -0.79 -1.55 115.31 119.99 1i1s h LEU 23 Ca -0.01 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1i1s h LEU 23 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1i1s h LEU 23 CO 0.01 0.18 0.02 0.40 -0.34 0.00 0.00 178.44 178.71 1i1s h ILE 24 N 0.48 1.24 -0.14 4.05 1.08 -1.00 0.43 117.51 123.65 1i1s h ILE 24 Ca 0.50 -0.81 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1i1s h ILE 24 Cb 1.15 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 1i1s h ILE 24 CO -0.23 0.25 0.05 0.74 -0.69 0.00 0.00 178.15 178.27 1i1s h THR 25 N 0.15 0.97 -0.05 -0.27 2.02 -0.22 0.76 112.91 116.27 1i1s h THR 25 Ca 0.06 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1i1s h THR 25 Cb 0.36 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1i1s h THR 25 CO 0.01 0.02 -0.02 0.40 0.37 0.00 0.00 175.52 176.30 1i1s h ILE 26 N 0.12 0.92 -0.56 3.11 2.04 -1.45 -3.17 117.51 118.52 1i1s h ILE 26 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1i1s h ILE 26 Cb 0.03 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1i1s h ILE 26 CO -0.06 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.21 1i1s h ALA 27 N 1.03 0.65 0.00 1.87 0.00 0.95 -0.32 119.26 123.44 1i1s h ALA 27 Ca 0.03 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1i1s h ALA 27 Cb 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1i1s h ALA 27 CO -0.06 -0.29 -0.26 0.87 0.00 0.00 0.00 179.25 179.50 1i1s h LYS 28 N 0.26 -0.39 -5.38 0.00 1.79 -0.96 -3.43 116.57 108.45 1i1s h LYS 28 Ca 0.29 0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 58.18 1i1s h LYS 28 Cb 0.40 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 31.03 1i1s h LYS 28 CO -0.36 -0.26 -0.33 0.21 -1.08 0.00 0.00 179.45 177.63 1i1s s LYS 29 N -6.06 4.20 -0.34 3.15 2.20 -0.13 -5.04 119.74 117.72 1i1s s LYS 29 Ca -0.15 0.05 -0.18 0.00 -0.36 0.00 0.00 55.97 55.33 1i1s s LYS 29 Cb 0.09 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1i1s s LYS 29 CO 0.66 0.12 0.50 -0.51 -0.36 0.00 0.00 175.35 175.76 1i1s s ASP 30 N 0.76 6.31 -1.11 1.43 1.01 -1.26 -3.43 116.67 120.38 1i1s s ASP 30 Ca 0.15 -0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.30 1i1s s ASP 30 Cb -0.13 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1i1s s ASP 30 CO 0.05 -0.45 0.86 0.49 0.21 0.00 0.00 175.17 176.33 1i1s n PHE 31 N 5.69 -2.20 0.00 4.23 3.01 -1.26 -5.07 117.46 121.86 1i1s n PHE 31 Ca -0.05 0.71 0.00 0.00 1.01 0.00 0.00 57.45 59.12 1i1s n PHE 31 Cb 0.49 -3.93 0.00 0.00 -0.01 0.00 0.00 39.48 36.03 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 -3.71 0.00 -4.20 4.37 3.06 -1.22 -4.89 119.36 112.76 1i1s n ILE 32 Ca -0.11 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.02 1i1s n ILE 32 Cb 0.62 0.00 -0.05 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 -2.56 0.00 -0.31 9.51 -2.24 -1.26 -3.23 114.28 114.19 1i1s n THR 33 Ca 0.00 -1.46 0.08 0.00 -2.27 0.00 0.00 64.05 60.39 1i1s n THR 33 Cb 0.00 0.68 0.23 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.59 1.35 -0.12 6.98 0.00 -1.91 -2.57 119.26 124.58 1i1s h ALA 34 Ca -0.15 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i1s h ALA 34 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1i1s h ALA 34 CO 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1i1s h ALA 35 N 1.56 0.08 -0.87 0.00 0.00 -1.97 0.27 119.26 118.34 1i1s h ALA 35 Ca 0.48 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1i1s h ALA 35 Cb 0.64 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1i1s h ALA 35 CO -0.34 -0.49 0.45 1.49 0.00 0.00 0.00 179.25 180.36 1i1s h GLU 36 N -0.00 1.23 -0.61 0.00 4.81 -1.93 0.58 114.58 118.66 1i1s h GLU 36 Ca 0.06 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1i1s h GLU 36 Cb 0.09 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1i1s h GLU 36 CO -0.12 0.92 0.40 0.28 -0.73 0.00 0.00 179.01 179.75 1i1s h VAL 37 N 1.22 1.14 -0.53 0.32 2.07 -0.92 0.18 116.25 119.73 1i1s h VAL 37 Ca 0.30 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1i1s h VAL 37 Cb 0.07 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 1i1s h VAL 37 CO -0.04 0.15 0.18 0.03 0.02 0.00 0.00 177.57 177.91 1i1s h ARG 38 N 0.81 0.35 -0.27 1.57 3.08 0.19 -1.10 114.38 119.00 1i1s h ARG 38 Ca 0.23 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 1i1s h ARG 38 Cb -0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1i1s h ARG 38 CO -0.06 0.23 -0.46 0.93 -1.07 0.00 0.00 179.97 179.54 1i1s h GLU 39 N 0.36 0.79 0.00 0.04 4.39 -0.20 -3.20 114.58 116.75 1i1s h GLU 39 Ca 0.26 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1i1s h GLU 39 Cb 0.29 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1i1s h GLU 39 CO -0.27 1.12 -0.30 1.55 -1.16 0.00 0.00 179.01 179.95 1i1s n VAL 40 N -4.12 0.27 -1.69 3.13 3.14 0.57 -3.45 118.33 116.18 1i1s n VAL 40 Ca -0.05 -0.16 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 1i1s n VAL 40 Cb 0.58 -0.25 -0.03 0.00 -1.06 0.00 0.00 33.84 33.07 1i1s n VAL 40 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1i1s s HIS 41 N -3.08 1.29 0.03 1.45 5.65 -0.42 -4.83 115.29 115.38 1i1s s HIS 41 Ca 0.10 0.68 -0.31 0.00 0.25 0.00 0.00 55.06 55.78 1i1s s HIS 41 Cb 0.15 -3.93 -0.17 0.00 -1.18 0.00 0.00 32.58 27.45 1i1s s HIS 41 CO 0.64 -3.66 1.28 -1.00 -0.65 0.00 0.00 174.74 171.35 1i1s h PRO 42 N 15.15 -1.06 -0.78 2.88 0.13 -1.78 -3.46 132.00 143.10 1i1s h PRO 42 Ca -0.37 0.07 -0.33 0.00 -0.87 0.00 0.00 66.00 64.50 1i1s h PRO 42 Cb 1.23 0.24 -0.31 0.00 0.13 0.00 0.00 31.00 32.29 1i1s h PRO 42 CO 1.00 -0.70 -0.90 -3.47 -0.23 0.00 0.00 178.00 173.69 1i1s n ASP 43 N -5.50 0.13 0.00 1.44 -0.08 -1.26 -4.66 116.55 106.62 1i1s n ASP 43 Ca -0.14 -2.75 -0.01 0.00 -1.51 0.00 0.00 54.79 50.38 1i1s n ASP 43 Cb 0.43 0.08 -0.00 0.00 2.34 0.00 0.00 41.12 43.97 1i1s n ASP 43 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1i1s h LEU 44 N 2.72 -0.06 0.00 -2.67 4.07 -1.93 -3.52 115.31 113.92 1i1s h LEU 44 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1i1s h LEU 44 Cb 1.18 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1i1s h LEU 44 CO 0.31 0.19 0.00 0.61 -1.08 0.00 0.00 178.44 178.48 1i1s n GLY 45 N 1.58 4.73 0.04 0.83 0.00 -1.26 -4.83 105.19 106.28 1i1s n GLY 45 Ca -0.01 -0.82 -0.12 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 -0.00 -0.40 1.61 7.08 -1.94 0.38 115.58 122.32 1i1s h ASN 46 Ca 0.00 -0.08 0.01 0.00 -3.08 0.00 0.00 56.30 53.14 1i1s h ASN 46 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 1i1s h ASN 46 CO 0.00 0.08 0.26 0.00 -2.08 0.00 0.00 177.43 175.69 1i1s h ALA 47 N 0.91 0.50 -0.28 4.14 0.00 -2.00 -1.53 119.26 121.00 1i1s h ALA 47 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 47 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1i1s h ALA 47 CO 0.00 -0.05 -0.05 -0.39 0.00 0.00 0.00 179.25 178.75 1i1s h VAL 48 N 0.53 1.28 -0.65 0.00 -1.51 -1.86 -2.84 116.25 111.19 1i1s h VAL 48 Ca 0.15 -1.06 0.03 0.00 -1.23 0.00 0.00 66.70 64.58 1i1s h VAL 48 Cb -0.05 1.41 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 1i1s h VAL 48 CO -0.04 0.34 0.41 0.58 -1.23 0.00 0.00 177.57 177.63 1i1s h VAL 49 N 0.29 1.10 -0.52 7.19 2.07 0.02 0.55 116.25 126.93 1i1s h VAL 49 Ca 0.07 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.40 1i1s h VAL 49 Cb 0.52 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1i1s h VAL 49 CO 0.02 0.15 0.14 -1.13 0.02 0.00 0.00 177.57 176.77 1i1s h ASN 50 N 0.81 0.07 -0.57 0.57 -0.73 -1.32 -1.61 115.58 112.80 1i1s h ASN 50 Ca 0.26 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.49 1i1s h ASN 50 Cb 0.00 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1i1s h ASN 50 CO -0.10 0.06 0.25 -1.28 -0.37 0.00 0.00 177.43 175.99 1i1s h SER 51 N 0.28 0.76 -0.41 1.15 0.87 -0.59 -2.75 113.55 112.87 1i1s h SER 51 Ca 0.26 -0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1i1s h SER 51 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1i1s h SER 51 CO -0.32 0.71 -0.23 0.78 -0.53 0.00 0.00 176.83 177.24 1i1s h ASN 52 N 0.77 0.94 -0.05 6.23 2.35 0.53 0.43 115.58 126.78 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 0.16 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1i1s h ASN 52 CO -0.02 1.12 -0.01 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.79 1.29 -0.78 2.81 2.04 -1.39 -2.50 117.51 119.78 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 0.50 1.23 0.00 0.00 0.00 178.15 180.19 1i1s h GLY 54 N -0.24 1.12 1.48 5.37 0.00 -1.26 -0.31 103.07 109.23 1i1s h GLY 54 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1i1s h GLY 54 CO 0.00 0.33 -0.28 -0.24 0.00 0.00 0.00 176.54 176.35 1i1s h VAL 55 N 0.98 1.28 -0.45 4.60 3.04 -0.17 0.58 116.25 126.10 1i1s h VAL 55 Ca 0.31 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.69 1i1s h VAL 55 Cb -0.01 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 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 0.06 -0.71 3.16 4.07 -1.25 -2.69 115.31 118.47 1i1s h LEU 56 Ca 0.07 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1i1s h LEU 56 Cb 0.75 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1i1s h LEU 56 CO 0.06 0.06 0.39 0.40 -1.08 0.00 0.00 178.44 178.27 1i1s h ILE 57 N 0.26 1.22 0.00 1.22 1.08 0.10 0.67 117.51 122.06 1i1s h ILE 57 Ca 0.22 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1i1s h ILE 57 Cb 0.26 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1i1s h ILE 57 CO -0.26 0.24 -0.20 0.07 -0.69 0.00 0.00 178.15 177.31 1i1s h LYS 58 N 0.97 0.00 -0.00 2.37 5.09 0.07 -1.61 116.57 123.46 1i1s h LYS 58 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.98 1i1s h LYS 58 Cb 0.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.37 1i1s h LYS 58 CO -0.04 0.20 -0.02 0.87 -2.09 0.00 0.00 179.45 178.37 1i1s h LYS 59 N 0.00 0.02 -3.84 0.07 1.57 -1.12 -3.49 116.57 109.77 1i1s h LYS 59 Ca -0.00 -0.02 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 0.70 -0.67 0.41 -0.57 0.00 0.00 179.45 179.35 1i1s n GLY 60 N 0.77 -3.93 3.16 3.86 0.00 0.38 -5.06 105.19 104.38 1i1s n GLY 60 Ca -0.09 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.30 -1.58 -0.00 0.99 2.34 0.21 -4.94 118.68 115.39 1i1s s LEU 61 Ca -0.12 -0.03 -0.12 0.00 0.06 0.00 0.00 54.13 53.92 1i1s s LEU 61 Cb 0.01 2.00 0.01 0.00 -0.56 0.00 0.00 46.19 47.65 1i1s s LEU 61 CO 0.34 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.15 1i1s s VAL 62 N 2.61 0.07 -0.23 1.48 0.11 -1.16 -4.63 120.40 118.65 1i1s s VAL 62 Ca 0.12 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1i1s s VAL 62 Cb -0.08 -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 0.10 -1.61 -3.33 0.00 0.00 175.10 169.72 1i1s s GLU 63 N -1.50 3.84 -0.40 1.54 2.02 0.17 -4.09 118.70 120.28 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 -0.05 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.82 1i1s s GLU 63 CO 0.02 -0.03 1.07 0.21 0.02 0.00 0.00 175.26 176.56 1i1s s LYS 64 N 1.23 3.86 -0.35 1.61 2.36 -1.26 -0.58 119.74 126.62 1i1s s LYS 64 Ca 0.05 0.73 -0.03 0.00 -2.55 0.00 0.00 55.97 54.17 1i1s s LYS 64 Cb -0.14 -3.83 0.07 0.00 -1.05 0.00 0.00 37.83 32.87 1i1s s LYS 64 CO 0.04 -1.13 0.09 0.45 1.55 0.00 0.00 175.35 176.36 1i1s s SER 65 N 2.06 5.12 -0.73 1.43 0.15 0.14 -4.95 113.70 116.93 1i1s s SER 65 Ca 0.45 -1.50 -0.20 0.00 0.70 0.00 0.00 55.95 55.40 1i1s s SER 65 Cb -0.10 -1.79 0.10 0.00 -1.71 0.00 0.00 66.02 62.52 1i1s s SER 65 CO 0.23 -0.37 0.94 -0.83 1.20 0.00 0.00 173.24 174.41 1i1s s GLY 66 N 1.49 1.68 -0.24 9.45 0.00 -1.26 0.38 107.32 118.82 1i1s s GLY 66 Ca 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 44.72 42.40 1i1s s GLY 66 CO -0.01 1.90 -0.16 1.22 0.00 0.00 0.00 173.10 176.04 1i1s n ASP 67 N 6.89 1.98 -4.45 1.64 9.92 -1.26 -5.16 116.55 126.11 1i1s n ASP 67 Ca 0.03 0.09 -0.25 0.00 -0.53 0.00 0.00 54.79 54.13 1i1s n ASP 67 Cb 0.46 -0.63 0.14 0.00 -0.64 0.00 0.00 41.12 40.45 1i1s n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i1s n GLY 68 N 1.87 0.23 3.50 0.44 0.00 0.16 -4.75 105.19 106.65 1i1s n GLY 68 Ca -0.46 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.26 1i1s n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1s s LEU 69 N 0.00 3.06 -0.04 0.99 1.43 -1.20 0.26 118.68 123.19 1i1s s LEU 69 Ca 0.69 -0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.44 1i1s s LEU 69 Cb -0.03 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1i1s s LEU 69 CO 0.46 0.26 0.47 0.27 0.23 0.00 0.00 176.35 178.04 1i1s s ILE 70 N -0.21 0.03 0.18 -0.59 -4.36 0.26 -3.94 121.20 112.57 1i1s s ILE 70 Ca 0.02 -0.26 -0.02 0.00 -0.26 0.00 0.00 60.65 60.13 1i1s s ILE 70 Cb -0.13 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1i1s s ILE 70 CO 0.03 -0.14 0.38 0.27 0.24 0.00 0.00 174.94 175.72 1i1s s ILE 71 N -1.19 5.19 0.91 8.37 -4.36 -1.26 0.43 121.20 129.28 1i1s s ILE 71 Ca -0.12 -0.19 -0.14 0.00 -0.26 0.00 0.00 60.65 59.94 1i1s s ILE 71 Cb -0.03 -3.69 0.15 0.00 1.25 0.00 0.00 42.46 40.14 1i1s s ILE 71 CO 0.06 -0.09 1.20 0.28 0.24 0.00 0.00 174.94 176.64 1i1s s THR 72 N -1.78 1.97 0.58 8.37 -1.32 -1.26 -4.76 115.64 117.44 1i1s s THR 72 Ca 0.40 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.16 1i1s s THR 72 Cb -0.12 -2.89 0.37 0.00 -1.51 0.00 0.00 72.50 68.35 1i1s s THR 72 CO 0.27 0.00 2.00 1.23 -2.21 0.00 0.00 174.62 175.91 1i1s h GLY 73 N -1.46 0.00 0.86 6.08 0.00 -1.99 -2.23 103.07 104.33 1i1s h GLY 73 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1i1s h GLY 73 CO 0.54 0.00 -0.12 0.83 0.00 0.00 0.00 176.54 177.79 1i1s h GLU 74 N 0.00 -0.26 -0.30 4.80 5.08 -1.97 -2.11 114.58 119.81 1i1s h GLU 74 Ca 0.17 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1i1s h GLU 74 Cb 0.86 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1i1s h GLU 74 CO -0.00 -0.17 0.10 0.00 -1.00 0.00 0.00 179.01 177.94 1i1s h ALA 75 N 0.58 0.34 -0.81 3.43 0.00 -1.76 -2.63 119.26 118.41 1i1s h ALA 75 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1i1s h ALA 75 Cb 0.26 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1i1s h ALA 75 CO -0.03 -0.30 0.53 1.96 0.00 0.00 0.00 179.25 181.42 1i1s h GLN 76 N 0.23 0.54 -0.28 0.00 1.08 -1.01 0.56 115.11 116.24 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 0.11 -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 0.56 0.52 -0.23 1.46 1.82 -1.20 -2.70 116.42 116.64 1i1s h ASP 77 Ca 0.40 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1i1s h ASP 77 Cb 0.76 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1i1s h ASP 77 CO -0.16 0.75 0.10 0.40 -1.61 0.00 0.00 179.24 178.73 1i1s h ILE 78 N 0.29 1.15 -0.29 2.25 1.08 0.29 -1.75 117.51 120.53 1i1s h ILE 78 Ca 0.07 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1i1s h ILE 78 Cb 0.51 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1i1s h ILE 78 CO 0.02 0.15 0.10 0.40 -0.69 0.00 0.00 178.15 178.14 1i1s h ILE 79 N 0.23 1.19 -0.32 -0.67 1.08 -0.53 0.38 117.51 118.87 1i1s h ILE 79 Ca 0.08 -0.59 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1i1s h ILE 79 Cb 0.15 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 1i1s h ILE 79 CO -0.01 0.20 0.18 0.28 -0.69 0.00 0.00 178.15 178.11 1i1s h SER 80 N 0.31 0.29 -0.37 1.72 0.02 -1.43 0.46 113.55 114.54 1i1s h SER 80 Ca 0.09 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1i1s h SER 80 Cb 0.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1i1s h SER 80 CO -0.01 0.21 0.12 -1.13 -1.14 0.00 0.00 176.83 174.89 1i1s h ASN 81 N 0.37 0.53 -0.16 3.07 -0.73 -1.13 -2.88 115.58 114.66 1i1s h ASN 81 Ca 0.13 -0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 1i1s h ASN 81 Cb 0.01 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1i1s h ASN 81 CO -0.07 0.59 0.00 0.00 -0.37 0.00 0.00 177.43 177.59 1i1s h ALA 82 N 0.96 0.21 -0.94 1.57 0.00 0.11 -0.32 119.26 120.86 1i1s h ALA 82 Ca 0.12 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 82 Cb 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1i1s h ALA 82 CO -0.00 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.76 1i1s h ALA 83 N 0.78 1.62 -0.69 0.00 0.00 -0.98 0.47 119.26 120.46 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 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1i1s h ALA 83 CO 0.01 0.16 0.35 1.15 0.00 0.00 0.00 179.25 180.92 1i1s h THR 84 N 0.90 1.22 -0.76 0.00 2.02 -1.21 0.49 112.91 115.57 1i1s h THR 84 Ca 0.46 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 84 Cb 0.50 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1i1s h THR 84 CO -0.22 0.25 0.27 -0.07 0.37 0.00 0.00 175.52 176.11 1i1s h LEU 85 N 0.97 1.08 -0.92 2.58 3.38 0.15 0.43 115.31 122.99 1i1s h LEU 85 Ca 0.24 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.19 1i1s h LEU 85 Cb 0.07 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 1i1s h LEU 85 CO -0.04 0.99 0.51 0.22 0.09 0.00 0.00 178.44 180.21 1i1s h TYR 86 N 1.12 0.89 -0.44 1.13 5.03 -0.28 -3.16 116.97 121.26 1i1s h TYR 86 Ca 0.25 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.55 1i1s h TYR 86 Cb 0.27 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1i1s h TYR 86 CO 0.02 0.20 0.10 0.00 -1.32 0.00 0.00 178.16 177.16 1i1s h ALA 87 N 1.60 0.58 -0.76 1.82 0.00 0.43 0.10 119.26 123.04 1i1s h ALA 87 Ca 0.52 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1i1s h ALA 87 Cb 0.77 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1i1s h ALA 87 CO -0.38 0.27 0.44 -0.56 0.00 0.00 0.00 179.25 179.02 1i1s h GLN 88 N 0.58 0.75 0.00 0.00 3.07 -0.91 -3.33 115.11 115.27 1i1s h GLN 88 Ca 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.80 1i1s h GLN 88 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1i1s h GLN 88 CO 0.00 0.50 -0.65 0.39 0.09 0.00 0.00 178.83 179.16 1i1s n GLU 89 N -4.74 0.09 0.36 0.06 -0.58 -1.09 -4.76 120.64 109.97 1i1s n GLU 89 Ca 0.11 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.74 1i1s n GLU 89 Cb 0.22 -0.65 -0.07 0.00 -0.57 0.00 0.00 31.44 30.37 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 -0.16 -0.80 -0.41 1.62 -1.24 -1.08 -3.46 115.58 110.04 1i1s h ASN 90 Ca -0.05 0.03 -0.36 0.00 0.71 0.00 0.00 56.30 56.63 1i1s h ASN 90 Cb 0.58 0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.85 1i1s h ASN 90 CO -0.03 -0.47 0.24 0.00 -1.29 0.00 0.00 177.43 175.88 1i1s n ALA 91 N -2.64 -0.79 -1.40 1.57 0.00 -0.26 -4.09 120.51 112.90 1i1s n ALA 91 Ca -0.12 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1i1s n ALA 91 Cb 0.37 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 1.02 1.54 -0.57 0.00 0.04 -1.26 0.21 135.00 135.98 1i1s s PRO 92 Ca 0.42 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.04 1i1s s PRO 92 Cb -0.60 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 31.89 1i1s s PRO 92 CO 0.32 -2.00 3.21 0.39 0.04 0.00 0.00 177.00 178.96 1i1s n GLU 93 N -3.69 2.46 -0.37 4.56 1.02 -1.26 -4.47 120.64 118.89 1i1s n GLU 93 Ca 0.07 -1.36 -0.10 0.00 -0.02 0.00 0.00 57.16 55.75 1i1s n GLU 93 Cb 0.56 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.64 1i1s n GLU 93 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1i1s n LEU 94 N 2.96 -0.93 0.04 -4.62 -0.00 -1.25 -4.73 117.00 108.46 1i1s n LEU 94 Ca 0.53 1.60 0.00 0.00 -0.00 0.00 0.00 56.01 58.14 1i1s n LEU 94 Cb 0.62 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1i1s n LEU 94 CO 0.39 -1.29 -0.16 -0.11 -0.00 0.00 0.00 177.39 176.21 1i1s n LEU 95 N -5.06 0.66 0.00 -1.96 -0.00 0.13 -5.06 117.00 105.70 1i1s n LEU 95 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1i1s n LEU 95 Cb 0.23 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1i1s n LEU 95 CO -0.14 -0.50 0.23 1.17 -0.00 0.00 0.00 177.39 178.15