#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 -0.17 0.00 6.12 2.88 -1.26 -4.93 113.62 116.27 1i1s n SER 2 Ca 0.00 0.05 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 1i1s n SER 2 Cb 0.00 0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1i1s n SER 2 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i1s h LYS 3 N 0.00 -0.09 -0.82 -1.46 3.64 -1.99 -3.40 116.57 112.46 1i1s h LYS 3 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1i1s h LYS 3 Cb 0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1i1s h LYS 3 CO 0.00 0.48 0.46 -0.39 -2.27 0.00 0.00 179.45 177.73 1i1s h VAL 4 N -0.80 1.24 -0.92 2.00 -1.51 -1.91 -0.53 116.25 113.81 1i1s h VAL 4 Ca -0.01 -0.58 0.04 0.00 -1.23 0.00 0.00 66.70 64.93 1i1s h VAL 4 Cb 0.61 0.12 -0.05 0.00 -2.13 0.00 0.00 31.29 29.84 1i1s h VAL 4 CO 0.02 0.26 0.61 0.74 -1.23 0.00 0.00 177.57 177.96 1i1s h THR 5 N 1.14 1.14 -0.58 7.19 2.02 -1.85 0.21 112.91 122.18 1i1s h THR 5 Ca 0.29 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1i1s h THR 5 Cb 0.01 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.30 1i1s h THR 5 CO -0.05 0.21 0.12 1.88 0.37 0.00 0.00 175.52 178.05 1i1s h TYR 6 N 1.14 0.94 -0.40 3.16 0.05 -1.32 0.12 116.97 120.66 1i1s h TYR 6 Ca 0.37 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 59.08 1i1s h TYR 6 Cb 0.05 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1i1s h TYR 6 CO -0.00 0.79 0.23 0.82 -1.05 0.00 0.00 178.16 178.95 1i1s h ILE 7 N 0.87 1.03 -0.20 -2.88 1.08 -0.26 0.42 117.51 117.56 1i1s h ILE 7 Ca 0.18 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 1i1s h ILE 7 Cb 0.34 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 1i1s h ILE 7 CO 0.00 0.08 -0.05 0.40 -0.69 0.00 0.00 178.15 177.89 1i1s h ILE 8 N 0.46 0.79 -0.17 -0.67 2.04 -0.46 0.36 117.51 119.86 1i1s h ILE 8 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1i1s h ILE 8 Cb 0.03 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1i1s h ILE 8 CO -0.09 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.45 1i1s h LYS 9 N -0.00 -0.11 -0.18 2.37 1.63 -0.21 0.21 116.57 120.28 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 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1i1s h LYS 9 CO -0.21 -0.07 -0.10 0.00 -3.45 0.00 0.00 179.45 175.62 1i1s h ALA 10 N 1.02 0.25 -0.58 5.00 0.00 0.00 -2.55 119.26 122.40 1i1s h ALA 10 Ca 0.10 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1i1s h ALA 10 Cb 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 10 CO -0.24 0.08 0.17 1.03 0.00 0.00 0.00 179.25 180.30 1i1s h SER 11 N 0.06 0.12 0.00 0.00 0.87 -0.87 -3.47 113.55 110.25 1i1s h SER 11 Ca 0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1i1s h SER 11 Cb 0.59 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1i1s h SER 11 CO 0.03 0.07 0.00 -3.20 -0.53 0.00 0.00 176.83 173.20 1i1s n ASN 12 N -5.06 0.00 -3.82 6.23 2.85 0.29 -4.76 115.26 111.00 1i1s n ASN 12 Ca 0.08 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.31 1i1s n ASN 12 Cb 0.28 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.32 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 -1.30 -0.07 1.20 2.03 0.46 -4.90 116.55 113.96 1i1s n ASP 13 Ca 0.00 -0.88 -0.07 0.00 0.52 0.00 0.00 54.79 54.36 1i1s n ASP 13 Cb 0.00 -3.67 -0.02 0.00 -0.72 0.00 0.00 41.12 36.70 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 -4.36 1.29 -0.90 5.18 0.31 -1.26 -5.06 118.33 113.53 1i1s n VAL 14 Ca -0.26 0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.98 1i1s n VAL 14 Cb 0.66 -2.25 0.17 0.00 -0.91 0.00 0.00 33.84 31.51 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 -7.59 2.25 0.00 7.52 2.01 -1.26 -5.06 118.68 116.55 1i1s s LEU 15 Ca -0.22 1.77 0.00 0.00 0.01 0.00 0.00 54.13 55.69 1i1s s LEU 15 Cb 0.03 -4.11 0.00 0.00 0.01 0.00 0.00 46.19 42.12 1i1s s LEU 15 CO 0.33 -3.05 0.00 0.59 1.01 0.00 0.00 176.35 175.22 1i1s n ASN 16 N -4.18 0.00 0.27 2.29 3.02 -1.26 -4.80 115.26 110.61 1i1s n ASN 16 Ca 0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.46 1i1s n ASN 16 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.80 -0.05 3.52 3.07 -1.97 -3.26 114.58 115.09 1i1s h GLU 17 Ca 0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1i1s h GLU 17 Cb 0.00 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1i1s h GLU 17 CO 0.00 -0.53 0.01 0.87 -1.40 0.00 0.00 179.01 177.96 1i1s h LYS 18 N -0.83 0.07 -0.47 2.33 1.57 -1.97 0.16 116.57 117.43 1i1s h LYS 18 Ca -0.04 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1i1s h LYS 18 Cb 0.72 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1i1s h LYS 18 CO -0.02 0.26 0.14 1.79 -0.57 0.00 0.00 179.45 181.05 1i1s h THR 19 N -0.12 1.20 -0.34 -0.16 1.35 -1.91 -1.37 112.91 111.56 1i1s h THR 19 Ca 0.02 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1i1s h THR 19 Cb 0.21 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1i1s h THR 19 CO -0.00 0.26 0.19 0.00 -0.25 0.00 0.00 175.52 175.71 1i1s h ALA 20 N 1.47 0.43 -0.44 6.62 0.00 -1.04 0.20 119.26 126.50 1i1s h ALA 20 Ca 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 20 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1i1s h ALA 20 CO -0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.05 1i1s h THR 21 N 0.42 1.26 0.06 0.00 1.03 -0.65 -2.31 112.91 112.73 1i1s h THR 21 Ca 0.12 -1.25 -0.00 0.00 -0.01 0.00 0.00 66.41 65.27 1i1s h THR 21 Cb 0.06 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 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 1.24 -0.97 0.00 1.08 -1.00 -1.51 117.51 117.09 1i1s h ILE 22 Ca 0.11 -1.09 0.20 0.00 -0.39 0.00 0.00 64.86 63.69 1i1s h ILE 22 Cb 0.66 1.94 -0.09 0.00 -3.07 0.00 0.00 36.82 36.27 1i1s h ILE 22 CO 0.05 0.27 0.61 0.25 -0.69 0.00 0.00 178.15 178.64 1i1s h LEU 23 N -0.58 0.62 -0.04 1.44 5.85 -0.67 -0.60 115.31 121.33 1i1s h LEU 23 Ca -0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1i1s h LEU 23 Cb 0.50 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1i1s h LEU 23 CO 0.01 0.23 0.02 0.40 -0.34 0.00 0.00 178.44 178.77 1i1s h ILE 24 N 0.61 1.05 -0.32 4.05 1.08 -1.18 0.41 117.51 123.21 1i1s h ILE 24 Ca 0.53 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 1i1s h ILE 24 Cb 1.03 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1i1s h ILE 24 CO -0.29 0.05 0.21 0.74 -0.69 0.00 0.00 178.15 178.17 1i1s h THR 25 N 0.00 1.09 -0.05 -0.27 2.02 -0.07 0.20 112.91 115.83 1i1s h THR 25 Ca 0.01 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1i1s h THR 25 Cb 0.05 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1i1s h THR 25 CO -0.00 0.08 -0.02 0.40 0.37 0.00 0.00 175.52 176.35 1i1s h ILE 26 N 0.43 0.92 -0.54 3.11 2.04 -1.40 -3.15 117.51 118.92 1i1s h ILE 26 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1i1s h ILE 26 Cb -0.05 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1i1s h ILE 26 CO -0.03 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.24 1i1s h ALA 27 N 1.03 0.62 0.43 1.87 0.00 0.18 -1.02 119.26 122.38 1i1s h ALA 27 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1i1s h ALA 27 Cb 0.06 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i1s h ALA 27 CO -0.06 -0.31 -0.43 0.87 0.00 0.00 0.00 179.25 179.32 1i1s h LYS 28 N 0.25 -0.84 -5.45 0.00 1.79 -0.78 -3.43 116.57 108.10 1i1s h LYS 28 Ca 0.28 0.06 -0.60 0.00 -2.18 0.00 0.00 60.65 58.21 1i1s h LYS 28 Cb 0.39 0.19 -0.11 0.00 -1.58 0.00 0.00 32.23 31.12 1i1s h LYS 28 CO -0.36 -0.56 -0.20 0.21 -1.08 0.00 0.00 179.45 177.46 1i1s s LYS 29 N -5.94 4.19 -0.42 3.15 2.20 -0.39 -5.02 119.74 117.51 1i1s s LYS 29 Ca -0.17 0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.45 1i1s s LYS 29 Cb 0.05 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1i1s s LYS 29 CO 0.62 -0.00 0.62 -0.51 -0.36 0.00 0.00 175.35 175.71 1i1s s ASP 30 N 0.97 6.32 -0.99 1.43 1.11 -1.26 -2.90 116.67 121.35 1i1s s ASP 30 Ca 0.19 -0.30 -0.05 0.00 0.18 0.00 0.00 52.55 52.57 1i1s s ASP 30 Cb -0.15 -2.31 -0.06 0.00 1.07 0.00 0.00 42.92 41.48 1i1s s ASP 30 CO 0.08 -0.72 0.86 0.49 1.18 0.00 0.00 175.17 177.05 1i1s n PHE 31 N 6.15 -2.27 0.00 4.23 3.72 -1.25 -5.05 117.46 123.00 1i1s n PHE 31 Ca -0.02 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.18 1i1s n PHE 31 Cb 0.48 -4.09 0.00 0.00 -0.94 0.00 0.00 39.48 34.93 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 -3.17 0.00 -3.95 4.37 3.06 -1.14 -4.85 119.36 113.68 1i1s n ILE 32 Ca -0.08 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.09 1i1s n ILE 32 Cb 0.62 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.77 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 -0.99 0.00 -0.27 9.51 -2.24 -1.26 -3.79 114.28 115.23 1i1s n THR 33 Ca 0.00 -0.90 0.08 0.00 -2.27 0.00 0.00 64.05 60.96 1i1s n THR 33 Cb 0.00 0.49 0.31 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.57 1.67 -0.05 6.98 0.00 -1.95 -2.49 119.26 124.99 1i1s h ALA 34 Ca -0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i1s h ALA 34 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1i1s h ALA 34 CO 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.54 1i1s h ALA 35 N 1.57 0.02 -0.76 0.00 0.00 -1.99 0.13 119.26 118.23 1i1s h ALA 35 Ca 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1i1s h ALA 35 Cb 0.42 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1i1s h ALA 35 CO -0.17 -0.50 0.37 1.49 0.00 0.00 0.00 179.25 180.44 1i1s h GLU 36 N -0.01 1.10 -0.46 0.00 4.81 -1.91 0.34 114.58 118.44 1i1s h GLU 36 Ca 0.03 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1i1s h GLU 36 Cb 0.05 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1i1s h GLU 36 CO -0.05 0.85 0.30 0.28 -0.73 0.00 0.00 179.01 179.66 1i1s h VAL 37 N 1.07 1.10 -0.66 0.32 2.07 -1.10 0.38 116.25 119.43 1i1s h VAL 37 Ca 0.26 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1i1s h VAL 37 Cb 0.11 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1i1s h VAL 37 CO -0.03 0.11 0.25 0.03 0.02 0.00 0.00 177.57 177.94 1i1s h ARG 38 N 0.61 0.40 -0.28 1.57 3.08 -0.34 -2.79 114.38 116.63 1i1s h ARG 38 Ca 0.17 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 1i1s h ARG 38 Cb -0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1i1s h ARG 38 CO -0.05 0.27 -0.45 0.93 -1.07 0.00 0.00 179.97 179.60 1i1s h GLU 39 N 0.42 0.80 0.00 0.04 4.39 0.12 -3.20 114.58 117.14 1i1s h GLU 39 Ca 0.34 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i1s h GLU 39 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1i1s h GLU 39 CO -0.35 1.12 -0.06 1.55 -1.16 0.00 0.00 179.01 180.11 1i1s n VAL 40 N -4.11 0.45 -2.01 3.13 3.14 0.12 -4.61 118.33 114.44 1i1s n VAL 40 Ca -0.04 -0.22 -0.42 0.00 -2.96 0.00 0.00 64.34 60.69 1i1s n VAL 40 Cb 0.57 -0.51 -0.03 0.00 -1.06 0.00 0.00 33.84 32.81 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 -3.08 2.36 0.01 1.45 -3.43 -1.06 -4.80 115.29 106.74 1i1s s HIS 41 Ca 0.11 0.37 -0.18 0.00 -0.80 0.00 0.00 55.06 54.56 1i1s s HIS 41 Cb 0.14 -3.89 -0.10 0.00 -1.43 0.00 0.00 32.58 27.30 1i1s s HIS 41 CO 0.60 -3.60 0.98 -1.00 -2.00 0.00 0.00 174.74 169.71 1i1s h PRO 42 N 8.61 -0.62 -0.00 -0.38 0.13 -1.88 -3.46 132.00 134.41 1i1s h PRO 42 Ca -0.41 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1i1s h PRO 42 Cb 1.19 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1i1s h PRO 42 CO 0.93 -0.41 -0.75 -0.40 -0.23 0.00 0.00 178.00 177.15 1i1s n ASP 43 N -4.24 0.82 0.01 1.44 5.75 -1.26 -4.49 116.55 114.57 1i1s n ASP 43 Ca -0.08 -0.69 -0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1i1s n ASP 43 Cb 0.25 0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 40.98 1i1s n ASP 43 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1i1s h LEU 44 N 0.12 -0.02 0.00 -2.12 4.07 -1.95 -3.50 115.31 111.90 1i1s h LEU 44 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1i1s h LEU 44 Cb 0.51 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1i1s h LEU 44 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 1i1s n GLY 45 N 1.41 4.16 0.14 0.83 0.00 -1.26 -4.77 105.19 105.71 1i1s n GLY 45 Ca -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 1i1s n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1i1s h ASN 46 N 0.00 -0.30 -0.21 1.61 2.35 -1.94 0.43 115.58 117.52 1i1s h ASN 46 Ca 0.00 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1i1s h ASN 46 Cb 0.00 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1i1s h ASN 46 CO 0.00 -0.11 -0.03 0.00 -1.65 0.00 0.00 177.43 175.64 1i1s h ALA 47 N 1.24 0.29 -0.75 -0.83 0.00 -2.01 -2.85 119.26 114.35 1i1s h ALA 47 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 47 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 47 CO -0.30 0.05 0.39 -0.39 0.00 0.00 0.00 179.25 179.01 1i1s h VAL 48 N 0.13 1.23 -0.87 0.00 -1.51 -1.77 -2.91 116.25 110.56 1i1s h VAL 48 Ca 0.06 -0.61 0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1i1s h VAL 48 Cb 0.47 0.26 -0.05 0.00 -2.13 0.00 0.00 31.29 29.84 1i1s h VAL 48 CO 0.02 0.27 0.56 0.58 -1.23 0.00 0.00 177.57 177.77 1i1s h VAL 49 N 1.04 1.15 -0.50 7.19 2.07 -0.02 0.60 116.25 127.78 1i1s h VAL 49 Ca 0.26 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 49 Cb 0.07 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 29.72 1i1s h VAL 49 CO -0.04 0.20 0.12 -1.13 0.02 0.00 0.00 177.57 176.74 1i1s h ASN 50 N 1.11 0.05 -0.56 0.57 -0.73 -1.45 -2.45 115.58 112.12 1i1s h ASN 50 Ca 0.34 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.56 1i1s h ASN 50 Cb -0.01 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.11 0.05 0.22 -1.28 -0.37 0.00 0.00 177.43 175.94 1i1s h SER 51 N 0.26 0.77 -0.41 1.15 0.87 0.13 -2.59 113.55 113.73 1i1s h SER 51 Ca 0.25 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 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 0.73 -0.21 0.78 -0.53 0.00 0.00 176.83 177.29 1i1s h ASN 52 N 0.76 0.94 -0.04 6.23 2.35 0.07 0.38 115.58 126.27 1i1s h ASN 52 Ca 0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1i1s h ASN 52 Cb 0.21 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1i1s h ASN 52 CO -0.01 1.11 -0.01 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.79 1.28 -0.83 2.81 2.04 -1.49 -2.34 117.51 119.77 1i1s h ILE 53 Ca 0.11 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1i1s h ILE 53 Cb 0.77 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1i1s h ILE 53 CO 0.06 0.23 0.54 1.23 0.00 0.00 0.00 178.15 180.21 1i1s h GLY 54 N -0.26 1.21 1.49 5.37 0.00 -1.28 -0.26 103.07 109.34 1i1s h GLY 54 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1i1s h GLY 54 CO 0.00 0.36 -0.28 -0.24 0.00 0.00 0.00 176.54 176.38 1i1s h VAL 55 N 1.06 1.28 -0.45 4.60 3.04 -0.24 0.58 116.25 126.12 1i1s h VAL 55 Ca 0.33 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.72 1i1s h VAL 55 Cb -0.01 1.37 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 1i1s h VAL 55 CO -0.11 0.44 0.11 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.50 0.05 -0.69 3.16 4.07 -1.18 -2.66 115.31 118.56 1i1s h LEU 56 Ca 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1i1s h LEU 56 Cb 0.75 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1i1s h LEU 56 CO 0.06 0.06 0.37 0.40 -1.08 0.00 0.00 178.44 178.25 1i1s h ILE 57 N 0.25 1.22 0.00 1.22 1.08 0.11 0.63 117.51 122.01 1i1s h ILE 57 Ca 0.22 -0.56 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 1i1s h ILE 57 Cb 0.26 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1i1s h ILE 57 CO -0.27 0.24 -0.22 0.07 -0.69 0.00 0.00 178.15 177.28 1i1s h LYS 58 N 0.95 0.00 -0.00 2.37 5.09 0.07 -1.76 116.57 123.28 1i1s h LYS 58 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.97 1i1s h LYS 58 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 1i1s h LYS 58 CO -0.04 0.22 -0.02 0.87 -2.09 0.00 0.00 179.45 178.39 1i1s h LYS 59 N 0.00 0.02 -3.94 0.07 1.57 -1.14 -3.49 116.57 109.66 1i1s h LYS 59 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i1s h LYS 59 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 1i1s h LYS 59 CO 0.03 0.70 -0.75 0.41 -0.57 0.00 0.00 179.45 179.27 1i1s n GLY 60 N 0.77 -4.05 3.13 3.86 0.00 0.37 -5.06 105.19 104.21 1i1s n GLY 60 Ca -0.09 0.64 0.02 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 -1.49 0.00 0.99 2.34 0.19 -4.95 118.68 115.43 1i1s s LEU 61 Ca -0.13 -0.10 -0.12 0.00 0.06 0.00 0.00 54.13 53.83 1i1s s LEU 61 Cb 0.01 1.89 0.01 0.00 -0.56 0.00 0.00 46.19 47.54 1i1s s LEU 61 CO 0.38 -0.28 0.24 0.54 -1.06 0.00 0.00 176.35 176.17 1i1s s VAL 62 N 2.57 0.07 -0.23 1.48 0.11 -1.16 -4.62 120.40 118.62 1i1s s VAL 62 Ca 0.11 -0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1i1s s VAL 62 Cb -0.09 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1i1s s VAL 62 CO -0.22 -0.33 0.09 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.57 3.83 -0.28 1.54 2.02 0.16 -4.20 118.70 120.20 1i1s s GLU 63 Ca -0.12 -0.40 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1i1s s GLU 63 Cb -0.05 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.84 1i1s s GLU 63 CO 0.02 -0.02 1.02 0.21 0.02 0.00 0.00 175.26 176.52 1i1s s LYS 64 N 1.19 4.15 -0.32 1.61 2.20 -1.26 -0.70 119.74 126.61 1i1s s LYS 64 Ca 0.05 1.15 -0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1i1s s LYS 64 Cb -0.14 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.56 1i1s s LYS 64 CO 0.04 -0.75 0.02 0.45 -0.36 0.00 0.00 175.35 174.75 1i1s s SER 65 N 1.44 4.86 -0.86 1.43 0.15 0.13 -4.94 113.70 115.91 1i1s s SER 65 Ca 0.43 -1.57 -0.11 0.00 0.70 0.00 0.00 55.95 55.40 1i1s s SER 65 Cb -0.14 -1.69 0.22 0.00 -1.71 0.00 0.00 66.02 62.71 1i1s s SER 65 CO 0.11 -0.32 0.80 -0.83 1.20 0.00 0.00 173.24 174.20 1i1s s GLY 66 N 1.28 2.77 -0.42 9.45 0.00 -1.26 -0.35 107.32 118.79 1i1s s GLY 66 Ca -0.01 -3.44 0.09 0.00 0.00 0.00 0.00 44.72 41.36 1i1s s GLY 66 CO -0.03 1.25 0.90 1.22 0.00 0.00 0.00 173.10 176.44 1i1s n ASP 67 N 3.61 -0.84 -3.73 1.64 8.00 -1.26 -5.15 116.55 118.83 1i1s n ASP 67 Ca 0.15 -3.33 -0.11 0.00 0.71 0.00 0.00 54.79 52.22 1i1s n ASP 67 Cb 0.44 0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 42.16 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 -1.80 0.88 -0.13 0.44 0.00 0.52 -4.75 107.32 102.48 1i1s s GLY 68 Ca 0.31 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.84 1i1s s GLY 68 CO -0.08 -0.78 0.12 1.08 0.00 0.00 0.00 173.10 173.45 1i1s s LEU 69 N -3.10 4.28 -0.03 0.66 1.43 -1.25 0.21 118.68 120.87 1i1s s LEU 69 Ca 0.26 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 1i1s s LEU 69 Cb -0.00 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1i1s s LEU 69 CO 0.13 0.38 0.47 0.27 0.23 0.00 0.00 176.35 177.82 1i1s s ILE 70 N -0.85 0.03 0.33 -0.59 -4.36 0.12 -3.78 121.20 112.10 1i1s s ILE 70 Ca 0.14 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1i1s s ILE 70 Cb -0.12 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.78 1i1s s ILE 70 CO 0.03 -0.15 0.53 0.27 0.24 0.00 0.00 174.94 175.86 1i1s s ILE 71 N -1.22 5.11 0.99 8.37 -4.36 -1.26 0.35 121.20 129.18 1i1s s ILE 71 Ca -0.12 -0.44 -0.16 0.00 -0.26 0.00 0.00 60.65 59.67 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 -0.50 1.25 0.42 0.24 0.00 0.00 174.94 176.42 1i1s s THR 72 N -2.25 1.93 0.33 8.37 -4.23 -1.26 -4.71 115.64 113.81 1i1s s THR 72 Ca 0.40 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1i1s s THR 72 Cb -0.10 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.17 1i1s s THR 72 CO 0.35 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.49 1i1s h GLY 73 N -1.74 1.46 0.70 3.99 0.00 -1.98 -2.01 103.07 103.48 1i1s h GLY 73 Ca -0.45 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 46.57 1i1s h GLY 73 CO 0.42 0.04 -0.02 0.83 0.00 0.00 0.00 176.54 177.82 1i1s h GLU 74 N 0.75 0.04 -0.31 4.80 5.08 -1.97 -0.28 114.58 122.69 1i1s h GLU 74 Ca 0.51 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.90 1i1s h GLU 74 Cb 0.79 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1i1s h GLU 74 CO -0.27 0.02 0.11 0.00 -1.00 0.00 0.00 179.01 177.87 1i1s h ALA 75 N 1.16 0.35 -0.82 3.43 0.00 -1.87 -2.83 119.26 118.68 1i1s h ALA 75 Ca 0.09 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1i1s h ALA 75 Cb 0.11 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1i1s h ALA 75 CO -0.16 -0.29 0.54 1.96 0.00 0.00 0.00 179.25 181.30 1i1s h GLN 76 N 0.25 0.55 -0.27 0.00 4.20 -0.33 0.61 115.11 120.12 1i1s h GLN 76 Ca 0.14 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 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 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.56 1i1s h ASP 77 N 0.57 0.51 -0.24 1.46 3.58 -1.13 -2.65 116.42 118.53 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 0.76 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1i1s h ASP 77 CO -0.16 0.74 0.11 0.40 -2.88 0.00 0.00 179.24 177.44 1i1s h ILE 78 N 0.27 1.16 -0.27 2.25 1.08 0.23 -2.67 117.51 119.57 1i1s h ILE 78 Ca 0.07 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1i1s h ILE 78 Cb 0.51 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1i1s h ILE 78 CO 0.02 0.16 0.04 0.40 -0.69 0.00 0.00 178.15 178.08 1i1s h ILE 79 N 0.25 1.23 -0.34 -0.67 1.08 -0.41 0.34 117.51 119.00 1i1s h ILE 79 Ca 0.08 -0.80 0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1i1s h ILE 79 Cb 0.15 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1i1s h ILE 79 CO -0.01 0.26 0.18 0.28 -0.69 0.00 0.00 178.15 178.17 1i1s h SER 80 N 0.25 0.29 -0.23 1.72 0.02 -1.47 0.25 113.55 114.38 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 0.34 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1i1s h SER 80 CO 0.01 0.21 -0.08 -1.13 -1.14 0.00 0.00 176.83 174.70 1i1s h ASN 81 N 0.38 0.46 -0.16 3.07 -0.73 -1.37 -2.93 115.58 114.30 1i1s h ASN 81 Ca 0.14 -0.39 -0.03 0.00 1.87 0.00 0.00 56.30 57.89 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 0.75 -0.00 0.00 -0.37 0.00 0.00 177.43 177.73 1i1s h ALA 82 N 0.73 0.21 -0.94 1.57 0.00 -0.01 0.76 119.26 121.58 1i1s h ALA 82 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 82 Cb 0.56 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1i1s h ALA 82 CO 0.03 -0.08 0.60 0.00 0.00 0.00 0.00 179.25 179.80 1i1s h ALA 83 N 0.77 1.63 -0.66 0.00 0.00 -0.61 0.53 119.26 120.91 1i1s h ALA 83 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i1s h ALA 83 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.01 0.14 0.35 1.15 0.00 0.00 0.00 179.25 180.90 1i1s h THR 84 N 0.89 1.21 -0.83 0.00 2.02 -1.25 0.41 112.91 115.35 1i1s h THR 84 Ca 0.46 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1i1s h THR 84 Cb 0.52 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1i1s h THR 84 CO -0.22 0.23 0.55 -0.07 0.37 0.00 0.00 175.52 176.38 1i1s h LEU 85 N 0.91 0.96 -0.08 2.58 3.38 0.23 0.46 115.31 123.75 1i1s h LEU 85 Ca 0.23 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1i1s h LEU 85 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1i1s h LEU 85 CO -0.04 0.70 -0.04 0.22 0.09 0.00 0.00 178.44 179.38 1i1s h TYR 86 N 1.13 -0.08 -0.94 1.13 3.20 -0.24 -3.28 116.97 117.88 1i1s h TYR 86 Ca 0.30 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.29 1i1s h TYR 86 Cb -0.13 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 1i1s h TYR 86 CO 0.00 -0.06 0.60 0.00 -1.64 0.00 0.00 178.16 177.06 1i1s h ALA 87 N 1.05 1.58 -0.74 1.82 0.00 0.42 0.22 119.26 123.61 1i1s h ALA 87 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1i1s h ALA 87 Cb 0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1i1s h ALA 87 CO -0.10 0.22 0.44 -0.56 0.00 0.00 0.00 179.25 179.25 1i1s h GLN 88 N 0.95 0.78 0.00 0.00 3.07 -0.68 -3.37 115.11 115.86 1i1s h GLN 88 Ca 0.44 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 59.12 1i1s h GLN 88 Cb 0.41 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 1i1s h GLN 88 CO -0.20 0.52 -0.43 0.39 0.09 0.00 0.00 178.83 179.19 1i1s n GLU 89 N -4.71 0.08 0.32 0.06 -0.58 0.24 -4.77 120.64 111.28 1i1s n GLU 89 Ca 0.10 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.74 1i1s n GLU 89 Cb 0.17 -0.64 -0.06 0.00 -0.57 0.00 0.00 31.44 30.33 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 -0.15 -0.71 -5.46 1.62 -1.24 -0.94 -3.47 115.58 105.24 1i1s h ASN 90 Ca -0.03 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1i1s h ASN 90 Cb 0.40 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1i1s h ASN 90 CO -0.02 -0.43 -0.74 0.00 -1.29 0.00 0.00 177.43 174.96 1i1s n ALA 91 N -2.54 -3.00 -1.78 1.57 0.00 -1.11 -4.90 120.51 108.76 1i1s n ALA 91 Ca -0.10 0.86 -0.37 0.00 0.00 0.00 0.00 53.44 53.82 1i1s n ALA 91 Cb 0.33 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 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 -2.27 4.31 -0.25 0.00 0.04 -1.26 -3.12 135.00 132.45 1i1s s PRO 92 Ca 0.19 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1i1s s PRO 92 Cb -0.05 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1i1s s PRO 92 CO 0.75 -0.01 1.87 -2.00 0.04 0.00 0.00 177.00 177.65 1i1s s GLU 93 N -2.24 3.45 0.05 4.56 2.12 -1.26 -4.86 118.70 120.52 1i1s s GLU 93 Ca 0.54 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1i1s s GLU 93 Cb -0.23 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 29.96 1i1s s GLU 93 CO 0.29 -1.72 0.00 1.28 -0.54 0.00 0.00 175.26 174.57 1i1s n LEU 94 N 9.99 0.04 0.43 2.70 4.77 -1.18 -4.85 117.00 128.90 1i1s n LEU 94 Ca 0.23 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 1i1s n LEU 94 Cb 0.45 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1i1s n LEU 94 CO 0.67 -0.44 0.51 -0.07 -1.33 0.00 0.00 177.39 176.73 1i1s h LEU 95 N 0.00 -0.92 0.00 2.23 4.07 -1.87 -3.52 115.31 115.29 1i1s h LEU 95 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1i1s h LEU 95 Cb 0.23 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1i1s h LEU 95 CO 0.00 -0.59 0.00 0.29 -1.08 0.00 0.00 178.44 177.06