#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 -2.93 0.11 3.17 3.41 -1.26 -4.94 113.62 111.17 1i1s n SER 2 Ca 0.00 -2.89 -0.13 0.00 -0.26 0.00 0.00 58.87 55.58 1i1s n SER 2 Cb 0.00 1.66 -0.08 0.00 -0.26 0.00 0.00 64.21 65.53 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 4.36 -0.23 -0.89 4.33 3.64 -1.98 -3.34 116.57 122.45 1i1s h LYS 3 Ca -0.06 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1i1s h LYS 3 Cb 1.08 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1i1s h LYS 3 CO 0.13 0.00 0.59 -0.39 -2.27 0.00 0.00 179.45 177.51 1i1s h VAL 4 N -0.44 1.16 -0.91 2.00 -1.51 -1.92 0.25 116.25 114.88 1i1s h VAL 4 Ca -0.02 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1i1s h VAL 4 Cb 0.34 -0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.38 1i1s h VAL 4 CO 0.04 0.21 0.60 0.74 -1.23 0.00 0.00 177.57 177.92 1i1s h THR 5 N 1.12 1.13 -0.67 7.19 2.02 -1.90 0.25 112.91 122.06 1i1s h THR 5 Ca 0.35 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1i1s h THR 5 Cb 0.01 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.31 1i1s h THR 5 CO -0.10 0.20 0.30 1.88 0.37 0.00 0.00 175.52 178.17 1i1s h TYR 6 N 1.12 0.96 -0.17 3.16 0.05 -0.68 0.57 116.97 121.97 1i1s h TYR 6 Ca 0.37 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1i1s h TYR 6 Cb 0.06 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1i1s h TYR 6 CO -0.00 0.71 0.11 0.82 -1.05 0.00 0.00 178.16 178.75 1i1s h ILE 7 N 0.95 1.03 -0.84 -2.88 1.08 0.50 0.58 117.51 117.93 1i1s h ILE 7 Ca 0.23 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.71 1i1s h ILE 7 Cb 0.13 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 34.61 1i1s h ILE 7 CO -0.03 0.04 0.49 0.40 -0.69 0.00 0.00 178.15 178.37 1i1s h ILE 8 N 0.22 0.95 0.15 -0.67 2.04 -0.42 0.13 117.51 119.91 1i1s h ILE 8 Ca 0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1i1s h ILE 8 Cb -0.02 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1i1s h ILE 8 CO -0.02 0.16 -0.07 0.50 0.00 0.00 0.00 178.15 178.71 1i1s h LYS 9 N 0.85 -0.19 -0.16 2.37 1.63 -0.43 0.38 116.57 121.03 1i1s h LYS 9 Ca 0.39 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.15 1i1s h LYS 9 Cb 0.30 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1i1s h LYS 9 CO -0.22 -0.12 -0.13 0.00 -3.45 0.00 0.00 179.45 175.53 1i1s h ALA 10 N 0.65 0.23 -0.36 5.00 0.00 0.11 -3.03 119.26 121.87 1i1s h ALA 10 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1i1s h ALA 10 Cb 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1i1s h ALA 10 CO 0.03 0.09 -0.38 1.03 0.00 0.00 0.00 179.25 180.03 1i1s h SER 11 N 0.01 -1.24 0.00 0.00 0.87 -0.90 -3.46 113.55 108.83 1i1s h SER 11 Ca 0.03 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1i1s h SER 11 Cb 0.64 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1i1s h SER 11 CO 0.03 -0.35 0.00 -3.20 -0.53 0.00 0.00 176.83 172.78 1i1s n ASN 12 N -5.42 0.00 -2.81 6.23 4.05 -1.14 -4.74 115.26 111.43 1i1s n ASN 12 Ca -0.00 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.98 1i1s n ASN 12 Cb 0.35 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.38 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 -6.34 -0.05 1.20 -0.08 0.13 -4.97 116.55 106.45 1i1s n ASP 13 Ca 0.00 -0.25 -0.05 0.00 -1.51 0.00 0.00 54.79 52.99 1i1s n ASP 13 Cb 0.00 -4.41 -0.02 0.00 2.34 0.00 0.00 41.12 39.03 1i1s n ASP 13 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1i1s n VAL 14 N -2.09 0.80 -0.41 5.18 0.31 -1.26 -5.11 118.33 115.76 1i1s n VAL 14 Ca -0.02 0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 64.32 1i1s n VAL 14 Cb 0.54 -1.95 0.28 0.00 -0.91 0.00 0.00 33.84 31.80 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 -6.55 -0.56 0.00 7.52 2.01 -1.26 -5.07 118.68 114.77 1i1s s LEU 15 Ca -0.15 1.06 0.00 0.00 0.01 0.00 0.00 54.13 55.05 1i1s s LEU 15 Cb 0.02 -2.63 0.00 0.00 0.01 0.00 0.00 46.19 43.59 1i1s s LEU 15 CO 0.23 -5.05 0.00 0.59 1.01 0.00 0.00 176.35 173.13 1i1s n ASN 16 N -5.44 0.57 -0.00 2.29 3.02 -1.26 -4.87 115.26 109.56 1i1s n ASN 16 Ca 0.09 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 54.02 1i1s n ASN 16 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.34 -0.04 3.52 3.07 -1.98 -2.34 114.58 116.47 1i1s h GLU 17 Ca 0.00 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1i1s h GLU 17 Cb 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1i1s h GLU 17 CO 0.00 -0.23 0.01 0.87 -1.40 0.00 0.00 179.01 178.27 1i1s h LYS 18 N -0.35 0.06 -0.17 2.33 1.57 -1.96 0.12 116.57 118.17 1i1s h LYS 18 Ca 0.10 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1i1s h LYS 18 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1i1s h LYS 18 CO -0.34 0.25 -0.32 1.79 -0.57 0.00 0.00 179.45 180.25 1i1s h THR 19 N -0.13 1.28 -0.33 -0.16 1.35 -1.91 -0.87 112.91 112.14 1i1s h THR 19 Ca 0.01 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1i1s h THR 19 Cb 0.21 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1i1s h THR 19 CO -0.00 0.42 0.18 0.00 -0.25 0.00 0.00 175.52 175.87 1i1s h ALA 20 N 1.36 0.42 -0.44 6.62 0.00 -0.82 0.17 119.26 126.56 1i1s h ALA 20 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1i1s h ALA 20 Cb 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1i1s h ALA 20 CO 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.09 1i1s h THR 21 N 0.41 1.27 0.08 0.00 1.03 -0.63 -1.58 112.91 113.48 1i1s h THR 21 Ca 0.11 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1i1s h THR 21 Cb 0.06 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1i1s h THR 21 CO -0.02 0.43 -0.04 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.74 1.17 -0.99 0.00 1.08 -1.01 -0.70 117.51 117.81 1i1s h ILE 22 Ca 0.11 -0.96 0.18 0.00 -0.39 0.00 0.00 64.86 63.81 1i1s h ILE 22 Cb 0.67 1.79 -0.10 0.00 -3.07 0.00 0.00 36.82 36.11 1i1s h ILE 22 CO 0.05 0.23 0.61 0.25 -0.69 0.00 0.00 178.15 178.61 1i1s h LEU 23 N -0.54 0.73 0.21 1.44 5.85 -0.72 -1.24 115.31 121.04 1i1s h LEU 23 Ca -0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1i1s h LEU 23 Cb 0.46 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1i1s h LEU 23 CO 0.02 0.28 -0.11 0.40 -0.34 0.00 0.00 178.44 178.69 1i1s h ILE 24 N 0.72 0.78 -0.53 4.05 1.08 -1.03 0.46 117.51 123.04 1i1s h ILE 24 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.02 1i1s h ILE 24 Cb 0.91 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1i1s h ILE 24 CO -0.33 0.00 0.34 0.74 -0.69 0.00 0.00 178.15 178.22 1i1s h THR 25 N -0.29 1.15 0.00 -0.27 2.02 0.02 0.30 112.91 115.83 1i1s h THR 25 Ca -0.03 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1i1s h THR 25 Cb 0.23 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1i1s h THR 25 CO 0.05 0.14 -0.02 0.40 0.37 0.00 0.00 175.52 176.46 1i1s h ILE 26 N 0.72 0.95 -0.55 3.11 2.04 -1.41 -3.12 117.51 119.26 1i1s h ILE 26 Ca 0.19 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.15 1i1s h ILE 26 Cb -0.06 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1i1s h ILE 26 CO -0.04 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.23 1i1s h ALA 27 N 0.97 0.63 0.36 1.87 0.00 0.28 -0.75 119.26 122.62 1i1s h ALA 27 Ca 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 27 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1i1s h ALA 27 CO -0.02 -0.30 -0.37 0.87 0.00 0.00 0.00 179.25 179.43 1i1s h LYS 28 N 0.25 -0.73 -5.42 0.00 1.79 -0.67 -3.43 116.57 108.37 1i1s h LYS 28 Ca 0.28 0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 58.19 1i1s h LYS 28 Cb 0.39 0.17 -0.12 0.00 -1.58 0.00 0.00 32.23 31.09 1i1s h LYS 28 CO -0.36 -0.49 -0.10 0.21 -1.08 0.00 0.00 179.45 177.63 1i1s s LYS 29 N -5.98 4.14 -0.36 3.15 2.20 -0.29 -5.02 119.74 117.58 1i1s s LYS 29 Ca -0.17 0.29 -0.21 0.00 -0.36 0.00 0.00 55.97 55.52 1i1s s LYS 29 Cb 0.06 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1i1s s LYS 29 CO 0.63 -0.18 0.65 -0.51 -0.36 0.00 0.00 175.35 175.58 1i1s s ASP 30 N 1.26 6.44 -1.07 1.43 1.01 -1.26 -2.98 116.67 121.49 1i1s s ASP 30 Ca 0.21 0.15 -0.07 0.00 0.71 0.00 0.00 52.55 53.54 1i1s s ASP 30 Cb -0.15 -2.33 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 1i1s s ASP 30 CO 0.09 -0.62 0.91 0.49 0.21 0.00 0.00 175.17 176.25 1i1s n PHE 31 N 6.09 -2.37 0.00 4.23 3.01 -1.25 -5.05 117.46 122.12 1i1s n PHE 31 Ca -0.01 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.26 1i1s n PHE 31 Cb 0.48 -4.10 0.00 0.00 -0.01 0.00 0.00 39.48 35.85 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 -3.42 0.00 -4.09 4.37 3.06 -1.16 -4.85 119.36 113.27 1i1s n ILE 32 Ca -0.09 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.02 1i1s n ILE 32 Cb 0.62 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.76 1i1s n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1i1s n THR 33 N -0.59 0.00 -0.31 9.51 -2.24 -1.26 -3.88 114.28 115.51 1i1s n THR 33 Ca 0.00 -1.69 0.04 0.00 -2.27 0.00 0.00 64.05 60.14 1i1s n THR 33 Cb 0.00 0.94 0.19 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.90 1.26 -0.28 6.98 0.00 -1.94 -2.18 119.26 125.00 1i1s h ALA 34 Ca -0.21 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1i1s h ALA 34 Cb 0.97 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1i1s h ALA 34 CO 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1i1s h ALA 35 N 1.49 0.19 -0.84 0.00 0.00 -1.99 0.75 119.26 118.86 1i1s h ALA 35 Ca 0.43 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1i1s h ALA 35 Cb 0.44 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1i1s h ALA 35 CO -0.27 -0.46 0.45 1.49 0.00 0.00 0.00 179.25 180.46 1i1s h GLU 36 N 0.01 1.18 -0.94 0.00 4.81 -1.88 0.17 114.58 117.93 1i1s h GLU 36 Ca 0.13 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1i1s h GLU 36 Cb 0.20 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1i1s h GLU 36 CO -0.28 0.88 0.62 0.28 -0.73 0.00 0.00 179.01 179.78 1i1s h VAL 37 N 1.18 1.22 -0.66 0.32 2.07 -0.74 0.47 116.25 120.11 1i1s h VAL 37 Ca 0.29 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1i1s h VAL 37 Cb 0.05 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.61 1i1s h VAL 37 CO -0.05 0.23 0.29 0.03 0.02 0.00 0.00 177.57 178.09 1i1s h ARG 38 N 1.25 0.49 -0.24 1.57 3.08 -0.33 -3.24 114.38 116.97 1i1s h ARG 38 Ca 0.35 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.10 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1i1s h ARG 38 CO -0.09 0.32 -0.54 0.93 -1.07 0.00 0.00 179.97 179.53 1i1s h GLU 39 N 0.50 0.70 0.09 0.04 4.39 0.27 -2.61 114.58 117.97 1i1s h GLU 39 Ca 0.33 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1i1s h GLU 39 Cb 0.38 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1i1s h GLU 39 CO -0.29 1.06 -0.38 -0.24 -1.16 0.00 0.00 179.01 178.00 1i1s h VAL 40 N 0.54 0.21 -2.50 3.13 3.04 -0.69 -3.46 116.25 116.52 1i1s h VAL 40 Ca 0.01 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.17 1i1s h VAL 40 Cb 1.11 0.21 0.04 0.00 -2.01 0.00 0.00 31.29 30.65 1i1s h VAL 40 CO 0.11 0.00 1.08 0.00 -1.01 0.00 0.00 177.57 177.75 1i1s n HIS 41 N -5.45 2.63 0.26 3.17 1.44 -0.99 -4.89 115.22 111.40 1i1s n HIS 41 Ca -0.07 -0.10 -0.11 0.00 -2.01 0.00 0.00 57.72 55.44 1i1s n HIS 41 Cb 0.36 -2.71 -0.05 0.00 0.12 0.00 0.00 29.99 27.71 1i1s n HIS 41 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1i1s h PRO 42 N 8.17 -0.67 -1.13 -1.40 0.13 -1.90 -3.45 132.00 131.76 1i1s h PRO 42 Ca -0.46 0.05 -0.45 0.00 -0.87 0.00 0.00 66.00 64.26 1i1s h PRO 42 Cb 1.22 0.15 -0.41 0.00 0.13 0.00 0.00 31.00 32.09 1i1s h PRO 42 CO 0.95 -0.45 -0.98 -0.40 -0.23 0.00 0.00 178.00 176.89 1i1s n ASP 43 N -4.42 3.01 0.00 1.44 5.75 -1.26 -4.63 116.55 116.44 1i1s n ASP 43 Ca -0.09 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1i1s n ASP 43 Cb 0.27 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.33 0.01 0.00 -2.12 4.32 -1.26 -5.04 117.00 112.58 1i1s n LEU 44 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1i1s n LEU 44 Cb 0.77 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1i1s n LEU 44 CO 0.29 -0.21 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1i1s n GLY 45 N 2.08 4.17 0.09 -0.72 0.00 -1.26 -4.78 105.19 104.78 1i1s n GLY 45 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.15 -0.25 1.61 -1.07 -1.96 0.43 115.58 114.18 1i1s h ASN 46 Ca 0.00 0.05 -0.03 0.00 0.07 0.00 0.00 56.30 56.38 1i1s h ASN 46 Cb 0.00 0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 1i1s h ASN 46 CO 0.00 -0.06 0.02 0.00 0.07 0.00 0.00 177.43 177.46 1i1s h ALA 47 N 1.12 0.34 -0.73 4.14 0.00 -2.01 -2.71 119.26 119.42 1i1s h ALA 47 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1i1s h ALA 47 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1i1s h ALA 47 CO -0.15 0.04 0.24 -0.39 0.00 0.00 0.00 179.25 178.99 1i1s h VAL 48 N 0.22 1.26 -0.85 0.00 -1.51 -1.82 -2.91 116.25 110.65 1i1s h VAL 48 Ca 0.07 -0.89 0.02 0.00 -1.23 0.00 0.00 66.70 64.68 1i1s h VAL 48 Cb 0.37 0.46 -0.05 0.00 -2.13 0.00 0.00 31.29 29.94 1i1s h VAL 48 CO 0.01 0.35 0.55 0.58 -1.23 0.00 0.00 177.57 177.83 1i1s h VAL 49 N 1.07 1.18 -0.51 7.19 2.07 0.03 0.58 116.25 127.87 1i1s h VAL 49 Ca 0.24 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1i1s h VAL 49 Cb 0.29 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1i1s h VAL 49 CO -0.01 0.20 0.13 -1.13 0.02 0.00 0.00 177.57 176.78 1i1s h ASN 50 N 1.11 0.06 -0.53 0.57 -0.73 -1.43 -2.09 115.58 112.54 1i1s h ASN 50 Ca 0.32 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.54 1i1s h ASN 50 Cb -0.07 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 1i1s h ASN 50 CO -0.09 0.06 0.19 -1.28 -0.37 0.00 0.00 177.43 175.94 1i1s h SER 51 N 0.27 0.75 -0.48 1.15 0.87 -0.41 -2.75 113.55 112.95 1i1s h SER 51 Ca 0.25 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 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 0.73 -0.23 0.78 -0.53 0.00 0.00 176.83 177.27 1i1s h ASN 52 N 0.72 1.03 -0.05 6.23 2.35 0.34 0.45 115.58 126.66 1i1s h ASN 52 Ca 0.17 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1i1s h ASN 52 Cb 0.23 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1i1s h ASN 52 CO -0.01 1.20 -0.01 0.40 -1.65 0.00 0.00 177.43 177.36 1i1s h ILE 53 N 0.86 1.30 -0.77 2.81 2.04 -1.47 -2.33 117.51 119.94 1i1s h ILE 53 Ca 0.11 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1i1s h ILE 53 Cb 0.82 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 1i1s h ILE 53 CO 0.07 0.25 0.50 1.23 0.00 0.00 0.00 178.15 180.20 1i1s h GLY 54 N -0.27 1.12 1.48 5.37 0.00 -1.31 0.48 103.07 109.95 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 -0.29 -0.24 0.00 0.00 0.00 176.54 176.34 1i1s h VAL 55 N 0.97 1.28 -0.43 4.60 3.04 -0.13 0.60 116.25 126.18 1i1s h VAL 55 Ca 0.31 -1.39 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 1i1s h VAL 55 Cb -0.00 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 30.60 1i1s h VAL 55 CO -0.11 0.45 0.10 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.51 0.04 -0.69 3.16 4.07 -1.19 -2.64 115.31 118.56 1i1s h LEU 56 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1i1s h LEU 56 Cb 0.77 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 0.35 0.40 -1.08 0.00 0.00 178.44 178.23 1i1s h ILE 57 N 0.24 1.22 0.00 1.22 1.08 0.15 0.73 117.51 122.15 1i1s h ILE 57 Ca 0.21 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1i1s h ILE 57 Cb 0.25 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1i1s h ILE 57 CO -0.26 0.25 -0.17 0.07 -0.69 0.00 0.00 178.15 177.35 1i1s h LYS 58 N 0.95 0.00 -0.02 2.37 5.09 0.09 -1.45 116.57 123.60 1i1s h LYS 58 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.95 1i1s h LYS 58 Cb 0.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.41 1i1s h LYS 58 CO -0.03 0.17 -0.11 0.87 -2.09 0.00 0.00 179.45 178.26 1i1s h LYS 59 N 0.00 0.10 -4.08 0.07 1.57 -1.08 -3.49 116.57 109.67 1i1s h LYS 59 Ca -0.00 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1i1s h LYS 59 Cb 0.69 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.95 1i1s h LYS 59 CO 0.02 0.76 -0.86 0.41 -0.57 0.00 0.00 179.45 179.21 1i1s n GLY 60 N 0.75 -4.21 3.16 3.86 0.00 0.40 -5.06 105.19 104.10 1i1s n GLY 60 Ca -0.09 0.79 0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.39 -1.61 -0.00 0.99 2.34 0.23 -4.94 118.68 115.29 1i1s s LEU 61 Ca -0.15 -0.02 -0.12 0.00 0.06 0.00 0.00 54.13 53.90 1i1s s LEU 61 Cb 0.01 2.02 0.01 0.00 -0.56 0.00 0.00 46.19 47.67 1i1s s LEU 61 CO 0.43 -0.27 0.25 0.54 -1.06 0.00 0.00 176.35 176.24 1i1s s VAL 62 N 2.62 0.07 -0.22 1.48 0.11 -1.18 -4.62 120.40 118.67 1i1s s VAL 62 Ca 0.11 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 1i1s s VAL 62 Cb -0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1i1s s VAL 62 CO -0.22 -0.32 0.08 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.49 3.87 -0.32 1.54 2.02 0.15 -4.16 118.70 120.31 1i1s s GLU 63 Ca -0.13 -0.38 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 1i1s s GLU 63 Cb -0.06 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.88 1i1s s GLU 63 CO 0.03 0.06 1.04 0.21 0.02 0.00 0.00 175.26 176.62 1i1s s LYS 64 N 0.96 4.05 -0.34 1.61 2.36 -1.26 -0.54 119.74 126.58 1i1s s LYS 64 Ca 0.04 1.01 -0.02 0.00 -2.55 0.00 0.00 55.97 54.45 1i1s s LYS 64 Cb -0.14 -3.73 0.07 0.00 -1.05 0.00 0.00 37.83 32.98 1i1s s LYS 64 CO 0.03 -0.87 0.07 0.45 1.55 0.00 0.00 175.35 176.59 1i1s s SER 65 N 1.64 5.04 -0.85 1.43 0.15 0.10 -4.94 113.70 116.28 1i1s s SER 65 Ca 0.44 -1.52 -0.12 0.00 0.70 0.00 0.00 55.95 55.45 1i1s s SER 65 Cb -0.12 -1.76 0.22 0.00 -1.71 0.00 0.00 66.02 62.65 1i1s s SER 65 CO 0.15 -0.36 0.79 -0.83 1.20 0.00 0.00 173.24 174.18 1i1s s GLY 66 N 1.43 2.74 -0.42 9.45 0.00 -1.26 -0.35 107.32 118.92 1i1s s GLY 66 Ca -0.00 -3.41 0.09 0.00 0.00 0.00 0.00 44.72 41.40 1i1s s GLY 66 CO -0.02 1.25 0.92 1.22 0.00 0.00 0.00 173.10 176.47 1i1s n ASP 67 N 3.70 -0.79 -3.67 1.64 9.92 -1.26 -5.15 116.55 120.94 1i1s n ASP 67 Ca 0.15 -3.34 -0.11 0.00 -0.53 0.00 0.00 54.79 50.95 1i1s n ASP 67 Cb 0.45 0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 41.54 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 -1.83 0.94 -0.13 0.44 0.00 0.52 -4.75 107.32 102.51 1i1s s GLY 68 Ca 0.31 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 1i1s s GLY 68 CO -0.07 -0.80 0.14 1.08 0.00 0.00 0.00 173.10 173.45 1i1s s LEU 69 N -3.11 4.35 -0.03 0.66 1.43 -1.25 0.03 118.68 120.76 1i1s s LEU 69 Ca 0.26 0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 53.59 1i1s s LEU 69 Cb -0.00 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1i1s s LEU 69 CO 0.13 0.39 0.45 0.27 0.23 0.00 0.00 176.35 177.82 1i1s s ILE 70 N -0.88 0.03 0.32 -0.59 -4.36 0.30 -3.85 121.20 112.18 1i1s s ILE 70 Ca 0.14 -0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 60.25 1i1s s ILE 70 Cb -0.12 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 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 0.98 8.37 -4.36 -1.26 0.33 121.20 129.15 1i1s s ILE 71 Ca -0.12 -0.39 -0.16 0.00 -0.26 0.00 0.00 60.65 59.72 1i1s s ILE 71 Cb -0.03 -3.83 0.20 0.00 1.25 0.00 0.00 42.46 40.04 1i1s s ILE 71 CO 0.06 -0.49 1.25 0.42 0.24 0.00 0.00 174.94 176.43 1i1s s THR 72 N -2.24 1.93 0.33 8.37 -4.23 -1.26 -4.72 115.64 113.82 1i1s s THR 72 Ca 0.40 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1i1s s THR 72 Cb -0.10 -2.89 0.32 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 0.00 174.62 177.48 1i1s h GLY 73 N -1.73 1.44 0.69 3.99 0.00 -1.98 -2.11 103.07 103.36 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 0.00 176.54 177.85 1i1s h GLU 74 N 0.75 0.08 -0.39 4.80 3.07 -1.96 0.11 114.58 121.03 1i1s h GLU 74 Ca 0.51 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.40 1i1s h GLU 74 Cb 0.79 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.65 1i1s h GLU 74 CO -0.27 0.05 0.17 0.00 -1.40 0.00 0.00 179.01 177.56 1i1s h ALA 75 N 1.18 0.47 -0.83 3.43 0.00 -1.87 -2.73 119.26 118.91 1i1s h ALA 75 Ca 0.10 0.03 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 17.83 1i1s h ALA 75 CO -0.16 -0.21 0.54 1.96 0.00 0.00 0.00 179.25 181.38 1i1s h GLN 76 N 0.35 0.56 -0.26 0.00 4.20 -0.32 0.58 115.11 120.21 1i1s h GLN 76 Ca 0.17 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 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 -0.14 0.37 -0.05 0.22 -0.67 0.00 0.00 178.83 178.55 1i1s h ASP 77 N 0.57 0.50 -0.23 1.46 1.82 -1.06 -2.44 116.42 117.05 1i1s h ASP 77 Ca 0.41 -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 40.63 1i1s h ASP 77 CO -0.16 0.74 0.10 0.40 -1.61 0.00 0.00 179.24 178.70 1i1s h ILE 78 N 0.26 1.16 -0.32 2.25 1.08 0.24 -0.32 117.51 121.86 1i1s h ILE 78 Ca 0.07 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1i1s h ILE 78 Cb 0.51 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1i1s h ILE 78 CO 0.02 0.16 0.13 0.40 -0.69 0.00 0.00 178.15 178.17 1i1s h ILE 79 N 0.23 1.18 -0.39 -0.67 1.08 -0.46 0.40 117.51 118.88 1i1s h ILE 79 Ca 0.08 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1i1s h ILE 79 Cb 0.16 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1i1s h ILE 79 CO -0.01 0.19 0.22 0.28 -0.69 0.00 0.00 178.15 178.15 1i1s h SER 80 N 0.37 0.36 -0.26 1.72 0.02 -1.33 0.28 113.55 114.70 1i1s h SER 80 Ca 0.11 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1i1s h SER 80 Cb 0.18 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1i1s h SER 80 CO -0.01 0.26 -0.04 -1.13 -1.14 0.00 0.00 176.83 174.76 1i1s h ASN 81 N 0.45 0.49 -0.15 3.07 -1.24 -0.84 -1.91 115.58 115.46 1i1s h ASN 81 Ca 0.16 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1i1s h ASN 81 Cb 0.02 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1i1s h ASN 81 CO -0.08 0.73 0.00 0.00 -1.29 0.00 0.00 177.43 176.79 1i1s h ALA 82 N 0.78 0.20 -0.93 1.57 0.00 -0.08 -1.00 119.26 119.80 1i1s h ALA 82 Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1i1s h ALA 82 Cb 0.50 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1i1s h ALA 82 CO 0.02 -0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.76 1i1s h ALA 83 N 0.76 1.66 -0.63 0.00 0.00 -0.48 0.39 119.26 120.96 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 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i1s h ALA 83 CO 0.01 0.11 0.32 1.15 0.00 0.00 0.00 179.25 180.84 1i1s h THR 84 N 0.86 1.20 -0.64 0.00 2.02 -0.94 0.65 112.91 116.07 1i1s h THR 84 Ca 0.46 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 84 Cb 0.55 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1i1s h THR 84 CO -0.22 0.23 0.07 -0.07 0.37 0.00 0.00 175.52 175.90 1i1s h LEU 85 N 0.88 1.03 -0.91 2.58 3.38 0.97 0.21 115.31 123.45 1i1s h LEU 85 Ca 0.22 -0.26 0.16 0.00 0.09 0.00 0.00 57.88 58.09 1i1s h LEU 85 Cb 0.06 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.44 1i1s h LEU 85 CO -0.03 1.05 0.50 0.22 0.09 0.00 0.00 178.44 180.27 1i1s h TYR 86 N 0.99 0.88 -0.43 1.13 3.20 -0.39 -3.06 116.97 119.30 1i1s h TYR 86 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1i1s h TYR 86 Cb 0.48 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1i1s h TYR 86 CO 0.03 0.20 0.27 0.00 -1.64 0.00 0.00 178.16 177.02 1i1s h ALA 87 N 1.60 0.55 -0.76 1.82 0.00 0.34 0.46 119.26 123.27 1i1s h ALA 87 Ca 0.51 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.45 1i1s h ALA 87 Cb 0.75 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1i1s h ALA 87 CO -0.37 0.03 0.43 -0.56 0.00 0.00 0.00 179.25 178.77 1i1s h GLN 88 N 0.57 0.72 0.00 0.00 3.07 -1.00 0.41 115.11 118.88 1i1s h GLN 88 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.85 1i1s h GLN 88 Cb -0.02 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.38 1i1s h GLN 88 CO -0.03 0.48 -0.46 0.39 0.09 0.00 0.00 178.83 179.30 1i1s n GLU 89 N -4.76 0.39 0.03 0.06 1.02 -1.18 -4.57 120.64 111.63 1i1s n GLU 89 Ca 0.11 0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 1i1s n GLU 89 Cb 0.23 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 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 -0.86 0.00 -5.32 1.62 -1.24 -0.13 -3.48 115.58 106.18 1i1s h ASN 90 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1i1s h ASN 90 Cb 0.46 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.47 1i1s h ASN 90 CO 0.00 0.09 -1.12 0.00 -1.29 0.00 0.00 177.43 175.11 1i1s n ALA 91 N -2.14 -3.22 -2.55 1.57 0.00 0.14 -4.88 120.51 109.43 1i1s n ALA 91 Ca -0.07 1.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.95 1i1s n ALA 91 Cb 0.07 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.16 3.73 -0.45 0.00 0.04 -1.26 -4.56 135.00 131.34 1i1s s PRO 92 Ca -0.09 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 1i1s s PRO 92 Cb 0.01 -3.91 -0.13 0.00 0.04 0.00 0.00 34.50 30.50 1i1s s PRO 92 CO 0.65 -1.36 3.23 0.39 0.04 0.00 0.00 177.00 179.94 1i1s n GLU 93 N 7.78 2.55 0.00 4.56 1.02 -1.26 -4.72 120.64 130.57 1i1s n GLU 93 Ca 0.13 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 1i1s n GLU 93 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 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 2.20 0.00 -0.02 -4.62 0.00 -1.26 -3.20 117.00 110.10 1i1s n LEU 94 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.48 1i1s n LEU 94 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 44.08 1i1s n LEU 94 CO 0.32 0.00 -0.31 0.18 0.00 0.00 0.00 177.39 177.59 1i1s n LEU 95 N 0.00 1.28 0.00 -1.96 4.77 -1.26 -5.15 117.00 114.68 1i1s n LEU 95 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1i1s n LEU 95 Cb 0.00 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1i1s n LEU 95 CO 0.00 -0.49 0.07 0.29 -1.33 0.00 0.00 177.39 175.92