#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1s h SER 2 N 0.00 -0.08 0.19 7.83 0.87 -2.04 -3.41 113.55 116.91 1i1s h SER 2 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1i1s h SER 2 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1i1s h SER 2 CO 0.00 0.23 -0.09 0.50 -0.53 0.00 0.00 176.83 176.94 1i1s h LYS 3 N -0.67 -0.24 -0.90 2.24 3.64 -1.99 -3.28 116.57 115.37 1i1s h LYS 3 Ca -0.01 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1i1s h LYS 3 Cb 0.07 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1i1s h LYS 3 CO 0.02 -0.01 0.59 -0.39 -2.27 0.00 0.00 179.45 177.39 1i1s h VAL 4 N -0.44 1.16 -0.92 2.00 -1.51 -1.92 0.22 116.25 114.84 1i1s h VAL 4 Ca -0.03 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1i1s h VAL 4 Cb 0.34 -0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 29.37 1i1s h VAL 4 CO 0.04 0.21 0.60 0.74 -1.23 0.00 0.00 177.57 177.93 1i1s h THR 5 N 1.14 1.13 -0.56 7.19 2.02 -1.79 0.18 112.91 122.21 1i1s h THR 5 Ca 0.36 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1i1s h THR 5 Cb 0.00 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 1i1s h THR 5 CO -0.10 0.21 0.10 1.88 0.37 0.00 0.00 175.52 177.97 1i1s h TYR 6 N 1.12 0.93 -0.43 3.16 0.05 -0.73 0.66 116.97 121.74 1i1s h TYR 6 Ca 0.37 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 59.09 1i1s h TYR 6 Cb 0.07 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1i1s h TYR 6 CO -0.00 0.80 0.20 0.82 -1.05 0.00 0.00 178.16 178.92 1i1s h ILE 7 N 0.85 0.94 -0.24 -2.88 1.08 -0.09 0.46 117.51 117.62 1i1s h ILE 7 Ca 0.18 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 1i1s h ILE 7 Cb 0.36 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 1i1s h ILE 7 CO 0.01 0.07 -0.02 0.40 -0.69 0.00 0.00 178.15 177.92 1i1s h ILE 8 N 0.40 0.81 -0.17 -0.67 2.04 -0.46 0.68 117.51 120.14 1i1s h ILE 8 Ca 0.19 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1i1s h ILE 8 Cb 0.12 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1i1s h ILE 8 CO -0.15 0.01 -0.11 0.50 0.00 0.00 0.00 178.15 178.40 1i1s h LYS 9 N 0.05 -0.11 -0.17 2.37 1.63 -0.38 0.14 116.57 120.11 1i1s h LYS 9 Ca 0.11 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1i1s h LYS 9 Cb 0.16 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1i1s h LYS 9 CO -0.21 -0.07 -0.12 0.00 -3.45 0.00 0.00 179.45 175.60 1i1s h ALA 10 N 1.02 0.24 -0.61 5.00 0.00 0.20 -2.46 119.26 122.64 1i1s h ALA 10 Ca 0.10 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1i1s h ALA 10 Cb 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1i1s h ALA 10 CO -0.24 0.09 0.14 1.03 0.00 0.00 0.00 179.25 180.27 1i1s h SER 11 N 0.03 0.03 0.00 0.00 0.87 -0.87 -3.47 113.55 110.14 1i1s h SER 11 Ca 0.03 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1i1s h SER 11 Cb 0.62 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1i1s h SER 11 CO 0.03 0.02 0.00 -3.20 -0.53 0.00 0.00 176.83 173.15 1i1s n ASN 12 N -5.12 0.00 -3.81 6.23 2.85 -0.39 -4.76 115.26 110.27 1i1s n ASN 12 Ca 0.09 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.33 1i1s n ASN 12 Cb 0.33 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.36 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 -1.20 -0.07 1.20 -0.08 0.37 -4.91 116.55 111.86 1i1s n ASP 13 Ca 0.00 -0.88 -0.07 0.00 -1.51 0.00 0.00 54.79 52.34 1i1s n ASP 13 Cb 0.00 -3.70 -0.02 0.00 2.34 0.00 0.00 41.12 39.73 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 -4.35 1.24 -0.87 5.18 0.31 -1.26 -5.06 118.33 113.52 1i1s n VAL 14 Ca -0.27 0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 1i1s n VAL 14 Cb 0.67 -2.22 0.19 0.00 -0.91 0.00 0.00 33.84 31.56 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 -7.48 1.76 0.00 7.52 2.01 -1.26 -5.06 118.68 116.16 1i1s s LEU 15 Ca -0.21 1.59 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1i1s s LEU 15 Cb 0.03 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.44 1i1s s LEU 15 CO 0.31 -3.36 0.00 0.59 1.01 0.00 0.00 176.35 174.91 1i1s n ASN 16 N -4.36 0.00 0.13 2.29 3.02 -1.26 -4.82 115.26 110.25 1i1s n ASN 16 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 1i1s n ASN 16 Cb 0.55 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.60 -0.05 3.52 5.08 -1.98 -3.12 114.58 117.43 1i1s h GLU 17 Ca 0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1i1s h GLU 17 Cb 0.00 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1i1s h GLU 17 CO 0.00 -0.40 0.01 0.87 -1.00 0.00 0.00 179.01 178.49 1i1s h LYS 18 N -0.62 0.07 -0.23 2.33 1.57 -1.97 0.95 116.57 118.67 1i1s h LYS 18 Ca 0.02 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1i1s h LYS 18 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1i1s h LYS 18 CO -0.20 0.26 -0.19 1.79 -0.57 0.00 0.00 179.45 180.53 1i1s h THR 19 N -0.13 1.24 -0.33 -0.16 1.35 -1.91 -1.33 112.91 111.64 1i1s h THR 19 Ca 0.01 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 1i1s h THR 19 Cb 0.22 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1i1s h THR 19 CO -0.00 0.35 0.18 0.00 -0.25 0.00 0.00 175.52 175.80 1i1s h ALA 20 N 1.44 0.43 -0.44 6.62 0.00 -1.18 0.17 119.26 126.30 1i1s h ALA 20 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1i1s h ALA 20 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1i1s h ALA 20 CO 0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.09 1i1s h THR 21 N 0.42 1.27 0.08 0.00 1.03 -0.74 -2.23 112.91 112.73 1i1s h THR 21 Ca 0.12 -1.26 -0.00 0.00 -0.01 0.00 0.00 66.41 65.25 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 -0.04 0.40 -0.01 0.00 0.00 175.52 176.29 1i1s h ILE 22 N 0.74 1.14 -0.96 0.00 1.08 -1.01 -0.89 117.51 117.61 1i1s h ILE 22 Ca 0.11 -0.81 0.19 0.00 -0.39 0.00 0.00 64.86 63.97 1i1s h ILE 22 Cb 0.67 1.66 -0.09 0.00 -3.07 0.00 0.00 36.82 36.00 1i1s h ILE 22 CO 0.05 0.20 0.61 0.25 -0.69 0.00 0.00 178.15 178.57 1i1s h LEU 23 N -0.47 0.61 -0.15 1.44 5.85 -0.72 -1.85 115.31 120.02 1i1s h LEU 23 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1i1s h LEU 23 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1i1s h LEU 23 CO 0.02 0.23 0.04 0.40 -0.34 0.00 0.00 178.44 178.79 1i1s h ILE 24 N 0.60 1.19 -0.33 4.05 1.08 -0.94 0.43 117.51 123.59 1i1s h ILE 24 Ca 0.53 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1i1s h ILE 24 Cb 1.02 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 1i1s h ILE 24 CO -0.28 0.18 0.19 0.74 -0.69 0.00 0.00 178.15 178.29 1i1s h THR 25 N 0.05 1.02 -0.02 -0.27 2.02 -0.37 0.13 112.91 115.47 1i1s h THR 25 Ca 0.05 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1i1s h THR 25 Cb 0.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1i1s h THR 25 CO -0.00 0.07 -0.02 0.40 0.37 0.00 0.00 175.52 176.34 1i1s h ILE 26 N 0.38 0.95 -0.55 3.11 2.04 -1.44 -2.79 117.51 119.21 1i1s h ILE 26 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1i1s h ILE 26 Cb 0.01 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1i1s h ILE 26 CO -0.07 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.19 1i1s h ALA 27 N 1.00 0.63 0.51 1.87 0.00 0.13 0.58 119.26 123.98 1i1s h ALA 27 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i1s h ALA 27 Cb 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 27 CO -0.03 -0.31 -0.43 0.87 0.00 0.00 0.00 179.25 179.35 1i1s h LYS 28 N 0.25 -0.89 -5.48 0.00 6.56 -0.89 -3.44 116.57 112.67 1i1s h LYS 28 Ca 0.28 0.06 -0.61 0.00 -1.06 0.00 0.00 60.65 59.32 1i1s h LYS 28 Cb 0.39 0.20 -0.12 0.00 -0.57 0.00 0.00 32.23 32.14 1i1s h LYS 28 CO -0.36 -0.60 0.13 0.21 -2.06 0.00 0.00 179.45 176.77 1i1s s LYS 29 N -5.95 4.09 -0.50 3.15 2.20 0.20 -4.99 119.74 117.93 1i1s s LYS 29 Ca -0.18 0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 55.71 1i1s s LYS 29 Cb 0.05 -3.66 0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1i1s s LYS 29 CO 0.62 -0.41 0.75 -0.51 -0.36 0.00 0.00 175.35 175.44 1i1s s ASP 30 N 1.49 6.30 -0.97 1.43 1.11 -1.26 -2.89 116.67 121.88 1i1s s ASP 30 Ca 0.25 -0.54 -0.05 0.00 0.18 0.00 0.00 52.55 52.40 1i1s s ASP 30 Cb -0.15 -2.35 -0.06 0.00 1.07 0.00 0.00 42.92 41.42 1i1s s ASP 30 CO 0.09 -0.99 0.84 0.49 1.18 0.00 0.00 175.17 176.78 1i1s n PHE 31 N 6.68 -2.21 0.00 4.23 3.72 -1.23 -5.03 117.46 123.62 1i1s n PHE 31 Ca -0.02 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 1i1s n PHE 31 Cb 0.47 -4.07 0.00 0.00 -0.94 0.00 0.00 39.48 34.94 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 -3.16 0.00 -4.07 4.37 3.06 -1.14 -4.87 119.36 113.55 1i1s n ILE 32 Ca -0.09 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.04 1i1s n ILE 32 Cb 0.61 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.75 1i1s n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1i1s n THR 33 N -0.84 0.00 -0.24 9.51 -2.24 -1.26 -3.68 114.28 115.53 1i1s n THR 33 Ca 0.00 -1.53 0.04 0.00 -2.27 0.00 0.00 64.05 60.29 1i1s n THR 33 Cb 0.00 0.84 0.16 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.82 0.97 -0.26 6.98 0.00 -1.95 -1.69 119.26 125.12 1i1s h ALA 34 Ca -0.18 0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 34 Cb 0.86 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1i1s h ALA 34 CO 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 1i1s h ALA 35 N 1.51 0.16 -0.78 0.00 0.00 -1.96 0.12 119.26 118.32 1i1s h ALA 35 Ca 0.38 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1i1s h ALA 35 Cb 0.56 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1i1s h ALA 35 CO -0.38 -0.47 0.40 1.49 0.00 0.00 0.00 179.25 180.28 1i1s h GLU 36 N -0.01 1.10 -0.92 0.00 4.81 -1.90 -0.94 114.58 116.72 1i1s h GLU 36 Ca 0.13 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1i1s h GLU 36 Cb 0.20 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1i1s h GLU 36 CO -0.27 0.83 0.61 0.28 -0.73 0.00 0.00 179.01 179.73 1i1s h VAL 37 N 1.09 1.22 -0.72 0.32 2.07 -0.29 0.53 116.25 120.47 1i1s h VAL 37 Ca 0.27 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1i1s h VAL 37 Cb 0.07 -0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 29.64 1i1s h VAL 37 CO -0.04 0.22 0.31 0.03 0.02 0.00 0.00 177.57 178.11 1i1s h ARG 38 N 1.23 0.48 -0.27 1.57 3.08 -0.53 -2.98 114.38 116.96 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 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1i1s h ARG 38 CO -0.08 0.32 -0.46 0.93 -1.07 0.00 0.00 179.97 179.60 1i1s h GLU 39 N 0.49 0.79 0.00 0.04 4.39 0.12 -3.24 114.58 117.18 1i1s h GLU 39 Ca 0.38 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1i1s h GLU 39 Cb 0.50 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1i1s h GLU 39 CO -0.34 1.12 -0.17 1.55 -1.16 0.00 0.00 179.01 180.01 1i1s n VAL 40 N -4.11 0.31 -2.07 3.13 3.14 0.14 -4.61 118.33 114.26 1i1s n VAL 40 Ca -0.05 -0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1i1s n VAL 40 Cb 0.58 -0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 32.95 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 -3.07 2.53 0.01 1.45 -3.43 -1.13 -4.82 115.29 106.83 1i1s s HIS 41 Ca 0.11 0.51 -0.18 0.00 -0.80 0.00 0.00 55.06 54.70 1i1s s HIS 41 Cb 0.15 -3.83 -0.10 0.00 -1.43 0.00 0.00 32.58 27.37 1i1s s HIS 41 CO 0.61 -3.26 1.04 -1.00 -2.00 0.00 0.00 174.74 170.13 1i1s h PRO 42 N 8.31 -0.63 -0.88 -0.38 0.13 -1.89 -3.46 132.00 133.21 1i1s h PRO 42 Ca -0.40 0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.32 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 -0.42 -0.93 -0.40 -0.23 0.00 0.00 178.00 176.95 1i1s n ASP 43 N -4.15 3.57 -0.01 1.44 5.75 -1.26 -4.56 116.55 117.32 1i1s n ASP 43 Ca -0.08 -3.17 -0.01 0.00 -0.01 0.00 0.00 54.79 51.52 1i1s n ASP 43 Cb 0.26 -0.43 -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 -0.54 0.29 0.00 -2.12 4.32 -1.26 -5.10 117.00 112.58 1i1s n LEU 44 Ca 0.29 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1i1s n LEU 44 Cb 0.84 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1i1s n LEU 44 CO 0.28 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 1i1s n GLY 45 N 1.57 4.25 0.11 -0.72 0.00 -1.26 -4.78 105.19 104.35 1i1s n GLY 45 Ca -0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.19 -0.21 1.61 2.35 -1.94 0.37 115.58 117.57 1i1s h ASN 46 Ca 0.00 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1i1s h ASN 46 Cb 0.00 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1i1s h ASN 46 CO 0.00 -0.07 -0.04 0.00 -1.65 0.00 0.00 177.43 175.67 1i1s h ALA 47 N 1.13 0.29 -0.69 -0.83 0.00 -2.01 -2.83 119.26 114.32 1i1s h ALA 47 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1i1s h ALA 47 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1i1s h ALA 47 CO -0.18 0.06 0.23 -0.39 0.00 0.00 0.00 179.25 178.97 1i1s h VAL 48 N 0.14 1.25 -0.72 0.00 -1.51 -1.80 -2.88 116.25 110.72 1i1s h VAL 48 Ca 0.06 -0.85 0.03 0.00 -1.23 0.00 0.00 66.70 64.71 1i1s h VAL 48 Cb 0.47 0.51 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1i1s h VAL 48 CO 0.02 0.33 0.46 0.58 -1.23 0.00 0.00 177.57 177.73 1i1s h VAL 49 N 1.00 1.12 -0.51 7.19 2.07 -0.19 0.56 116.25 127.48 1i1s h VAL 49 Ca 0.22 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1i1s h VAL 49 Cb 0.27 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1i1s h VAL 49 CO -0.01 0.17 0.13 -1.13 0.02 0.00 0.00 177.57 176.74 1i1s h ASN 50 N 0.91 0.05 -0.56 0.57 -0.73 -1.44 -1.89 115.58 112.49 1i1s h ASN 50 Ca 0.29 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.51 1i1s h ASN 50 Cb -0.01 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1i1s h ASN 50 CO -0.10 0.05 0.24 -1.28 -0.37 0.00 0.00 177.43 175.98 1i1s h SER 51 N 0.27 0.76 -0.39 1.15 0.87 -0.59 -2.78 113.55 112.84 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 0.70 -0.24 0.78 -0.53 0.00 0.00 176.83 177.23 1i1s h ASN 52 N 0.77 0.93 -0.04 6.23 2.35 0.46 0.44 115.58 126.71 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 0.17 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1i1s h ASN 52 CO -0.02 1.12 -0.01 0.40 -1.65 0.00 0.00 177.43 177.27 1i1s h ILE 53 N 0.78 1.30 -0.81 2.81 2.04 -1.43 -2.61 117.51 119.58 1i1s h ILE 53 Ca 0.10 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1i1s h ILE 53 Cb 0.79 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1i1s h ILE 53 CO 0.07 0.25 0.52 1.23 0.00 0.00 0.00 178.15 180.21 1i1s h GLY 54 N -0.27 1.17 1.47 5.37 0.00 -1.26 -0.22 103.07 109.32 1i1s h GLY 54 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1i1s h GLY 54 CO 0.00 0.35 -0.28 -0.24 0.00 0.00 0.00 176.54 176.37 1i1s h VAL 55 N 1.02 1.28 -0.43 4.60 3.04 -0.16 0.60 116.25 126.19 1i1s h VAL 55 Ca 0.32 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.70 1i1s h VAL 55 Cb -0.01 1.36 -0.06 0.00 -2.01 0.00 0.00 31.29 30.57 1i1s h VAL 55 CO -0.11 0.44 0.10 -0.07 -1.01 0.00 0.00 177.57 176.93 1i1s h LEU 56 N 0.52 0.04 -0.68 3.16 4.07 -1.27 -2.77 115.31 118.39 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 42.55 1i1s h LEU 56 CO 0.06 0.06 0.34 0.40 -1.08 0.00 0.00 178.44 178.22 1i1s h ILE 57 N 0.24 1.22 0.00 1.22 1.08 0.11 0.68 117.51 122.06 1i1s h ILE 57 Ca 0.21 -0.61 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1i1s h ILE 57 Cb 0.25 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1i1s h ILE 57 CO -0.26 0.26 -0.24 0.07 -0.69 0.00 0.00 178.15 177.29 1i1s h LYS 58 N 0.94 0.00 -0.01 2.37 5.09 0.09 -1.88 116.57 123.16 1i1s h LYS 58 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.95 1i1s h LYS 58 Cb 0.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.43 1i1s h LYS 58 CO -0.03 0.24 -0.08 0.87 -2.09 0.00 0.00 179.45 178.36 1i1s h LYS 59 N 0.00 0.07 -3.83 0.07 1.57 -1.18 -3.49 116.57 109.78 1i1s h LYS 59 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1i1s h LYS 59 Cb 0.74 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 1i1s h LYS 59 CO 0.03 0.74 -0.66 0.41 -0.57 0.00 0.00 179.45 179.40 1i1s n GLY 60 N 0.77 -3.92 3.16 3.86 0.00 0.10 -5.06 105.19 104.10 1i1s n GLY 60 Ca -0.09 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.53 -0.00 0.99 2.34 0.21 -4.95 118.68 115.45 1i1s s LEU 61 Ca -0.12 -0.01 -0.12 0.00 0.06 0.00 0.00 54.13 53.94 1i1s s LEU 61 Cb 0.01 1.96 0.01 0.00 -0.56 0.00 0.00 46.19 47.61 1i1s s LEU 61 CO 0.33 -0.26 0.25 0.54 -1.06 0.00 0.00 176.35 176.15 1i1s s VAL 62 N 2.64 0.07 -0.24 1.48 0.11 -1.16 -4.62 120.40 118.68 1i1s s VAL 62 Ca 0.12 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 1i1s s VAL 62 Cb -0.08 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1i1s s VAL 62 CO -0.22 -0.32 0.06 -1.61 -3.33 0.00 0.00 175.10 169.68 1i1s s GLU 63 N -1.46 3.69 -0.31 1.54 2.02 0.15 -4.17 118.70 120.16 1i1s s GLU 63 Ca -0.13 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 1i1s s GLU 63 Cb -0.06 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1i1s s GLU 63 CO 0.03 -0.11 1.02 0.21 0.02 0.00 0.00 175.26 176.43 1i1s s LYS 64 N 1.39 4.05 -0.34 1.61 2.20 -1.26 -0.20 119.74 127.19 1i1s s LYS 64 Ca 0.05 1.00 -0.03 0.00 -0.36 0.00 0.00 55.97 56.63 1i1s s LYS 64 Cb -0.15 -3.73 0.07 0.00 -1.51 0.00 0.00 37.83 32.51 1i1s s LYS 64 CO 0.03 -0.85 0.08 0.45 -0.36 0.00 0.00 175.35 174.71 1i1s s SER 65 N 1.62 5.07 -0.70 1.43 0.15 0.13 -4.94 113.70 116.46 1i1s s SER 65 Ca 0.43 -1.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.38 1i1s s SER 65 Cb -0.13 -1.77 0.11 0.00 -1.71 0.00 0.00 66.02 62.52 1i1s s SER 65 CO 0.14 -0.36 0.87 -0.83 1.20 0.00 0.00 173.24 174.26 1i1s s GLY 66 N 1.45 1.78 -0.24 9.45 0.00 -1.26 0.37 107.32 118.88 1i1s s GLY 66 Ca -0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 44.72 42.33 1i1s s GLY 66 CO -0.02 1.77 -0.14 1.22 0.00 0.00 0.00 173.10 175.93 1i1s n ASP 67 N 6.52 1.99 -4.73 1.64 8.00 -1.26 -5.16 116.55 123.55 1i1s n ASP 67 Ca 0.01 0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 1i1s n ASP 67 Cb 0.45 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 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 -6.07 1.61 -0.07 0.44 0.00 0.16 -4.77 107.32 98.62 1i1s s GLY 68 Ca -0.34 -1.59 -0.12 0.00 0.00 0.00 0.00 44.72 42.67 1i1s s GLY 68 CO 0.60 -1.62 0.30 1.08 0.00 0.00 0.00 173.10 173.46 1i1s s LEU 69 N -3.77 4.41 -0.04 0.66 1.43 -1.24 0.20 118.68 120.32 1i1s s LEU 69 Ca 0.33 0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 53.94 1i1s s LEU 69 Cb -0.06 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.81 1i1s s LEU 69 CO 0.22 0.31 0.48 0.27 0.23 0.00 0.00 176.35 177.86 1i1s s ILE 70 N -0.77 0.03 0.21 -0.59 -4.36 0.72 -3.56 121.20 112.88 1i1s s ILE 70 Ca 0.20 -0.25 -0.03 0.00 -0.26 0.00 0.00 60.65 60.30 1i1s s ILE 70 Cb -0.15 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 1i1s s ILE 70 CO 0.09 -0.14 0.44 0.27 0.24 0.00 0.00 174.94 175.84 1i1s s ILE 71 N -1.18 5.13 0.85 8.37 -4.36 -1.26 0.32 121.20 129.07 1i1s s ILE 71 Ca -0.12 -0.09 -0.12 0.00 -0.26 0.00 0.00 60.65 60.06 1i1s s ILE 71 Cb -0.03 -3.69 0.10 0.00 1.25 0.00 0.00 42.46 40.09 1i1s s ILE 71 CO 0.06 -0.15 1.16 0.28 0.24 0.00 0.00 174.94 176.54 1i1s s THR 72 N -1.86 2.04 0.59 8.37 -1.32 -1.26 -4.73 115.64 117.46 1i1s s THR 72 Ca 0.41 0.01 0.29 0.00 -1.21 0.00 0.00 61.69 61.19 1i1s s THR 72 Cb -0.11 -2.91 0.38 0.00 -1.51 0.00 0.00 72.50 68.35 1i1s s THR 72 CO 0.28 -0.02 1.92 1.23 -2.21 0.00 0.00 174.62 175.82 1i1s h GLY 73 N -1.23 0.00 0.94 6.08 0.00 -1.99 -1.72 103.07 105.14 1i1s h GLY 73 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1i1s h GLY 73 CO 0.64 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.90 1i1s h GLU 74 N 0.00 -0.26 -0.28 4.80 3.07 -1.96 -2.06 114.58 117.88 1i1s h GLU 74 Ca 0.20 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1i1s h GLU 74 Cb 1.09 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1i1s h GLU 74 CO -0.00 -0.17 0.10 0.00 -1.40 0.00 0.00 179.01 177.53 1i1s h ALA 75 N 0.55 0.32 -0.82 3.43 0.00 -1.67 -2.75 119.26 118.32 1i1s h ALA 75 Ca -0.01 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1i1s h ALA 75 Cb 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 75 CO 0.01 -0.31 0.54 1.96 0.00 0.00 0.00 179.25 181.45 1i1s h GLN 76 N 0.23 0.56 -0.29 0.00 4.20 -1.01 0.59 115.11 119.39 1i1s h GLN 76 Ca 0.12 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1i1s h GLN 76 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1i1s h GLN 76 CO -0.12 0.37 -0.04 0.22 -0.67 0.00 0.00 178.83 178.58 1i1s h ASP 77 N 0.58 0.54 -0.25 1.46 1.82 -1.25 -2.48 116.42 116.83 1i1s h ASP 77 Ca 0.41 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1i1s h ASP 77 Cb 0.75 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1i1s h ASP 77 CO -0.16 0.76 0.11 0.40 -1.61 0.00 0.00 179.24 178.73 1i1s h ILE 78 N 0.31 1.16 -0.27 2.25 1.08 0.26 -1.31 117.51 120.98 1i1s h ILE 78 Ca 0.08 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1i1s h ILE 78 Cb 0.51 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1i1s h ILE 78 CO 0.02 0.16 0.07 0.40 -0.69 0.00 0.00 178.15 178.11 1i1s h ILE 79 N 0.27 1.21 -0.30 -0.67 1.08 -0.42 0.40 117.51 119.09 1i1s h ILE 79 Ca 0.09 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 1i1s h ILE 79 Cb 0.15 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1i1s h ILE 79 CO -0.01 0.23 0.18 0.28 -0.69 0.00 0.00 178.15 178.15 1i1s h SER 80 N 0.27 0.31 -0.35 1.72 0.02 -1.40 0.14 113.55 114.27 1i1s h SER 80 Ca 0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1i1s h SER 80 Cb 0.29 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1i1s h SER 80 CO 0.00 0.23 0.09 -1.13 -1.14 0.00 0.00 176.83 174.87 1i1s h ASN 81 N 0.38 0.53 -0.38 3.07 -0.73 -1.11 -2.91 115.58 114.43 1i1s h ASN 81 Ca 0.11 -0.23 -0.06 0.00 1.87 0.00 0.00 56.30 57.99 1i1s h ASN 81 Cb -0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 1i1s h ASN 81 CO -0.04 0.62 -0.01 0.00 -0.37 0.00 0.00 177.43 177.64 1i1s h ALA 82 N 0.93 0.51 -0.92 1.57 0.00 0.06 -0.06 119.26 121.34 1i1s h ALA 82 Ca 0.11 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1i1s h ALA 82 Cb 0.30 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1i1s h ALA 82 CO 0.00 0.29 0.60 0.00 0.00 0.00 0.00 179.25 180.14 1i1s h ALA 83 N 0.87 1.50 -0.72 0.00 0.00 -0.76 0.51 119.26 120.67 1i1s h ALA 83 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1i1s h ALA 83 Cb 0.48 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1i1s h ALA 83 CO 0.02 0.35 0.36 1.15 0.00 0.00 0.00 179.25 181.13 1i1s h THR 84 N 1.04 1.22 -0.46 0.00 2.02 -1.26 0.40 112.91 115.89 1i1s h THR 84 Ca 0.40 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1i1s h THR 84 Cb 0.22 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1i1s h THR 84 CO -0.16 0.26 0.07 -0.07 0.37 0.00 0.00 175.52 176.00 1i1s h LEU 85 N 1.01 0.66 -0.22 2.58 3.38 0.17 0.49 115.31 123.38 1i1s h LEU 85 Ca 0.25 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1i1s h LEU 85 Cb 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1i1s h LEU 85 CO -0.04 0.68 -0.07 0.22 0.09 0.00 0.00 178.44 179.33 1i1s h TYR 86 N 0.68 -0.14 -0.98 1.13 3.20 -0.23 -3.28 116.97 117.34 1i1s h TYR 86 Ca 0.15 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1i1s h TYR 86 Cb 0.31 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1i1s h TYR 86 CO 0.01 -0.11 0.63 0.00 -1.64 0.00 0.00 178.16 177.05 1i1s h ALA 87 N 1.19 1.37 -0.99 1.82 0.00 0.42 0.21 119.26 123.28 1i1s h ALA 87 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1i1s h ALA 87 Cb 0.18 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1i1s h ALA 87 CO -0.23 0.40 0.63 -0.56 0.00 0.00 0.00 179.25 179.48 1i1s h GLN 88 N 1.13 1.04 0.00 0.00 3.07 -0.55 0.19 115.11 120.00 1i1s h GLN 88 Ca 0.43 -0.06 -0.33 0.00 0.09 0.00 0.00 58.65 58.78 1i1s h GLN 88 Cb 0.19 -0.23 -0.06 0.00 0.08 0.00 0.00 27.48 27.46 1i1s h GLN 88 CO -0.18 0.69 -2.22 0.39 0.09 0.00 0.00 178.83 177.59 1i1s n GLU 89 N -4.57 0.53 0.22 0.06 -0.58 0.45 -3.96 120.64 112.78 1i1s n GLU 89 Ca 0.17 0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1i1s n GLU 89 Cb 0.27 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.69 1i1s n GLU 89 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1i1s h ASN 90 N -0.12 -0.47 -5.54 1.62 2.35 -0.92 -3.44 115.58 109.06 1i1s h ASN 90 Ca -0.49 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.21 1i1s h ASN 90 Cb 1.71 0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.20 1i1s h ASN 90 CO -0.11 -0.29 -0.77 0.00 -1.65 0.00 0.00 177.43 174.61 1i1s n ALA 91 N -2.35 -2.94 -2.69 -0.83 0.00 0.68 -4.21 120.51 108.18 1i1s n ALA 91 Ca -0.07 0.81 -0.41 0.00 0.00 0.00 0.00 53.44 53.77 1i1s n ALA 91 Cb 0.22 -2.70 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 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 -2.26 4.51 0.19 0.00 0.04 -1.26 -3.49 135.00 132.74 1i1s s PRO 92 Ca 0.20 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1i1s s PRO 92 Cb -0.04 -3.45 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1i1s s PRO 92 CO 0.74 0.02 1.34 -1.21 0.04 0.00 0.00 177.00 177.93 1i1s s GLU 93 N 0.85 4.36 0.33 4.56 0.41 -1.26 -4.94 118.70 123.01 1i1s s GLU 93 Ca 0.46 2.10 0.00 0.00 -0.41 0.00 0.00 54.97 57.12 1i1s s GLU 93 Cb -0.20 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 1i1s s GLU 93 CO 0.24 -0.31 0.00 1.28 -0.49 0.00 0.00 175.26 175.98 1i1s n LEU 94 N 2.79 -2.14 0.13 1.80 4.77 -1.23 -5.08 117.00 118.04 1i1s n LEU 94 Ca 0.07 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1i1s n LEU 94 Cb 0.42 2.12 0.00 0.00 -2.33 0.00 0.00 43.42 43.63 1i1s n LEU 94 CO 0.58 -0.20 0.00 -0.11 -1.33 0.00 0.00 177.39 176.33 1i1s n LEU 95 N -3.29 -2.31 0.00 2.23 7.94 -1.26 -5.10 117.00 115.21 1i1s n LEU 95 Ca 0.00 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1i1s n LEU 95 Cb 0.00 2.34 0.00 0.00 0.53 0.00 0.00 43.42 46.29 1i1s n LEU 95 CO 0.00 0.01 0.00 2.29 -1.11 0.00 0.00 177.39 178.58