#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 0.00 0.11 7.83 3.41 -1.26 -4.86 113.62 118.85 1i1s n SER 2 Ca 0.00 -0.80 -0.13 0.00 -0.26 0.00 0.00 58.87 57.67 1i1s n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.00 -0.25 -0.89 4.33 3.64 -1.99 -3.28 116.57 118.13 1i1s h LYS 3 Ca 0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1i1s h LYS 3 Cb 0.00 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1i1s h LYS 3 CO 0.00 -0.01 0.59 -0.39 -2.27 0.00 0.00 179.45 177.36 1i1s h VAL 4 N -0.45 1.16 -0.92 2.00 -1.51 -1.92 0.99 116.25 115.60 1i1s h VAL 4 Ca -0.03 -0.38 0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1i1s h VAL 4 Cb 0.35 -0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.39 1i1s h VAL 4 CO 0.04 0.20 0.60 0.74 -1.23 0.00 0.00 177.57 177.93 1i1s h THR 5 N 1.12 1.14 -0.60 7.19 2.02 -1.88 0.25 112.91 122.14 1i1s h THR 5 Ca 0.35 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1i1s h THR 5 Cb 0.01 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.30 1i1s h THR 5 CO -0.10 0.21 0.17 1.88 0.37 0.00 0.00 175.52 178.04 1i1s h TYR 6 N 1.13 0.95 -0.34 3.16 0.05 -0.94 0.08 116.97 121.06 1i1s h TYR 6 Ca 0.37 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 59.08 1i1s h TYR 6 Cb 0.06 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1i1s h TYR 6 CO -0.00 0.78 0.20 0.82 -1.05 0.00 0.00 178.16 178.91 1i1s h ILE 7 N 0.89 1.04 -0.21 -2.88 1.08 0.07 0.44 117.51 117.95 1i1s h ILE 7 Ca 0.20 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1i1s h ILE 7 Cb 0.29 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 1i1s h ILE 7 CO -0.00 0.08 -0.05 0.40 -0.69 0.00 0.00 178.15 177.88 1i1s h ILE 8 N 0.42 0.79 -0.17 -0.67 2.04 -0.49 0.47 117.51 119.90 1i1s h ILE 8 Ca 0.13 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1i1s h ILE 8 Cb -0.00 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1i1s h ILE 8 CO -0.06 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.48 1i1s h LYS 9 N 0.00 -0.11 -0.17 2.37 1.63 -0.50 0.10 116.57 119.90 1i1s h LYS 9 Ca 0.10 0.01 -0.06 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 -0.12 0.00 -3.45 0.00 0.00 179.45 175.60 1i1s h ALA 10 N 1.01 0.25 -0.65 5.00 0.00 0.08 -2.52 119.26 122.43 1i1s h ALA 10 Ca 0.10 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1i1s h ALA 10 Cb 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1i1s h ALA 10 CO -0.24 0.09 0.26 1.03 0.00 0.00 0.00 179.25 180.39 1i1s h SER 11 N 0.05 0.26 0.00 0.00 0.87 -0.89 -3.47 113.55 110.37 1i1s h SER 11 Ca 0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1i1s h SER 11 Cb 0.62 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1i1s h SER 11 CO 0.03 0.15 0.00 -3.20 -0.53 0.00 0.00 176.83 173.28 1i1s n ASN 12 N -4.98 0.00 -3.79 6.23 2.85 -0.09 -4.73 115.26 110.75 1i1s n ASN 12 Ca 0.10 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.34 1i1s n ASN 12 Cb 0.30 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.34 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 2.03 0.16 -4.91 116.55 113.76 1i1s n ASP 13 Ca 0.00 -0.87 -0.06 0.00 0.52 0.00 0.00 54.79 54.38 1i1s n ASP 13 Cb 0.00 -3.77 -0.02 0.00 -0.72 0.00 0.00 41.12 36.61 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 -4.34 1.24 -0.81 5.18 0.31 -1.26 -5.06 118.33 113.60 1i1s n VAL 14 Ca -0.28 0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 1i1s n VAL 14 Cb 0.67 -2.23 0.21 0.00 -0.91 0.00 0.00 33.84 31.59 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 -7.50 1.32 0.00 7.52 2.01 -1.26 -5.06 118.68 115.70 1i1s s LEU 15 Ca -0.21 1.46 0.00 0.00 0.01 0.00 0.00 54.13 55.39 1i1s s LEU 15 Cb 0.03 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.70 1i1s s LEU 15 CO 0.31 -3.67 0.00 0.59 1.01 0.00 0.00 176.35 174.58 1i1s n ASN 16 N -4.56 0.00 -0.03 2.29 3.02 -1.26 -4.86 115.26 109.86 1i1s n ASN 16 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 1i1s n ASN 16 Cb 0.55 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 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 -0.32 -0.04 3.52 3.07 -1.98 -3.06 114.58 115.78 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 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1i1s h GLU 17 CO 0.00 -0.21 0.01 0.87 -1.40 0.00 0.00 179.01 178.28 1i1s h LYS 18 N -0.33 0.06 0.00 2.33 1.57 -1.95 0.26 116.57 118.50 1i1s h LYS 18 Ca 0.12 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1i1s h LYS 18 Cb 0.52 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1i1s h LYS 18 CO -0.39 0.23 -0.59 1.79 -0.57 0.00 0.00 179.45 179.92 1i1s h THR 19 N -0.14 1.41 -0.32 -0.16 1.35 -1.90 -2.35 112.91 110.80 1i1s h THR 19 Ca 0.01 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.83 1i1s h THR 19 Cb 0.20 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1i1s h THR 19 CO -0.00 0.58 0.17 0.00 -0.25 0.00 0.00 175.52 176.02 1i1s h ALA 20 N 1.41 0.41 -0.33 6.62 0.00 -1.13 0.42 119.26 126.66 1i1s h ALA 20 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1i1s h ALA 20 Cb 1.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1i1s h ALA 20 CO 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1i1s h THR 21 N 0.40 1.28 0.10 0.00 1.03 -1.03 -2.03 112.91 112.66 1i1s h THR 21 Ca 0.11 -1.10 -0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1i1s h THR 21 Cb 0.07 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1i1s h THR 21 CO -0.02 0.36 -0.05 0.40 -0.01 0.00 0.00 175.52 176.20 1i1s h ILE 22 N 0.41 0.96 -0.73 0.00 1.08 -1.27 0.27 117.51 118.24 1i1s h ILE 22 Ca 0.09 -0.23 0.14 0.00 -0.39 0.00 0.00 64.86 64.46 1i1s h ILE 22 Cb 0.55 1.11 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 1i1s h ILE 22 CO 0.03 0.06 0.27 0.25 -0.69 0.00 0.00 178.15 178.07 1i1s h LEU 23 N -0.24 0.24 0.06 1.44 5.85 -0.25 -1.81 115.31 120.60 1i1s h LEU 23 Ca -0.01 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1i1s h LEU 23 Cb 0.20 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1i1s h LEU 23 CO 0.02 0.09 -0.03 0.40 -0.34 0.00 0.00 178.44 178.58 1i1s h ILE 24 N 0.42 0.96 -0.72 4.05 1.08 -0.75 0.45 117.51 122.99 1i1s h ILE 24 Ca 0.40 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.82 1i1s h ILE 24 Cb 0.60 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1i1s h ILE 24 CO -0.40 0.02 0.46 0.74 -0.69 0.00 0.00 178.15 178.27 1i1s h THR 25 N -0.11 1.11 -0.00 -0.27 2.02 0.23 0.48 112.91 116.37 1i1s h THR 25 Ca -0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1i1s h THR 25 Cb 0.09 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1i1s h THR 25 CO 0.01 0.16 -0.01 0.40 0.37 0.00 0.00 175.52 176.45 1i1s h ILE 26 N 0.90 0.96 -0.58 3.11 2.04 -1.34 -3.08 117.51 119.51 1i1s h ILE 26 Ca 0.28 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.24 1i1s h ILE 26 Cb -0.01 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1i1s h ILE 26 CO -0.10 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.20 1i1s h ALA 27 N 0.98 0.70 0.54 1.87 0.00 0.43 -0.42 119.26 123.36 1i1s h ALA 27 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1i1s h ALA 27 Cb 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i1s h ALA 27 CO -0.02 -0.27 -0.48 0.87 0.00 0.00 0.00 179.25 179.35 1i1s h LYS 28 N 0.30 -0.96 -5.43 0.00 1.57 -0.67 -3.43 116.57 107.95 1i1s h LYS 28 Ca 0.30 0.07 -0.62 0.00 -1.87 0.00 0.00 60.65 58.53 1i1s h LYS 28 Cb 0.42 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 1i1s h LYS 28 CO -0.36 -0.64 0.08 0.21 -0.57 0.00 0.00 179.45 178.17 1i1s s LYS 29 N -5.69 4.00 -0.38 3.15 2.20 -0.16 -5.01 119.74 117.85 1i1s s LYS 29 Ca -0.17 0.34 -0.21 0.00 -0.36 0.00 0.00 55.97 55.57 1i1s s LYS 29 Cb 0.04 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1i1s s LYS 29 CO 0.56 -0.46 0.66 -0.51 -0.36 0.00 0.00 175.35 175.25 1i1s s ASP 30 N 1.57 6.42 -1.06 1.43 1.11 -1.26 -2.46 116.67 122.42 1i1s s ASP 30 Ca 0.24 0.08 -0.08 0.00 0.18 0.00 0.00 52.55 52.97 1i1s s ASP 30 Cb -0.15 -2.34 -0.06 0.00 1.07 0.00 0.00 42.92 41.44 1i1s s ASP 30 CO 0.10 -0.66 0.90 0.49 1.18 0.00 0.00 175.17 177.19 1i1s n PHE 31 N 6.17 -2.41 0.00 4.23 3.01 -1.25 -5.05 117.46 122.16 1i1s n PHE 31 Ca -0.01 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.27 1i1s n PHE 31 Cb 0.48 -4.05 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 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 -3.33 0.00 -4.06 4.37 3.06 -1.03 -4.88 119.36 113.49 1i1s n ILE 32 Ca -0.07 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.05 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 -0.65 0.00 -0.21 9.51 -2.24 -1.26 -3.86 114.28 115.57 1i1s n THR 33 Ca 0.00 -1.52 0.01 0.00 -2.27 0.00 0.00 64.05 60.27 1i1s n THR 33 Cb 0.00 0.84 0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.83 0.82 -0.34 6.98 0.00 -1.94 -1.91 119.26 124.70 1i1s h ALA 34 Ca -0.19 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 34 Cb 0.87 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1i1s h ALA 34 CO 0.26 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 1i1s h ALA 35 N 1.46 0.22 -0.73 0.00 0.00 -1.99 0.13 119.26 118.35 1i1s h ALA 35 Ca 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1i1s h ALA 35 Cb 0.45 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1i1s h ALA 35 CO -0.35 -0.46 0.38 1.49 0.00 0.00 0.00 179.25 180.32 1i1s h GLU 36 N -0.01 1.03 -0.91 0.00 4.81 -1.90 -0.41 114.58 117.20 1i1s h GLU 36 Ca 0.16 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1i1s h GLU 36 Cb 0.26 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1i1s h GLU 36 CO -0.35 0.78 0.60 0.28 -0.73 0.00 0.00 179.01 179.59 1i1s h VAL 37 N 1.01 1.21 -0.68 0.32 2.07 -0.40 0.50 116.25 120.28 1i1s h VAL 37 Ca 0.25 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.47 1i1s h VAL 37 Cb 0.06 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.65 1i1s h VAL 37 CO -0.04 0.22 0.27 0.03 0.02 0.00 0.00 177.57 178.07 1i1s h ARG 38 N 1.21 0.43 -0.27 1.57 3.08 -0.49 -2.97 114.38 116.94 1i1s h ARG 38 Ca 0.34 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 1i1s h ARG 38 Cb -0.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1i1s h ARG 38 CO -0.08 0.28 -0.47 0.93 -1.07 0.00 0.00 179.97 179.56 1i1s h GLU 39 N 0.44 0.80 -0.00 0.04 4.39 0.15 -3.22 114.58 117.18 1i1s h GLU 39 Ca 0.35 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i1s h GLU 39 Cb 0.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1i1s h GLU 39 CO -0.34 1.13 -0.24 1.55 -1.16 0.00 0.00 179.01 179.94 1i1s n VAL 40 N -4.10 0.00 -2.04 3.13 3.14 0.11 -4.66 118.33 113.91 1i1s n VAL 40 Ca -0.05 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 1i1s n VAL 40 Cb 0.58 -0.11 -0.03 0.00 -1.06 0.00 0.00 33.84 33.23 1i1s n VAL 40 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1i1s s HIS 41 N -2.95 2.47 0.02 1.45 -3.43 -1.12 -4.83 115.29 106.90 1i1s s HIS 41 Ca 0.14 0.46 -0.20 0.00 -0.80 0.00 0.00 55.06 54.66 1i1s s HIS 41 Cb 0.18 -3.85 -0.11 0.00 -1.43 0.00 0.00 32.58 27.37 1i1s s HIS 41 CO 0.60 -3.39 1.14 -1.00 -2.00 0.00 0.00 174.74 170.10 1i1s h PRO 42 N 8.42 -0.68 -0.92 -0.38 0.13 -1.89 -3.45 132.00 133.23 1i1s h PRO 42 Ca -0.40 0.05 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 1i1s h PRO 42 Cb 1.19 0.15 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 1i1s h PRO 42 CO 0.93 -0.45 -1.00 -3.47 -0.23 0.00 0.00 178.00 173.77 1i1s n ASP 43 N -4.16 2.88 -0.04 1.44 2.03 -1.26 -4.57 116.55 112.87 1i1s n ASP 43 Ca -0.09 -2.95 -0.02 0.00 0.52 0.00 0.00 54.79 52.25 1i1s n ASP 43 Cb 0.28 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1i1s n ASP 43 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i1s h LEU 44 N 2.64 0.00 0.00 -2.67 4.07 -1.95 -3.51 115.31 113.90 1i1s h LEU 44 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1i1s h LEU 44 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1i1s h LEU 44 CO 0.54 0.41 0.00 0.61 -1.08 0.00 0.00 178.44 178.92 1i1s n GLY 45 N 1.68 2.91 0.24 0.83 0.00 -1.26 -4.76 105.19 104.83 1i1s n GLY 45 Ca -0.04 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 0.10 -0.36 1.61 -1.07 -1.94 0.67 115.58 114.60 1i1s h ASN 46 Ca 0.00 0.11 -0.00 0.00 0.07 0.00 0.00 56.30 56.48 1i1s h ASN 46 Cb 0.00 0.12 -0.02 0.00 -2.07 0.00 0.00 38.32 36.36 1i1s h ASN 46 CO 0.00 0.05 0.22 0.00 0.07 0.00 0.00 177.43 177.77 1i1s h ALA 47 N 1.49 0.46 -0.52 4.14 0.00 -2.01 -2.28 119.26 120.53 1i1s h ALA 47 Ca 0.34 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1i1s h ALA 47 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1i1s h ALA 47 CO -0.39 -0.05 0.10 -0.39 0.00 0.00 0.00 179.25 178.52 1i1s h VAL 48 N 0.47 1.23 -0.60 0.00 -1.51 -0.61 -2.92 116.25 112.31 1i1s h VAL 48 Ca 0.13 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1i1s h VAL 48 Cb -0.00 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 29.85 1i1s h VAL 48 CO -0.02 0.31 0.39 0.58 -1.23 0.00 0.00 177.57 177.60 1i1s h VAL 49 N 0.78 1.16 -0.51 7.19 2.07 0.53 0.59 116.25 128.06 1i1s h VAL 49 Ca 0.17 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1i1s h VAL 49 Cb 0.32 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1i1s h VAL 49 CO 0.00 0.15 0.13 -1.13 0.02 0.00 0.00 177.57 176.75 1i1s h ASN 50 N 0.81 0.07 -0.57 0.57 -0.73 -1.39 -2.45 115.58 111.88 1i1s h ASN 50 Ca 0.22 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.44 1i1s h ASN 50 Cb -0.08 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.58 1i1s h ASN 50 CO -0.05 0.06 0.24 -1.28 -0.37 0.00 0.00 177.43 176.04 1i1s h SER 51 N 0.28 0.78 -0.28 1.15 0.87 -0.50 -2.78 113.55 113.07 1i1s h SER 51 Ca 0.26 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 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 0.72 -0.12 0.78 -0.53 0.00 0.00 176.83 177.38 1i1s h ASN 52 N 0.78 0.58 -0.09 6.23 2.35 0.26 0.48 115.58 126.17 1i1s h ASN 52 Ca 0.19 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1i1s h ASN 52 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1i1s h ASN 52 CO -0.02 0.85 0.03 0.40 -1.65 0.00 0.00 177.43 177.04 1i1s h ILE 53 N 0.31 0.98 -0.50 2.81 2.04 -1.52 -2.11 117.51 119.52 1i1s h ILE 53 Ca 0.06 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1i1s h ILE 53 Cb 0.62 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1i1s h ILE 53 CO 0.04 0.01 0.30 1.23 0.00 0.00 0.00 178.15 179.73 1i1s h GLY 54 N 0.07 0.70 1.47 5.37 0.00 -1.19 -0.78 103.07 108.72 1i1s h GLY 54 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1i1s h GLY 54 CO -0.04 0.20 -0.29 -0.24 0.00 0.00 0.00 176.54 176.17 1i1s h VAL 55 N 0.60 1.28 -0.42 4.60 3.04 0.08 0.58 116.25 126.02 1i1s h VAL 55 Ca 0.20 -1.39 0.06 0.00 -1.01 0.00 0.00 66.70 64.56 1i1s h VAL 55 Cb 0.01 1.37 -0.05 0.00 -2.01 0.00 0.00 31.29 30.60 1i1s h VAL 55 CO -0.08 0.45 0.10 -0.07 -1.01 0.00 0.00 177.57 176.96 1i1s h LEU 56 N 0.52 0.05 -0.76 3.16 3.38 -1.31 -2.61 115.31 117.75 1i1s h LEU 56 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i1s h LEU 56 Cb 0.77 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1i1s h LEU 56 CO 0.06 0.06 0.47 0.40 0.09 0.00 0.00 178.44 179.53 1i1s h ILE 57 N 0.24 1.21 0.00 1.22 1.08 0.96 0.75 117.51 122.98 1i1s h ILE 57 Ca 0.20 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1i1s h ILE 57 Cb 0.24 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 1i1s h ILE 57 CO -0.25 0.21 -0.38 0.07 -0.69 0.00 0.00 178.15 177.12 1i1s h LYS 58 N 1.03 0.00 -0.03 2.37 2.10 0.06 -2.37 116.57 119.72 1i1s h LYS 58 Ca 0.27 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.87 1i1s h LYS 58 Cb -0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1i1s h LYS 58 CO -0.05 0.38 -0.18 0.87 -2.00 0.00 0.00 179.45 178.47 1i1s h LYS 59 N 0.00 0.17 -3.59 0.07 1.57 -1.14 -3.49 116.57 110.16 1i1s h LYS 59 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1i1s h LYS 59 Cb 0.83 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1i1s h LYS 59 CO 0.05 0.81 -0.48 0.41 -0.57 0.00 0.00 179.45 179.67 1i1s n GLY 60 N 0.75 -3.64 3.15 3.86 0.00 -0.01 -5.06 105.19 104.24 1i1s n GLY 60 Ca -0.09 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.21 -1.41 -0.00 0.99 2.34 0.24 -4.94 118.68 115.69 1i1s s LEU 61 Ca -0.08 -0.03 -0.12 0.00 0.06 0.00 0.00 54.13 53.96 1i1s s LEU 61 Cb 0.01 1.86 0.01 0.00 -0.56 0.00 0.00 46.19 47.51 1i1s s LEU 61 CO 0.24 -0.23 0.24 0.54 -1.06 0.00 0.00 176.35 176.07 1i1s s VAL 62 N 2.63 0.07 -0.21 1.48 0.11 -1.14 -4.63 120.40 118.71 1i1s s VAL 62 Ca 0.14 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.52 1i1s s VAL 62 Cb -0.07 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1i1s s VAL 62 CO -0.22 -0.33 0.08 -1.61 -3.33 0.00 0.00 175.10 169.70 1i1s s GLU 63 N -1.49 3.88 -0.26 1.54 2.02 0.15 -4.01 118.70 120.53 1i1s s GLU 63 Ca -0.13 -0.38 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 1i1s s GLU 63 Cb -0.06 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.90 1i1s s GLU 63 CO 0.02 0.11 1.02 0.21 0.02 0.00 0.00 175.26 176.64 1i1s s LYS 64 N 0.83 4.18 -0.32 1.61 2.20 -1.26 -0.71 119.74 126.27 1i1s s LYS 64 Ca 0.04 1.19 -0.01 0.00 -0.36 0.00 0.00 55.97 56.84 1i1s s LYS 64 Cb -0.13 -3.67 0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1i1s s LYS 64 CO 0.02 -0.70 0.03 0.45 -0.36 0.00 0.00 175.35 174.80 1i1s s SER 65 N 1.37 4.89 -0.85 1.43 0.15 0.11 -4.94 113.70 115.87 1i1s s SER 65 Ca 0.43 -1.55 -0.10 0.00 0.70 0.00 0.00 55.95 55.43 1i1s s SER 65 Cb -0.14 -1.71 0.22 0.00 -1.71 0.00 0.00 66.02 62.68 1i1s s SER 65 CO 0.09 -0.32 0.77 -0.83 1.20 0.00 0.00 173.24 174.15 1i1s s GLY 66 N 1.31 2.77 -0.42 9.45 0.00 -1.26 -0.39 107.32 118.78 1i1s s GLY 66 Ca -0.01 -3.45 0.09 0.00 0.00 0.00 0.00 44.72 41.34 1i1s s GLY 66 CO -0.03 1.24 0.88 1.22 0.00 0.00 0.00 173.10 176.41 1i1s n ASP 67 N 3.51 -0.90 -3.64 1.64 8.00 -1.26 -5.15 116.55 118.74 1i1s n ASP 67 Ca 0.15 -3.29 -0.11 0.00 0.71 0.00 0.00 54.79 52.25 1i1s n ASP 67 Cb 0.43 0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 42.15 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 -1.76 0.96 -0.13 0.44 0.00 0.48 -4.76 107.32 102.55 1i1s s GLY 68 Ca 0.31 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 1i1s s GLY 68 CO -0.09 -0.81 0.13 1.08 0.00 0.00 0.00 173.10 173.42 1i1s s LEU 69 N -3.12 4.31 -0.03 0.66 1.43 -1.25 0.09 118.68 120.77 1i1s s LEU 69 Ca 0.26 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 1i1s s LEU 69 Cb -0.00 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1i1s s LEU 69 CO 0.14 0.37 0.44 0.27 0.23 0.00 0.00 176.35 177.80 1i1s s ILE 70 N -0.80 0.04 0.21 -0.59 -4.36 0.11 -3.79 121.20 112.02 1i1s s ILE 70 Ca 0.14 -0.30 -0.04 0.00 -0.26 0.00 0.00 60.65 60.19 1i1s s ILE 70 Cb -0.12 -0.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 1i1s s ILE 70 CO 0.03 -0.16 0.45 0.27 0.24 0.00 0.00 174.94 175.77 1i1s s ILE 71 N -1.22 5.11 0.97 8.37 -4.36 -1.26 0.30 121.20 129.12 1i1s s ILE 71 Ca -0.12 -0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.08 1i1s s ILE 71 Cb -0.03 -3.69 0.19 0.00 1.25 0.00 0.00 42.46 40.18 1i1s s ILE 71 CO 0.06 -0.14 1.25 0.42 0.24 0.00 0.00 174.94 176.78 1i1s s THR 72 N -1.86 1.94 0.47 8.37 -4.23 -1.26 -4.75 115.64 114.32 1i1s s THR 72 Ca 0.42 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.14 1i1s s THR 72 Cb -0.11 -2.90 0.39 0.00 1.34 0.00 0.00 72.50 71.22 1i1s s THR 72 CO 0.27 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.51 1i1s h GLY 73 N -1.70 0.41 0.69 3.99 0.00 -1.99 -2.14 103.07 102.33 1i1s h GLY 73 Ca -0.45 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1i1s h GLY 73 CO 0.43 0.02 -0.11 0.83 0.00 0.00 0.00 176.54 177.72 1i1s h GLU 74 N 0.23 -0.16 -0.35 4.80 5.08 -1.97 -1.23 114.58 120.98 1i1s h GLU 74 Ca 0.35 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1i1s h GLU 74 Cb 1.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1i1s h GLU 74 CO -0.07 -0.11 0.14 0.00 -1.00 0.00 0.00 179.01 177.97 1i1s h ALA 75 N 0.83 0.41 -0.82 3.43 0.00 -1.82 -2.74 119.26 118.54 1i1s h ALA 75 Ca 0.05 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1i1s h ALA 75 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1i1s h ALA 75 CO -0.13 -0.25 0.54 1.96 0.00 0.00 0.00 179.25 181.37 1i1s h GLN 76 N 0.30 0.55 -0.27 0.00 4.20 -0.63 0.60 115.11 119.85 1i1s h GLN 76 Ca 0.15 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 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 0.36 -0.05 0.22 -0.67 0.00 0.00 178.83 178.55 1i1s h ASP 77 N 0.57 0.52 -0.25 1.46 1.82 -1.12 -2.41 116.42 117.01 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 40.62 1i1s h ASP 77 CO -0.16 0.75 0.11 0.40 -1.61 0.00 0.00 179.24 178.73 1i1s h ILE 78 N 0.28 1.16 -0.31 2.25 1.08 0.27 -1.28 117.51 120.95 1i1s h ILE 78 Ca 0.07 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 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 0.12 0.40 -0.69 0.00 0.00 178.15 178.16 1i1s h ILE 79 N 0.26 1.19 -0.40 -0.67 1.08 -0.42 0.42 117.51 118.96 1i1s h ILE 79 Ca 0.08 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 1i1s h ILE 79 Cb 0.15 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1i1s h ILE 79 CO -0.01 0.20 0.23 0.28 -0.69 0.00 0.00 178.15 178.16 1i1s h SER 80 N 0.35 0.37 -0.24 1.72 0.02 -1.33 0.20 113.55 114.63 1i1s h SER 80 Ca 0.10 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1i1s h SER 80 Cb 0.20 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1i1s h SER 80 CO -0.01 0.27 -0.10 -1.13 -1.14 0.00 0.00 176.83 174.72 1i1s h ASN 81 N 0.47 0.51 -0.15 3.07 -0.73 -1.08 -2.73 115.58 114.93 1i1s h ASN 81 Ca 0.16 -0.40 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 1i1s h ASN 81 Cb 0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1i1s h ASN 81 CO -0.08 0.79 -0.00 0.00 -0.37 0.00 0.00 177.43 177.77 1i1s h ALA 82 N 0.73 0.20 -0.93 1.57 0.00 0.04 -0.65 119.26 120.21 1i1s h ALA 82 Ca 0.06 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1i1s h ALA 82 Cb 0.60 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1i1s h ALA 82 CO 0.03 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.79 1i1s h ALA 83 N 0.76 1.66 -0.69 0.00 0.00 -0.70 0.48 119.26 120.77 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 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1i1s h ALA 83 CO 0.01 0.12 0.36 1.15 0.00 0.00 0.00 179.25 180.88 1i1s h THR 84 N 0.86 1.21 -0.68 0.00 2.02 -1.13 0.57 112.91 115.77 1i1s h THR 84 Ca 0.46 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1i1s h THR 84 Cb 0.54 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1i1s h THR 84 CO -0.22 0.24 0.17 -0.07 0.37 0.00 0.00 175.52 176.02 1i1s h LEU 85 N 0.97 1.02 -0.71 2.58 3.38 0.14 0.27 115.31 122.95 1i1s h LEU 85 Ca 0.24 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1i1s h LEU 85 Cb 0.06 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.45 1i1s h LEU 85 CO -0.04 0.97 0.26 0.22 0.09 0.00 0.00 178.44 179.95 1i1s h TYR 86 N 1.03 0.44 -0.51 1.13 5.03 -0.38 -3.15 116.97 120.56 1i1s h TYR 86 Ca 0.22 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1i1s h TYR 86 Cb 0.35 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 1i1s h TYR 86 CO 0.03 0.05 0.33 0.00 -1.32 0.00 0.00 178.16 177.25 1i1s h ALA 87 N 1.52 0.65 -0.72 1.82 0.00 0.35 0.43 119.26 123.31 1i1s h ALA 87 Ca 0.38 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1i1s h ALA 87 Cb 0.57 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1i1s h ALA 87 CO -0.39 0.10 0.44 -0.56 0.00 0.00 0.00 179.25 178.84 1i1s h GLN 88 N 0.69 0.82 0.00 0.00 3.07 -0.88 -0.69 115.11 118.11 1i1s h GLN 88 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1i1s h GLN 88 Cb -0.07 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.31 1i1s h GLN 88 CO -0.04 0.54 -0.46 0.39 0.09 0.00 0.00 178.83 179.35 1i1s n GLU 89 N -4.68 0.37 0.18 0.06 1.02 -1.08 -4.56 120.64 111.95 1i1s n GLU 89 Ca 0.09 0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 57.51 1i1s n GLU 89 Cb 0.12 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.81 -0.35 -4.75 1.62 -1.24 -0.26 -3.47 115.58 106.32 1i1s h ASN 90 Ca 0.00 -0.04 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1i1s h ASN 90 Cb 0.46 0.09 -0.12 0.00 0.73 0.00 0.00 38.32 39.48 1i1s h ASN 90 CO 0.00 -0.19 -1.41 0.00 -1.29 0.00 0.00 177.43 174.54 1i1s n ALA 91 N -2.31 -3.65 0.28 1.57 0.00 -0.27 -4.67 120.51 111.46 1i1s n ALA 91 Ca -0.10 2.14 -0.14 0.00 0.00 0.00 0.00 53.44 55.34 1i1s n ALA 91 Cb 0.21 -4.18 -0.07 0.00 0.00 0.00 0.00 19.45 15.40 1i1s n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1i1s h PRO 92 N 3.59 -0.71 -2.01 0.00 0.11 -1.90 -3.36 132.00 127.70 1i1s h PRO 92 Ca -0.50 0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 1i1s h PRO 92 Cb 1.12 0.16 -0.41 0.00 0.11 0.00 0.00 31.00 31.99 1i1s h PRO 92 CO 0.01 -0.41 -1.06 0.39 -0.21 0.00 0.00 178.00 176.73 1i1s n GLU 93 N -5.31 1.57 0.09 1.05 1.02 -1.26 -4.62 120.64 113.18 1i1s n GLU 93 Ca -0.11 -3.75 0.00 0.00 -0.02 0.00 0.00 57.16 53.28 1i1s n GLU 93 Cb 0.33 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1i1s n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i1s n LEU 94 N 0.12 -1.55 0.05 -4.62 4.77 -1.26 -5.06 117.00 109.44 1i1s n LEU 94 Ca 0.26 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1i1s n LEU 94 Cb 0.60 1.68 0.00 0.00 -2.33 0.00 0.00 43.42 43.38 1i1s n LEU 94 CO 0.25 -0.06 0.00 0.18 -1.33 0.00 0.00 177.39 176.43 1i1s n LEU 95 N -2.77 0.19 0.00 2.23 7.99 -1.26 -5.10 117.00 118.28 1i1s n LEU 95 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1i1s n LEU 95 Cb 0.00 0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1i1s n LEU 95 CO 0.00 -0.64 0.00 1.17 -1.51 0.00 0.00 177.39 176.41