#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1c s GLN 3 N 0.00 3.66 0.02 5.55 0.74 -1.26 -3.25 119.66 125.12 1k1c s GLN 3 Ca 0.00 0.10 0.08 0.00 0.05 0.00 0.00 55.36 55.59 1k1c s GLN 3 Cb 0.00 -3.83 -0.02 0.00 1.10 0.00 0.00 33.01 30.26 1k1c s GLN 3 CO 0.00 -0.82 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.04 1k1c s GLN 4 N 2.89 1.67 -0.07 1.67 -1.52 -0.04 -4.91 119.66 119.35 1k1c s GLN 4 Ca 0.27 -0.94 -0.13 0.00 -1.95 0.00 0.00 55.36 52.61 1k1c s GLN 4 Cb -0.14 -1.74 0.03 0.00 -0.22 0.00 0.00 33.01 30.94 1k1c s GLN 4 CO 0.16 0.46 0.32 -1.59 -0.25 0.00 0.00 175.29 174.40 1k1c s LYS 5 N -0.96 0.52 -0.09 2.91 0.00 -1.26 0.43 119.74 121.29 1k1c s LYS 5 Ca 0.09 0.16 0.03 0.00 0.00 0.00 0.00 55.97 56.25 1k1c s LYS 5 Cb -0.09 0.24 0.01 0.00 0.00 0.00 0.00 37.83 37.99 1k1c s LYS 5 CO 0.01 -0.11 -0.17 0.14 0.00 0.00 0.00 175.35 175.22 1k1c s VAL 6 N -0.52 1.58 0.47 1.79 -7.23 0.37 -4.85 120.40 112.00 1k1c s VAL 6 Ca -0.06 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1k1c s VAL 6 Cb -0.04 -1.41 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 1k1c s VAL 6 CO 0.02 0.45 0.84 -0.70 -0.31 0.00 0.00 175.10 175.41 1k1c s GLU 7 N 0.69 3.74 0.14 4.82 2.12 -1.26 -0.15 118.70 128.80 1k1c s GLU 7 Ca -0.13 0.54 -0.19 0.00 0.36 0.00 0.00 54.97 55.55 1k1c s GLU 7 Cb -0.16 -2.30 0.05 0.00 0.26 0.00 0.00 34.13 31.97 1k1c s GLU 7 CO 0.03 -0.18 0.48 0.54 -0.54 0.00 0.00 175.26 175.59 1k1c s VAL 8 N -2.59 0.04 -0.13 3.70 0.11 0.16 -4.90 120.40 116.79 1k1c s VAL 8 Ca 0.52 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 1k1c s VAL 8 Cb -0.10 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1k1c s VAL 8 CO 0.37 -0.20 0.10 -0.60 -3.33 0.00 0.00 175.10 171.44 1k1c s ARG 9 N -3.79 3.54 -0.70 1.54 3.52 -1.26 0.37 118.95 122.17 1k1c s ARG 9 Ca 0.02 -0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.13 1k1c s ARG 9 Cb 0.01 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.19 1k1c s ARG 9 CO -0.12 0.62 2.14 -0.51 -0.81 0.00 0.00 175.30 176.61 1k1c s LEU 10 N -0.58 3.19 0.11 -0.88 2.01 0.10 -3.76 118.68 118.87 1k1c s LEU 10 Ca 0.12 0.19 -0.13 0.00 0.01 0.00 0.00 54.13 54.32 1k1c s LEU 10 Cb -0.12 -2.53 -0.11 0.00 0.01 0.00 0.00 46.19 43.44 1k1c s LEU 10 CO 0.02 -2.93 1.38 0.50 1.01 0.00 0.00 176.35 176.33 1k1c h LYS 11 N 14.66 0.82 0.52 1.70 3.11 -1.54 0.30 116.57 136.14 1k1c h LYS 11 Ca -0.11 -0.54 -0.03 0.00 -2.81 0.00 0.00 60.65 57.17 1k1c h LYS 11 Cb 1.11 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 32.42 1k1c h LYS 11 CO 1.16 1.17 -0.25 1.79 -2.81 0.00 0.00 179.45 180.51 1k1c h THR 12 N 0.59 0.00 -2.36 1.00 1.35 -1.35 -3.46 112.91 108.68 1k1c h THR 12 Ca 0.01 -0.29 -0.18 0.00 -0.55 0.00 0.00 66.41 65.39 1k1c h THR 12 Cb 1.15 0.00 0.03 0.00 -1.73 0.00 0.00 68.15 67.61 1k1c h THR 12 CO 0.12 0.00 -0.28 0.61 -0.25 0.00 0.00 175.52 175.72 1k1c n GLY 13 N -0.32 0.15 4.17 5.82 0.00 -1.21 -4.32 105.19 109.48 1k1c n GLY 13 Ca -0.09 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1k1c n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k1c n LEU 14 N -2.00 -0.54 -2.80 0.99 4.32 -0.80 -3.52 117.00 112.65 1k1c n LEU 14 Ca -0.05 -1.24 -0.29 0.00 -0.02 0.00 0.00 56.01 54.42 1k1c n LEU 14 Cb 0.55 -1.51 -0.07 0.00 -1.62 0.00 0.00 43.42 40.76 1k1c n LEU 14 CO 0.22 0.61 2.40 0.00 -1.22 0.00 0.00 177.39 179.40 1k1c n GLN 15 N -4.66 3.13 0.00 3.23 6.02 -1.26 -4.47 117.38 119.36 1k1c n GLN 15 Ca -0.22 -2.05 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 1k1c n GLN 15 Cb 0.61 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 29.45 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k1c n ALA 16 N 2.52 0.00 0.02 -1.58 0.00 -1.26 -4.58 120.51 115.63 1k1c n ALA 16 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.03 1k1c n ALA 16 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1k1c n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k1c h ARG 17 N 0.00 -0.06 -0.35 0.00 3.08 -1.99 0.31 114.38 115.37 1k1c h ARG 17 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1k1c h ARG 17 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1k1c h ARG 17 CO 0.00 -0.04 0.19 -1.00 -1.07 0.00 0.00 179.97 178.05 1k1c h PRO 18 N -0.09 0.38 0.00 0.04 0.13 -1.93 -2.43 132.00 128.09 1k1c h PRO 18 Ca -0.01 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1k1c h PRO 18 Cb 0.05 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1k1c h PRO 18 CO 0.01 0.25 -0.08 0.00 -0.23 0.00 0.00 178.00 177.96 1k1c h ALA 19 N 1.17 1.48 -0.49 -0.56 0.00 -1.82 0.13 119.26 119.16 1k1c h ALA 19 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k1c h ALA 19 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1k1c h ALA 19 CO -0.08 0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.59 1k1c h ALA 20 N 1.92 0.62 -0.20 0.00 0.00 0.15 0.24 119.26 121.99 1k1c h ALA 20 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k1c h ALA 20 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1k1c h ALA 20 CO 0.01 0.06 0.13 1.25 0.00 0.00 0.00 179.25 180.70 1k1c h LEU 21 N 0.66 0.23 0.77 0.00 7.12 -0.83 0.17 115.31 123.42 1k1c h LEU 21 Ca 0.18 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 1k1c h LEU 21 Cb -0.07 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.00 1k1c h LEU 21 CO -0.04 0.19 -0.49 -0.26 -0.13 0.00 0.00 178.44 177.70 1k1c h PHE 22 N 0.25 -1.32 -0.70 1.25 0.04 -0.37 0.74 116.94 116.84 1k1c h PHE 22 Ca 0.07 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.94 1k1c h PHE 22 Cb -0.01 0.47 -0.08 0.00 2.20 0.00 0.00 35.95 38.54 1k1c h PHE 22 CO -0.06 -0.73 0.30 0.28 -0.60 0.00 0.00 178.31 177.51 1k1c h VAL 23 N -1.18 0.77 -0.55 -0.55 2.07 -0.54 0.15 116.25 116.42 1k1c h VAL 23 Ca -0.10 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1k1c h VAL 23 Cb 0.95 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1k1c h VAL 23 CO 0.09 0.09 -0.03 0.06 0.02 0.00 0.00 177.57 177.80 1k1c h GLN 24 N 0.50 0.98 0.12 1.57 3.07 -0.35 0.20 115.11 121.21 1k1c h GLN 24 Ca 0.36 -0.33 -0.01 0.00 0.09 0.00 0.00 58.65 58.77 1k1c h GLN 24 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1k1c h GLN 24 CO -0.32 1.00 -0.06 0.93 0.09 0.00 0.00 178.83 180.47 1k1c h GLU 25 N 0.86 -0.16 -0.89 0.06 4.39 -0.30 0.39 114.58 118.93 1k1c h GLU 25 Ca 0.15 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.10 1k1c h GLU 25 Cb 0.58 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.11 1k1c h GLU 25 CO 0.03 0.29 0.14 0.00 -1.16 0.00 0.00 179.01 178.32 1k1c h ALA 26 N 0.05 1.18 -0.59 3.43 0.00 -0.72 0.40 119.26 123.01 1k1c h ALA 26 Ca -0.02 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1k1c h ALA 26 Cb 0.52 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1k1c h ALA 26 CO 0.03 -0.51 0.06 -0.91 0.00 0.00 0.00 179.25 177.92 1k1c h ASN 27 N 0.12 0.94 -0.29 0.00 2.35 -0.34 -3.11 115.58 115.26 1k1c h ASN 27 Ca 0.55 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1k1c h ASN 27 Cb 1.11 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1k1c h ASN 27 CO -0.74 0.96 0.01 0.03 -1.65 0.00 0.00 177.43 176.05 1k1c h ARG 28 N 0.92 0.51 -6.10 0.81 3.08 0.38 -3.41 114.38 110.57 1k1c h ARG 28 Ca 0.18 -0.16 -0.74 0.00 0.07 0.00 0.00 59.98 59.33 1k1c h ARG 28 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1k1c h ARG 28 CO 0.02 0.65 1.01 1.19 -1.07 0.00 0.00 179.97 181.76 1k1c n PHE 29 N -4.59 1.90 -1.14 3.04 3.72 0.24 -4.80 117.46 115.82 1k1c n PHE 29 Ca -0.03 0.55 -0.27 0.00 -0.05 0.00 0.00 57.45 57.66 1k1c n PHE 29 Cb 0.25 -2.44 -0.08 0.00 -0.94 0.00 0.00 39.48 36.26 1k1c n PHE 29 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1k1c n THR 30 N 5.14 3.65 -4.05 4.37 -1.04 -1.26 -4.80 114.28 116.29 1k1c n THR 30 Ca 0.32 -2.06 -0.13 0.00 -2.04 0.00 0.00 64.05 60.13 1k1c n THR 30 Cb 0.12 -2.34 -0.12 0.00 -1.82 0.00 0.00 70.33 66.17 1k1c n THR 30 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k1c s SER 31 N 2.19 0.61 -1.04 8.00 0.01 -1.26 0.09 113.70 122.30 1k1c s SER 31 Ca 0.66 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 57.28 1k1c s SER 31 Cb 0.23 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1k1c s SER 31 CO -0.03 -0.16 1.72 -0.62 0.41 0.00 0.00 173.24 174.55 1k1c s ASP 32 N -1.15 5.91 0.53 2.44 2.15 0.11 -4.60 116.67 122.06 1k1c s ASP 32 Ca -0.08 -1.36 -0.15 0.00 0.43 0.00 0.00 52.55 51.39 1k1c s ASP 32 Cb -0.08 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 39.90 1k1c s ASP 32 CO -0.00 -2.07 0.98 0.68 -0.17 0.00 0.00 175.17 174.60 1k1c s VAL 33 N 7.32 4.59 0.29 1.11 -7.23 -1.26 -0.47 120.40 124.74 1k1c s VAL 33 Ca 0.58 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 1k1c s VAL 33 Cb -0.02 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1k1c s VAL 33 CO -0.01 -0.79 0.31 -0.36 -0.31 0.00 0.00 175.10 173.94 1k1c s PHE 34 N -2.74 1.25 -0.16 2.82 0.08 0.49 -0.49 117.98 119.23 1k1c s PHE 34 Ca 0.58 -1.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.18 1k1c s PHE 34 Cb -0.10 -0.40 0.07 0.00 -0.57 0.00 0.00 43.02 42.02 1k1c s PHE 34 CO 0.37 -0.89 0.36 -1.17 -0.10 0.00 0.00 175.22 173.78 1k1c s LEU 35 N -3.24 -0.28 -0.33 -0.37 0.20 0.79 -0.04 118.68 115.41 1k1c s LEU 35 Ca 0.36 0.81 0.04 0.00 0.69 0.00 0.00 54.13 56.03 1k1c s LEU 35 Cb 0.03 1.12 0.10 0.00 -0.43 0.00 0.00 46.19 47.01 1k1c s LEU 35 CO 0.19 -0.21 0.04 -1.61 -0.29 0.00 0.00 176.35 174.47 1k1c s GLU 36 N 2.05 1.50 -0.56 1.98 2.02 0.85 -0.47 118.70 126.08 1k1c s GLU 36 Ca -0.04 -1.83 -0.26 0.00 0.02 0.00 0.00 54.97 52.86 1k1c s GLU 36 Cb -0.11 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 1k1c s GLU 36 CO -0.11 -0.92 2.24 0.15 0.02 0.00 0.00 175.26 176.63 1k1c s LYS 37 N 0.93 2.23 -1.23 1.61 1.02 0.31 -0.36 119.74 124.25 1k1c s LYS 37 Ca 0.10 1.07 -0.02 0.00 0.02 0.00 0.00 55.97 57.14 1k1c s LYS 37 Cb -0.19 -4.55 0.01 0.00 -0.52 0.00 0.00 37.83 32.58 1k1c s LYS 37 CO -0.08 -3.20 0.13 -0.25 -0.92 0.00 0.00 175.35 171.02 1k1c n ASP 38 N 15.13 -4.34 0.00 2.83 8.00 0.49 -0.67 116.55 137.99 1k1c n ASP 38 Ca 0.33 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1k1c n ASP 38 Cb 0.53 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 1k1c n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k1c n GLY 39 N -0.95 2.28 3.57 0.44 0.00 -0.54 -5.03 105.19 104.96 1k1c n GLY 39 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1k1c n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1c s LYS 40 N -0.23 2.77 0.16 1.61 1.02 0.15 -4.77 119.74 120.44 1k1c s LYS 40 Ca 0.00 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.83 1k1c s LYS 40 Cb 0.00 -5.24 -0.07 0.00 -0.52 0.00 0.00 37.83 32.00 1k1c s LYS 40 CO 0.00 -3.50 0.52 0.21 -0.92 0.00 0.00 175.35 171.67 1k1c s LYS 41 N 6.23 3.89 0.07 1.68 2.36 -1.24 -0.53 119.74 132.21 1k1c s LYS 41 Ca 0.66 0.38 -0.03 0.00 -2.55 0.00 0.00 55.97 54.42 1k1c s LYS 41 Cb -0.02 -2.86 -0.03 0.00 -1.05 0.00 0.00 37.83 33.87 1k1c s LYS 41 CO 0.07 0.44 0.04 0.14 1.55 0.00 0.00 175.35 177.60 1k1c s VAL 42 N -1.56 0.19 -0.39 4.02 -7.23 0.38 -4.89 120.40 110.92 1k1c s VAL 42 Ca 0.40 -1.66 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 1k1c s VAL 42 Cb -0.14 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1k1c s VAL 42 CO 0.20 -0.84 2.03 0.21 -0.31 0.00 0.00 175.10 176.38 1k1c s ASN 43 N -2.92 5.39 0.32 4.85 3.84 -1.25 -0.15 114.94 125.02 1k1c s ASN 43 Ca 0.09 1.22 0.09 0.00 0.21 0.00 0.00 52.86 54.47 1k1c s ASN 43 Cb 0.07 -2.52 0.86 0.00 -0.55 0.00 0.00 41.25 39.12 1k1c s ASN 43 CO -0.09 -2.12 1.74 0.00 -2.79 0.00 0.00 177.10 173.84 1k1c h ALA 44 N 15.07 1.77 -0.00 1.71 0.00 -0.95 0.12 119.26 136.98 1k1c h ALA 44 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1k1c h ALA 44 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k1c h ALA 44 CO 1.07 -0.24 -0.18 0.36 0.00 0.00 0.00 179.25 180.26 1k1c n LYS 45 N -4.87 0.35 -3.28 0.00 2.85 -1.26 -3.12 118.16 108.83 1k1c n LYS 45 Ca 0.26 -0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.21 1k1c n LYS 45 Cb 0.72 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.60 1k1c n LYS 45 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1k1c s SER 46 N -2.74 5.56 0.06 -5.58 0.01 0.38 -4.85 113.70 106.53 1k1c s SER 46 Ca 0.21 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.90 1k1c s SER 46 Cb 0.19 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1k1c s SER 46 CO 0.55 -0.64 0.80 0.00 0.41 0.00 0.00 173.24 174.35 1k1c n ILE 47 N -1.71 -0.25 0.18 1.44 0.00 -1.26 -0.64 119.36 117.12 1k1c n ILE 47 Ca 0.05 1.24 0.05 0.00 0.00 0.00 0.00 62.75 64.09 1k1c n ILE 47 Cb 0.59 -1.56 0.32 0.00 0.00 0.00 0.00 39.64 38.99 1k1c n ILE 47 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1k1c h MET 48 N 0.00 0.00 0.28 9.51 2.86 -1.95 0.50 114.93 126.13 1k1c h MET 48 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1k1c h MET 48 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1k1c h MET 48 CO -0.35 0.39 -0.14 0.78 1.06 0.00 0.00 176.91 178.65 1k1c h GLY 49 N 2.09 -0.40 0.00 8.32 0.00 -0.40 0.39 103.07 113.07 1k1c h GLY 49 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1k1c h GLY 49 CO 0.05 -0.14 0.00 -0.10 0.00 0.00 0.00 176.54 176.35 1k1c n LEU 50 N -5.13 1.27 -0.33 3.11 0.00 -0.34 -0.44 117.00 115.15 1k1c n LEU 50 Ca -0.09 0.34 0.05 0.00 0.00 0.00 0.00 56.01 56.31 1k1c n LEU 50 Cb 0.25 -0.12 0.20 0.00 0.00 0.00 0.00 43.42 43.75 1k1c n LEU 50 CO 0.31 -0.12 1.19 -0.03 0.00 0.00 0.00 177.39 178.74 1k1c h MET 51 N 0.00 0.87 0.00 1.96 4.05 -0.17 0.70 114.93 122.34 1k1c h MET 51 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1k1c h MET 51 Cb 0.00 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1k1c h MET 51 CO 0.00 0.58 -0.00 0.77 0.23 0.00 0.00 176.91 178.48 1k1c h SER 52 N 0.90 0.00 0.12 1.39 0.02 -1.37 -3.37 113.55 111.24 1k1c h SER 52 Ca 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 1k1c h SER 52 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1k1c h SER 52 CO -0.26 0.01 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.31 1k1c h LEU 53 N -0.01 -0.13 -1.34 5.07 -0.00 -0.98 -3.30 115.31 114.61 1k1c h LEU 53 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 58.09 1k1c h LEU 53 Cb 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.62 1k1c h LEU 53 CO 0.00 0.03 0.61 0.00 -0.00 0.00 0.00 178.44 179.08 1k1c h ALA 54 N -1.67 2.04 0.00 1.53 0.00 -0.06 0.74 119.26 121.84 1k1c h ALA 54 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k1c h ALA 54 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k1c h ALA 54 CO 0.03 -0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.20 1k1c n VAL 55 N -4.59 0.56 -1.46 0.00 0.31 0.24 -1.90 118.33 111.48 1k1c n VAL 55 Ca 0.21 0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 64.28 1k1c n VAL 55 Cb 0.67 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 1k1c n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k1c n SER 56 N -1.35 5.35 -4.68 4.52 7.64 0.25 -4.59 113.62 120.75 1k1c n SER 56 Ca 0.07 -2.70 -0.65 0.00 1.01 0.00 0.00 58.87 56.60 1k1c n SER 56 Cb 0.16 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 61.74 1k1c n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1k1c n THR 57 N 4.65 0.01 -0.21 0.44 -1.04 -1.26 -0.19 114.28 116.68 1k1c n THR 57 Ca 0.60 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1k1c n THR 57 Cb 0.32 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1k1c n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k1c n GLY 58 N 3.36 0.67 3.80 3.41 0.00 0.11 -4.92 105.19 111.63 1k1c n GLY 58 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1k1c n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1c s THR 59 N -2.48 4.97 -0.52 2.61 2.01 0.74 -4.67 115.64 118.30 1k1c s THR 59 Ca 0.00 0.99 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1k1c s THR 59 Cb 0.00 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1k1c s THR 59 CO 0.00 0.52 0.96 -1.83 -0.69 0.00 0.00 174.62 173.57 1k1c s GLU 60 N -0.72 3.43 0.02 4.92 1.03 -1.25 -0.73 118.70 125.41 1k1c s GLU 60 Ca 0.26 -0.04 0.07 0.00 0.03 0.00 0.00 54.97 55.30 1k1c s GLU 60 Cb -0.17 -4.00 -0.02 0.00 -0.80 0.00 0.00 34.13 29.14 1k1c s GLU 60 CO 0.15 -1.39 -0.22 0.14 -1.33 0.00 0.00 175.26 172.60 1k1c s VAL 61 N 3.96 1.79 -0.24 1.83 -7.23 0.16 -0.38 120.40 120.28 1k1c s VAL 61 Ca 0.34 -1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 1k1c s VAL 61 Cb -0.11 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1k1c s VAL 61 CO 0.23 0.34 0.56 -0.89 -0.31 0.00 0.00 175.10 175.03 1k1c s THR 62 N -0.69 5.04 -0.34 5.32 2.01 0.51 -0.66 115.64 126.82 1k1c s THR 62 Ca 0.09 1.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.82 1k1c s THR 62 Cb -0.09 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1k1c s THR 62 CO 0.01 0.08 0.96 -0.76 -0.69 0.00 0.00 174.62 174.22 1k1c s LEU 63 N 2.22 3.98 0.27 4.42 2.01 0.79 -0.10 118.68 132.27 1k1c s LEU 63 Ca 0.24 0.75 0.04 0.00 0.01 0.00 0.00 54.13 55.17 1k1c s LEU 63 Cb -0.16 -3.34 -0.03 0.00 0.01 0.00 0.00 46.19 42.68 1k1c s LEU 63 CO 0.09 -0.84 0.42 -0.63 1.01 0.00 0.00 176.35 176.40 1k1c s ILE 64 N 3.48 5.21 -0.25 -0.59 1.01 0.94 -0.48 121.20 130.52 1k1c s ILE 64 Ca 0.40 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1k1c s ILE 64 Cb -0.12 -3.86 0.14 0.00 0.01 0.00 0.00 42.46 38.63 1k1c s ILE 64 CO 0.17 -0.40 0.39 0.00 0.00 0.00 0.00 174.94 175.10 1k1c s ALA 65 N -2.08 -1.14 -0.66 9.38 0.00 0.17 -0.38 121.76 127.05 1k1c s ALA 65 Ca 0.36 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1k1c s ALA 65 Cb -0.09 -1.70 0.28 0.00 0.00 0.00 0.00 23.12 21.61 1k1c s ALA 65 CO 0.31 -1.27 0.88 0.94 0.00 0.00 0.00 175.76 176.62 1k1c n GLN 66 N 5.37 2.93 -0.48 0.00 7.27 0.38 -0.86 117.38 132.00 1k1c n GLN 66 Ca -0.03 -4.73 0.00 0.00 0.07 0.00 0.00 57.00 52.30 1k1c n GLN 66 Cb 0.50 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.88 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k1c n GLY 67 N 0.51 3.36 0.36 1.69 0.00 -1.20 -0.71 105.19 109.20 1k1c n GLY 67 Ca 0.31 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1k1c n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k1c h GLU 68 N 0.00 0.84 -0.95 1.61 4.39 -0.71 0.19 114.58 119.95 1k1c h GLU 68 Ca 0.00 -0.05 -0.58 0.00 0.34 0.00 0.00 59.36 59.07 1k1c h GLU 68 Cb 0.00 -0.19 -0.29 0.00 -0.10 0.00 0.00 28.75 28.17 1k1c h GLU 68 CO 0.00 0.55 0.66 -0.25 -1.16 0.00 0.00 179.01 178.81 1k1c n ASP 69 N -4.66 5.61 -0.03 1.42 8.00 -1.26 -4.78 116.55 120.85 1k1c n ASP 69 Ca 0.21 -3.71 -0.09 0.00 0.71 0.00 0.00 54.79 51.91 1k1c n ASP 69 Cb 0.46 -0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 1k1c n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k1c h GLU 70 N 1.53 -0.22 -0.00 -1.24 9.09 -0.76 0.40 114.58 123.38 1k1c h GLU 70 Ca 0.59 0.01 0.00 0.00 0.05 0.00 0.00 59.36 60.01 1k1c h GLU 70 Cb 1.76 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.91 1k1c h GLU 70 CO 1.29 -0.14 -0.04 0.94 0.05 0.00 0.00 179.01 181.10 1k1c n GLN 71 N -5.35 0.92 0.00 1.06 -0.06 -1.26 -3.83 117.38 108.86 1k1c n GLN 71 Ca -0.02 -0.24 0.00 0.00 -2.00 0.00 0.00 57.00 54.75 1k1c n GLN 71 Cb 0.26 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 1k1c n GLN 71 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1k1c n GLU 72 N -0.83 0.00 -0.29 3.69 4.07 -0.04 -4.51 120.64 122.72 1k1c n GLU 72 Ca 0.18 0.23 -0.08 0.00 -0.06 0.00 0.00 57.16 57.44 1k1c n GLU 72 Cb 0.23 -0.68 -0.07 0.00 -0.06 0.00 0.00 31.44 30.85 1k1c n GLU 72 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k1c n ALA 73 N -1.86 -0.45 -0.28 4.31 0.00 0.12 -1.45 120.51 120.91 1k1c n ALA 73 Ca 0.00 0.59 0.07 0.00 0.00 0.00 0.00 53.44 54.10 1k1c n ALA 73 Cb 0.00 0.02 0.18 0.00 0.00 0.00 0.00 19.45 19.65 1k1c n ALA 73 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1k1c h LEU 74 N 0.00 -0.40 0.14 0.00 -0.00 -1.74 -0.21 115.31 113.09 1k1c h LEU 74 Ca 0.11 0.21 -0.19 0.00 -0.00 0.00 0.00 57.88 58.02 1k1c h LEU 74 Cb 0.29 0.38 0.02 0.00 -0.00 0.00 0.00 40.66 41.35 1k1c h LEU 74 CO -0.66 -0.21 -0.84 1.05 -0.00 0.00 0.00 178.44 177.78 1k1c h GLU 75 N 0.08 0.30 -0.26 0.17 4.11 -1.48 0.25 114.58 117.75 1k1c h GLU 75 Ca 0.44 -0.50 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1k1c h GLU 75 Cb 0.80 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1k1c h GLU 75 CO -0.72 1.24 0.05 1.57 0.07 0.00 0.00 179.01 181.22 1k1c h LYS 76 N -0.37 0.43 0.49 1.06 2.10 -1.13 0.22 116.57 119.37 1k1c h LYS 76 Ca -0.15 -0.11 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 1k1c h LYS 76 Cb 1.64 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.90 1k1c h LYS 76 CO 0.15 0.55 -0.45 -0.07 -2.00 0.00 0.00 179.45 177.62 1k1c h LEU 77 N 0.25 -1.23 -1.44 7.07 -0.00 -1.14 0.15 115.31 118.98 1k1c h LEU 77 Ca 0.08 0.10 0.08 0.00 -0.00 0.00 0.00 57.88 58.13 1k1c h LEU 77 Cb 0.32 0.40 -0.04 0.00 -0.00 0.00 0.00 40.66 41.34 1k1c h LEU 77 CO 0.00 -0.62 0.46 0.00 -0.00 0.00 0.00 178.44 178.28 1k1c h ALA 78 N -0.69 1.78 0.23 1.53 0.00 -0.90 -1.00 119.26 120.21 1k1c h ALA 78 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1k1c h ALA 78 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1k1c h ALA 78 CO -0.05 0.09 -0.11 0.00 0.00 0.00 0.00 179.25 179.19 1k1c h ALA 79 N 1.63 -0.31 -0.61 0.00 0.00 -0.08 -3.24 119.26 116.65 1k1c h ALA 79 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1k1c h ALA 79 Cb 0.35 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1k1c h ALA 79 CO -0.10 -0.64 0.30 -0.92 0.00 0.00 0.00 179.25 177.89 1k1c h TYR 80 N -0.37 0.87 -0.61 0.00 3.20 0.40 0.24 116.97 120.70 1k1c h TYR 80 Ca -0.03 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1k1c h TYR 80 Cb 0.28 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1k1c h TYR 80 CO -0.04 0.65 0.41 -0.39 -1.64 0.00 0.00 178.16 177.15 1k1c h VAL 81 N 0.83 0.98 0.06 1.81 -1.51 -1.26 -2.96 116.25 114.20 1k1c h VAL 81 Ca 0.21 -0.19 -0.37 0.00 -1.23 0.00 0.00 66.70 65.12 1k1c h VAL 81 Cb 0.10 0.36 -0.04 0.00 -2.13 0.00 0.00 31.29 29.59 1k1c h VAL 81 CO -0.03 0.10 -2.11 0.00 -1.23 0.00 0.00 177.57 174.31 1k1c n GLN 82 N -4.48 0.69 0.00 5.19 10.64 -1.13 -1.05 117.38 127.24 1k1c n GLN 82 Ca 0.09 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 1k1c n GLN 82 Cb 0.26 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 1k1c n GLN 82 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1k1c n GLU 83 N -3.60 0.00 0.00 2.61 2.13 0.84 -4.33 120.64 118.29 1k1c n GLU 83 Ca -0.38 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.44 1k1c n GLU 83 Cb 0.97 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.68 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1k1c n GLU 84 N -1.48 0.00 0.00 5.31 0.00 -1.26 -5.07 120.64 118.14 1k1c n GLU 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k1c n GLU 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46