#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 4.09 0.18 1.45 -0.21 -1.26 -3.89 119.66 120.01 1k1c s GLN 3 Ca 0.00 -0.27 0.10 0.00 0.02 0.00 0.00 55.36 55.21 1k1c s GLN 3 Cb 0.00 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1k1c s GLN 3 CO 0.00 0.19 -0.21 -1.14 -2.12 0.00 0.00 175.29 172.01 1k1c s GLN 4 N 0.66 1.39 -0.02 2.91 -0.44 -0.27 -4.95 119.66 118.93 1k1c s GLN 4 Ca 0.07 -1.45 -0.13 0.00 -2.50 0.00 0.00 55.36 51.35 1k1c s GLN 4 Cb -0.12 -1.59 0.02 0.00 -1.64 0.00 0.00 33.01 29.68 1k1c s GLN 4 CO 0.01 0.34 0.28 -1.59 0.50 0.00 0.00 175.29 174.83 1k1c s LYS 5 N -2.68 0.61 0.02 1.67 0.00 -1.25 -0.21 119.74 117.89 1k1c s LYS 5 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 55.97 56.01 1k1c s LYS 5 Cb -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 37.83 38.01 1k1c s LYS 5 CO 0.08 -0.16 -0.07 0.14 0.00 0.00 0.00 175.35 175.34 1k1c s VAL 6 N -1.18 0.56 0.29 1.79 -7.23 0.40 -4.83 120.40 110.20 1k1c s VAL 6 Ca -0.12 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 59.30 1k1c s VAL 6 Cb -0.05 -0.53 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 1k1c s VAL 6 CO 0.03 -0.06 0.67 -1.61 -0.31 0.00 0.00 175.10 173.82 1k1c s GLU 7 N -0.74 3.91 -0.07 4.82 2.02 -1.24 0.28 118.70 127.67 1k1c s GLU 7 Ca -0.02 0.51 -0.10 0.00 0.02 0.00 0.00 54.97 55.38 1k1c s GLU 7 Cb -0.06 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1k1c s GLU 7 CO 0.00 0.20 0.25 0.14 0.02 0.00 0.00 175.26 175.87 1k1c s VAL 8 N -1.95 0.02 0.08 2.63 -7.23 0.11 -4.78 120.40 109.28 1k1c s VAL 8 Ca 0.51 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 1k1c s VAL 8 Cb -0.11 -0.42 -0.06 0.00 0.56 0.00 0.00 36.38 36.35 1k1c s VAL 8 CO 0.20 -0.11 1.13 -0.60 -0.31 0.00 0.00 175.10 175.41 1k1c s ARG 9 N -0.36 4.50 -1.14 4.82 3.00 -1.25 0.57 118.95 129.09 1k1c s ARG 9 Ca -0.05 1.68 -0.24 0.00 -1.00 0.00 0.00 55.73 56.12 1k1c s ARG 9 Cb -0.03 -3.35 -0.14 0.00 0.00 0.00 0.00 34.95 31.42 1k1c s ARG 9 CO 0.01 -0.12 2.01 -1.17 0.00 0.00 0.00 175.30 176.03 1k1c s LEU 10 N 0.66 2.77 0.16 -0.88 1.98 0.58 -3.68 118.68 120.27 1k1c s LEU 10 Ca 0.55 -1.39 0.24 0.00 -2.89 0.00 0.00 54.13 50.63 1k1c s LEU 10 Cb -0.28 -2.59 0.91 0.00 0.66 0.00 0.00 46.19 44.89 1k1c s LEU 10 CO 0.30 -3.76 1.72 1.17 -1.89 0.00 0.00 176.35 173.89 1k1c n LYS 11 N 8.24 0.16 0.00 1.98 0.00 -0.85 -0.49 118.16 127.19 1k1c n LYS 11 Ca 0.43 0.27 0.06 0.00 0.00 0.00 0.00 58.31 59.08 1k1c n LYS 11 Cb 0.47 -1.74 -0.04 0.00 0.00 0.00 0.00 35.03 33.72 1k1c n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1k1c n THR 12 N -2.02 0.00 -2.94 3.15 -2.24 -1.05 -4.62 114.28 104.57 1k1c n THR 12 Ca 0.04 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 1k1c n THR 12 Cb 0.30 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 1k1c n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k1c n GLY 13 N 1.20 -0.13 4.07 3.38 0.00 -1.08 -1.71 105.19 110.93 1k1c n GLY 13 Ca 0.04 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.17 -0.39 0.00 0.99 7.99 -1.24 -4.14 117.00 118.04 1k1c n LEU 14 Ca -0.01 -1.14 0.00 0.00 -0.01 0.00 0.00 56.01 54.85 1k1c n LEU 14 Cb 0.22 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.15 1k1c n LEU 14 CO 0.40 0.60 0.00 0.00 -1.51 0.00 0.00 177.39 176.88 1k1c n GLN 15 N -4.42 1.59 -1.68 3.23 6.02 -0.69 -4.51 117.38 116.93 1k1c n GLN 15 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.65 1k1c n GLN 15 Cb 0.54 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.70 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k1c s ALA 16 N -2.00 0.71 0.00 -1.58 0.00 -1.26 -1.98 121.76 115.65 1k1c s ALA 16 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1k1c s ALA 16 Cb 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.45 1k1c s ALA 16 CO 0.00 -6.48 0.00 0.54 0.00 0.00 0.00 175.76 169.82 1k1c n ARG 17 N 8.32 0.00 -0.02 0.00 5.12 -1.26 -4.88 116.66 123.94 1k1c n ARG 17 Ca 0.43 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 56.18 1k1c n ARG 17 Cb 0.46 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.67 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1k1c h PRO 18 N 0.00 0.52 -0.37 5.56 0.13 -1.83 0.24 132.00 136.25 1k1c h PRO 18 Ca 0.00 -0.43 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1k1c h PRO 18 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1k1c h PRO 18 CO 0.00 1.07 0.03 0.00 -0.23 0.00 0.00 178.00 178.86 1k1c h ALA 19 N 0.46 0.49 -0.35 -0.56 0.00 -1.56 0.29 119.26 118.03 1k1c h ALA 19 Ca -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1k1c h ALA 19 Cb 1.18 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1k1c h ALA 19 CO 0.11 0.23 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 1k1c h ALA 20 N 0.89 0.17 0.16 0.00 0.00 -1.57 0.23 119.26 119.14 1k1c h ALA 20 Ca 0.11 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1k1c h ALA 20 Cb 0.41 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1k1c h ALA 20 CO 0.01 -0.50 -0.51 1.25 0.00 0.00 0.00 179.25 179.50 1k1c h LEU 21 N -0.06 -1.51 0.00 0.00 6.46 -0.15 0.21 115.31 120.26 1k1c h LEU 21 Ca 0.17 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1k1c h LEU 21 Cb 0.32 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1k1c h LEU 21 CO -0.39 -0.56 0.00 0.33 -0.62 0.00 0.00 178.44 177.19 1k1c n PHE 22 N -5.49 0.00 -0.31 1.25 -0.00 0.06 0.16 117.46 113.13 1k1c n PHE 22 Ca -0.09 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.51 1k1c n PHE 22 Cb 0.42 -0.40 0.32 0.00 -0.00 0.00 0.00 39.48 39.82 1k1c n PHE 22 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1k1c h VAL 23 N 0.00 0.32 -0.33 -2.13 2.07 -0.49 -1.09 116.25 114.60 1k1c h VAL 23 Ca 0.00 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1k1c h VAL 23 Cb 0.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1k1c h VAL 23 CO 0.00 0.04 -0.45 -0.61 0.02 0.00 0.00 177.57 176.58 1k1c h GLN 24 N 0.24 0.89 -0.02 1.57 4.15 0.26 0.66 115.11 122.86 1k1c h GLN 24 Ca 0.58 -0.51 -0.23 0.00 0.77 0.00 0.00 58.65 59.26 1k1c h GLN 24 Cb 1.20 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.94 1k1c h GLN 24 CO -0.64 1.16 -0.93 1.05 -1.93 0.00 0.00 178.83 177.53 1k1c h GLU 25 N 0.68 0.50 0.35 1.69 4.11 0.53 0.54 114.58 122.98 1k1c h GLU 25 Ca 0.04 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1k1c h GLU 25 Cb 1.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1k1c h GLU 25 CO 0.11 1.15 -0.17 0.00 0.07 0.00 0.00 179.01 180.17 1k1c h ALA 26 N 0.67 -0.47 -0.72 1.06 0.00 -1.24 -3.13 119.26 115.43 1k1c h ALA 26 Ca -0.08 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.87 1k1c h ALA 26 Cb 1.56 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.42 1k1c h ALA 26 CO 0.17 -0.75 0.06 -0.97 0.00 0.00 0.00 179.25 177.76 1k1c h ASN 27 N -0.51 -0.21 0.23 0.00 -0.73 -0.76 -2.10 115.58 111.50 1k1c h ASN 27 Ca -0.05 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1k1c h ASN 27 Cb 0.38 0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1k1c h ASN 27 CO 0.08 -0.12 0.00 -2.11 -0.37 0.00 0.00 177.43 174.91 1k1c n ARG 28 N -5.27 0.02 0.00 6.67 -4.01 0.19 -3.63 116.66 110.63 1k1c n ARG 28 Ca 0.13 0.34 0.00 0.00 -1.04 0.00 0.00 57.85 57.28 1k1c n ARG 28 Cb 0.45 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.37 1k1c n ARG 28 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 1k1c n PHE 29 N -1.46 0.00 0.13 2.89 3.72 -0.79 -5.06 117.46 116.89 1k1c n PHE 29 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1k1c n PHE 29 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1k1c n PHE 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1k1c n THR 30 N 0.00 0.00 -0.65 4.37 -2.24 -1.24 -4.93 114.28 109.60 1k1c n THR 30 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1k1c n THR 30 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1k1c n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k1c n SER 31 N -3.03 -0.10 -4.60 3.42 7.64 -1.26 -4.82 113.62 110.86 1k1c n SER 31 Ca 0.00 0.50 -0.43 0.00 1.01 0.00 0.00 58.87 59.95 1k1c n SER 31 Cb 0.00 -0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 1k1c n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k1c s ASP 32 N -0.08 6.25 -0.02 6.43 2.15 0.26 -4.52 116.67 127.15 1k1c s ASP 32 Ca 0.38 1.01 -0.05 0.00 0.43 0.00 0.00 52.55 54.32 1k1c s ASP 32 Cb -0.53 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.51 1k1c s ASP 32 CO 0.25 -1.47 0.22 -0.69 -0.17 0.00 0.00 175.17 173.31 1k1c s VAL 33 N 5.70 5.38 0.35 1.11 1.01 -1.26 0.07 120.40 132.77 1k1c s VAL 33 Ca 0.66 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1k1c s VAL 33 Cb -0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1k1c s VAL 33 CO 0.32 0.39 0.19 0.49 0.00 0.00 0.00 175.10 176.50 1k1c n PHE 34 N 1.19 -0.27 -3.64 5.22 3.01 0.32 0.26 117.46 123.54 1k1c n PHE 34 Ca -0.12 -2.52 -0.01 0.00 1.01 0.00 0.00 57.45 55.81 1k1c n PHE 34 Cb 0.53 0.12 -0.04 0.00 -0.01 0.00 0.00 39.48 40.08 1k1c n PHE 34 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1k1c s LEU 35 N 0.00 -1.12 -0.73 4.37 2.96 0.12 -0.01 118.68 124.27 1k1c s LEU 35 Ca 0.27 1.55 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 1k1c s LEU 35 Cb 0.01 2.29 0.19 0.00 0.50 0.00 0.00 46.19 49.19 1k1c s LEU 35 CO 0.19 -0.22 0.59 -1.61 -1.32 0.00 0.00 176.35 173.99 1k1c s GLU 36 N 2.82 3.01 -0.54 1.98 2.02 0.47 -0.09 118.70 128.38 1k1c s GLU 36 Ca -0.06 -2.58 -0.26 0.00 0.02 0.00 0.00 54.97 52.09 1k1c s GLU 36 Cb -0.11 -4.01 -0.06 0.00 0.10 0.00 0.00 34.13 30.05 1k1c s GLU 36 CO -0.19 -1.22 2.27 0.15 0.02 0.00 0.00 175.26 176.29 1k1c s LYS 37 N -0.10 2.21 -1.23 1.61 1.02 0.33 -0.26 119.74 123.32 1k1c s LYS 37 Ca 0.18 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.34 1k1c s LYS 37 Cb -0.16 -4.55 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 1k1c s LYS 37 CO -0.06 -3.20 0.00 -0.25 -0.92 0.00 0.00 175.35 170.92 1k1c n ASP 38 N 15.26 -4.23 0.00 2.83 9.92 0.47 -0.74 116.55 140.06 1k1c n ASP 38 Ca 0.33 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1k1c n ASP 38 Cb 0.54 -3.61 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 1k1c n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k1c n GLY 39 N -0.78 1.81 3.38 0.44 0.00 -0.18 -5.03 105.19 104.83 1k1c n GLY 39 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1k1c n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k1c n LYS 40 N -0.24 2.75 -2.81 1.61 5.02 0.08 -4.77 118.16 119.80 1k1c n LYS 40 Ca 0.00 -2.92 -0.37 0.00 -2.02 0.00 0.00 58.31 53.00 1k1c n LYS 40 Cb 0.00 -3.46 -0.06 0.00 -0.02 0.00 0.00 35.03 31.49 1k1c n LYS 40 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k1c s LYS 41 N 4.46 4.58 0.28 1.97 2.20 -1.22 -0.51 119.74 131.49 1k1c s LYS 41 Ca 0.55 1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 57.32 1k1c s LYS 41 Cb 0.06 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.52 1k1c s LYS 41 CO 0.06 0.32 0.58 0.14 -0.36 0.00 0.00 175.35 176.09 1k1c s VAL 42 N -1.55 0.00 -0.66 4.02 -7.23 0.87 -4.86 120.40 110.99 1k1c s VAL 42 Ca 0.48 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 59.12 1k1c s VAL 42 Cb -0.19 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1k1c s VAL 42 CO 0.24 0.00 1.57 0.21 -0.31 0.00 0.00 175.10 176.81 1k1c s ASN 43 N -3.01 5.74 0.28 4.85 3.84 -1.26 0.12 114.94 125.51 1k1c s ASN 43 Ca 0.19 0.02 0.02 0.00 0.21 0.00 0.00 52.86 53.30 1k1c s ASN 43 Cb -0.03 -2.54 0.67 0.00 -0.55 0.00 0.00 41.25 38.80 1k1c s ASN 43 CO 0.10 -2.07 1.71 0.00 -2.79 0.00 0.00 177.10 174.04 1k1c h ALA 44 N 12.45 1.38 0.00 1.71 0.00 -0.36 0.68 119.26 135.13 1k1c h ALA 44 Ca -0.27 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 44 Cb 1.11 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k1c h ALA 44 CO 1.24 -0.29 -0.14 1.57 0.00 0.00 0.00 179.25 181.63 1k1c h LYS 45 N 0.44 0.00 -5.95 0.00 2.10 -1.83 -3.02 116.57 108.30 1k1c h LYS 45 Ca 0.53 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.56 1k1c h LYS 45 Cb 0.96 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.24 1k1c h LYS 45 CO -0.49 0.07 -0.52 -1.12 -2.00 0.00 0.00 179.45 175.39 1k1c s SER 46 N -6.19 6.20 0.00 7.07 0.01 0.20 -4.80 113.70 116.19 1k1c s SER 46 Ca 0.06 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1k1c s SER 46 Cb 0.06 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.41 1k1c s SER 46 CO 0.69 0.18 0.00 0.00 0.41 0.00 0.00 173.24 174.52 1k1c n ILE 47 N 0.40 0.00 0.09 1.44 0.00 -1.26 0.37 119.36 120.40 1k1c n ILE 47 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 62.75 62.61 1k1c n ILE 47 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 39.64 40.18 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 0.18 0.03 9.51 2.86 -1.94 0.59 114.93 126.16 1k1c h MET 48 Ca 0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1k1c h MET 48 Cb 0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1k1c h MET 48 CO 0.00 0.89 -0.02 0.78 1.06 0.00 0.00 176.91 179.62 1k1c h GLY 49 N 1.81 -0.05 0.00 8.32 0.00 0.34 0.27 103.07 113.76 1k1c h GLY 49 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1k1c h GLY 49 CO 0.12 -0.02 0.00 -0.10 0.00 0.00 0.00 176.54 176.54 1k1c n LEU 50 N -4.83 0.12 -0.02 3.11 7.94 0.68 0.02 117.00 124.01 1k1c n LEU 50 Ca -0.09 0.70 -0.12 0.00 -1.11 0.00 0.00 56.01 55.40 1k1c n LEU 50 Cb 0.30 -0.46 0.01 0.00 0.53 0.00 0.00 43.42 43.79 1k1c n LEU 50 CO 0.32 -0.46 0.43 -0.03 -1.11 0.00 0.00 177.39 176.54 1k1c h MET 51 N 0.00 0.67 0.02 1.96 4.05 -0.06 0.11 114.93 121.68 1k1c h MET 51 Ca 0.00 -0.45 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1k1c h MET 51 Cb 0.00 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1k1c h MET 51 CO 0.00 1.07 -0.01 0.77 0.23 0.00 0.00 176.91 178.97 1k1c h SER 52 N 0.50 -0.02 0.00 1.39 0.02 -0.87 -3.38 113.55 111.19 1k1c h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1k1c h SER 52 Cb 1.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1k1c h SER 52 CO 0.12 0.28 0.00 0.18 -1.14 0.00 0.00 176.83 176.27 1k1c n LEU 53 N -3.71 0.05 -0.27 5.07 7.99 0.05 -4.44 117.00 121.73 1k1c n LEU 53 Ca -0.00 0.43 0.18 0.00 -0.01 0.00 0.00 56.01 56.61 1k1c n LEU 53 Cb 0.01 -0.49 0.35 0.00 -0.11 0.00 0.00 43.42 43.17 1k1c n LEU 53 CO 0.01 -0.49 0.74 0.00 -1.51 0.00 0.00 177.39 176.14 1k1c n ALA 54 N -2.03 0.60 0.25 -1.18 0.00 0.10 -0.72 120.51 117.54 1k1c n ALA 54 Ca 0.00 0.86 0.12 0.00 0.00 0.00 0.00 53.44 54.41 1k1c n ALA 54 Cb 0.00 -0.72 0.48 0.00 0.00 0.00 0.00 19.45 19.21 1k1c n ALA 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1k1c h VAL 55 N 0.00 0.04 -0.62 0.00 3.04 -0.93 -3.29 116.25 114.49 1k1c h VAL 55 Ca 0.58 0.00 -0.43 0.00 -1.01 0.00 0.00 66.70 65.84 1k1c h VAL 55 Cb 1.38 0.36 -0.05 0.00 -2.01 0.00 0.00 31.29 30.97 1k1c h VAL 55 CO -0.71 0.00 1.34 -0.44 -1.01 0.00 0.00 177.57 176.75 1k1c s SER 56 N -3.92 5.56 0.14 3.17 0.01 0.10 -4.18 113.70 114.58 1k1c s SER 56 Ca -0.02 -1.75 -0.33 0.00 1.31 0.00 0.00 55.95 55.16 1k1c s SER 56 Cb 0.07 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 1k1c s SER 56 CO 0.22 -2.49 0.90 0.41 0.41 0.00 0.00 173.24 172.69 1k1c n THR 57 N 7.42 1.09 -0.77 1.44 -1.04 -1.26 -2.10 114.28 119.06 1k1c n THR 57 Ca 0.45 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1k1c n THR 57 Cb 0.47 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.81 0.86 3.80 3.41 0.00 0.35 -4.85 105.19 110.58 1k1c n GLY 58 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.39 4.33 -1.08 2.61 2.01 -0.89 -4.54 115.64 114.70 1k1c s THR 59 Ca 0.00 1.61 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 1k1c s THR 59 Cb 0.00 -3.86 0.14 0.00 0.01 0.00 0.00 72.50 68.79 1k1c s THR 59 CO 0.00 0.01 1.32 -1.83 -0.69 0.00 0.00 174.62 173.43 1k1c s GLU 60 N -2.38 3.83 0.16 4.92 -1.05 -1.25 -0.31 118.70 122.62 1k1c s GLU 60 Ca 0.52 -2.07 -0.29 0.00 -0.15 0.00 0.00 54.97 52.98 1k1c s GLU 60 Cb -0.15 -5.05 -0.07 0.00 -0.44 0.00 0.00 34.13 28.41 1k1c s GLU 60 CO 0.20 -1.84 0.92 0.14 0.95 0.00 0.00 175.26 175.64 1k1c s VAL 61 N 2.50 4.33 -0.81 1.83 -7.23 0.19 -0.40 120.40 120.82 1k1c s VAL 61 Ca 0.39 2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 62.42 1k1c s VAL 61 Cb -0.03 -4.29 0.19 0.00 0.56 0.00 0.00 36.38 32.80 1k1c s VAL 61 CO -0.04 0.41 0.82 -0.89 -0.31 0.00 0.00 175.10 175.09 1k1c s THR 62 N -0.59 5.36 -0.16 5.32 2.01 0.65 0.05 115.64 128.27 1k1c s THR 62 Ca 0.43 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.01 1k1c s THR 62 Cb -0.24 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 1k1c s THR 62 CO 0.30 -1.12 1.67 -0.22 -0.69 0.00 0.00 174.62 174.55 1k1c s LEU 63 N 0.93 4.01 0.09 4.42 0.20 0.14 -0.39 118.68 128.09 1k1c s LEU 63 Ca 0.19 1.85 0.02 0.00 0.69 0.00 0.00 54.13 56.88 1k1c s LEU 63 Cb -0.11 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1k1c s LEU 63 CO -0.07 -1.19 0.17 -0.63 -0.29 0.00 0.00 176.35 174.34 1k1c s ILE 64 N 5.00 5.01 -0.03 6.68 1.01 0.98 -0.45 121.20 139.40 1k1c s ILE 64 Ca 0.74 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1k1c s ILE 64 Cb -0.28 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1k1c s ILE 64 CO 0.30 0.07 0.08 0.00 0.00 0.00 0.00 174.94 175.38 1k1c s ALA 65 N -1.54 -0.19 -0.42 9.38 0.00 0.71 -0.52 121.76 129.17 1k1c s ALA 65 Ca 0.33 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1k1c s ALA 65 Cb -0.12 -0.12 0.25 0.00 0.00 0.00 0.00 23.12 23.13 1k1c s ALA 65 CO 0.26 -0.04 0.54 0.94 0.00 0.00 0.00 175.76 177.46 1k1c n GLN 66 N 2.99 0.92 -0.28 0.00 7.27 0.11 -1.11 117.38 127.28 1k1c n GLN 66 Ca -0.13 -3.41 0.00 0.00 0.07 0.00 0.00 57.00 53.54 1k1c n GLN 66 Cb 0.59 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.88 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 1.40 2.74 0.30 1.69 0.00 -1.26 -0.57 105.19 109.49 1k1c n GLY 67 Ca 0.22 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.25 1.61 5.08 -1.94 0.51 114.58 119.59 1k1c h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k1c h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k1c h GLU 68 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1k1c n ASP 69 N -3.85 3.80 0.00 1.42 9.92 -1.26 -4.95 116.55 121.63 1k1c n ASP 69 Ca -0.02 -2.99 0.00 0.00 -0.53 0.00 0.00 54.79 51.24 1k1c n ASP 69 Cb 0.13 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1k1c n ASP 69 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1k1c n GLU 70 N -0.52 0.00 -0.32 -1.24 2.13 0.17 0.46 120.64 121.32 1k1c n GLU 70 Ca 0.21 0.17 0.19 0.00 0.66 0.00 0.00 57.16 58.39 1k1c n GLU 70 Cb 0.87 -0.45 0.39 0.00 0.27 0.00 0.00 31.44 32.53 1k1c n GLU 70 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1k1c h GLN 71 N 0.00 0.24 -0.29 5.31 5.75 -1.86 0.10 115.11 124.36 1k1c h GLN 71 Ca 0.00 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1k1c h GLN 71 Cb 0.00 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1k1c h GLN 71 CO 0.00 0.16 -0.21 1.49 -2.65 0.00 0.00 178.83 177.62 1k1c h GLU 72 N 0.24 0.66 0.80 1.69 4.81 -0.88 0.47 114.58 122.37 1k1c h GLU 72 Ca 0.66 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1k1c h GLU 72 Cb 1.44 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.83 1k1c h GLU 72 CO -0.65 0.92 -0.40 0.00 -0.73 0.00 0.00 179.01 178.15 1k1c h ALA 73 N 0.73 -1.29 -0.42 2.92 0.00 0.23 0.79 119.26 122.22 1k1c h ALA 73 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1k1c h ALA 73 Cb 0.76 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1k1c h ALA 73 CO 0.06 -1.21 0.22 1.37 0.00 0.00 0.00 179.25 179.69 1k1c h LEU 74 N -1.09 0.54 0.27 0.00 8.10 -1.08 -0.57 115.31 121.48 1k1c h LEU 74 Ca -0.11 -0.10 -0.01 0.00 0.11 0.00 0.00 57.88 57.77 1k1c h LEU 74 Cb 0.84 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1k1c h LEU 74 CO 0.17 0.48 -0.13 -0.33 -4.11 0.00 0.00 178.44 174.53 1k1c h GLU 75 N 0.55 -0.36 -0.33 0.17 5.08 -0.90 0.12 114.58 118.91 1k1c h GLU 75 Ca 0.15 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1k1c h GLU 75 Cb 0.07 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1k1c h GLU 75 CO -0.02 -0.13 0.15 1.57 -1.00 0.00 0.00 179.01 179.57 1k1c h LYS 76 N -0.52 0.30 0.32 2.33 2.10 -0.78 0.83 116.57 121.15 1k1c h LYS 76 Ca -0.04 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1k1c h LYS 76 Cb 0.38 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 1k1c h LYS 76 CO 0.06 0.20 -0.48 -0.07 -2.00 0.00 0.00 179.45 177.16 1k1c h LEU 77 N 0.31 -1.37 -1.14 7.07 -0.00 -1.04 0.10 115.31 119.24 1k1c h LEU 77 Ca 0.14 0.12 0.14 0.00 -0.00 0.00 0.00 57.88 58.29 1k1c h LEU 77 Cb 0.08 0.48 -0.08 0.00 -0.00 0.00 0.00 40.66 41.13 1k1c h LEU 77 CO -0.12 -0.57 0.60 0.00 -0.00 0.00 0.00 178.44 178.35 1k1c h ALA 78 N -0.83 1.69 0.22 1.53 0.00 -0.52 0.20 119.26 121.55 1k1c h ALA 78 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k1c h ALA 78 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k1c h ALA 78 CO -0.15 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 179.05 1k1c h ALA 79 N 1.58 -0.29 -0.04 0.00 0.00 -0.16 -3.30 119.26 117.04 1k1c h ALA 79 Ca 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1k1c h ALA 79 Cb 0.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k1c h ALA 79 CO -0.25 -0.66 -0.10 -0.92 0.00 0.00 0.00 179.25 177.33 1k1c h TYR 80 N -0.31 0.18 -0.15 0.00 3.20 0.52 -2.70 116.97 117.72 1k1c h TYR 80 Ca -0.03 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1k1c h TYR 80 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1k1c h TYR 80 CO -0.06 0.69 0.34 -0.39 -1.64 0.00 0.00 178.16 177.10 1k1c h VAL 81 N -0.38 0.17 -0.00 1.81 -1.51 -0.76 -0.76 116.25 114.81 1k1c h VAL 81 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1k1c h VAL 81 Cb 0.68 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1k1c h VAL 81 CO 0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 176.27 1k1c n GLN 82 N -3.25 3.90 -0.07 5.19 10.64 -1.24 -2.01 117.38 130.53 1k1c n GLN 82 Ca 0.01 -0.23 -0.00 0.00 -1.83 0.00 0.00 57.00 54.95 1k1c n GLN 82 Cb 0.43 -0.78 0.02 0.00 -0.86 0.00 0.00 30.24 29.06 1k1c n GLN 82 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1k1c n GLU 83 N -0.66 1.21 0.00 2.61 -0.00 -0.29 -4.70 120.64 118.81 1k1c n GLU 83 Ca 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 1k1c n GLU 83 Cb 0.06 -1.38 0.00 0.00 -0.00 0.00 0.00 31.44 30.12 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1k1c n GLU 84 N 0.17 0.00 0.00 3.44 0.28 -1.26 -5.05 120.64 118.22 1k1c n GLU 84 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1k1c n GLU 84 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52