#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 2.29 0.18 7.34 0.74 -1.25 -0.80 119.66 128.16 1k1c s GLN 3 Ca 0.00 -0.65 -0.07 0.00 0.05 0.00 0.00 55.36 54.70 1k1c s GLN 3 Cb 0.00 -1.81 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 1k1c s GLN 3 CO 0.00 0.13 0.25 -0.65 -0.55 0.00 0.00 175.29 174.47 1k1c s GLN 4 N 0.42 1.19 0.02 1.67 -1.52 -0.37 -4.96 119.66 116.11 1k1c s GLN 4 Ca -0.15 -1.31 -0.25 0.00 -1.95 0.00 0.00 55.36 51.70 1k1c s GLN 4 Cb -0.16 0.35 0.06 0.00 -0.22 0.00 0.00 33.01 33.04 1k1c s GLN 4 CO 0.06 -0.43 0.57 -1.59 -0.25 0.00 0.00 175.29 173.65 1k1c s LYS 5 N -4.02 1.05 -0.07 2.91 0.00 -1.26 -0.29 119.74 118.05 1k1c s LYS 5 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 55.97 56.15 1k1c s LYS 5 Cb 0.04 0.48 0.02 0.00 0.00 0.00 0.00 37.83 38.37 1k1c s LYS 5 CO 0.04 -0.36 -0.10 0.14 0.00 0.00 0.00 175.35 175.06 1k1c s VAL 6 N -2.04 1.04 0.29 1.79 -7.23 0.23 -4.82 120.40 109.66 1k1c s VAL 6 Ca -0.07 -0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 59.58 1k1c s VAL 6 Cb -0.01 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 1k1c s VAL 6 CO 0.02 0.34 0.65 -0.70 -0.31 0.00 0.00 175.10 175.10 1k1c s GLU 7 N 0.87 3.87 0.29 4.82 2.12 -1.26 -0.11 118.70 129.30 1k1c s GLU 7 Ca -0.11 0.44 -0.14 0.00 0.36 0.00 0.00 54.97 55.52 1k1c s GLU 7 Cb -0.15 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1k1c s GLU 7 CO 0.01 0.21 0.59 0.14 -0.54 0.00 0.00 175.26 175.67 1k1c s VAL 8 N -1.96 0.00 -0.07 3.70 -7.23 -0.07 -4.89 120.40 109.88 1k1c s VAL 8 Ca 0.50 -1.26 -0.25 0.00 -1.81 0.00 0.00 61.98 59.17 1k1c s VAL 8 Cb -0.11 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1k1c s VAL 8 CO 0.21 0.00 0.79 -0.60 -0.31 0.00 0.00 175.10 175.19 1k1c s ARG 9 N -3.65 4.44 -0.29 4.82 3.00 -1.26 0.12 118.95 126.13 1k1c s ARG 9 Ca 0.19 1.03 -0.26 0.00 -1.00 0.00 0.00 55.73 55.69 1k1c s ARG 9 Cb -0.03 -3.47 -0.28 0.00 0.00 0.00 0.00 34.95 31.17 1k1c s ARG 9 CO 0.10 -0.03 1.70 -0.11 0.00 0.00 0.00 175.30 176.96 1k1c n LEU 10 N 4.07 2.14 0.19 -0.88 7.94 0.51 -3.04 117.00 127.93 1k1c n LEU 10 Ca 0.01 -2.00 0.14 0.00 -1.11 0.00 0.00 56.01 53.05 1k1c n LEU 10 Cb 0.51 -0.73 0.55 0.00 0.53 0.00 0.00 43.42 44.28 1k1c n LEU 10 CO 0.48 -1.35 0.91 0.50 -1.11 0.00 0.00 177.39 176.83 1k1c h LYS 11 N 9.13 0.00 0.00 1.96 3.11 -0.98 0.21 116.57 130.00 1k1c h LYS 11 Ca 0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1k1c h LYS 11 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1k1c h LYS 11 CO 1.98 0.00 -1.16 0.25 -2.81 0.00 0.00 179.45 177.71 1k1c n THR 12 N -2.63 0.10 -2.95 1.00 -2.24 -0.36 -4.56 114.28 102.64 1k1c n THR 12 Ca 0.02 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1k1c n THR 12 Cb 0.29 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.38 -0.25 4.39 3.38 0.00 -0.76 -1.01 105.19 112.32 1k1c n GLY 13 Ca 0.02 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.37 -1.07 -3.13 0.99 7.99 0.02 -3.89 117.00 115.54 1k1c n LEU 14 Ca 0.06 -1.22 -0.35 0.00 -0.01 0.00 0.00 56.01 54.49 1k1c n LEU 14 Cb 0.28 -1.69 -0.04 0.00 -0.11 0.00 0.00 43.42 41.86 1k1c n LEU 14 CO 0.45 0.28 2.57 0.00 -1.51 0.00 0.00 177.39 179.17 1k1c n GLN 15 N -4.31 3.73 0.00 3.23 1.13 -0.18 -4.59 117.38 116.39 1k1c n GLN 15 Ca -0.08 -2.61 0.00 0.00 -1.94 0.00 0.00 57.00 52.37 1k1c n GLN 15 Cb 0.56 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 28.35 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1k1c n ALA 16 N 2.34 0.00 0.23 -1.58 0.00 -1.26 -3.95 120.51 116.30 1k1c n ALA 16 Ca 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.99 1k1c n ALA 16 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.61 -0.73 0.00 2.47 -1.94 0.33 114.38 113.90 1k1c h ARG 17 Ca 0.00 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1k1c h ARG 17 Cb 0.00 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 1k1c h ARG 17 CO 0.00 -0.41 0.47 -1.00 0.56 0.00 0.00 179.97 179.59 1k1c h PRO 18 N -0.93 0.90 -0.59 0.04 0.13 -1.83 -1.28 132.00 128.45 1k1c h PRO 18 Ca -0.06 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1k1c h PRO 18 Cb 0.48 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.36 1k1c h PRO 18 CO 0.11 0.60 0.31 0.00 -0.23 0.00 0.00 178.00 178.78 1k1c h ALA 19 N 1.30 0.78 -0.38 -0.56 0.00 -1.70 -1.23 119.26 117.46 1k1c h ALA 19 Ca 0.28 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1k1c h ALA 19 Cb -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1k1c h ALA 19 CO -0.09 -0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.13 1k1c h ALA 20 N 1.33 0.36 -0.19 0.00 0.00 0.79 0.28 119.26 121.82 1k1c h ALA 20 Ca 0.27 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1k1c h ALA 20 Cb 0.19 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1k1c h ALA 20 CO -0.19 -0.38 0.01 1.25 0.00 0.00 0.00 179.25 179.94 1k1c h LEU 21 N 0.12 -0.05 0.01 0.00 7.12 -0.83 0.23 115.31 121.91 1k1c h LEU 21 Ca 0.19 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 1k1c h LEU 21 Cb 0.25 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1k1c h LEU 21 CO -0.30 0.00 -0.01 0.15 -0.13 0.00 0.00 178.44 178.15 1k1c h PHE 22 N 0.08 -0.03 -0.69 1.25 3.57 -0.05 -0.60 116.94 120.48 1k1c h PHE 22 Ca 0.09 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1k1c h PHE 22 Cb 0.10 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.75 1k1c h PHE 22 CO -0.16 -0.01 0.12 0.28 -2.23 0.00 0.00 178.31 176.30 1k1c h VAL 23 N -0.02 0.52 -0.16 1.41 2.07 -0.53 0.69 116.25 120.24 1k1c h VAL 23 Ca -0.00 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1k1c h VAL 23 Cb 0.02 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 1k1c h VAL 23 CO -0.00 0.04 -0.48 -0.61 0.02 0.00 0.00 177.57 176.54 1k1c h GLN 24 N 0.22 -0.46 -0.03 1.57 4.15 -0.37 0.19 115.11 120.38 1k1c h GLN 24 Ca 0.38 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.66 1k1c h GLN 24 Cb 0.63 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1k1c h GLN 24 CO -0.51 -0.31 -0.71 1.05 -1.93 0.00 0.00 178.83 176.42 1k1c h GLU 25 N -0.48 0.19 -0.69 1.69 4.11 -0.38 0.44 114.58 119.46 1k1c h GLU 25 Ca 0.03 -0.16 0.05 0.00 0.07 0.00 0.00 59.36 59.35 1k1c h GLU 25 Cb 0.58 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1k1c h GLU 25 CO -0.40 0.82 0.41 0.00 0.07 0.00 0.00 179.01 179.91 1k1c h ALA 26 N 1.13 0.92 -0.60 1.06 0.00 -0.67 -1.78 119.26 119.31 1k1c h ALA 26 Ca -0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 26 Cb 1.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1k1c h ALA 26 CO 0.11 0.14 -0.01 -0.91 0.00 0.00 0.00 179.25 178.57 1k1c h ASN 27 N 0.78 1.06 0.00 0.00 2.35 -0.16 -3.38 115.58 116.23 1k1c h ASN 27 Ca 0.29 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1k1c h ASN 27 Cb 0.11 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1k1c h ASN 27 CO -0.14 1.11 0.00 0.54 -1.65 0.00 0.00 177.43 177.29 1k1c n ARG 28 N -4.17 0.00 0.00 0.81 1.74 0.15 -3.86 116.66 111.33 1k1c n ARG 28 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1k1c n ARG 28 Cb 0.36 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1k1c n ARG 28 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k1c n PHE 29 N 0.58 0.00 0.13 -1.55 3.72 -1.26 -5.00 117.46 114.08 1k1c n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1k1c n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.43 0.00 -0.78 4.37 -2.24 -1.25 -4.95 114.28 109.00 1k1c n THR 30 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 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 -3.01 -0.22 -4.51 3.42 7.64 -1.26 -4.80 113.62 110.87 1k1c n SER 31 Ca 0.00 0.61 -0.43 0.00 1.01 0.00 0.00 58.87 60.06 1k1c n SER 31 Cb 0.00 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -0.17 6.95 0.75 6.43 2.15 0.10 -4.48 116.67 128.40 1k1c s ASP 32 Ca 0.44 -2.69 -0.12 0.00 0.43 0.00 0.00 52.55 50.60 1k1c s ASP 32 Cb -0.62 -2.48 0.05 0.00 -0.30 0.00 0.00 42.92 39.57 1k1c s ASP 32 CO 0.30 -0.95 1.12 0.68 -0.17 0.00 0.00 175.17 176.15 1k1c s VAL 33 N 2.79 3.00 0.28 1.11 -7.23 -1.26 -3.00 120.40 116.09 1k1c s VAL 33 Ca 0.47 0.39 0.02 0.00 -1.81 0.00 0.00 61.98 61.05 1k1c s VAL 33 Cb -0.00 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1k1c s VAL 33 CO 0.03 -0.36 0.12 -0.36 -0.31 0.00 0.00 175.10 174.22 1k1c s PHE 34 N -2.56 1.57 -0.09 2.82 0.08 0.41 -0.05 117.98 120.14 1k1c s PHE 34 Ca 0.65 -1.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 1k1c s PHE 34 Cb -0.21 -0.89 0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1k1c s PHE 34 CO 0.50 -0.41 0.21 -1.17 -0.10 0.00 0.00 175.22 174.25 1k1c s LEU 35 N -3.35 0.37 -0.27 -0.37 0.20 0.11 0.04 118.68 115.41 1k1c s LEU 35 Ca 0.36 0.44 -0.00 0.00 0.69 0.00 0.00 54.13 55.63 1k1c s LEU 35 Cb 0.06 0.57 0.08 0.00 -0.43 0.00 0.00 46.19 46.47 1k1c s LEU 35 CO 0.15 -0.18 0.03 -1.61 -0.29 0.00 0.00 176.35 174.46 1k1c s GLU 36 N 1.48 1.07 -0.62 1.98 2.02 0.67 0.04 118.70 125.34 1k1c s GLU 36 Ca -0.07 -1.01 -0.26 0.00 0.02 0.00 0.00 54.97 53.65 1k1c s GLU 36 Cb -0.11 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1k1c s GLU 36 CO -0.07 -0.79 2.39 0.15 0.02 0.00 0.00 175.26 176.96 1k1c s LYS 37 N 1.51 1.91 -1.21 1.61 1.02 0.36 -0.27 119.74 124.68 1k1c s LYS 37 Ca 0.03 1.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.98 1k1c s LYS 37 Cb -0.18 -4.67 0.03 0.00 -0.52 0.00 0.00 37.83 32.50 1k1c s LYS 37 CO -0.14 -3.74 0.29 -0.25 -0.92 0.00 0.00 175.35 170.59 1k1c n ASP 38 N 16.94 -4.08 0.00 2.83 8.00 0.12 -0.61 116.55 139.74 1k1c n ASP 38 Ca 0.40 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1k1c n ASP 38 Cb 0.50 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.05 2.37 3.43 0.44 0.00 -0.34 -5.02 105.19 105.02 1k1c n GLY 39 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.44 2.21 -2.83 1.61 4.76 0.22 -4.82 118.16 118.86 1k1c n LYS 40 Ca 0.00 -2.65 -0.31 0.00 -2.87 0.00 0.00 58.31 52.48 1k1c n LYS 40 Cb 0.00 -3.50 -0.04 0.00 -1.84 0.00 0.00 35.03 29.65 1k1c n LYS 40 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k1c s LYS 41 N 5.24 3.86 0.23 1.97 2.36 -1.25 -0.49 119.74 131.66 1k1c s LYS 41 Ca 0.60 0.60 -0.16 0.00 -2.55 0.00 0.00 55.97 54.46 1k1c s LYS 41 Cb 0.04 -2.35 0.01 0.00 -1.05 0.00 0.00 37.83 34.48 1k1c s LYS 41 CO 0.10 -0.04 0.53 0.54 1.55 0.00 0.00 175.35 178.03 1k1c s VAL 42 N -2.34 0.01 -0.52 4.02 0.11 0.11 -4.89 120.40 116.90 1k1c s VAL 42 Ca 0.53 -1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 1k1c s VAL 42 Cb -0.10 -1.89 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 1k1c s VAL 42 CO 0.28 -0.06 2.18 0.20 -3.33 0.00 0.00 175.10 174.37 1k1c s ASN 43 N -2.94 4.82 0.24 3.54 -0.87 -1.26 0.07 114.94 118.54 1k1c s ASN 43 Ca 0.15 0.83 -0.06 0.00 -1.57 0.00 0.00 52.86 52.21 1k1c s ASN 43 Cb -0.02 -2.51 0.42 0.00 -0.02 0.00 0.00 41.25 39.12 1k1c s ASN 43 CO 0.03 -2.63 1.71 0.00 -2.57 0.00 0.00 177.10 173.65 1k1c h ALA 44 N 17.50 0.95 0.00 0.60 0.00 -0.64 0.12 119.26 137.78 1k1c h ALA 44 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k1c h ALA 44 Cb 1.22 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1k1c h ALA 44 CO 1.17 -0.26 0.00 0.36 0.00 0.00 0.00 179.25 180.52 1k1c n LYS 45 N -5.06 0.21 -3.36 0.00 2.85 -1.24 -4.03 118.16 107.52 1k1c n LYS 45 Ca 0.13 0.36 -0.20 0.00 -1.05 0.00 0.00 58.31 57.55 1k1c n LYS 45 Cb 0.40 -1.85 -0.01 0.00 -0.65 0.00 0.00 35.03 32.92 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 -4.33 5.24 0.18 -5.58 0.01 0.36 -4.90 113.70 104.68 1k1c s SER 46 Ca 0.06 -0.66 -0.22 0.00 1.31 0.00 0.00 55.95 56.44 1k1c s SER 46 Cb 0.10 -0.51 0.09 0.00 0.21 0.00 0.00 66.02 65.91 1k1c s SER 46 CO 0.46 -0.75 1.59 -0.29 0.41 0.00 0.00 173.24 174.66 1k1c h ILE 47 N 0.84 0.18 0.00 1.44 -0.00 -1.89 0.96 117.51 119.03 1k1c h ILE 47 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.46 1k1c h ILE 47 Cb 1.27 0.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 1k1c h ILE 47 CO 0.52 0.00 0.00 -0.03 -0.00 0.00 0.00 178.15 178.64 1k1c h MET 48 N -0.20 0.00 0.10 2.19 4.05 -1.95 0.76 114.93 119.87 1k1c h MET 48 Ca 0.21 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1k1c h MET 48 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1k1c h MET 48 CO -0.64 0.00 -0.05 0.78 0.23 0.00 0.00 176.91 177.24 1k1c h GLY 49 N 1.44 -0.14 0.00 1.39 0.00 -0.38 0.29 103.07 105.67 1k1c h GLY 49 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1k1c h GLY 49 CO 0.00 -0.05 0.00 -0.10 0.00 0.00 0.00 176.54 176.39 1k1c n LEU 50 N -4.66 0.00 -0.06 3.11 -0.00 -0.18 0.57 117.00 115.78 1k1c n LEU 50 Ca -0.02 0.61 -0.08 0.00 -0.00 0.00 0.00 56.01 56.52 1k1c n LEU 50 Cb 0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.35 1k1c n LEU 50 CO 0.04 -0.11 0.91 -0.03 -0.00 0.00 0.00 177.39 178.19 1k1c h MET 51 N 0.00 0.16 0.00 1.96 4.05 0.26 -0.27 114.93 121.10 1k1c h MET 51 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1k1c h MET 51 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1k1c h MET 51 CO 0.00 0.11 0.00 0.43 0.23 0.00 0.00 176.91 177.68 1k1c n SER 52 N -5.06 0.00 0.05 1.39 7.64 -1.04 -4.49 113.62 112.12 1k1c n SER 52 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.83 1k1c n SER 52 Cb 0.09 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1k1c n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1k1c h LEU 53 N 0.00 -0.18 -1.69 -3.43 -0.00 -0.66 -3.34 115.31 106.01 1k1c h LEU 53 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1k1c h LEU 53 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1k1c h LEU 53 CO 0.00 0.19 0.10 0.00 -0.00 0.00 0.00 178.44 178.73 1k1c h ALA 54 N -1.26 1.08 0.00 1.53 0.00 -0.04 -0.35 119.26 120.22 1k1c h ALA 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k1c h ALA 54 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k1c h ALA 54 CO 0.04 -0.08 0.00 1.55 0.00 0.00 0.00 179.25 180.76 1k1c n VAL 55 N -2.45 0.66 -1.69 0.00 3.14 -0.11 -0.80 118.33 117.09 1k1c n VAL 55 Ca -0.02 0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 61.11 1k1c n VAL 55 Cb 0.14 -0.87 -0.00 0.00 -1.06 0.00 0.00 33.84 32.05 1k1c n VAL 55 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1k1c n SER 56 N -1.41 4.39 -4.72 6.55 7.64 -0.14 -4.44 113.62 121.48 1k1c n SER 56 Ca 0.06 -2.81 -0.66 0.00 1.01 0.00 0.00 58.87 56.46 1k1c n SER 56 Cb 0.18 -1.65 -0.10 0.00 -1.01 0.00 0.00 64.21 61.64 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 4.93 0.02 -0.25 0.44 -1.04 -1.24 -0.57 114.28 116.57 1k1c n THR 57 Ca 0.55 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1k1c n THR 57 Cb 0.37 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 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 3.76 0.68 3.78 3.41 0.00 0.66 -4.94 105.19 112.54 1k1c n GLY 58 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.55 5.25 -0.24 2.61 2.01 0.27 -4.59 115.64 118.40 1k1c s THR 59 Ca 0.00 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1k1c s THR 59 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1k1c s THR 59 CO 0.00 0.47 1.66 -1.61 -0.69 0.00 0.00 174.62 174.45 1k1c s GLU 60 N -0.16 3.71 -0.01 4.92 0.41 -1.25 -0.36 118.70 125.95 1k1c s GLU 60 Ca 0.19 1.64 0.05 0.00 -0.41 0.00 0.00 54.97 56.44 1k1c s GLU 60 Cb -0.14 -4.07 -0.01 0.00 -1.78 0.00 0.00 34.13 28.12 1k1c s GLU 60 CO 0.07 -1.40 -0.18 0.14 -0.49 0.00 0.00 175.26 173.40 1k1c s VAL 61 N 5.54 1.41 -0.28 2.63 -7.23 0.12 0.11 120.40 122.69 1k1c s VAL 61 Ca 0.74 -0.76 -0.22 0.00 -1.81 0.00 0.00 61.98 59.92 1k1c s VAL 61 Cb -0.25 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 1k1c s VAL 61 CO 0.30 0.40 0.73 -0.89 -0.31 0.00 0.00 175.10 175.34 1k1c s THR 62 N -0.42 4.87 -0.38 5.32 2.01 0.63 -0.89 115.64 126.78 1k1c s THR 62 Ca 0.07 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 63.03 1k1c s THR 62 Cb -0.07 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.38 1k1c s THR 62 CO -0.01 -0.14 0.75 -0.76 -0.69 0.00 0.00 174.62 173.77 1k1c s LEU 63 N 2.78 4.18 0.26 4.42 1.43 0.85 -0.24 118.68 132.36 1k1c s LEU 63 Ca 0.30 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1k1c s LEU 63 Cb -0.15 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1k1c s LEU 63 CO 0.11 -0.73 0.42 -0.63 0.23 0.00 0.00 176.35 175.75 1k1c s ILE 64 N 3.05 5.20 -0.07 -0.59 1.01 0.11 -0.60 121.20 129.30 1k1c s ILE 64 Ca 0.30 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1k1c s ILE 64 Cb -0.13 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.54 1k1c s ILE 64 CO 0.17 -0.35 0.16 0.00 0.00 0.00 0.00 174.94 174.92 1k1c s ALA 65 N -2.05 -0.35 -0.44 9.38 0.00 0.60 -0.45 121.76 128.46 1k1c s ALA 65 Ca 0.37 0.59 0.08 0.00 0.00 0.00 0.00 51.96 53.00 1k1c s ALA 65 Cb -0.10 -0.38 0.26 0.00 0.00 0.00 0.00 23.12 22.90 1k1c s ALA 65 CO 0.31 -0.12 0.58 0.94 0.00 0.00 0.00 175.76 177.47 1k1c n GLN 66 N 3.64 1.13 0.00 0.00 0.00 -1.16 -1.24 117.38 119.74 1k1c n GLN 66 Ca -0.20 -3.55 0.00 0.00 -0.00 0.00 0.00 57.00 53.26 1k1c n GLN 66 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k1c n GLY 67 N 1.22 3.60 0.18 1.69 0.00 0.02 -0.72 105.19 111.19 1k1c n GLY 67 Ca 0.23 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.24 -2.11 1.61 4.39 -1.87 -3.12 114.58 113.73 1k1c h GLU 68 Ca 0.00 -0.15 -0.69 0.00 0.34 0.00 0.00 59.36 58.86 1k1c h GLU 68 Cb 0.00 0.02 -0.35 0.00 -0.10 0.00 0.00 28.75 28.32 1k1c h GLU 68 CO 0.00 0.73 0.12 -0.25 -1.16 0.00 0.00 179.01 178.45 1k1c n ASP 69 N -3.92 5.88 0.00 1.42 9.92 -1.26 -4.87 116.55 123.72 1k1c n ASP 69 Ca -0.02 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 1k1c n ASP 69 Cb 0.58 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 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 -0.27 0.00 -0.30 -1.24 2.13 -1.21 -0.12 120.64 119.64 1k1c n GLU 70 Ca 0.41 0.10 0.10 0.00 0.66 0.00 0.00 57.16 58.42 1k1c n GLU 70 Cb 0.37 -0.99 0.26 0.00 0.27 0.00 0.00 31.44 31.36 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1k1c h GLN 71 N 0.00 0.49 -0.27 5.31 1.08 -1.87 0.44 115.11 120.29 1k1c h GLN 71 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1k1c h GLN 71 Cb 0.00 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1k1c h GLN 71 CO 0.00 0.32 0.11 1.49 -0.95 0.00 0.00 178.83 179.80 1k1c h GLU 72 N 0.50 0.40 0.50 1.46 4.57 -1.92 -0.54 114.58 119.56 1k1c h GLU 72 Ca 0.51 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1k1c h GLU 72 Cb 0.85 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1k1c h GLU 72 CO -0.45 0.43 -0.24 0.00 -1.18 0.00 0.00 179.01 177.58 1k1c h ALA 73 N 0.95 -0.67 -0.76 2.92 0.00 0.30 -2.75 119.26 119.26 1k1c h ALA 73 Ca 0.09 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1k1c h ALA 73 Cb 0.18 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1k1c h ALA 73 CO -0.01 -0.69 0.29 1.37 0.00 0.00 0.00 179.25 180.21 1k1c h LEU 74 N -1.03 0.25 -0.38 0.00 8.10 -0.94 -0.42 115.31 120.88 1k1c h LEU 74 Ca -0.07 0.12 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 1k1c h LEU 74 Cb 0.60 0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 1k1c h LEU 74 CO 0.11 0.08 0.20 -0.33 -4.11 0.00 0.00 178.44 174.39 1k1c h GLU 75 N 0.42 0.54 -0.05 0.17 4.39 -1.14 -0.25 114.58 118.66 1k1c h GLU 75 Ca 0.42 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.08 1k1c h GLU 75 Cb 0.66 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1k1c h GLU 75 CO -0.42 0.45 -0.11 0.87 -1.16 0.00 0.00 179.01 178.64 1k1c h LYS 76 N 0.48 -0.16 0.53 2.33 1.57 -0.82 0.06 116.57 120.57 1k1c h LYS 76 Ca 0.13 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1k1c h LYS 76 Cb 0.08 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1k1c h LYS 76 CO -0.02 -0.11 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.39 1k1c h LEU 77 N -0.17 -0.73 -1.47 2.94 -0.00 -0.97 0.18 115.31 115.10 1k1c h LEU 77 Ca 0.06 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1k1c h LEU 77 Cb 0.25 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1k1c h LEU 77 CO -0.15 -0.48 0.06 0.00 -0.00 0.00 0.00 178.44 177.87 1k1c h ALA 78 N -0.33 1.58 0.06 1.53 0.00 -1.00 0.12 119.26 121.22 1k1c h ALA 78 Ca -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1k1c h ALA 78 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k1c h ALA 78 CO 0.09 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 1k1c h ALA 79 N 1.67 -0.08 0.46 0.00 0.00 -0.46 -3.32 119.26 117.53 1k1c h ALA 79 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1k1c h ALA 79 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k1c h ALA 79 CO -0.00 -0.52 -0.22 -0.92 0.00 0.00 0.00 179.25 177.58 1k1c h TYR 80 N -0.12 -0.58 -1.16 0.00 3.20 0.03 -2.98 116.97 115.36 1k1c h TYR 80 Ca -0.01 -0.01 0.33 0.00 3.14 0.00 0.00 58.73 62.18 1k1c h TYR 80 Cb 0.10 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 1k1c h TYR 80 CO -0.06 -0.36 0.80 -0.39 -1.64 0.00 0.00 178.16 176.51 1k1c h VAL 81 N -0.99 0.42 0.00 1.81 -1.51 -0.92 0.89 116.25 115.95 1k1c h VAL 81 Ca -0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1k1c h VAL 81 Cb 0.48 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1k1c h VAL 81 CO 0.10 0.03 -1.23 0.00 -1.23 0.00 0.00 177.57 175.24 1k1c n GLN 82 N -4.38 0.21 0.00 5.19 10.64 -1.17 -0.36 117.38 127.52 1k1c n GLN 82 Ca 0.27 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1k1c n GLN 82 Cb 1.15 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 29.01 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 -1.76 0.00 0.00 2.61 2.13 0.31 -4.69 120.64 119.23 1k1c n GLU 83 Ca 0.02 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1k1c n GLU 83 Cb 0.41 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 -1.15 0.00 0.00 5.31 0.28 -1.26 -5.07 120.64 118.75 1k1c n GLU 84 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k1c n GLU 84 Cb 0.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52