#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 4.31 0.11 1.45 0.74 -1.26 -3.94 119.66 121.08 1k1c s GLN 3 Ca 0.00 1.07 0.04 0.00 0.05 0.00 0.00 55.36 56.52 1k1c s GLN 3 Cb 0.00 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 1k1c s GLN 3 CO 0.00 -0.33 -0.10 -0.65 -0.55 0.00 0.00 175.29 173.66 1k1c s GLN 4 N 2.15 0.93 -0.14 1.67 -1.52 -1.08 -4.95 119.66 116.72 1k1c s GLN 4 Ca 0.40 -1.27 -0.19 0.00 -1.95 0.00 0.00 55.36 52.34 1k1c s GLN 4 Cb -0.17 -0.56 0.05 0.00 -0.22 0.00 0.00 33.01 32.11 1k1c s GLN 4 CO 0.13 0.08 0.50 -1.59 -0.25 0.00 0.00 175.29 174.15 1k1c s LYS 5 N -3.18 0.67 -0.08 2.91 0.00 -1.25 -0.32 119.74 118.49 1k1c s LYS 5 Ca 0.10 0.50 0.04 0.00 0.00 0.00 0.00 55.97 56.60 1k1c s LYS 5 Cb -0.01 0.32 0.00 0.00 0.00 0.00 0.00 37.83 38.14 1k1c s LYS 5 CO -0.00 -0.12 -0.20 0.14 0.00 0.00 0.00 175.35 175.17 1k1c s VAL 6 N -0.19 1.70 0.49 1.79 -7.23 0.35 -4.84 120.40 112.47 1k1c s VAL 6 Ca -0.04 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.13 1k1c s VAL 6 Cb -0.03 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.34 1k1c s VAL 6 CO 0.03 0.48 0.98 -1.61 -0.31 0.00 0.00 175.10 174.67 1k1c s GLU 7 N 0.34 3.99 -0.10 4.82 2.02 -1.26 0.17 118.70 128.69 1k1c s GLU 7 Ca -0.14 1.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.79 1k1c s GLU 7 Cb -0.16 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 31.96 1k1c s GLU 7 CO 0.06 -0.23 0.28 0.14 0.02 0.00 0.00 175.26 175.53 1k1c s VAL 8 N -2.44 0.01 0.25 2.63 -7.23 0.62 -4.86 120.40 109.37 1k1c s VAL 8 Ca 0.61 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.42 1k1c s VAL 8 Cb -0.10 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.33 1k1c s VAL 8 CO 0.25 -0.03 1.00 -0.60 -0.31 0.00 0.00 175.10 175.42 1k1c s ARG 9 N 0.00 4.76 -0.75 4.82 3.52 -1.25 0.67 118.95 130.73 1k1c s ARG 9 Ca -0.01 1.61 -0.26 0.00 -0.13 0.00 0.00 55.73 56.94 1k1c s ARG 9 Cb -0.02 -3.25 -0.13 0.00 -1.56 0.00 0.00 34.95 29.99 1k1c s ARG 9 CO 0.01 0.38 2.41 -0.51 -0.81 0.00 0.00 175.30 176.77 1k1c s LEU 10 N -1.19 2.94 0.02 -0.88 2.01 0.10 -3.65 118.68 118.03 1k1c s LEU 10 Ca 0.43 0.20 -0.20 0.00 0.01 0.00 0.00 54.13 54.57 1k1c s LEU 10 Cb -0.28 -2.54 -0.20 0.00 0.01 0.00 0.00 46.19 43.17 1k1c s LEU 10 CO 0.35 -3.74 1.17 0.50 1.01 0.00 0.00 176.35 175.64 1k1c h LYS 11 N 13.70 0.41 0.16 1.70 3.11 -0.93 0.26 116.57 134.97 1k1c h LYS 11 Ca -0.03 -0.36 -0.01 0.00 -2.81 0.00 0.00 60.65 57.44 1k1c h LYS 11 Cb 1.04 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1k1c h LYS 11 CO 1.03 1.01 -0.08 1.79 -2.81 0.00 0.00 179.45 180.39 1k1c h THR 12 N -0.07 0.97 -2.35 1.00 1.35 -1.62 -3.41 112.91 108.77 1k1c h THR 12 Ca -0.04 -0.95 -0.24 0.00 -0.55 0.00 0.00 66.41 64.63 1k1c h THR 12 Cb 1.11 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1k1c h THR 12 CO 0.09 0.21 -0.34 0.61 -0.25 0.00 0.00 175.52 175.84 1k1c n GLY 13 N 0.17 -0.08 4.16 5.82 0.00 -1.21 -4.12 105.19 109.93 1k1c n GLY 13 Ca -0.09 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.16 -0.49 -0.07 0.99 7.99 -0.95 -3.61 117.00 118.69 1k1c n LEU 14 Ca -0.10 -1.24 -0.06 0.00 -0.01 0.00 0.00 56.01 54.59 1k1c n LEU 14 Cb 0.59 -1.51 -0.03 0.00 -0.11 0.00 0.00 43.42 42.36 1k1c n LEU 14 CO 0.23 0.63 -0.32 1.56 -1.51 0.00 0.00 177.39 177.97 1k1c h GLN 15 N -2.05 0.00 0.00 3.23 4.20 -1.88 -3.38 115.11 115.23 1k1c h GLN 15 Ca -0.66 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.05 1k1c h GLN 15 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1k1c h GLN 15 CO 0.58 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 1k1c n ALA 16 N -3.51 0.28 0.00 3.87 0.00 -1.26 -5.00 120.51 114.89 1k1c n ALA 16 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k1c n ALA 16 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1k1c n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k1c n ARG 17 N -0.60 0.00 -0.34 0.00 3.00 -1.26 -4.43 116.66 113.03 1k1c n ARG 17 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1k1c n ARG 17 Cb 0.00 -0.01 0.31 0.00 0.00 0.00 0.00 32.46 32.76 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1k1c h PRO 18 N 0.00 0.68 -0.35 -0.14 0.13 -1.98 0.17 132.00 130.51 1k1c h PRO 18 Ca 0.00 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.15 1k1c h PRO 18 Cb 0.00 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 30.92 1k1c h PRO 18 CO 0.00 0.45 -0.00 0.00 -0.23 0.00 0.00 178.00 178.22 1k1c h ALA 19 N 1.64 0.32 -0.95 -0.56 0.00 -1.91 0.26 119.26 118.05 1k1c h ALA 19 Ca 0.57 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1k1c h ALA 19 Cb 0.90 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1k1c h ALA 19 CO -0.40 -0.40 0.60 0.00 0.00 0.00 0.00 179.25 179.05 1k1c h ALA 20 N 1.31 1.21 -0.80 0.00 0.00 -0.99 -0.84 119.26 119.14 1k1c h ALA 20 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k1c h ALA 20 Cb 0.24 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1k1c h ALA 20 CO -0.29 0.63 0.53 1.25 0.00 0.00 0.00 179.25 181.37 1k1c h LEU 21 N 1.30 0.93 0.08 0.00 6.46 0.38 0.32 115.31 124.77 1k1c h LEU 21 Ca 0.34 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1k1c h LEU 21 Cb -0.10 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.56 1k1c h LEU 21 CO -0.07 0.68 -0.40 0.15 -0.62 0.00 0.00 178.44 178.17 1k1c h PHE 22 N 1.09 -1.17 -0.40 1.25 3.04 0.64 0.23 116.94 121.63 1k1c h PHE 22 Ca 0.29 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.29 1k1c h PHE 22 Cb -0.12 0.50 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 1k1c h PHE 22 CO -0.02 -0.45 0.26 0.28 -2.02 0.00 0.00 178.31 176.37 1k1c h VAL 23 N -0.56 1.07 -0.08 1.41 2.07 -0.84 0.19 116.25 119.50 1k1c h VAL 23 Ca -0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1k1c h VAL 23 Cb 0.57 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1k1c h VAL 23 CO -0.23 0.09 0.00 -0.61 0.02 0.00 0.00 177.57 176.85 1k1c h GLN 24 N 0.49 0.14 -0.02 1.57 4.15 0.30 0.28 115.11 122.02 1k1c h GLN 24 Ca 0.15 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1k1c h GLN 24 Cb 0.01 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1k1c h GLN 24 CO -0.03 0.39 -0.09 0.93 -1.93 0.00 0.00 178.83 178.10 1k1c h GLU 25 N -0.13 0.10 -0.66 1.69 4.39 -0.16 0.32 114.58 120.11 1k1c h GLU 25 Ca 0.02 -0.07 0.14 0.00 0.34 0.00 0.00 59.36 59.79 1k1c h GLU 25 Cb 0.33 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.88 1k1c h GLU 25 CO 0.00 0.72 0.05 0.00 -1.16 0.00 0.00 179.01 178.62 1k1c h ALA 26 N 0.37 0.72 0.10 3.43 0.00 -1.04 -0.47 119.26 122.38 1k1c h ALA 26 Ca -0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1k1c h ALA 26 Cb 0.73 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1k1c h ALA 26 CO 0.02 -0.38 -0.15 -0.97 0.00 0.00 0.00 179.25 177.77 1k1c h ASN 27 N 0.16 -0.41 -0.76 0.00 -0.73 -0.27 -3.18 115.58 110.38 1k1c h ASN 27 Ca 0.36 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.57 1k1c h ASN 27 Cb 0.59 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.30 1k1c h ASN 27 CO -0.54 -0.22 0.45 0.03 -0.37 0.00 0.00 177.43 176.78 1k1c h ARG 28 N -0.30 1.04 -6.34 6.67 2.47 0.81 -3.38 114.38 115.36 1k1c h ARG 28 Ca 0.02 -0.10 -0.55 0.00 -1.26 0.00 0.00 59.98 58.09 1k1c h ARG 28 Cb 0.31 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1k1c h ARG 28 CO -0.07 0.75 0.88 -0.06 0.56 0.00 0.00 179.97 182.03 1k1c s PHE 29 N -5.93 2.70 -1.37 3.04 0.40 -0.30 -4.85 117.98 111.67 1k1c s PHE 29 Ca -0.13 0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 56.81 1k1c s PHE 29 Cb 0.15 -3.70 -0.05 0.00 0.51 0.00 0.00 43.02 39.93 1k1c s PHE 29 CO 0.80 -2.64 2.49 2.41 0.70 0.00 0.00 175.22 178.98 1k1c n THR 30 N 4.86 3.48 -4.16 0.64 -1.04 -1.26 -4.82 114.28 111.98 1k1c n THR 30 Ca 0.14 -2.41 -0.17 0.00 -2.04 0.00 0.00 64.05 59.57 1k1c n THR 30 Cb 0.43 -2.50 -0.12 0.00 -1.82 0.00 0.00 70.33 66.32 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 2.98 1.46 -0.98 8.00 0.01 -1.26 0.18 113.70 124.09 1k1c s SER 31 Ca 0.57 -0.58 -0.24 0.00 1.31 0.00 0.00 55.95 57.01 1k1c s SER 31 Cb 0.15 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1k1c s SER 31 CO -0.05 -0.10 1.80 -0.62 0.41 0.00 0.00 173.24 174.69 1k1c s ASP 32 N -1.62 5.58 0.24 2.44 2.15 -0.06 -4.57 116.67 120.83 1k1c s ASP 32 Ca -0.04 -1.07 -0.18 0.00 0.43 0.00 0.00 52.55 51.69 1k1c s ASP 32 Cb -0.10 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.87 1k1c s ASP 32 CO 0.02 -2.37 0.72 -0.69 -0.17 0.00 0.00 175.17 172.67 1k1c s VAL 33 N 8.53 4.61 0.32 1.11 1.01 -1.26 -0.53 120.40 134.19 1k1c s VAL 33 Ca 0.63 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1k1c s VAL 33 Cb -0.04 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1k1c s VAL 33 CO -0.01 0.13 0.38 0.49 0.00 0.00 0.00 175.10 176.09 1k1c n PHE 34 N 0.51 -1.14 -3.71 5.22 3.72 0.66 -0.07 117.46 122.65 1k1c n PHE 34 Ca -0.01 -2.37 -0.11 0.00 -0.05 0.00 0.00 57.45 54.91 1k1c n PHE 34 Cb 0.51 0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 39.37 1k1c n PHE 34 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1k1c s LEU 35 N 0.00 0.09 -0.42 4.37 2.34 0.60 -0.13 118.68 125.54 1k1c s LEU 35 Ca 0.31 0.84 0.02 0.00 0.06 0.00 0.00 54.13 55.36 1k1c s LEU 35 Cb 0.00 1.29 0.11 0.00 -0.56 0.00 0.00 46.19 47.04 1k1c s LEU 35 CO 0.22 -0.18 0.16 -1.61 -1.06 0.00 0.00 176.35 173.88 1k1c s GLU 36 N 1.12 1.77 -1.10 1.48 2.02 0.23 0.06 118.70 124.28 1k1c s GLU 36 Ca -0.07 -2.09 -0.26 0.00 0.02 0.00 0.00 54.97 52.56 1k1c s GLU 36 Cb -0.07 -3.34 -0.21 0.00 0.10 0.00 0.00 34.13 30.61 1k1c s GLU 36 CO -0.09 -1.02 2.09 0.15 0.02 0.00 0.00 175.26 176.41 1k1c s LYS 37 N 0.59 1.34 -1.28 1.61 1.02 0.28 -0.64 119.74 122.67 1k1c s LYS 37 Ca 0.12 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 1k1c s LYS 37 Cb -0.21 -5.02 0.02 0.00 -0.52 0.00 0.00 37.83 32.10 1k1c s LYS 37 CO -0.05 -5.32 0.27 -0.25 -0.92 0.00 0.00 175.35 169.07 1k1c n ASP 38 N 19.03 -4.42 0.00 2.83 8.00 0.85 -0.83 116.55 142.02 1k1c n ASP 38 Ca 0.42 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1k1c n ASP 38 Cb 0.47 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -1.07 0.85 2.93 0.44 0.00 -1.14 -5.02 105.19 102.18 1k1c n GLY 39 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.63 -2.91 1.61 4.76 -0.01 -4.91 118.16 119.33 1k1c n LYS 40 Ca 0.00 -2.56 -0.38 0.00 -2.87 0.00 0.00 58.31 52.50 1k1c n LYS 40 Cb 0.00 -3.27 -0.06 0.00 -1.84 0.00 0.00 35.03 29.86 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 3.74 4.53 0.14 1.97 2.36 -1.24 -0.55 119.74 130.69 1k1c s LYS 41 Ca 0.50 1.19 -0.14 0.00 -2.55 0.00 0.00 55.97 54.97 1k1c s LYS 41 Cb 0.12 -3.00 0.02 0.00 -1.05 0.00 0.00 37.83 33.93 1k1c s LYS 41 CO -0.03 0.41 0.37 0.54 1.55 0.00 0.00 175.35 178.20 1k1c s VAL 42 N -1.42 0.07 -0.47 4.02 0.11 0.11 -4.92 120.40 117.90 1k1c s VAL 42 Ca 0.44 -0.86 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 1k1c s VAL 42 Cb -0.20 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1k1c s VAL 42 CO 0.25 -0.32 1.78 0.21 -3.33 0.00 0.00 175.10 173.69 1k1c s ASN 43 N -2.86 5.66 0.31 3.54 3.84 -1.26 -0.29 114.94 123.88 1k1c s ASN 43 Ca 0.07 0.81 0.07 0.00 0.21 0.00 0.00 52.86 54.02 1k1c s ASN 43 Cb 0.02 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.99 1k1c s ASN 43 CO -0.08 -1.98 1.74 0.00 -2.79 0.00 0.00 177.10 173.98 1k1c h ALA 44 N 13.59 1.66 0.00 1.71 0.00 -0.66 0.66 119.26 136.20 1k1c h ALA 44 Ca -0.29 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k1c h ALA 44 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k1c h ALA 44 CO 1.12 -0.22 -0.30 1.57 0.00 0.00 0.00 179.25 181.42 1k1c h LYS 45 N 0.59 0.00 -7.05 0.00 2.10 -1.82 -3.30 116.57 107.09 1k1c h LYS 45 Ca 0.60 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.79 1k1c h LYS 45 Cb 1.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1k1c h LYS 45 CO -0.46 0.00 0.37 -1.12 -2.00 0.00 0.00 179.45 176.24 1k1c s SER 46 N -4.98 6.64 0.22 7.07 0.01 0.21 -4.86 113.70 118.02 1k1c s SER 46 Ca 0.07 1.85 -0.14 0.00 1.31 0.00 0.00 55.95 59.05 1k1c s SER 46 Cb 0.10 -2.56 0.26 0.00 0.21 0.00 0.00 66.02 64.04 1k1c s SER 46 CO 0.67 -0.57 1.60 -0.29 0.41 0.00 0.00 173.24 175.07 1k1c h ILE 47 N 1.80 0.25 0.00 1.44 2.10 -1.89 0.31 117.51 121.52 1k1c h ILE 47 Ca -0.49 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.43 1k1c h ILE 47 Cb 1.20 0.25 -0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1k1c h ILE 47 CO 0.60 0.00 -0.09 -0.03 -1.08 0.00 0.00 178.15 177.56 1k1c h MET 48 N -0.03 0.00 0.02 2.19 4.05 -1.93 0.63 114.93 119.86 1k1c h MET 48 Ca 0.33 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1k1c h MET 48 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1k1c h MET 48 CO -0.74 0.09 -0.01 0.78 0.23 0.00 0.00 176.91 177.26 1k1c h GLY 49 N 2.13 -0.03 0.00 1.39 0.00 -0.43 -0.14 103.07 106.00 1k1c h GLY 49 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1k1c h GLY 49 CO 0.01 -0.01 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1k1c n LEU 50 N -4.79 1.14 -0.29 3.11 0.00 0.30 -0.09 117.00 116.38 1k1c n LEU 50 Ca -0.09 0.38 -0.02 0.00 0.00 0.00 0.00 56.01 56.28 1k1c n LEU 50 Cb 0.32 -0.17 0.14 0.00 0.00 0.00 0.00 43.42 43.71 1k1c n LEU 50 CO 0.32 -0.17 1.20 -0.03 0.00 0.00 0.00 177.39 178.71 1k1c h MET 51 N 0.00 1.16 0.00 1.96 4.05 0.04 0.15 114.93 122.30 1k1c h MET 51 Ca 0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1k1c h MET 51 Cb 0.00 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.56 1k1c h MET 51 CO 0.00 0.83 0.00 0.43 0.23 0.00 0.00 176.91 178.40 1k1c n SER 52 N -4.36 0.00 -0.06 1.39 7.64 -1.08 -4.26 113.62 112.89 1k1c n SER 52 Ca 0.09 0.40 -0.05 0.00 1.01 0.00 0.00 58.87 60.32 1k1c n SER 52 Cb 0.08 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.00 -2.11 -3.43 4.07 -1.05 -3.34 115.31 109.45 1k1c h LEU 53 Ca 0.00 -0.35 0.05 0.00 0.08 0.00 0.00 57.88 57.66 1k1c h LEU 53 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1k1c h LEU 53 CO 0.00 0.70 0.32 0.00 -1.08 0.00 0.00 178.44 178.38 1k1c h ALA 54 N -0.65 1.66 0.00 1.53 0.00 -0.17 0.30 119.26 121.93 1k1c h ALA 54 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k1c h ALA 54 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1k1c h ALA 54 CO -0.00 -0.41 0.00 1.55 0.00 0.00 0.00 179.25 180.39 1k1c n VAL 55 N -3.36 0.69 -1.79 0.00 3.14 0.51 -2.23 118.33 115.29 1k1c n VAL 55 Ca 0.02 0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 61.15 1k1c n VAL 55 Cb 0.42 -0.98 -0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 -1.28 4.49 -4.66 6.55 7.64 0.09 -4.54 113.62 121.91 1k1c n SER 56 Ca 0.06 -2.87 -0.65 0.00 1.01 0.00 0.00 58.87 56.42 1k1c n SER 56 Cb 0.09 -1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 61.58 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 4.66 0.00 0.00 0.44 -1.04 -1.26 -0.49 114.28 116.60 1k1c n THR 57 Ca 0.52 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1k1c n THR 57 Cb 0.37 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 3.14 1.85 3.74 3.41 0.00 0.91 -4.84 105.19 113.41 1k1c n GLY 58 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.45 4.22 -1.29 2.61 2.01 0.36 -4.37 115.64 116.72 1k1c s THR 59 Ca 0.00 2.07 -0.16 0.00 0.31 0.00 0.00 61.69 63.90 1k1c s THR 59 Cb 0.00 -4.32 0.09 0.00 0.01 0.00 0.00 72.50 68.29 1k1c s THR 59 CO 0.00 0.43 1.71 -0.62 -0.69 0.00 0.00 174.62 175.45 1k1c n GLU 60 N 1.97 3.22 -3.22 4.92 -0.58 -1.25 0.01 120.64 125.71 1k1c n GLU 60 Ca -0.00 -3.36 -0.39 0.00 -0.42 0.00 0.00 57.16 52.99 1k1c n GLU 60 Cb 0.48 -3.36 -0.06 0.00 -0.57 0.00 0.00 31.44 27.93 1k1c n GLU 60 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1k1c s VAL 61 N 3.42 5.10 -0.39 2.62 -7.23 0.21 -0.10 120.40 124.02 1k1c s VAL 61 Ca 0.50 1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 61.52 1k1c s VAL 61 Cb 0.03 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 33.10 1k1c s VAL 61 CO 0.05 0.33 1.12 -0.89 -0.31 0.00 0.00 175.10 175.39 1k1c s THR 62 N 0.48 4.35 -0.31 5.32 2.01 0.19 -0.27 115.64 127.41 1k1c s THR 62 Ca 0.30 1.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.49 1k1c s THR 62 Cb -0.16 -4.50 -0.00 0.00 0.01 0.00 0.00 72.50 67.84 1k1c s THR 62 CO 0.14 -0.74 1.42 -0.76 -0.69 0.00 0.00 174.62 174.00 1k1c s LEU 63 N 4.08 3.80 0.08 4.42 2.01 0.13 -0.60 118.68 132.60 1k1c s LEU 63 Ca 0.47 1.23 0.01 0.00 0.01 0.00 0.00 54.13 55.85 1k1c s LEU 63 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.52 1k1c s LEU 63 CO 0.24 -1.23 0.17 -0.63 1.01 0.00 0.00 176.35 175.91 1k1c s ILE 64 N 4.92 5.07 -0.20 -0.59 1.01 0.82 -0.49 121.20 131.75 1k1c s ILE 64 Ca 0.62 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1k1c s ILE 64 Cb -0.18 -3.49 0.09 0.00 0.01 0.00 0.00 42.46 38.89 1k1c s ILE 64 CO 0.27 0.10 0.40 0.00 0.00 0.00 0.00 174.94 175.71 1k1c s ALA 65 N -1.51 -1.09 -0.60 9.38 0.00 0.56 -0.25 121.76 128.25 1k1c s ALA 65 Ca 0.33 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.73 1k1c s ALA 65 Cb -0.12 -1.34 0.26 0.00 0.00 0.00 0.00 23.12 21.92 1k1c s ALA 65 CO 0.26 -0.81 0.73 0.94 0.00 0.00 0.00 175.76 176.88 1k1c n GLN 66 N 5.38 2.31 -0.39 0.00 7.27 0.31 -2.63 117.38 129.63 1k1c n GLN 66 Ca -0.08 -4.47 0.00 0.00 0.07 0.00 0.00 57.00 52.52 1k1c n GLN 66 Cb 0.50 -2.10 0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 0.84 4.22 0.25 1.69 0.00 -1.26 -0.88 105.19 110.05 1k1c n GLY 67 Ca 0.29 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 0.38 -2.28 1.61 5.08 -0.63 -0.20 114.58 118.54 1k1c h GLU 68 Ca 0.00 -0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.64 1k1c h GLU 68 Cb 0.00 -0.09 -0.35 0.00 0.50 0.00 0.00 28.75 28.82 1k1c h GLU 68 CO 0.00 0.25 0.19 -0.25 -1.00 0.00 0.00 179.01 178.21 1k1c n ASP 69 N -5.02 5.89 0.00 1.42 9.92 -1.26 -4.92 116.55 122.58 1k1c n ASP 69 Ca 0.10 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.69 1k1c n ASP 69 Cb 0.32 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 1k1c n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1k1c n GLU 70 N -0.09 0.00 -0.33 -1.24 0.28 -0.09 -0.19 120.64 118.98 1k1c n GLU 70 Ca 0.38 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.53 1k1c n GLU 70 Cb 0.33 -0.55 0.30 0.00 1.43 0.00 0.00 31.44 32.95 1k1c n GLU 70 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1k1c h GLN 71 N 0.00 0.04 -0.08 3.44 -0.00 -1.79 0.48 115.11 117.21 1k1c h GLN 71 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1k1c h GLN 71 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1k1c h GLN 71 CO 0.00 0.03 0.03 1.49 0.00 0.00 0.00 178.83 180.37 1k1c h GLU 72 N 0.04 0.07 0.32 1.69 4.81 -1.91 0.14 114.58 119.74 1k1c h GLU 72 Ca 0.60 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1k1c h GLU 72 Cb 1.25 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1k1c h GLU 72 CO -0.86 0.05 -0.18 0.00 -0.73 0.00 0.00 179.01 177.28 1k1c h ALA 73 N 1.04 -0.47 -0.19 2.92 0.00 0.16 -0.64 119.26 122.08 1k1c h ALA 73 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k1c h ALA 73 Cb 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1k1c h ALA 73 CO -0.03 -0.77 0.08 1.37 0.00 0.00 0.00 179.25 179.90 1k1c h LEU 74 N -0.48 0.11 0.13 0.00 8.10 -1.13 -0.29 115.31 121.75 1k1c h LEU 74 Ca -0.04 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1k1c h LEU 74 Cb 0.38 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1k1c h LEU 74 CO 0.05 0.09 -0.06 1.05 -4.11 0.00 0.00 178.44 175.46 1k1c h GLU 75 N 0.18 -0.16 -0.17 0.17 4.11 -0.67 0.83 114.58 118.87 1k1c h GLU 75 Ca 0.08 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.55 1k1c h GLU 75 Cb 0.03 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1k1c h GLU 75 CO -0.07 0.01 0.01 1.57 0.07 0.00 0.00 179.01 180.60 1k1c h LYS 76 N -0.30 0.07 0.58 1.06 2.10 -1.01 0.13 116.57 119.20 1k1c h LYS 76 Ca -0.02 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1k1c h LYS 76 Cb 0.24 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1k1c h LYS 76 CO 0.03 0.05 -0.49 -0.07 -2.00 0.00 0.00 179.45 176.96 1k1c h LEU 77 N 0.08 -1.32 -1.54 7.07 -0.00 -0.97 0.32 115.31 118.94 1k1c h LEU 77 Ca 0.08 0.10 0.07 0.00 -0.00 0.00 0.00 57.88 58.12 1k1c h LEU 77 Cb 0.08 0.42 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 1k1c h LEU 77 CO -0.12 -0.68 0.41 0.00 -0.00 0.00 0.00 178.44 178.05 1k1c h ALA 78 N -1.01 1.85 0.00 1.53 0.00 -0.70 0.21 119.26 121.14 1k1c h ALA 78 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 78 Cb 0.89 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1k1c h ALA 78 CO -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 1k1c h ALA 79 N 1.67 -0.01 0.21 0.00 0.00 -0.32 -3.26 119.26 117.54 1k1c h ALA 79 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1k1c h ALA 79 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k1c h ALA 79 CO -0.08 -0.51 -0.10 -0.92 0.00 0.00 0.00 179.25 177.64 1k1c h TYR 80 N -0.02 -0.26 -1.73 0.00 3.20 0.70 -3.16 116.97 115.70 1k1c h TYR 80 Ca 0.00 -0.01 0.50 0.00 3.14 0.00 0.00 58.73 62.37 1k1c h TYR 80 Cb 0.03 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 1k1c h TYR 80 CO -0.09 -0.16 1.36 1.33 -1.64 0.00 0.00 178.16 178.96 1k1c n VAL 81 N -2.90 0.00 0.01 1.81 0.24 0.57 -0.95 118.33 117.11 1k1c n VAL 81 Ca -0.03 1.41 0.00 0.00 -2.04 0.00 0.00 64.34 63.68 1k1c n VAL 81 Cb 0.11 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.09 1k1c n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k1c n GLN 82 N -3.72 -0.39 0.02 7.34 10.64 -1.23 -0.35 117.38 129.68 1k1c n GLN 82 Ca 0.39 -0.66 -0.19 0.00 -1.83 0.00 0.00 57.00 54.71 1k1c n GLN 82 Cb 1.88 -1.01 -0.10 0.00 -0.86 0.00 0.00 30.24 30.15 1k1c n GLN 82 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1k1c h GLU 83 N 0.05 0.58 0.00 2.61 4.11 -1.00 -3.42 114.58 117.51 1k1c h GLU 83 Ca 0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.36 58.83 1k1c h GLU 83 Cb 0.08 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1k1c h GLU 83 CO 0.00 1.21 0.00 -0.85 0.07 0.00 0.00 179.01 179.44 1k1c n GLU 84 N -4.04 0.00 0.00 1.06 0.00 -1.26 -5.11 120.64 111.29 1k1c n GLU 84 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1k1c n GLU 84 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.21 1k1c n GLU 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41