#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 2.76 0.22 5.55 0.74 -1.26 -0.73 119.66 126.95 1k1c s GLN 3 Ca 0.00 -0.81 -0.18 0.00 0.05 0.00 0.00 55.36 54.42 1k1c s GLN 3 Cb 0.00 -2.63 0.02 0.00 1.10 0.00 0.00 33.01 31.51 1k1c s GLN 3 CO 0.00 0.53 0.57 -0.65 -0.55 0.00 0.00 175.29 175.19 1k1c s GLN 4 N -2.61 1.50 0.05 1.67 -1.52 -1.03 -4.91 119.66 112.81 1k1c s GLN 4 Ca 0.29 -0.92 -0.14 0.00 -1.95 0.00 0.00 55.36 52.64 1k1c s GLN 4 Cb -0.11 0.54 0.02 0.00 -0.22 0.00 0.00 33.01 33.24 1k1c s GLN 4 CO 0.21 -0.65 0.32 -1.59 -0.25 0.00 0.00 175.29 173.33 1k1c s LYS 5 N -3.89 0.84 -0.09 2.91 0.00 -1.26 -0.53 119.74 117.72 1k1c s LYS 5 Ca 0.11 -0.53 0.01 0.00 0.00 0.00 0.00 55.97 55.56 1k1c s LYS 5 Cb -0.02 0.37 0.02 0.00 0.00 0.00 0.00 37.83 38.19 1k1c s LYS 5 CO 0.00 -0.28 -0.10 0.08 0.00 0.00 0.00 175.35 175.06 1k1c s VAL 6 N -2.71 1.08 0.44 1.79 1.01 0.83 -4.89 120.40 117.95 1k1c s VAL 6 Ca -0.04 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1k1c s VAL 6 Cb -0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 1k1c s VAL 6 CO -0.04 0.36 0.95 -1.61 0.00 0.00 0.00 175.10 174.76 1k1c s GLU 7 N 1.29 4.17 0.00 2.72 2.02 -1.26 0.13 118.70 127.77 1k1c s GLU 7 Ca -0.03 1.07 -0.03 0.00 0.02 0.00 0.00 54.97 56.00 1k1c s GLU 7 Cb -0.14 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 1k1c s GLU 7 CO -0.04 -0.06 0.05 0.14 0.02 0.00 0.00 175.26 175.37 1k1c s VAL 8 N -2.25 0.08 -0.59 2.63 -7.23 0.66 -4.86 120.40 108.83 1k1c s VAL 8 Ca 0.61 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.90 1k1c s VAL 8 Cb -0.09 -0.29 0.04 0.00 0.56 0.00 0.00 36.38 36.60 1k1c s VAL 8 CO 0.16 -0.35 1.02 -0.60 -0.31 0.00 0.00 175.10 175.03 1k1c s ARG 9 N -1.10 3.31 -0.62 4.82 3.52 -1.26 0.16 118.95 127.79 1k1c s ARG 9 Ca -0.12 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1k1c s ARG 9 Cb -0.07 -4.09 -0.17 0.00 -1.56 0.00 0.00 34.95 29.06 1k1c s ARG 9 CO 0.00 -1.64 1.76 -0.11 -0.81 0.00 0.00 175.30 174.50 1k1c n LEU 10 N 7.87 -0.75 -0.03 -0.88 7.94 0.44 -3.96 117.00 127.63 1k1c n LEU 10 Ca 0.02 -1.31 -0.14 0.00 -1.11 0.00 0.00 56.01 53.47 1k1c n LEU 10 Cb 0.48 -0.91 -0.10 0.00 0.53 0.00 0.00 43.42 43.41 1k1c n LEU 10 CO 0.66 -2.03 0.48 0.50 -1.11 0.00 0.00 177.39 175.89 1k1c h LYS 11 N 10.63 0.20 -0.40 1.96 3.11 -0.14 0.32 116.57 132.24 1k1c h LYS 11 Ca 0.01 -0.16 0.08 0.00 -2.81 0.00 0.00 60.65 57.77 1k1c h LYS 11 Cb 1.04 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 32.24 1k1c h LYS 11 CO 1.21 0.82 -0.02 1.15 -2.81 0.00 0.00 179.45 179.79 1k1c h THR 12 N -0.36 0.67 -1.38 1.00 2.02 -1.32 -3.45 112.91 110.09 1k1c h THR 12 Ca -0.01 -0.03 -0.39 0.00 0.77 0.00 0.00 66.41 66.75 1k1c h THR 12 Cb 0.85 0.59 -0.14 0.00 -1.74 0.00 0.00 68.15 67.71 1k1c h THR 12 CO 0.04 0.01 -0.38 0.61 0.37 0.00 0.00 175.52 176.18 1k1c n GLY 13 N -1.28 1.51 3.74 2.16 0.00 -1.21 -3.80 105.19 106.30 1k1c n GLY 13 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.22 -0.00 0.99 4.77 -0.36 -3.77 117.00 115.03 1k1c n LEU 14 Ca -0.20 -0.93 -0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1k1c n LEU 14 Cb 0.64 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1k1c n LEU 14 CO 0.29 0.45 -0.01 1.56 -1.33 0.00 0.00 177.39 178.34 1k1c h GLN 15 N -0.54 0.00 0.00 3.23 1.08 -1.88 -3.40 115.11 113.60 1k1c h GLN 15 Ca -0.58 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1k1c h GLN 15 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1k1c h GLN 15 CO 0.35 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.23 1k1c n ALA 16 N -2.26 0.70 -0.28 3.87 0.00 -1.26 -5.00 120.51 116.27 1k1c n ALA 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k1c n ALA 16 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1k1c n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k1c n ARG 17 N -0.46 0.00 0.31 0.00 1.74 -1.26 -4.75 116.66 112.24 1k1c n ARG 17 Ca 0.00 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.25 1k1c n ARG 17 Cb 0.00 0.00 1.00 0.00 -1.02 0.00 0.00 32.46 32.44 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1k1c h PRO 18 N 0.00 0.00 0.36 5.56 0.13 -1.97 0.06 132.00 136.15 1k1c h PRO 18 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1k1c h PRO 18 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1k1c h PRO 18 CO 0.00 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 177.40 1k1c h ALA 19 N 2.00 -0.80 -0.04 -0.56 0.00 -1.89 0.44 119.26 118.41 1k1c h ALA 19 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1k1c h ALA 19 Cb 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1k1c h ALA 19 CO 0.00 -0.99 -0.59 0.00 0.00 0.00 0.00 179.25 177.67 1k1c h ALA 20 N -0.32 0.93 -0.85 0.00 0.00 -1.66 -0.27 119.26 117.10 1k1c h ALA 20 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1k1c h ALA 20 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1k1c h ALA 20 CO -0.07 0.73 0.56 1.25 0.00 0.00 0.00 179.25 181.71 1k1c h LEU 21 N 0.10 0.98 0.65 0.00 7.12 -0.82 0.22 115.31 123.55 1k1c h LEU 21 Ca -0.01 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1k1c h LEU 21 Cb 1.07 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1k1c h LEU 21 CO 0.09 0.72 -0.51 0.15 -0.13 0.00 0.00 178.44 178.75 1k1c h PHE 22 N 1.15 -1.38 -0.67 1.25 3.57 0.37 0.19 116.94 121.42 1k1c h PHE 22 Ca 0.31 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.94 1k1c h PHE 22 Cb -0.12 0.52 -0.09 0.00 2.79 0.00 0.00 35.95 39.04 1k1c h PHE 22 CO -0.01 -0.71 0.18 -0.39 -2.23 0.00 0.00 178.31 175.15 1k1c h VAL 23 N -1.12 0.61 0.00 1.41 -1.51 -0.66 0.88 116.25 115.87 1k1c h VAL 23 Ca -0.08 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1k1c h VAL 23 Cb 0.93 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1k1c h VAL 23 CO 0.01 0.06 -0.11 0.06 -1.23 0.00 0.00 177.57 176.36 1k1c h GLN 24 N 0.31 0.00 -0.07 5.19 -0.00 -0.27 0.28 115.11 120.56 1k1c h GLN 24 Ca 0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.92 1k1c h GLN 24 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 1k1c h GLN 24 CO -0.43 0.11 -0.31 0.93 -0.00 0.00 0.00 178.83 179.13 1k1c h GLU 25 N 0.00 0.33 -0.34 0.06 4.39 0.12 0.60 114.58 119.74 1k1c h GLU 25 Ca -0.00 -0.27 0.07 0.00 0.34 0.00 0.00 59.36 59.51 1k1c h GLU 25 Cb 0.58 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 1k1c h GLU 25 CO 0.01 0.91 -0.13 0.00 -1.16 0.00 0.00 179.01 178.64 1k1c h ALA 26 N 0.43 0.15 -0.60 3.43 0.00 -0.67 -1.31 119.26 120.69 1k1c h ALA 26 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1k1c h ALA 26 Cb 0.96 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1k1c h ALA 26 CO 0.06 -0.51 0.17 -0.91 0.00 0.00 0.00 179.25 178.06 1k1c h ASN 27 N -0.07 0.10 -0.64 0.00 2.35 -0.38 -2.05 115.58 114.89 1k1c h ASN 27 Ca 0.17 0.10 0.19 0.00 -0.55 0.00 0.00 56.30 56.20 1k1c h ASN 27 Cb 0.33 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1k1c h ASN 27 CO -0.39 0.06 0.67 0.03 -1.65 0.00 0.00 177.43 176.15 1k1c h ARG 28 N 0.32 0.00 0.00 0.81 3.08 0.14 -2.98 114.38 115.75 1k1c h ARG 28 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1k1c h ARG 28 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1k1c h ARG 28 CO -0.36 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 179.73 1k1c n PHE 29 N -3.65 0.00 0.14 3.04 3.72 -0.77 -5.06 117.46 114.88 1k1c n PHE 29 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1k1c n PHE 29 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 -0.07 4.37 -2.24 -1.13 -4.92 114.28 110.30 1k1c n THR 30 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1k1c n THR 30 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.08 -0.03 -4.55 3.42 7.64 -1.26 -4.83 113.62 110.93 1k1c n SER 31 Ca 0.00 0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.53 1k1c n SER 31 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.02 6.20 0.37 6.43 2.15 0.21 -4.58 116.67 127.42 1k1c s ASP 32 Ca 0.04 -0.81 -0.22 0.00 0.43 0.00 0.00 52.55 51.99 1k1c s ASP 32 Cb -0.05 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.90 1k1c s ASP 32 CO 0.03 -1.78 0.91 -0.69 -0.17 0.00 0.00 175.17 173.47 1k1c s VAL 33 N 5.81 4.37 0.17 1.11 1.01 -1.26 -0.33 120.40 131.28 1k1c s VAL 33 Ca 0.43 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.96 1k1c s VAL 33 Cb -0.05 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1k1c s VAL 33 CO 0.05 -0.12 -0.01 -0.36 0.00 0.00 0.00 175.10 174.66 1k1c s PHE 34 N -1.94 1.21 -0.05 5.22 0.08 0.43 0.49 117.98 123.43 1k1c s PHE 34 Ca 0.56 -1.00 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 1k1c s PHE 34 Cb -0.13 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1k1c s PHE 34 CO 0.17 -0.19 0.06 -1.17 -0.10 0.00 0.00 175.22 174.00 1k1c s LEU 35 N -3.17 0.16 -0.73 -0.37 2.96 0.71 0.07 118.68 118.31 1k1c s LEU 35 Ca 0.23 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1k1c s LEU 35 Cb 0.06 -0.15 0.18 0.00 0.50 0.00 0.00 46.19 46.78 1k1c s LEU 35 CO 0.04 -0.25 0.55 -1.61 -1.32 0.00 0.00 176.35 173.76 1k1c s GLU 36 N 2.16 2.71 -0.84 1.98 2.02 0.96 0.02 118.70 127.70 1k1c s GLU 36 Ca 0.05 -3.07 -0.21 0.00 0.02 0.00 0.00 54.97 51.75 1k1c s GLU 36 Cb -0.12 -3.66 -0.19 0.00 0.10 0.00 0.00 34.13 30.26 1k1c s GLU 36 CO -0.03 -1.23 2.33 1.63 0.02 0.00 0.00 175.26 177.98 1k1c n LYS 37 N 2.54 0.40 -2.69 1.61 5.02 0.48 -0.30 118.16 125.22 1k1c n LYS 37 Ca 0.16 -0.65 -0.15 0.00 -2.02 0.00 0.00 58.31 55.64 1k1c n LYS 37 Cb 0.36 -3.00 -0.00 0.00 -0.02 0.00 0.00 35.03 32.36 1k1c n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k1c n ASP 38 N 15.33 -4.01 0.00 4.39 8.00 0.81 -0.66 116.55 140.42 1k1c n ASP 38 Ca 0.52 0.03 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1k1c n ASP 38 Cb 0.36 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 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 -0.94 1.70 3.26 0.44 0.00 -0.26 -5.03 105.19 104.36 1k1c n GLY 39 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.13 2.55 -3.02 1.61 5.02 0.17 -4.84 118.16 119.52 1k1c n LYS 40 Ca 0.00 -2.72 -0.39 0.00 -2.02 0.00 0.00 58.31 53.18 1k1c n LYS 40 Cb 0.00 -3.39 -0.06 0.00 -0.02 0.00 0.00 35.03 31.56 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 4.45 4.51 0.29 1.97 2.36 -1.22 -0.39 119.74 131.72 1k1c s LYS 41 Ca 0.55 1.10 -0.03 0.00 -2.55 0.00 0.00 55.97 55.04 1k1c s LYS 41 Cb 0.08 -3.26 -0.02 0.00 -1.05 0.00 0.00 37.83 33.59 1k1c s LYS 41 CO 0.05 0.58 0.36 0.54 1.55 0.00 0.00 175.35 178.42 1k1c s VAL 42 N -1.15 0.00 -1.13 4.02 0.11 0.10 -4.89 120.40 117.47 1k1c s VAL 42 Ca 0.35 -1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 57.46 1k1c s VAL 42 Cb -0.23 -2.49 0.06 0.00 -1.53 0.00 0.00 36.38 32.19 1k1c s VAL 42 CO 0.25 0.00 1.56 0.21 -3.33 0.00 0.00 175.10 173.79 1k1c s ASN 43 N -3.20 6.65 0.29 3.54 3.04 -1.26 -0.21 114.94 123.80 1k1c s ASN 43 Ca 0.33 -1.89 0.03 0.00 0.04 0.00 0.00 52.86 51.37 1k1c s ASN 43 Cb 0.02 -2.57 0.65 0.00 -1.54 0.00 0.00 41.25 37.81 1k1c s ASN 43 CO 0.17 -1.35 1.79 0.00 -3.04 0.00 0.00 177.10 174.67 1k1c h ALA 44 N 8.85 1.55 0.00 1.71 0.00 -0.16 0.85 119.26 132.05 1k1c h ALA 44 Ca 0.30 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1k1c h ALA 44 Cb 0.95 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1k1c h ALA 44 CO 1.43 0.01 -0.02 1.57 0.00 0.00 0.00 179.25 182.24 1k1c h LYS 45 N 0.79 0.00 -6.32 0.00 2.10 -1.73 -3.30 116.57 108.11 1k1c h LYS 45 Ca 0.54 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.66 1k1c h LYS 45 Cb 0.75 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1k1c h LYS 45 CO -0.35 0.02 -0.20 0.45 -2.00 0.00 0.00 179.45 177.37 1k1c s SER 46 N -5.88 4.92 0.19 7.07 0.15 -0.01 -4.61 113.70 115.54 1k1c s SER 46 Ca 0.03 -0.99 -0.19 0.00 0.70 0.00 0.00 55.95 55.50 1k1c s SER 46 Cb 0.08 0.27 0.15 0.00 -1.71 0.00 0.00 66.02 64.81 1k1c s SER 46 CO 0.59 -1.19 1.60 -0.29 1.20 0.00 0.00 173.24 175.15 1k1c h ILE 47 N 0.47 0.22 -0.23 6.45 -0.00 -1.88 -0.58 117.51 121.96 1k1c h ILE 47 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.53 1k1c h ILE 47 Cb 1.29 0.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.32 1k1c h ILE 47 CO 0.49 0.00 0.15 -0.03 -0.00 0.00 0.00 178.15 178.76 1k1c h MET 48 N -0.13 0.31 0.07 2.19 4.05 -1.95 0.18 114.93 119.65 1k1c h MET 48 Ca 0.25 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1k1c h MET 48 Cb 0.53 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1k1c h MET 48 CO -0.66 0.21 -0.04 0.78 0.23 0.00 0.00 176.91 177.44 1k1c h GLY 49 N 0.31 -0.10 0.14 1.39 0.00 -0.64 0.20 103.07 104.37 1k1c h GLY 49 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1k1c h GLY 49 CO -0.02 -0.04 -0.53 -2.00 0.00 0.00 0.00 176.54 173.95 1k1c h LEU 50 N -0.49 -1.60 -0.08 3.11 6.46 -0.99 0.11 115.31 121.83 1k1c h LEU 50 Ca -0.01 0.17 -0.25 0.00 -0.12 0.00 0.00 57.88 57.67 1k1c h LEU 50 Cb 0.42 0.59 0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1k1c h LEU 50 CO 0.02 -0.57 -0.97 -0.03 -0.62 0.00 0.00 178.44 176.27 1k1c h MET 51 N -0.77 0.63 0.00 1.25 4.05 -0.72 -1.57 114.93 117.79 1k1c h MET 51 Ca -0.01 -0.64 0.00 0.00 -0.28 0.00 0.00 59.70 58.77 1k1c h MET 51 Cb 0.77 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1k1c h MET 51 CO -0.28 1.25 -0.01 0.77 0.23 0.00 0.00 176.91 178.87 1k1c h SER 52 N 0.37 0.00 0.00 1.39 0.02 -0.96 -3.35 113.55 111.02 1k1c h SER 52 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1k1c h SER 52 Cb 1.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1k1c h SER 52 CO 0.19 0.04 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.77 1k1c h LEU 53 N -0.07 0.00 -1.97 5.07 -0.00 -1.61 -3.33 115.31 113.40 1k1c h LEU 53 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.16 1k1c h LEU 53 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1k1c h LEU 53 CO 0.00 0.90 0.12 0.00 -0.00 0.00 0.00 178.44 179.46 1k1c h ALA 54 N -0.28 1.11 0.00 1.53 0.00 -0.80 0.21 119.26 121.02 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 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k1c h ALA 54 CO -0.01 -0.11 0.00 1.55 0.00 0.00 0.00 179.25 180.68 1k1c n VAL 55 N -2.63 0.33 -2.17 0.00 3.14 -0.59 -1.23 118.33 115.18 1k1c n VAL 55 Ca -0.02 0.08 -0.42 0.00 -2.96 0.00 0.00 64.34 61.02 1k1c n VAL 55 Cb 0.17 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 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 -1.39 4.62 -4.70 6.55 7.64 0.06 -4.46 113.62 121.94 1k1c n SER 56 Ca 0.08 -2.98 -0.59 0.00 1.01 0.00 0.00 58.87 56.39 1k1c n SER 56 Cb 0.23 -1.58 -0.08 0.00 -1.01 0.00 0.00 64.21 61.78 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 4.34 0.19 -0.34 0.44 -1.04 -1.24 -1.59 114.28 115.04 1k1c n THR 57 Ca 0.45 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1k1c n THR 57 Cb 0.39 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 3.86 0.81 3.58 3.41 0.00 0.11 -4.94 105.19 112.02 1k1c n GLY 58 Ca 0.26 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1k1c n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k1c s THR 59 N -2.00 3.63 -1.32 2.61 -4.23 -0.62 -4.75 115.64 108.96 1k1c s THR 59 Ca 0.00 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.73 1k1c s THR 59 Cb 0.00 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.40 1k1c s THR 59 CO 0.00 0.52 1.79 -0.62 -0.54 0.00 0.00 174.62 175.77 1k1c n GLU 60 N 1.97 3.17 -3.31 3.99 -0.58 -1.23 -0.42 120.64 124.24 1k1c n GLU 60 Ca -0.17 -3.24 -0.38 0.00 -0.42 0.00 0.00 57.16 52.95 1k1c n GLU 60 Cb 0.53 -3.40 -0.06 0.00 -0.57 0.00 0.00 31.44 27.94 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 3.66 5.02 -0.55 2.62 -7.23 0.12 -0.13 120.40 123.91 1k1c s VAL 61 Ca 0.51 1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 61.46 1k1c s VAL 61 Cb 0.05 -3.84 0.03 0.00 0.56 0.00 0.00 36.38 33.18 1k1c s VAL 61 CO 0.04 0.43 1.16 -0.89 -0.31 0.00 0.00 175.10 175.52 1k1c s THR 62 N -0.13 4.10 -0.49 5.32 2.01 0.59 -0.25 115.64 126.79 1k1c s THR 62 Ca 0.28 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 1k1c s THR 62 Cb -0.17 -4.67 0.03 0.00 0.01 0.00 0.00 72.50 67.70 1k1c s THR 62 CO 0.14 -1.22 1.09 -0.22 -0.69 0.00 0.00 174.62 173.72 1k1c s LEU 63 N 4.72 3.71 0.16 4.42 1.98 0.12 -0.03 118.68 133.76 1k1c s LEU 63 Ca 0.43 0.29 -0.03 0.00 -2.89 0.00 0.00 54.13 51.94 1k1c s LEU 63 Cb -0.08 -3.38 -0.05 0.00 0.66 0.00 0.00 46.19 43.35 1k1c s LEU 63 CO 0.27 -1.25 0.36 -0.63 -1.89 0.00 0.00 176.35 173.22 1k1c s ILE 64 N 4.36 5.21 -0.19 6.68 1.01 0.11 -0.12 121.20 138.26 1k1c s ILE 64 Ca 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 1k1c s ILE 64 Cb -0.08 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.78 1k1c s ILE 64 CO 0.29 -0.04 0.07 0.00 0.00 0.00 0.00 174.94 175.27 1k1c s ALA 65 N -1.73 0.65 -0.81 9.38 0.00 0.31 -0.43 121.76 129.13 1k1c s ALA 65 Ca 0.39 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1k1c s ALA 65 Cb -0.12 -1.11 0.28 0.00 0.00 0.00 0.00 23.12 22.17 1k1c s ALA 65 CO 0.27 -1.21 1.08 0.94 0.00 0.00 0.00 175.76 176.84 1k1c n GLN 66 N 5.19 3.43 -0.46 0.00 7.27 0.55 -2.46 117.38 130.91 1k1c n GLN 66 Ca -0.08 -4.65 0.00 0.00 0.07 0.00 0.00 57.00 52.34 1k1c n GLN 66 Cb 0.48 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.77 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 0.87 2.96 0.30 1.69 0.00 0.09 -0.62 105.19 110.48 1k1c n GLY 67 Ca 0.30 -0.97 0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.31 1.61 4.39 -1.88 0.07 114.58 118.46 1k1c h GLU 68 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1k1c h GLU 68 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1k1c h GLU 68 CO 0.00 0.00 0.01 -0.25 -1.16 0.00 0.00 179.01 177.61 1k1c n ASP 69 N -3.76 3.76 0.00 1.42 9.92 -1.26 -4.95 116.55 121.68 1k1c n ASP 69 Ca -0.03 -3.15 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1k1c n ASP 69 Cb 0.08 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 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 -0.57 0.00 -0.30 -1.24 -0.00 0.01 0.24 120.64 118.77 1k1c n GLU 70 Ca 0.25 0.22 0.13 0.00 -0.00 0.00 0.00 57.16 57.76 1k1c n GLU 70 Cb 0.96 -0.51 0.29 0.00 -0.00 0.00 0.00 31.44 32.18 1k1c n GLU 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1k1c h GLN 71 N 0.00 0.16 -0.15 3.44 5.75 -1.87 0.20 115.11 122.64 1k1c h GLN 71 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1k1c h GLN 71 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1k1c h GLN 71 CO 0.00 0.11 0.06 1.49 -2.65 0.00 0.00 178.83 177.84 1k1c h GLU 72 N 0.17 0.22 0.88 1.69 4.57 -1.13 0.15 114.58 121.12 1k1c h GLU 72 Ca 0.56 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.66 1k1c h GLU 72 Cb 1.14 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1k1c h GLU 72 CO -0.70 0.30 -0.42 0.00 -1.18 0.00 0.00 179.01 177.01 1k1c h ALA 73 N 0.91 -1.18 -0.45 2.92 0.00 0.26 -0.73 119.26 120.99 1k1c h ALA 73 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1k1c h ALA 73 Cb 0.16 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1k1c h ALA 73 CO -0.00 -1.15 0.30 1.37 0.00 0.00 0.00 179.25 179.77 1k1c h LEU 74 N -1.22 0.51 0.79 0.00 8.10 -0.85 -0.04 115.31 122.58 1k1c h LEU 74 Ca -0.12 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.82 1k1c h LEU 74 Cb 0.91 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 1k1c h LEU 74 CO 0.20 0.36 -0.41 -0.33 -4.11 0.00 0.00 178.44 174.15 1k1c h GLU 75 N 0.60 -1.06 -0.29 0.17 5.08 -0.70 0.16 114.58 118.54 1k1c h GLU 75 Ca 0.17 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1k1c h GLU 75 Cb -0.05 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1k1c h GLU 75 CO -0.04 -0.71 0.10 0.87 -1.00 0.00 0.00 179.01 178.24 1k1c h LYS 76 N -1.10 0.22 0.01 2.33 1.57 -0.52 0.41 116.57 119.50 1k1c h LYS 76 Ca -0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1k1c h LYS 76 Cb 0.86 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1k1c h LYS 76 CO 0.16 0.15 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.11 1k1c h LEU 77 N 0.23 -0.01 -1.43 2.94 -0.00 -1.02 0.14 115.31 116.16 1k1c h LEU 77 Ca 0.13 -0.41 -0.05 0.00 -0.00 0.00 0.00 57.88 57.55 1k1c h LEU 77 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1k1c h LEU 77 CO -0.14 0.41 -0.14 0.00 -0.00 0.00 0.00 178.44 178.57 1k1c h ALA 78 N 0.54 1.53 0.70 1.53 0.00 -0.64 0.13 119.26 123.05 1k1c h ALA 78 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1k1c h ALA 78 Cb 0.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1k1c h ALA 78 CO 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 179.25 179.25 1k1c h ALA 79 N 1.67 -0.94 -0.01 0.00 0.00 -0.76 -3.29 119.26 115.93 1k1c h ALA 79 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k1c h ALA 79 Cb 0.37 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1k1c h ALA 79 CO 0.02 -1.02 -0.07 -0.92 0.00 0.00 0.00 179.25 177.27 1k1c h TYR 80 N -0.97 -0.20 -1.40 0.00 5.03 -0.06 -2.99 116.97 116.37 1k1c h TYR 80 Ca -0.10 0.01 0.44 0.00 2.58 0.00 0.00 58.73 61.66 1k1c h TYR 80 Cb 0.73 0.09 -0.11 0.00 1.55 0.00 0.00 36.73 38.99 1k1c h TYR 80 CO -0.02 -0.07 0.94 -0.39 -1.32 0.00 0.00 178.16 177.30 1k1c h VAL 81 N -0.08 0.16 -0.24 1.81 -1.51 -0.89 0.12 116.25 115.62 1k1c h VAL 81 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1k1c h VAL 81 Cb 0.09 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.32 1k1c h VAL 81 CO -0.05 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.30 1k1c n GLN 82 N -4.49 2.78 0.01 5.19 10.64 -1.19 0.56 117.38 130.88 1k1c n GLN 82 Ca 0.36 -2.26 -0.00 0.00 -1.83 0.00 0.00 57.00 53.27 1k1c n GLN 82 Cb 1.47 -1.43 -0.00 0.00 -0.86 0.00 0.00 30.24 29.43 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 -0.10 0.01 -1.17 2.61 0.00 0.01 -4.64 120.64 117.37 1k1c n GLU 83 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.10 1k1c n GLU 83 Cb 0.56 -0.16 -0.13 0.00 0.00 0.00 0.00 31.44 31.72 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 -2.76 2.40 0.00 5.31 0.28 -1.12 -5.05 120.64 119.70 1k1c n GLU 84 Ca -0.00 -1.49 0.00 0.00 -0.16 0.00 0.00 57.16 55.50 1k1c n GLU 84 Cb 0.01 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 30.72 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30