#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 3.42 0.06 5.55 0.74 -1.26 -1.01 119.66 127.16 1k1c s GLN 3 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.78 1k1c s GLN 3 Cb 0.00 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 1k1c s GLN 3 CO 0.00 0.04 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.60 1k1c s GLN 4 N 0.82 0.66 0.07 1.67 -0.44 -0.98 -4.95 119.66 116.51 1k1c s GLN 4 Ca -0.03 -1.17 -0.12 0.00 -2.50 0.00 0.00 55.36 51.55 1k1c s GLN 4 Cb -0.15 0.00 0.01 0.00 -1.64 0.00 0.00 33.01 31.24 1k1c s GLN 4 CO 0.01 -0.06 0.26 -1.59 0.50 0.00 0.00 175.29 174.42 1k1c s LYS 5 N -3.45 0.85 0.02 1.67 0.00 -1.26 -0.24 119.74 117.33 1k1c s LYS 5 Ca 0.05 -0.73 0.02 0.00 0.00 0.00 0.00 55.97 55.31 1k1c s LYS 5 Cb 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 37.83 38.21 1k1c s LYS 5 CO -0.06 -0.28 -0.06 0.14 0.00 0.00 0.00 175.35 175.08 1k1c s VAL 6 N -3.27 0.43 0.49 1.79 -7.23 0.12 -4.88 120.40 107.85 1k1c s VAL 6 Ca 0.00 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1k1c s VAL 6 Cb 0.02 -0.46 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1k1c s VAL 6 CO -0.08 -0.19 0.71 -1.83 -0.31 0.00 0.00 175.10 173.40 1k1c s GLU 7 N -0.96 2.90 0.07 4.82 4.04 -1.26 -0.23 118.70 128.07 1k1c s GLU 7 Ca -0.06 -0.56 -0.18 0.00 0.04 0.00 0.00 54.97 54.21 1k1c s GLU 7 Cb -0.07 -2.53 0.04 0.00 0.02 0.00 0.00 34.13 31.59 1k1c s GLU 7 CO 0.00 -0.42 0.41 0.14 -1.84 0.00 0.00 175.26 173.55 1k1c s VAL 8 N -2.63 0.06 -0.15 1.83 -7.23 0.76 -4.90 120.40 108.14 1k1c s VAL 8 Ca 0.51 -0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.99 1k1c s VAL 8 Cb -0.10 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1k1c s VAL 8 CO 0.38 -0.27 0.55 -0.60 -0.31 0.00 0.00 175.10 174.85 1k1c s ARG 9 N -2.84 4.28 -1.09 4.82 3.52 -1.26 0.63 118.95 127.01 1k1c s ARG 9 Ca -0.03 0.53 -0.26 0.00 -0.13 0.00 0.00 55.73 55.84 1k1c s ARG 9 Cb -0.00 -3.51 -0.20 0.00 -1.56 0.00 0.00 34.95 29.68 1k1c s ARG 9 CO -0.05 -0.03 2.10 -1.17 -0.81 0.00 0.00 175.30 175.33 1k1c s LEU 10 N 1.24 2.48 0.05 -0.88 2.96 0.62 -3.97 118.68 121.17 1k1c s LEU 10 Ca 0.27 -1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 52.94 1k1c s LEU 10 Cb -0.16 -2.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.80 1k1c s LEU 10 CO 0.11 -4.48 1.33 0.50 -1.32 0.00 0.00 176.35 172.48 1k1c h LYS 11 N 11.35 0.46 -0.04 1.98 3.11 -1.18 0.31 116.57 132.55 1k1c h LYS 11 Ca 0.04 -0.27 0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1k1c h LYS 11 Cb 0.99 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1k1c h LYS 11 CO 1.05 0.86 -0.36 1.79 -2.81 0.00 0.00 179.45 179.98 1k1c h THR 12 N 0.09 0.00 -2.22 1.00 1.35 -1.14 -3.46 112.91 108.53 1k1c h THR 12 Ca 0.02 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.49 1k1c h THR 12 Cb 0.82 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.16 1k1c h THR 12 CO 0.06 0.00 -0.43 0.61 -0.25 0.00 0.00 175.52 175.51 1k1c n GLY 13 N -1.30 0.56 3.63 5.82 0.00 -1.18 -3.84 105.19 108.89 1k1c n GLY 13 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.64 -1.45 -0.03 0.99 4.77 -0.31 -3.70 117.00 114.63 1k1c n LEU 14 Ca -0.21 -0.85 -0.03 0.00 -0.03 0.00 0.00 56.01 54.89 1k1c n LEU 14 Cb 0.65 -1.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1k1c n LEU 14 CO 0.27 0.37 -0.23 0.00 -1.33 0.00 0.00 177.39 176.47 1k1c n GLN 15 N -2.42 0.18 0.00 3.23 6.02 -1.25 -4.42 117.38 118.72 1k1c n GLN 15 Ca -0.27 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1k1c n GLN 15 Cb 0.59 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 31.04 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 -3.19 1.59 -0.35 -1.58 0.00 -1.26 -4.95 120.51 110.78 1k1c n ALA 16 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1k1c n ALA 16 Cb 0.18 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.35 0.00 0.34 0.00 1.74 -1.26 -4.76 116.66 111.36 1k1c n ARG 17 Ca 0.00 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.27 1k1c n ARG 17 Cb 0.19 0.00 1.03 0.00 -1.02 0.00 0.00 32.46 32.66 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 0.31 5.56 0.13 -1.96 0.16 132.00 136.20 1k1c h PRO 18 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 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 -0.41 0.00 -0.23 0.00 0.00 178.00 177.36 1k1c h ALA 19 N 1.68 -1.03 0.00 -0.56 0.00 -1.87 0.32 119.26 117.80 1k1c h ALA 19 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1k1c h ALA 19 Cb 0.33 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1k1c h ALA 19 CO -0.00 -1.08 -0.55 0.00 0.00 0.00 0.00 179.25 177.63 1k1c h ALA 20 N -0.97 1.04 -0.32 0.00 0.00 -1.46 -1.74 119.26 115.81 1k1c h ALA 20 Ca -0.04 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1k1c h ALA 20 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1k1c h ALA 20 CO -0.11 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.16 1k1c h LEU 21 N 0.00 0.06 -0.05 0.00 6.46 -0.58 0.45 115.31 121.65 1k1c h LEU 21 Ca -0.01 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1k1c h LEU 21 Cb 1.00 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 1k1c h LEU 21 CO 0.07 0.07 -0.38 0.15 -0.62 0.00 0.00 178.44 177.73 1k1c h PHE 22 N 0.21 -1.13 -0.89 1.25 3.04 -0.07 0.24 116.94 119.59 1k1c h PHE 22 Ca 0.15 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.19 1k1c h PHE 22 Cb 0.14 0.50 -0.06 0.00 2.56 0.00 0.00 35.95 39.09 1k1c h PHE 22 CO -0.16 -0.40 0.56 -0.39 -2.02 0.00 0.00 178.31 175.90 1k1c h VAL 23 N -0.45 1.08 -0.21 1.41 -1.51 -0.87 0.12 116.25 115.82 1k1c h VAL 23 Ca 0.01 -0.36 -0.18 0.00 -1.23 0.00 0.00 66.70 64.94 1k1c h VAL 23 Cb 0.50 -0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1k1c h VAL 23 CO -0.28 0.19 -0.60 0.06 -1.23 0.00 0.00 177.57 175.71 1k1c h GLN 24 N 1.04 0.70 -0.11 5.19 -0.00 0.18 0.17 115.11 122.29 1k1c h GLN 24 Ca 0.37 -0.48 -0.07 0.00 -0.00 0.00 0.00 58.65 58.48 1k1c h GLN 24 Cb 0.11 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1k1c h GLN 24 CO -0.15 1.10 -0.20 1.05 -0.00 0.00 0.00 178.83 180.63 1k1c h GLU 25 N 0.53 0.32 -0.42 0.06 4.11 -0.06 0.53 114.58 119.65 1k1c h GLU 25 Ca -0.00 -0.21 0.08 0.00 0.07 0.00 0.00 59.36 59.30 1k1c h GLU 25 Cb 1.19 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.37 1k1c h GLU 25 CO 0.12 0.80 -0.34 0.00 0.07 0.00 0.00 179.01 179.66 1k1c h ALA 26 N 0.53 -0.19 -0.59 1.06 0.00 -0.95 0.62 119.26 119.75 1k1c h ALA 26 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1k1c h ALA 26 Cb 0.78 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1k1c h ALA 26 CO 0.04 -0.73 0.07 -0.91 0.00 0.00 0.00 179.25 177.72 1k1c h ASN 27 N -0.25 -0.12 -0.08 0.00 2.35 -0.44 -1.97 115.58 115.07 1k1c h ASN 27 Ca 0.18 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1k1c h ASN 27 Cb 0.54 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 1k1c h ASN 27 CO -0.56 -0.05 0.25 0.03 -1.65 0.00 0.00 177.43 175.45 1k1c h ARG 28 N 0.19 0.00 0.00 0.81 3.08 0.24 -3.26 114.38 115.45 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1k1c h ARG 28 CO -0.45 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 179.64 1k1c n PHE 29 N -3.19 0.00 0.17 3.04 3.72 -0.74 -5.06 117.46 115.40 1k1c n PHE 29 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1k1c n PHE 29 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.37 4.37 -2.24 -1.23 -4.91 114.28 109.90 1k1c n THR 30 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 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 -3.22 -0.79 -4.58 3.42 7.64 -1.26 -4.82 113.62 110.01 1k1c n SER 31 Ca 0.00 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.76 1k1c n SER 31 Cb 0.00 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1k1c n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1k1c s ASP 32 N -0.29 5.94 0.47 6.43 1.01 -0.03 -4.63 116.67 125.57 1k1c s ASP 32 Ca 0.17 -1.98 -0.23 0.00 0.71 0.00 0.00 52.55 51.22 1k1c s ASP 32 Cb -0.19 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.09 1k1c s ASP 32 CO 0.18 -2.12 1.17 -0.69 0.21 0.00 0.00 175.17 173.92 1k1c s VAL 33 N 7.58 3.06 0.05 -1.27 1.01 -1.26 -0.53 120.40 129.04 1k1c s VAL 33 Ca 0.61 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 1k1c s VAL 33 Cb 0.01 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1k1c s VAL 33 CO 0.09 -0.02 0.03 -0.36 0.00 0.00 0.00 175.10 174.84 1k1c s PHE 34 N -1.55 0.34 -0.10 5.22 0.08 0.47 0.18 117.98 122.61 1k1c s PHE 34 Ca 0.65 -0.75 -0.00 0.00 0.12 0.00 0.00 56.93 56.94 1k1c s PHE 34 Cb -0.29 -0.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 1k1c s PHE 34 CO 0.35 -0.36 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.86 1k1c s LEU 35 N -2.43 1.20 -0.27 -0.37 2.96 0.56 0.10 118.68 120.43 1k1c s LEU 35 Ca -0.01 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1k1c s LEU 35 Cb 0.02 -0.79 0.06 0.00 0.50 0.00 0.00 46.19 45.97 1k1c s LEU 35 CO -0.07 -0.10 -0.09 -1.83 -1.32 0.00 0.00 176.35 172.94 1k1c s GLU 36 N 1.56 2.28 -0.63 1.98 4.04 0.65 -0.38 118.70 128.19 1k1c s GLU 36 Ca 0.02 -1.33 -0.27 0.00 0.04 0.00 0.00 54.97 53.43 1k1c s GLU 36 Cb -0.13 -2.95 -0.01 0.00 0.02 0.00 0.00 34.13 31.07 1k1c s GLU 36 CO -0.06 -0.58 1.72 0.21 -1.84 0.00 0.00 175.26 174.71 1k1c s LYS 37 N 1.13 2.78 -1.39 -4.83 2.20 0.08 -0.66 119.74 119.05 1k1c s LYS 37 Ca -0.08 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1k1c s LYS 37 Cb -0.20 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 1k1c s LYS 37 CO -0.04 -2.57 0.00 -0.25 -0.36 0.00 0.00 175.35 172.13 1k1c n ASP 38 N 11.89 -4.73 0.00 1.43 9.92 -1.26 -1.08 116.55 132.72 1k1c n ASP 38 Ca 0.16 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1k1c n ASP 38 Cb 0.51 -3.99 0.00 0.00 -0.64 0.00 0.00 41.12 37.00 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 -0.85 1.11 3.57 0.44 0.00 -1.16 -5.02 105.19 103.29 1k1c n GLY 39 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1k1c n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1c s LYS 40 N -0.03 3.52 0.24 1.61 -2.85 -0.24 -4.82 119.74 117.16 1k1c s LYS 40 Ca 0.00 -1.49 -0.05 0.00 -1.00 0.00 0.00 55.97 53.42 1k1c s LYS 40 Cb 0.00 -5.40 -0.06 0.00 -2.06 0.00 0.00 37.83 30.31 1k1c s LYS 40 CO 0.00 -2.63 0.50 0.21 0.10 0.00 0.00 175.35 173.53 1k1c s LYS 41 N 5.03 3.65 0.15 1.78 2.36 -1.24 -0.75 119.74 130.72 1k1c s LYS 41 Ca 0.56 0.01 -0.14 0.00 -2.55 0.00 0.00 55.97 53.84 1k1c s LYS 41 Cb 0.01 -2.71 0.02 0.00 -1.05 0.00 0.00 37.83 34.11 1k1c s LYS 41 CO 0.04 0.30 0.40 0.14 1.55 0.00 0.00 175.35 177.78 1k1c s VAL 42 N -1.92 0.06 -0.66 4.02 -7.23 0.49 -4.87 120.40 110.29 1k1c s VAL 42 Ca 0.43 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.51 1k1c s VAL 42 Cb -0.11 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1k1c s VAL 42 CO 0.27 -0.29 1.92 0.21 -0.31 0.00 0.00 175.10 176.90 1k1c s ASN 43 N -2.86 5.17 0.31 4.85 3.04 -1.26 -0.33 114.94 123.87 1k1c s ASN 43 Ca 0.07 0.19 0.07 0.00 0.04 0.00 0.00 52.86 53.24 1k1c s ASN 43 Cb 0.02 -2.53 0.80 0.00 -1.54 0.00 0.00 41.25 38.00 1k1c s ASN 43 CO -0.07 -2.50 1.73 0.00 -3.04 0.00 0.00 177.10 173.22 1k1c h ALA 44 N 14.56 1.64 0.00 1.71 0.00 -0.50 0.23 119.26 136.90 1k1c h ALA 44 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1k1c h ALA 44 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k1c h ALA 44 CO 1.21 -0.25 0.00 1.57 0.00 0.00 0.00 179.25 181.78 1k1c h LYS 45 N 0.55 0.00 -6.35 0.00 2.10 -1.75 -3.10 116.57 108.03 1k1c h LYS 45 Ca 0.60 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.80 1k1c h LYS 45 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1k1c h LYS 45 CO -0.47 0.00 -0.29 -1.12 -2.00 0.00 0.00 179.45 175.57 1k1c s SER 46 N -5.33 5.37 0.14 7.07 0.01 0.71 -4.62 113.70 117.04 1k1c s SER 46 Ca 0.05 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 1k1c s SER 46 Cb 0.09 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 1k1c s SER 46 CO 0.55 -0.79 1.31 0.00 0.41 0.00 0.00 173.24 174.73 1k1c n ILE 47 N -1.78 -0.58 0.19 1.44 0.00 -1.26 -0.47 119.36 116.90 1k1c n ILE 47 Ca 0.07 2.06 0.05 0.00 0.00 0.00 0.00 62.75 64.93 1k1c n ILE 47 Cb 0.60 -2.55 0.36 0.00 0.00 0.00 0.00 39.64 38.05 1k1c n ILE 47 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1k1c h MET 48 N 0.00 0.00 -0.04 9.51 4.05 -1.95 0.48 114.93 126.98 1k1c h MET 48 Ca 0.14 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.47 1k1c h MET 48 Cb 0.35 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1k1c h MET 48 CO -0.80 0.38 -0.35 0.78 0.23 0.00 0.00 176.91 177.15 1k1c h GLY 49 N 1.73 0.34 0.00 1.39 0.00 -0.15 -0.91 103.07 105.46 1k1c h GLY 49 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1k1c h GLY 49 CO 0.05 0.46 0.00 -0.10 0.00 0.00 0.00 176.54 176.95 1k1c n LEU 50 N -4.41 0.40 0.06 3.11 7.94 0.38 -0.14 117.00 124.33 1k1c n LEU 50 Ca -0.09 0.62 -0.08 0.00 -1.11 0.00 0.00 56.01 55.34 1k1c n LEU 50 Cb 0.53 -0.37 0.05 0.00 0.53 0.00 0.00 43.42 44.17 1k1c n LEU 50 CO 0.42 -0.37 0.39 -0.03 -1.11 0.00 0.00 177.39 176.69 1k1c h MET 51 N 0.00 0.35 0.00 1.96 4.05 -0.24 -0.41 114.93 120.65 1k1c h MET 51 Ca 0.00 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1k1c h MET 51 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1k1c h MET 51 CO 0.00 0.91 -0.00 0.77 0.23 0.00 0.00 176.91 178.82 1k1c h SER 52 N 0.25 0.00 0.00 1.39 0.02 -1.28 -3.36 113.55 110.57 1k1c h SER 52 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1k1c h SER 52 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1k1c h SER 52 CO 0.11 0.04 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.68 1k1c h LEU 53 N -0.08 0.00 -1.68 5.07 -0.00 -1.21 -3.34 115.31 114.06 1k1c h LEU 53 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1k1c h LEU 53 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1k1c h LEU 53 CO 0.00 0.76 0.14 0.00 -0.00 0.00 0.00 178.44 179.34 1k1c h ALA 54 N -0.59 1.11 0.00 1.53 0.00 -0.36 0.17 119.26 121.12 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 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 -2.47 0.53 -1.41 0.00 3.14 -0.18 -1.16 118.33 116.78 1k1c n VAL 55 Ca -0.02 0.13 -0.39 0.00 -2.96 0.00 0.00 64.34 61.10 1k1c n VAL 55 Cb 0.17 -0.83 -0.02 0.00 -1.06 0.00 0.00 33.84 32.11 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 -1.34 6.91 -4.72 6.55 7.64 0.05 -4.51 113.62 124.20 1k1c n SER 56 Ca 0.08 -2.64 -0.61 0.00 1.01 0.00 0.00 58.87 56.70 1k1c n SER 56 Cb 0.16 -1.56 -0.08 0.00 -1.01 0.00 0.00 64.21 61.73 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 4.14 0.19 -0.03 0.44 -1.04 -1.25 -1.13 114.28 115.61 1k1c n THR 57 Ca 0.68 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.66 1k1c n THR 57 Cb 0.28 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 4.04 0.44 3.85 3.41 0.00 0.11 -4.93 105.19 112.12 1k1c n GLY 58 Ca 0.28 0.00 -0.35 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 -2.06 4.94 -1.15 2.61 2.01 -0.29 -4.68 115.64 117.03 1k1c s THR 59 Ca 0.00 0.67 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 1k1c s THR 59 Cb 0.00 -3.70 0.08 0.00 0.01 0.00 0.00 72.50 68.90 1k1c s THR 59 CO 0.00 0.23 1.53 -1.61 -0.69 0.00 0.00 174.62 174.07 1k1c s GLU 60 N -2.03 3.82 0.41 4.92 0.41 -1.25 -0.28 118.70 124.70 1k1c s GLU 60 Ca 0.37 -1.74 -0.15 0.00 -0.41 0.00 0.00 54.97 53.04 1k1c s GLU 60 Cb -0.14 -5.34 -0.08 0.00 -1.78 0.00 0.00 34.13 26.78 1k1c s GLU 60 CO 0.19 -2.12 0.83 0.14 -0.49 0.00 0.00 175.26 173.81 1k1c s VAL 61 N 3.96 4.64 -0.27 2.63 -7.23 0.21 -4.17 120.40 120.17 1k1c s VAL 61 Ca 0.47 0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 61.54 1k1c s VAL 61 Cb 0.01 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1k1c s VAL 61 CO -0.01 -0.42 0.11 -0.89 -0.31 0.00 0.00 175.10 173.57 1k1c s THR 62 N -2.27 4.57 -0.37 5.32 2.01 0.17 -0.17 115.64 124.90 1k1c s THR 62 Ca 0.55 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.28 1k1c s THR 62 Cb -0.10 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1k1c s THR 62 CO 0.24 0.28 0.25 -0.22 -0.69 0.00 0.00 174.62 174.48 1k1c s LEU 63 N 1.65 4.76 0.26 4.42 0.20 0.68 -0.25 118.68 130.40 1k1c s LEU 63 Ca 0.06 -0.71 0.01 0.00 0.69 0.00 0.00 54.13 54.18 1k1c s LEU 63 Cb -0.16 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1k1c s LEU 63 CO 0.06 -0.34 0.44 -0.63 -0.29 0.00 0.00 176.35 175.59 1k1c s ILE 64 N 1.67 5.17 -0.15 6.68 1.01 0.12 -0.70 121.20 135.01 1k1c s ILE 64 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1k1c s ILE 64 Cb -0.18 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1k1c s ILE 64 CO 0.09 -0.33 0.13 0.00 0.00 0.00 0.00 174.94 174.83 1k1c s ALA 65 N -2.05 0.15 -0.83 9.38 0.00 0.67 -0.40 121.76 128.68 1k1c s ALA 65 Ca 0.38 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1k1c s ALA 65 Cb -0.10 -1.01 0.27 0.00 0.00 0.00 0.00 23.12 22.28 1k1c s ALA 65 CO 0.31 -1.00 1.04 0.00 0.00 0.00 0.00 175.76 176.11 1k1c n GLN 66 N 5.30 3.30 0.00 0.00 10.64 0.31 -2.31 117.38 134.62 1k1c n GLN 66 Ca -0.06 -4.62 0.00 0.00 -1.83 0.00 0.00 57.00 50.49 1k1c n GLN 66 Cb 0.49 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.51 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1k1c n GLY 67 N 1.10 3.67 0.37 2.61 0.00 -0.18 -0.85 105.19 111.91 1k1c n GLY 67 Ca 0.28 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 0.98 -2.26 1.61 3.07 -1.88 -0.48 114.58 115.62 1k1c h GLU 68 Ca 0.00 -0.06 -0.73 0.00 -0.50 0.00 0.00 59.36 58.08 1k1c h GLU 68 Cb 0.00 -0.22 -0.33 0.00 -0.84 0.00 0.00 28.75 27.36 1k1c h GLU 68 CO 0.00 0.65 0.40 -0.25 -1.40 0.00 0.00 179.01 178.41 1k1c n ASP 69 N -4.59 6.28 0.00 1.42 8.00 -1.26 -4.86 116.55 121.54 1k1c n ASP 69 Ca 0.18 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.99 1k1c n ASP 69 Cb 0.33 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1k1c n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k1c n GLU 70 N -0.14 0.00 -0.30 -1.24 -0.00 -0.19 -0.28 120.64 118.50 1k1c n GLU 70 Ca 0.41 0.46 0.05 0.00 -0.00 0.00 0.00 57.16 58.08 1k1c n GLU 70 Cb 0.31 -1.43 0.20 0.00 -0.00 0.00 0.00 31.44 30.52 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1k1c h GLN 71 N 0.00 0.71 0.22 3.44 1.08 -1.86 0.31 115.11 119.02 1k1c h GLN 71 Ca 0.00 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1k1c h GLN 71 Cb 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1k1c h GLN 71 CO 0.00 0.47 -0.11 1.49 -0.95 0.00 0.00 178.83 179.73 1k1c h GLU 72 N 0.74 -0.29 0.00 1.46 4.57 -1.91 -0.23 114.58 118.91 1k1c h GLU 72 Ca 0.43 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1k1c h GLU 72 Cb 0.49 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1k1c h GLU 72 CO -0.29 -0.18 -0.00 0.00 -1.18 0.00 0.00 179.01 177.35 1k1c h ALA 73 N 0.46 -0.00 -0.82 2.92 0.00 -0.20 -1.79 119.26 119.84 1k1c h ALA 73 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 73 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1k1c h ALA 73 CO 0.05 -0.35 0.51 1.37 0.00 0.00 0.00 179.25 180.84 1k1c h LEU 74 N -0.31 0.84 0.45 0.00 8.10 -0.95 -0.13 115.31 123.31 1k1c h LEU 74 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1k1c h LEU 74 Cb 0.31 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1k1c h LEU 74 CO 0.00 0.56 -0.22 -0.33 -4.11 0.00 0.00 178.44 174.35 1k1c h GLU 75 N 0.98 -0.58 -0.30 0.17 4.39 -0.94 0.93 114.58 119.23 1k1c h GLU 75 Ca 0.34 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.13 1k1c h GLU 75 Cb 0.06 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1k1c h GLU 75 CO -0.13 -0.29 0.00 0.87 -1.16 0.00 0.00 179.01 178.30 1k1c h LYS 76 N -0.82 0.09 0.65 2.33 1.57 -1.12 0.12 116.57 119.39 1k1c h LYS 76 Ca -0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1k1c h LYS 76 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1k1c h LYS 76 CO 0.10 0.06 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.56 1k1c h LEU 77 N 0.09 -1.03 -2.57 2.94 -0.00 -1.03 0.13 115.31 113.84 1k1c h LEU 77 Ca 0.14 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1k1c h LEU 77 Cb 0.19 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1k1c h LEU 77 CO -0.24 -0.63 0.01 0.00 -0.00 0.00 0.00 178.44 177.57 1k1c h ALA 78 N -0.75 1.43 0.40 1.53 0.00 -0.61 0.67 119.26 121.92 1k1c h ALA 78 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1k1c h ALA 78 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1k1c h ALA 78 CO 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 1k1c h ALA 79 N 1.99 -0.54 -0.95 0.00 0.00 -0.17 -3.35 119.26 116.24 1k1c h ALA 79 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k1c h ALA 79 Cb 0.01 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1k1c h ALA 79 CO -0.00 -0.57 0.60 -0.92 0.00 0.00 0.00 179.25 178.36 1k1c h TYR 80 N -1.01 1.23 -0.40 0.00 3.20 0.65 0.15 116.97 120.80 1k1c h TYR 80 Ca -0.06 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.94 1k1c h TYR 80 Cb 0.54 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1k1c h TYR 80 CO 0.02 0.80 0.30 -0.39 -1.64 0.00 0.00 178.16 177.25 1k1c h VAL 81 N 1.30 0.75 0.00 1.81 -1.51 -1.08 -3.36 116.25 114.16 1k1c h VAL 81 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 1k1c h VAL 81 Cb -0.10 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1k1c h VAL 81 CO -0.07 0.00 -0.33 0.00 -1.23 0.00 0.00 177.57 175.95 1k1c n GLN 82 N -4.34 3.61 -0.02 5.19 10.64 -0.81 -0.62 117.38 131.03 1k1c n GLN 82 Ca 0.07 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 1k1c n GLN 82 Cb 0.49 -0.66 -0.07 0.00 -0.86 0.00 0.00 30.24 29.14 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 0.00 0.13 0.00 2.61 9.09 -0.87 -3.43 114.58 122.10 1k1c h GLU 83 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1k1c h GLU 83 Cb 0.05 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1k1c h GLU 83 CO 0.00 0.31 0.00 -0.85 0.05 0.00 0.00 179.01 178.52 1k1c n GLU 84 N -4.90 1.48 0.00 1.06 0.28 -1.26 -5.12 120.64 112.18 1k1c n GLU 84 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1k1c n GLU 84 Cb 0.14 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.01 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52