#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 3.56 0.15 1.45 0.74 -1.26 -1.22 119.66 123.08 1k1c s GLN 3 Ca 0.00 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 54.89 1k1c s GLN 3 Cb 0.00 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1k1c s GLN 3 CO 0.00 0.07 -0.08 -0.65 -0.55 0.00 0.00 175.29 174.08 1k1c s GLN 4 N 0.80 1.05 -0.16 1.67 -1.52 -0.61 -4.92 119.66 115.98 1k1c s GLN 4 Ca -0.01 -1.46 -0.18 0.00 -1.95 0.00 0.00 55.36 51.76 1k1c s GLN 4 Cb -0.14 -0.53 0.05 0.00 -0.22 0.00 0.00 33.01 32.17 1k1c s GLN 4 CO 0.02 0.03 0.50 -1.59 -0.25 0.00 0.00 175.29 173.99 1k1c s LYS 5 N -3.78 0.63 -0.20 2.91 0.00 -1.26 -0.06 119.74 117.97 1k1c s LYS 5 Ca 0.17 0.58 0.00 0.00 0.00 0.00 0.00 55.97 56.73 1k1c s LYS 5 Cb 0.04 0.30 0.02 0.00 0.00 0.00 0.00 37.83 38.19 1k1c s LYS 5 CO 0.01 -0.10 -0.15 0.14 0.00 0.00 0.00 175.35 175.25 1k1c s VAL 6 N 0.00 2.38 0.16 1.79 -7.23 0.20 -4.81 120.40 112.89 1k1c s VAL 6 Ca -0.02 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1k1c s VAL 6 Cb -0.03 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.75 1k1c s VAL 6 CO 0.02 0.41 0.92 -1.83 -0.31 0.00 0.00 175.10 174.31 1k1c s GLU 7 N 1.30 4.73 0.06 4.82 1.03 -1.26 -0.21 118.70 129.17 1k1c s GLU 7 Ca 0.03 1.41 0.00 0.00 0.03 0.00 0.00 54.97 56.44 1k1c s GLU 7 Cb -0.14 -3.33 -0.04 0.00 -0.80 0.00 0.00 34.13 29.82 1k1c s GLU 7 CO -0.10 0.36 -0.04 0.14 -1.33 0.00 0.00 175.26 174.29 1k1c s VAL 8 N -0.54 0.37 -0.13 1.83 -7.23 0.10 -4.83 120.40 109.96 1k1c s VAL 8 Ca 0.43 -1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 58.63 1k1c s VAL 8 Cb -0.24 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1k1c s VAL 8 CO 0.30 -0.89 0.78 -0.60 -0.31 0.00 0.00 175.10 174.38 1k1c s ARG 9 N -3.55 4.34 -1.18 4.82 3.00 -1.25 0.29 118.95 125.40 1k1c s ARG 9 Ca 0.05 0.95 -0.22 0.00 -1.00 0.00 0.00 55.73 55.52 1k1c s ARG 9 Cb 0.05 -3.53 -0.06 0.00 0.00 0.00 0.00 34.95 31.40 1k1c s ARG 9 CO -0.07 -0.19 1.90 -0.11 0.00 0.00 0.00 175.30 176.83 1k1c n LEU 10 N 4.73 3.60 0.20 -0.88 -0.00 0.37 -3.46 117.00 121.56 1k1c n LEU 10 Ca 0.02 -3.33 0.06 0.00 -0.00 0.00 0.00 56.01 52.77 1k1c n LEU 10 Cb 0.50 -1.69 0.40 0.00 -0.00 0.00 0.00 43.42 42.62 1k1c n LEU 10 CO 0.48 -1.26 0.73 0.50 -0.00 0.00 0.00 177.39 177.83 1k1c h LYS 11 N 9.06 0.00 -0.61 1.96 3.11 -1.34 0.31 116.57 129.06 1k1c h LYS 11 Ca 0.29 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.07 1k1c h LYS 11 Cb 0.90 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.10 1k1c h LYS 11 CO 1.34 0.33 0.13 1.15 -2.81 0.00 0.00 179.45 179.60 1k1c h THR 12 N 0.00 1.25 -5.14 1.00 2.02 -0.85 -3.46 112.91 107.73 1k1c h THR 12 Ca -0.00 -0.92 -0.17 0.00 0.77 0.00 0.00 66.41 66.10 1k1c h THR 12 Cb 0.79 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1k1c h THR 12 CO 0.04 0.34 -0.23 0.61 0.37 0.00 0.00 175.52 176.65 1k1c n GLY 13 N -0.75 -0.49 3.87 2.16 0.00 -0.33 -3.66 105.19 106.00 1k1c n GLY 13 Ca 0.04 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.89 -0.40 -0.03 0.99 4.32 -0.87 -3.40 117.00 114.71 1k1c n LEU 14 Ca -0.01 -0.91 -0.14 0.00 -0.02 0.00 0.00 56.01 54.93 1k1c n LEU 14 Cb 0.52 -1.11 -0.10 0.00 -1.62 0.00 0.00 43.42 41.11 1k1c n LEU 14 CO 0.21 0.45 0.50 1.56 -1.22 0.00 0.00 177.39 178.89 1k1c h GLN 15 N -0.96 0.23 0.00 3.23 4.20 -1.87 -3.37 115.11 116.57 1k1c h GLN 15 Ca -0.48 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.06 1k1c h GLN 15 Cb 0.99 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1k1c h GLN 15 CO 0.44 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 179.40 1k1c n ALA 16 N -2.47 0.00 0.07 3.87 0.00 -1.26 -4.95 120.51 115.76 1k1c n ALA 16 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1k1c n ALA 16 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1k1c n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1k1c h ARG 17 N 0.00 -0.35 0.00 0.00 1.12 -1.97 0.14 114.38 113.32 1k1c h ARG 17 Ca 0.00 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1k1c h ARG 17 Cb 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1k1c h ARG 17 CO 0.00 -0.24 -0.08 -1.00 -3.11 0.00 0.00 179.97 175.55 1k1c h PRO 18 N -0.37 0.05 0.00 0.20 0.13 -1.96 -3.36 132.00 126.69 1k1c h PRO 18 Ca -0.01 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1k1c h PRO 18 Cb 0.36 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1k1c h PRO 18 CO -0.11 0.87 -0.07 0.00 -0.23 0.00 0.00 178.00 178.46 1k1c h ALA 19 N 0.18 1.66 -0.61 -0.56 0.00 -1.88 0.28 119.26 118.33 1k1c h ALA 19 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 19 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1k1c h ALA 19 CO 0.02 0.09 0.25 0.00 0.00 0.00 0.00 179.25 179.61 1k1c h ALA 20 N 1.93 0.79 -0.60 0.00 0.00 -0.87 0.10 119.26 120.60 1k1c h ALA 20 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1k1c h ALA 20 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1k1c h ALA 20 CO 0.01 0.40 0.12 1.25 0.00 0.00 0.00 179.25 181.03 1k1c h LEU 21 N 0.84 0.90 0.10 0.00 6.46 -0.76 0.74 115.31 123.60 1k1c h LEU 21 Ca 0.20 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1k1c h LEU 21 Cb 0.19 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1k1c h LEU 21 CO -0.02 0.89 -0.23 -0.26 -0.62 0.00 0.00 178.44 178.21 1k1c h PHE 22 N 0.91 -0.65 -0.70 1.25 -1.00 0.19 0.37 116.94 117.31 1k1c h PHE 22 Ca 0.19 0.01 0.15 0.00 2.81 0.00 0.00 57.97 61.14 1k1c h PHE 22 Cb 0.37 0.27 -0.12 0.00 3.61 0.00 0.00 35.95 40.08 1k1c h PHE 22 CO 0.02 -0.27 -0.00 0.28 -1.61 0.00 0.00 178.31 176.73 1k1c h VAL 23 N -0.36 0.40 -0.79 -0.55 2.07 -0.75 0.13 116.25 116.41 1k1c h VAL 23 Ca -0.01 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1k1c h VAL 23 Cb 0.34 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1k1c h VAL 23 CO -0.10 0.02 0.44 -0.61 0.02 0.00 0.00 177.57 177.34 1k1c h GLN 24 N 0.11 0.73 0.06 1.57 -0.00 -0.18 0.21 115.11 117.60 1k1c h GLN 24 Ca 0.37 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1k1c h GLN 24 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1k1c h GLN 24 CO -0.61 0.48 -0.03 0.93 0.00 0.00 0.00 178.83 179.60 1k1c h GLU 25 N 0.75 -0.08 -0.90 1.69 4.39 0.16 0.13 114.58 120.72 1k1c h GLU 25 Ca 0.38 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.30 1k1c h GLU 25 Cb 0.35 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.90 1k1c h GLU 25 CO -0.25 0.52 0.41 0.00 -1.16 0.00 0.00 179.01 178.54 1k1c h ALA 26 N -0.14 1.43 -0.24 3.43 0.00 -0.78 0.42 119.26 123.39 1k1c h ALA 26 Ca -0.01 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1k1c h ALA 26 Cb 0.63 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1k1c h ALA 26 CO 0.01 -0.30 -0.15 -0.91 0.00 0.00 0.00 179.25 177.90 1k1c h ASN 27 N 0.44 0.40 -0.06 0.00 2.35 -0.53 -2.93 115.58 115.25 1k1c h ASN 27 Ca 0.55 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1k1c h ASN 27 Cb 1.01 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 1k1c h ASN 27 CO -0.50 0.58 0.03 0.03 -1.65 0.00 0.00 177.43 175.92 1k1c h ARG 28 N 0.38 0.08 -6.38 0.81 3.08 0.26 -3.41 114.38 109.21 1k1c h ARG 28 Ca 0.07 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 59.50 1k1c h ARG 28 Cb 0.50 -0.02 0.04 0.00 0.08 0.00 0.00 29.97 30.57 1k1c h ARG 28 CO 0.03 0.10 0.88 1.19 -1.07 0.00 0.00 179.97 181.10 1k1c n PHE 29 N -5.02 2.21 -1.17 3.04 3.72 -0.42 -4.85 117.46 114.97 1k1c n PHE 29 Ca -0.06 0.22 -0.29 0.00 -0.05 0.00 0.00 57.45 57.26 1k1c n PHE 29 Cb 0.05 -2.56 -0.07 0.00 -0.94 0.00 0.00 39.48 35.96 1k1c n PHE 29 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1k1c n THR 30 N 4.04 3.77 -4.26 4.37 -1.04 -1.26 -4.82 114.28 115.08 1k1c n THR 30 Ca 0.20 -2.16 -0.17 0.00 -2.04 0.00 0.00 64.05 59.88 1k1c n THR 30 Cb 0.27 -2.39 -0.14 0.00 -1.82 0.00 0.00 70.33 66.25 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 2.20 1.05 -1.17 8.00 0.01 -1.26 -0.01 113.70 122.52 1k1c s SER 31 Ca 0.67 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 57.41 1k1c s SER 31 Cb 0.22 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 1k1c s SER 31 CO -0.04 0.02 1.88 -1.81 0.41 0.00 0.00 173.24 173.70 1k1c s ASP 32 N -0.67 5.44 0.44 2.44 1.01 0.17 -4.58 116.67 120.92 1k1c s ASP 32 Ca 0.00 -1.70 -0.20 0.00 0.71 0.00 0.00 52.55 51.36 1k1c s ASP 32 Cb -0.05 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 1k1c s ASP 32 CO 0.00 -2.63 0.96 0.68 0.21 0.00 0.00 175.17 174.39 1k1c s VAL 33 N 9.42 4.40 0.29 -1.27 -7.23 -1.26 -0.39 120.40 124.36 1k1c s VAL 33 Ca 0.65 1.45 0.04 0.00 -1.81 0.00 0.00 61.98 62.31 1k1c s VAL 33 Cb -0.00 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1k1c s VAL 33 CO 0.10 -0.37 0.20 -0.36 -0.31 0.00 0.00 175.10 174.36 1k1c s PHE 34 N -2.24 1.54 -0.17 2.82 0.40 0.46 -0.64 117.98 120.15 1k1c s PHE 34 Ca 0.62 -1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 55.39 1k1c s PHE 34 Cb -0.09 -0.72 0.08 0.00 0.51 0.00 0.00 43.02 42.80 1k1c s PHE 34 CO 0.16 -0.69 0.37 -1.17 0.70 0.00 0.00 175.22 174.58 1k1c s LEU 35 N -3.32 -0.51 -0.34 -0.37 2.96 0.13 0.15 118.68 117.39 1k1c s LEU 35 Ca 0.38 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1k1c s LEU 35 Cb 0.04 1.14 0.10 0.00 0.50 0.00 0.00 46.19 47.97 1k1c s LEU 35 CO 0.20 -0.23 0.05 -1.61 -1.32 0.00 0.00 176.35 173.44 1k1c s GLU 36 N 2.50 1.39 -0.69 1.98 2.02 0.64 -0.23 118.70 126.32 1k1c s GLU 36 Ca -0.01 -1.78 -0.25 0.00 0.02 0.00 0.00 54.97 52.95 1k1c s GLU 36 Cb -0.12 -3.06 -0.12 0.00 0.10 0.00 0.00 34.13 30.93 1k1c s GLU 36 CO -0.11 -0.94 2.42 1.63 0.02 0.00 0.00 175.26 178.27 1k1c n LYS 37 N 4.32 0.70 -3.05 1.61 5.02 0.56 -0.23 118.16 127.10 1k1c n LYS 37 Ca 0.03 -0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 55.66 1k1c n LYS 37 Cb 0.42 -3.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 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 16.83 -4.15 0.00 4.39 9.92 0.68 -0.82 116.55 143.41 1k1c n ASP 38 Ca 0.45 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1k1c n ASP 38 Cb 0.45 -3.44 0.00 0.00 -0.64 0.00 0.00 41.12 37.49 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 -1.13 1.55 3.37 0.44 0.00 -0.36 -5.03 105.19 104.04 1k1c n GLY 39 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 2.10 -2.71 1.61 5.02 0.00 -4.81 118.16 119.24 1k1c n LYS 40 Ca 0.00 -2.53 -0.31 0.00 -2.02 0.00 0.00 58.31 53.45 1k1c n LYS 40 Cb 0.00 -3.43 -0.03 0.00 -0.02 0.00 0.00 35.03 31.55 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 5.21 3.82 0.17 1.97 2.36 -1.25 -0.33 119.74 131.70 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 0.06 -2.32 0.03 0.00 -1.05 0.00 0.00 37.83 34.54 1k1c s LYS 41 CO 0.09 -0.11 0.46 0.14 1.55 0.00 0.00 175.35 177.48 1k1c s VAL 42 N -2.46 0.04 -0.40 4.02 -7.23 0.68 -4.87 120.40 110.19 1k1c s VAL 42 Ca 0.53 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.63 1k1c s VAL 42 Cb -0.10 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1k1c s VAL 42 CO 0.32 -0.20 1.93 0.20 -0.31 0.00 0.00 175.10 177.05 1k1c s ASN 43 N -2.87 5.52 0.28 4.85 0.02 -1.26 0.20 114.94 121.70 1k1c s ASN 43 Ca 0.08 1.12 0.03 0.00 -1.02 0.00 0.00 52.86 53.08 1k1c s ASN 43 Cb 0.00 -2.52 0.68 0.00 0.02 0.00 0.00 41.25 39.44 1k1c s ASN 43 CO -0.05 -2.03 1.71 0.00 0.02 0.00 0.00 177.10 176.75 1k1c h ALA 44 N 14.40 1.41 -0.00 0.60 0.00 -1.03 0.25 119.26 134.89 1k1c h ALA 44 Ca -0.32 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k1c h ALA 44 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k1c h ALA 44 CO 1.08 -0.27 -0.04 0.36 0.00 0.00 0.00 179.25 180.38 1k1c n LYS 45 N -4.99 0.93 -3.61 0.00 2.85 -1.26 -3.67 118.16 108.42 1k1c n LYS 45 Ca 0.21 -0.23 -0.20 0.00 -1.05 0.00 0.00 58.31 57.04 1k1c n LYS 45 Cb 0.60 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.47 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 -2.23 5.79 0.16 -5.58 0.01 0.82 -4.85 113.70 107.82 1k1c s SER 46 Ca 0.38 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.11 1k1c s SER 46 Cb 0.21 -1.19 0.01 0.00 0.21 0.00 0.00 66.02 65.26 1k1c s SER 46 CO 0.41 -0.38 1.57 -0.29 0.41 0.00 0.00 173.24 174.96 1k1c h ILE 47 N 1.02 0.10 0.00 1.44 -0.00 -1.90 0.76 117.51 118.93 1k1c h ILE 47 Ca -0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 64.86 64.34 1k1c h ILE 47 Cb 1.25 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.16 1k1c h ILE 47 CO 0.55 0.00 -0.30 -0.03 -0.00 0.00 0.00 178.15 178.37 1k1c h MET 48 N -0.28 0.00 -0.01 2.19 4.05 -1.95 0.40 114.93 119.32 1k1c h MET 48 Ca 0.15 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1k1c h MET 48 Cb 0.57 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1k1c h MET 48 CO -0.63 0.30 0.00 0.78 0.23 0.00 0.00 176.91 177.59 1k1c h GLY 49 N 2.18 0.02 0.00 1.39 0.00 -0.60 -1.31 103.07 104.76 1k1c h GLY 49 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1k1c h GLY 49 CO 0.04 0.01 0.00 -0.10 0.00 0.00 0.00 176.54 176.49 1k1c n LEU 50 N -4.96 1.10 -0.34 3.11 -0.00 0.10 -0.26 117.00 115.74 1k1c n LEU 50 Ca -0.07 0.39 0.05 0.00 -0.00 0.00 0.00 56.01 56.38 1k1c n LEU 50 Cb 0.14 -0.16 0.23 0.00 -0.00 0.00 0.00 43.42 43.64 1k1c n LEU 50 CO 0.33 -0.16 1.25 -0.03 -0.00 0.00 0.00 177.39 178.79 1k1c h MET 51 N 0.00 1.01 0.00 1.96 4.05 -0.36 0.59 114.93 122.18 1k1c h MET 51 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1k1c h MET 51 Cb 0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 1k1c h MET 51 CO 0.00 0.67 0.00 0.43 0.23 0.00 0.00 176.91 178.24 1k1c n SER 52 N -4.54 0.00 0.03 1.39 7.64 -0.70 -4.20 113.62 113.25 1k1c n SER 52 Ca 0.16 0.32 -0.05 0.00 1.01 0.00 0.00 58.87 60.31 1k1c n SER 52 Cb 0.26 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.17 -0.98 -3.43 -0.00 -1.27 -3.30 115.31 106.16 1k1c h LEU 53 Ca 0.00 -0.13 0.17 0.00 -0.00 0.00 0.00 57.88 57.91 1k1c h LEU 53 Cb 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 40.60 1k1c h LEU 53 CO 0.00 0.36 0.59 0.00 -0.00 0.00 0.00 178.44 179.39 1k1c h ALA 54 N -0.86 1.58 0.00 1.53 0.00 -0.10 0.72 119.26 122.13 1k1c h ALA 54 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k1c h ALA 54 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k1c h ALA 54 CO 0.03 0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.57 1k1c n VAL 55 N -4.75 1.27 -1.65 0.00 0.31 0.20 -2.06 118.33 111.65 1k1c n VAL 55 Ca 0.21 0.36 -0.41 0.00 -0.01 0.00 0.00 64.34 64.50 1k1c n VAL 55 Cb 0.50 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 1k1c n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k1c n SER 56 N -1.68 5.78 -4.65 4.52 7.64 0.24 -4.62 113.62 120.85 1k1c n SER 56 Ca 0.02 -2.79 -0.65 0.00 1.01 0.00 0.00 58.87 56.46 1k1c n SER 56 Cb 0.12 -1.60 -0.10 0.00 -1.01 0.00 0.00 64.21 61.62 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 4.30 0.03 0.00 0.44 -1.04 -1.25 -0.69 114.28 116.07 1k1c n THR 57 Ca 0.60 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1k1c n THR 57 Cb 0.33 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 4.68 0.15 3.76 3.41 0.00 0.95 -4.91 105.19 113.22 1k1c n GLY 58 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 3.90 -1.31 2.61 2.01 0.13 -4.52 115.64 116.46 1k1c s THR 59 Ca 0.00 1.85 -0.16 0.00 0.31 0.00 0.00 61.69 63.70 1k1c s THR 59 Cb 0.00 -4.16 0.09 0.00 0.01 0.00 0.00 72.50 68.45 1k1c s THR 59 CO 0.00 0.40 1.79 -0.62 -0.69 0.00 0.00 174.62 175.50 1k1c n GLU 60 N 1.23 3.20 -3.40 4.92 -0.58 -1.25 -0.48 120.64 124.28 1k1c n GLU 60 Ca -0.01 -3.28 -0.37 0.00 -0.42 0.00 0.00 57.16 53.08 1k1c n GLU 60 Cb 0.47 -3.31 -0.06 0.00 -0.57 0.00 0.00 31.44 27.96 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 3.14 5.23 -0.39 2.62 -7.23 0.14 -0.23 120.40 123.69 1k1c s VAL 61 Ca 0.49 0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 61.17 1k1c s VAL 61 Cb 0.05 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.27 1k1c s VAL 61 CO 0.02 0.36 1.08 -0.89 -0.31 0.00 0.00 175.10 175.36 1k1c s THR 62 N 0.53 4.40 -0.38 5.32 2.01 0.68 -0.72 115.64 127.49 1k1c s THR 62 Ca 0.22 1.47 -0.26 0.00 0.31 0.00 0.00 61.69 63.44 1k1c s THR 62 Cb -0.14 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 67.90 1k1c s THR 62 CO 0.08 -0.69 0.92 -0.22 -0.69 0.00 0.00 174.62 174.02 1k1c s LEU 63 N 3.94 4.00 0.35 4.42 0.20 0.70 -0.26 118.68 132.02 1k1c s LEU 63 Ca 0.45 0.52 -0.04 0.00 0.69 0.00 0.00 54.13 55.75 1k1c s LEU 63 Cb -0.10 -3.25 -0.05 0.00 -0.43 0.00 0.00 46.19 42.36 1k1c s LEU 63 CO 0.22 -0.88 0.61 -0.63 -0.29 0.00 0.00 176.35 175.38 1k1c s ILE 64 N 3.50 5.01 -0.21 6.68 1.01 0.12 -0.63 121.20 136.68 1k1c s ILE 64 Ca 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.98 1k1c s ILE 64 Cb -0.12 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.67 1k1c s ILE 64 CO 0.20 -0.49 0.34 0.00 0.00 0.00 0.00 174.94 174.99 1k1c s ALA 65 N -2.28 -0.88 -0.81 9.38 0.00 0.91 -0.41 121.76 127.68 1k1c s ALA 65 Ca 0.44 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1k1c s ALA 65 Cb -0.10 -1.44 0.31 0.00 0.00 0.00 0.00 23.12 21.88 1k1c s ALA 65 CO 0.34 -1.06 1.26 0.94 0.00 0.00 0.00 175.76 177.25 1k1c n GLN 66 N 5.36 3.98 -1.29 0.00 7.27 0.47 -1.57 117.38 131.61 1k1c n GLN 66 Ca -0.05 -4.72 0.00 0.00 0.07 0.00 0.00 57.00 52.30 1k1c n GLN 66 Cb 0.50 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.79 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 0.29 3.21 0.35 1.69 0.00 -0.36 -0.66 105.19 109.71 1k1c n GLY 67 Ca 0.35 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.69 -1.83 1.61 4.39 -0.75 0.11 114.58 118.81 1k1c h GLU 68 Ca 0.00 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.98 1k1c h GLU 68 Cb 0.00 -0.16 -0.35 0.00 -0.10 0.00 0.00 28.75 28.14 1k1c h GLU 68 CO 0.00 0.46 0.13 -0.25 -1.16 0.00 0.00 179.01 178.19 1k1c n ASP 69 N -4.80 6.02 0.00 1.42 8.00 -1.26 -4.86 116.55 121.06 1k1c n ASP 69 Ca 0.23 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.97 1k1c n ASP 69 Cb 0.58 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1k1c n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1k1c n GLU 70 N -0.45 0.00 -0.22 -1.24 2.13 0.39 -0.24 120.64 121.02 1k1c n GLU 70 Ca 0.45 0.25 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 1k1c n GLU 70 Cb 0.44 -1.01 0.05 0.00 0.27 0.00 0.00 31.44 31.18 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 -0.05 0.31 5.31 5.75 -1.85 0.10 115.11 124.68 1k1c h GLN 71 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1k1c h GLN 71 Cb 0.00 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1k1c h GLN 71 CO 0.00 -0.03 -0.41 1.49 -2.65 0.00 0.00 178.83 177.22 1k1c h GLU 72 N -0.05 -0.74 0.90 1.69 4.57 -1.92 -1.19 114.58 117.83 1k1c h GLU 72 Ca 0.29 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1k1c h GLU 72 Cb 0.51 0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1k1c h GLU 72 CO -0.68 -0.50 -0.45 0.00 -1.18 0.00 0.00 179.01 176.20 1k1c h ALA 73 N -0.38 -1.24 -0.44 2.92 0.00 -0.03 -2.12 119.26 117.98 1k1c h ALA 73 Ca -0.02 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1k1c h ALA 73 Cb 0.72 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1k1c h ALA 73 CO -0.13 -1.20 -0.10 1.37 0.00 0.00 0.00 179.25 179.20 1k1c h LEU 74 N -1.23 -0.38 0.04 0.00 8.10 -0.96 0.46 115.31 121.33 1k1c h LEU 74 Ca -0.12 0.13 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1k1c h LEU 74 Cb 0.95 0.26 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 1k1c h LEU 74 CO 0.19 -0.14 -0.02 1.05 -4.11 0.00 0.00 178.44 175.41 1k1c h GLU 75 N 0.01 -0.05 -0.24 0.17 4.11 -1.20 -0.51 114.58 116.88 1k1c h GLU 75 Ca 0.21 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.48 1k1c h GLU 75 Cb 0.32 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1k1c h GLU 75 CO -0.44 0.34 -0.50 1.57 0.07 0.00 0.00 179.01 180.05 1k1c h LYS 76 N -0.44 0.65 -0.06 1.06 2.10 -1.21 0.90 116.57 119.58 1k1c h LYS 76 Ca -0.01 -0.39 -0.01 0.00 -2.00 0.00 0.00 60.65 58.25 1k1c h LYS 76 Cb 0.41 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1k1c h LYS 76 CO 0.01 1.00 0.01 -0.07 -2.00 0.00 0.00 179.45 178.40 1k1c h LEU 77 N 0.51 0.09 -0.67 7.07 -0.00 -0.93 0.14 115.31 121.52 1k1c h LEU 77 Ca 0.02 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1k1c h LEU 77 Cb 1.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.65 1k1c h LEU 77 CO 0.10 0.33 0.42 0.00 -0.00 0.00 0.00 178.44 179.29 1k1c h ALA 78 N 0.77 0.85 -0.28 1.53 0.00 -1.04 -2.61 119.26 118.48 1k1c h ALA 78 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1k1c h ALA 78 Cb 0.28 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1k1c h ALA 78 CO 0.00 0.31 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 1k1c h ALA 79 N 1.22 -0.40 -1.00 0.00 0.00 -0.57 -1.63 119.26 116.88 1k1c h ALA 79 Ca 0.24 0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.50 1k1c h ALA 79 Cb -0.05 0.76 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 1k1c h ALA 79 CO -0.05 -0.83 0.57 -0.92 0.00 0.00 0.00 179.25 178.02 1k1c h TYR 80 N -0.37 0.94 -0.41 0.00 5.03 -0.35 0.12 116.97 121.93 1k1c h TYR 80 Ca 0.12 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.39 1k1c h TYR 80 Cb 0.58 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1k1c h TYR 80 CO -0.52 -0.11 -0.08 -0.39 -1.32 0.00 0.00 178.16 175.73 1k1c h VAL 81 N 0.39 1.25 -0.07 1.81 -1.51 -1.08 -3.23 116.25 113.80 1k1c h VAL 81 Ca 0.71 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1k1c h VAL 81 Cb 1.55 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1k1c h VAL 81 CO -0.57 0.37 0.00 0.00 -1.23 0.00 0.00 177.57 176.13 1k1c n GLN 82 N -4.19 1.59 -0.03 5.19 10.64 -0.33 -0.19 117.38 130.06 1k1c n GLN 82 Ca 0.01 -1.29 -0.13 0.00 -1.83 0.00 0.00 57.00 53.76 1k1c n GLN 82 Cb 0.33 -1.08 -0.14 0.00 -0.86 0.00 0.00 30.24 28.49 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 -0.03 0.68 0.00 2.61 0.28 0.26 -4.87 120.64 119.57 1k1c n GLU 83 Ca 0.03 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1k1c n GLU 83 Cb 0.22 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1k1c n GLU 84 N -3.15 0.00 0.00 3.44 0.28 -1.26 -5.07 120.64 114.87 1k1c n GLU 84 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 1k1c n GLU 84 Cb 1.06 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.93 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30