#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 2.88 0.05 7.34 0.74 -1.26 -2.38 119.66 127.03 1k1c s GLN 3 Ca 0.00 -0.65 -0.04 0.00 0.05 0.00 0.00 55.36 54.71 1k1c s GLN 3 Cb 0.00 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 1k1c s GLN 3 CO 0.00 0.49 0.07 -1.14 -0.55 0.00 0.00 175.29 174.16 1k1c s GLN 4 N -0.36 0.64 -0.20 1.67 2.00 -0.76 -4.94 119.66 117.71 1k1c s GLN 4 Ca 0.04 -0.94 -0.17 0.00 -2.00 0.00 0.00 55.36 52.28 1k1c s GLN 4 Cb -0.12 0.24 0.05 0.00 0.80 0.00 0.00 33.01 33.98 1k1c s GLN 4 CO 0.02 -0.16 0.52 -1.59 -0.50 0.00 0.00 175.29 173.59 1k1c s LYS 5 N -3.25 0.60 -0.09 1.67 0.00 -1.26 0.09 119.74 117.50 1k1c s LYS 5 Ca 0.01 0.74 0.03 0.00 0.00 0.00 0.00 55.97 56.74 1k1c s LYS 5 Cb 0.03 0.27 0.01 0.00 0.00 0.00 0.00 37.83 38.14 1k1c s LYS 5 CO -0.08 -0.08 -0.17 0.14 0.00 0.00 0.00 175.35 175.16 1k1c s VAL 6 N 0.38 1.57 0.23 1.79 -7.23 0.21 -4.84 120.40 112.51 1k1c s VAL 6 Ca -0.01 -0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 1k1c s VAL 6 Cb -0.04 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.45 1k1c s VAL 6 CO -0.01 0.45 0.49 -0.70 -0.31 0.00 0.00 175.10 175.02 1k1c s GLU 7 N 0.61 3.65 0.32 4.82 2.12 -1.26 -0.25 118.70 128.71 1k1c s GLU 7 Ca -0.15 -0.00 -0.15 0.00 0.36 0.00 0.00 54.97 55.03 1k1c s GLU 7 Cb -0.16 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.53 1k1c s GLU 7 CO 0.05 0.33 0.67 0.14 -0.54 0.00 0.00 175.26 175.90 1k1c s VAL 8 N -1.89 0.00 0.11 3.70 -7.23 -0.21 -4.91 120.40 109.97 1k1c s VAL 8 Ca 0.43 -1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 59.22 1k1c s VAL 8 Cb -0.11 -2.45 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 1k1c s VAL 8 CO 0.26 0.00 0.72 -0.60 -0.31 0.00 0.00 175.10 175.17 1k1c s ARG 9 N -3.22 4.46 -0.84 4.82 3.52 -1.26 0.24 118.95 126.67 1k1c s ARG 9 Ca 0.17 1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 56.60 1k1c s ARG 9 Cb -0.04 -3.28 -0.13 0.00 -1.56 0.00 0.00 34.95 29.94 1k1c s ARG 9 CO 0.11 0.52 1.97 -0.11 -0.81 0.00 0.00 175.30 176.98 1k1c n LEU 10 N 1.92 4.39 0.23 -0.88 7.94 0.85 -3.01 117.00 128.45 1k1c n LEU 10 Ca -0.06 -2.97 0.11 0.00 -1.11 0.00 0.00 56.01 51.97 1k1c n LEU 10 Cb 0.50 -1.15 0.48 0.00 0.53 0.00 0.00 43.42 43.78 1k1c n LEU 10 CO 0.45 -0.13 0.82 0.50 -1.11 0.00 0.00 177.39 177.92 1k1c h LYS 11 N 7.55 0.00 -0.19 1.96 3.11 -1.08 0.21 116.57 128.13 1k1c h LYS 11 Ca 0.44 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 58.11 1k1c h LYS 11 Cb 0.60 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1k1c h LYS 11 CO 1.89 0.20 -0.58 1.79 -2.81 0.00 0.00 179.45 179.94 1k1c h THR 12 N 0.00 1.32 -5.41 1.00 1.35 -0.86 -3.41 112.91 106.90 1k1c h THR 12 Ca -0.00 -1.83 -0.16 0.00 -0.55 0.00 0.00 66.41 63.87 1k1c h THR 12 Cb 0.72 1.80 -0.08 0.00 -1.73 0.00 0.00 68.15 68.85 1k1c h THR 12 CO 0.03 0.57 -0.23 0.61 -0.25 0.00 0.00 175.52 176.24 1k1c n GLY 13 N 0.32 -0.48 4.29 5.82 0.00 -0.72 -1.82 105.19 112.60 1k1c n GLY 13 Ca -0.04 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.90 -0.83 -3.78 0.99 7.99 -0.05 -3.78 117.00 114.64 1k1c n LEU 14 Ca 0.02 -1.03 -0.42 0.00 -0.01 0.00 0.00 56.01 54.56 1k1c n LEU 14 Cb 0.50 -1.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 1k1c n LEU 14 CO 0.24 0.11 2.07 0.00 -1.51 0.00 0.00 177.39 178.30 1k1c n GLN 15 N -3.92 3.79 0.00 3.23 6.02 -0.76 -4.49 117.38 121.25 1k1c n GLN 15 Ca 0.10 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.62 1k1c n GLN 15 Cb 0.46 -2.87 0.00 0.00 1.02 0.00 0.00 30.24 28.85 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 3.50 0.00 0.09 -1.58 0.00 -1.26 -4.14 120.51 117.12 1k1c n ALA 16 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.85 1k1c n ALA 16 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.25 -0.68 0.00 2.47 -1.93 0.28 114.38 114.27 1k1c h ARG 17 Ca 0.00 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1k1c h ARG 17 Cb 0.00 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 1k1c h ARG 17 CO 0.00 -0.16 0.40 -1.00 0.56 0.00 0.00 179.97 179.76 1k1c h PRO 18 N -0.39 0.72 -0.64 0.04 0.13 -1.82 -1.17 132.00 128.87 1k1c h PRO 18 Ca -0.03 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1k1c h PRO 18 Cb 0.20 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 31.10 1k1c h PRO 18 CO 0.04 0.48 0.30 0.00 -0.23 0.00 0.00 178.00 178.59 1k1c h ALA 19 N 1.34 0.85 -0.11 -0.56 0.00 -1.76 0.16 119.26 119.19 1k1c h ALA 19 Ca 0.30 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1k1c h ALA 19 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1k1c h ALA 19 CO -0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 178.86 1k1c h ALA 20 N 1.40 -0.06 -0.04 0.00 0.00 0.79 0.28 119.26 121.63 1k1c h ALA 20 Ca 0.31 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1k1c h ALA 20 Cb 0.32 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1k1c h ALA 20 CO -0.26 -0.59 -0.12 1.25 0.00 0.00 0.00 179.25 179.54 1k1c h LEU 21 N -0.17 -0.35 0.00 0.00 7.12 -0.79 0.23 115.31 121.35 1k1c h LEU 21 Ca 0.08 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1k1c h LEU 21 Cb 0.28 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1k1c h LEU 21 CO -0.21 -0.16 0.00 0.33 -0.13 0.00 0.00 178.44 178.27 1k1c n PHE 22 N -5.25 0.00 -0.34 1.25 -0.00 -0.01 -0.59 117.46 112.52 1k1c n PHE 22 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.47 1k1c n PHE 22 Cb 0.17 -0.39 0.23 0.00 -0.00 0.00 0.00 39.48 39.50 1k1c n PHE 22 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1k1c h VAL 23 N 0.00 0.87 -0.31 -2.13 2.07 -0.48 0.48 116.25 116.75 1k1c h VAL 23 Ca 0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1k1c h VAL 23 Cb 0.00 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 1k1c h VAL 23 CO 0.00 0.16 0.11 -0.61 0.02 0.00 0.00 177.57 177.25 1k1c h GLN 24 N 0.88 0.24 -0.03 1.57 4.15 -0.24 0.26 115.11 121.94 1k1c h GLN 24 Ca 0.48 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.71 1k1c h GLN 24 Cb 0.53 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1k1c h GLN 24 CO -0.29 0.16 -0.67 0.93 -1.93 0.00 0.00 178.83 177.03 1k1c h GLU 25 N 0.25 0.51 -0.73 1.69 4.39 0.15 0.44 114.58 121.27 1k1c h GLU 25 Ca 0.14 -0.50 0.15 0.00 0.34 0.00 0.00 59.36 59.49 1k1c h GLU 25 Cb 0.11 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 28.78 1k1c h GLU 25 CO -0.14 1.14 0.18 0.00 -1.16 0.00 0.00 179.01 179.03 1k1c h ALA 26 N 0.38 0.94 -0.23 3.43 0.00 -0.82 -0.15 119.26 122.80 1k1c h ALA 26 Ca -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1k1c h ALA 26 Cb 1.35 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1k1c h ALA 26 CO 0.13 -0.33 0.00 -0.91 0.00 0.00 0.00 179.25 178.15 1k1c h ASN 27 N 0.28 0.40 -0.55 0.00 2.35 -0.39 -3.25 115.58 114.43 1k1c h ASN 27 Ca 0.41 -0.30 0.11 0.00 -0.55 0.00 0.00 56.30 55.96 1k1c h ASN 27 Cb 0.68 -0.11 -0.11 0.00 0.05 0.00 0.00 38.32 38.83 1k1c h ASN 27 CO -0.49 0.61 -0.24 0.03 -1.65 0.00 0.00 177.43 175.69 1k1c h ARG 28 N 0.19 -0.10 -6.25 0.81 3.08 0.15 -3.35 114.38 108.90 1k1c h ARG 28 Ca 0.07 0.01 -0.56 0.00 0.07 0.00 0.00 59.98 59.57 1k1c h ARG 28 Cb 0.40 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1k1c h ARG 28 CO 0.01 -0.07 0.74 -0.06 -1.07 0.00 0.00 179.97 179.52 1k1c s PHE 29 N -6.12 3.15 -1.36 3.04 0.08 -0.23 -4.90 117.98 111.64 1k1c s PHE 29 Ca -0.14 1.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.99 1k1c s PHE 29 Cb 0.17 -3.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.20 1k1c s PHE 29 CO 0.71 -1.23 2.30 -2.37 -0.10 0.00 0.00 175.22 174.53 1k1c n THR 30 N 4.83 3.31 -4.08 0.64 5.66 -1.26 -4.80 114.28 118.59 1k1c n THR 30 Ca 0.11 -2.66 -0.14 0.00 -3.05 0.00 0.00 64.05 58.32 1k1c n THR 30 Cb 0.46 -2.55 -0.12 0.00 -1.55 0.00 0.00 70.33 66.57 1k1c n THR 30 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1k1c s SER 31 N 3.30 0.77 -0.96 1.09 0.01 -1.26 -0.19 113.70 116.46 1k1c s SER 31 Ca 0.52 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 1k1c s SER 31 Cb 0.15 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1k1c s SER 31 CO -0.05 -0.14 1.69 -0.62 0.41 0.00 0.00 173.24 174.53 1k1c s ASP 32 N -1.20 5.85 0.29 2.44 2.15 -0.07 -4.65 116.67 121.47 1k1c s ASP 32 Ca -0.07 -1.08 -0.18 0.00 0.43 0.00 0.00 52.55 51.65 1k1c s ASP 32 Cb -0.08 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.89 1k1c s ASP 32 CO 0.00 -2.11 0.76 -0.69 -0.17 0.00 0.00 175.17 172.97 1k1c s VAL 33 N 7.44 4.58 0.18 1.11 1.01 -1.26 -0.41 120.40 133.05 1k1c s VAL 33 Ca 0.58 1.18 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1k1c s VAL 33 Cb -0.03 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1k1c s VAL 33 CO -0.06 -0.02 0.09 -0.36 0.00 0.00 0.00 175.10 174.76 1k1c s PHE 34 N -1.79 1.12 -0.06 5.22 0.40 0.84 -0.21 117.98 123.50 1k1c s PHE 34 Ca 0.50 -1.28 -0.02 0.00 -0.60 0.00 0.00 56.93 55.53 1k1c s PHE 34 Cb -0.13 -0.59 0.04 0.00 0.51 0.00 0.00 43.02 42.84 1k1c s PHE 34 CO 0.19 -0.52 0.11 -1.17 0.70 0.00 0.00 175.22 174.53 1k1c s LEU 35 N -3.15 0.35 -0.36 -0.37 2.96 0.10 -0.08 118.68 118.14 1k1c s LEU 35 Ca 0.33 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1k1c s LEU 35 Cb 0.07 0.14 0.10 0.00 0.50 0.00 0.00 46.19 47.00 1k1c s LEU 35 CO 0.08 -0.21 0.09 -1.61 -1.32 0.00 0.00 176.35 173.38 1k1c s GLU 36 N 1.81 1.69 -0.68 1.98 2.02 0.86 -0.53 118.70 125.85 1k1c s GLU 36 Ca -0.01 -1.82 -0.26 0.00 0.02 0.00 0.00 54.97 52.90 1k1c s GLU 36 Cb -0.12 -3.31 -0.07 0.00 0.10 0.00 0.00 34.13 30.73 1k1c s GLU 36 CO -0.05 -0.95 2.20 0.15 0.02 0.00 0.00 175.26 176.63 1k1c s LYS 37 N 0.99 2.17 -1.23 1.61 1.02 0.39 -0.52 119.74 124.17 1k1c s LYS 37 Ca 0.09 0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.70 1k1c s LYS 37 Cb -0.20 -4.69 0.02 0.00 -0.52 0.00 0.00 37.83 32.45 1k1c s LYS 37 CO -0.07 -3.49 0.24 -0.25 -0.92 0.00 0.00 175.35 170.86 1k1c n ASP 38 N 15.58 -4.24 0.00 2.83 8.00 0.83 -0.67 116.55 138.89 1k1c n ASP 38 Ca 0.36 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1k1c n ASP 38 Cb 0.50 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 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 -1.03 1.86 3.58 0.44 0.00 -0.59 -5.03 105.19 104.42 1k1c n GLY 39 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1k1c n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1c s LYS 40 N -0.14 2.68 0.28 1.61 -0.14 0.16 -4.76 119.74 119.42 1k1c s LYS 40 Ca 0.00 -1.19 -0.08 0.00 -1.36 0.00 0.00 55.97 53.34 1k1c s LYS 40 Cb 0.00 -5.26 -0.06 0.00 -1.68 0.00 0.00 37.83 30.82 1k1c s LYS 40 CO 0.00 -3.73 0.58 0.21 -0.76 0.00 0.00 175.35 171.65 1k1c s LYS 41 N 6.24 3.72 0.17 1.68 2.36 -1.23 -0.46 119.74 132.23 1k1c s LYS 41 Ca 0.67 0.18 -0.11 0.00 -2.55 0.00 0.00 55.97 54.16 1k1c s LYS 41 Cb -0.01 -2.62 -0.00 0.00 -1.05 0.00 0.00 37.83 34.16 1k1c s LYS 41 CO 0.11 0.23 0.34 0.14 1.55 0.00 0.00 175.35 177.72 1k1c s VAL 42 N -2.00 0.06 -0.48 4.02 -7.23 0.31 -4.90 120.40 110.17 1k1c s VAL 42 Ca 0.46 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 59.09 1k1c s VAL 42 Cb -0.11 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1k1c s VAL 42 CO 0.26 -0.25 1.94 0.21 -0.31 0.00 0.00 175.10 176.95 1k1c s ASN 43 N -2.95 5.36 0.31 4.85 3.84 -1.25 0.03 114.94 125.13 1k1c s ASN 43 Ca 0.16 0.86 0.08 0.00 0.21 0.00 0.00 52.86 54.16 1k1c s ASN 43 Cb 0.02 -2.52 0.82 0.00 -0.55 0.00 0.00 41.25 39.02 1k1c s ASN 43 CO -0.00 -2.21 1.74 0.00 -2.79 0.00 0.00 177.10 173.84 1k1c h ALA 44 N 14.98 1.73 -0.00 1.71 0.00 -0.77 0.11 119.26 137.02 1k1c h ALA 44 Ca -0.29 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k1c h ALA 44 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k1c h ALA 44 CO 1.13 -0.19 -0.15 0.36 0.00 0.00 0.00 179.25 180.40 1k1c n LYS 45 N -4.85 0.02 -3.18 0.00 2.85 -1.26 -3.94 118.16 107.81 1k1c n LYS 45 Ca 0.25 -0.01 -0.18 0.00 -1.05 0.00 0.00 58.31 57.33 1k1c n LYS 45 Cb 0.68 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.56 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 -2.98 5.46 0.22 -5.58 0.01 0.34 -4.83 113.70 106.33 1k1c s SER 46 Ca 0.14 -0.53 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1k1c s SER 46 Cb 0.19 -0.60 0.23 0.00 0.21 0.00 0.00 66.02 66.05 1k1c s SER 46 CO 0.58 -0.75 1.58 -0.29 0.41 0.00 0.00 173.24 174.77 1k1c h ILE 47 N 0.74 0.15 0.00 1.44 -0.00 -1.89 0.56 117.51 118.51 1k1c h ILE 47 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.45 1k1c h ILE 47 Cb 1.28 0.15 -0.00 0.00 -0.00 0.00 0.00 36.82 38.25 1k1c h ILE 47 CO 0.49 0.00 -0.05 -0.03 -0.00 0.00 0.00 178.15 178.55 1k1c h MET 48 N -0.07 0.00 0.01 2.19 4.05 -1.95 0.75 114.93 119.92 1k1c h MET 48 Ca 0.31 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.73 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 -0.80 0.05 -0.01 0.78 0.23 0.00 0.00 176.91 177.17 1k1c h GLY 49 N 0.92 -0.02 0.00 1.39 0.00 -0.44 -1.01 103.07 103.91 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 -2.17 0.00 -0.17 3.11 0.00 -0.28 0.35 117.00 117.83 1k1c n LEU 50 Ca -0.00 0.87 -0.09 0.00 0.00 0.00 0.00 56.01 56.78 1k1c n LEU 50 Cb 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 43.42 43.07 1k1c n LEU 50 CO 0.01 -0.37 0.85 -0.03 0.00 0.00 0.00 177.39 177.85 1k1c h MET 51 N 0.00 0.83 0.00 1.96 4.05 0.25 -0.72 114.93 121.29 1k1c h MET 51 Ca 0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1k1c h MET 51 Cb 0.00 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 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 -4.40 0.00 -0.06 1.39 7.64 -0.68 -4.45 113.62 113.06 1k1c n SER 52 Ca 0.01 0.03 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 1k1c n SER 52 Cb 0.26 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.00 -3.43 -0.00 -0.66 -3.36 115.31 105.86 1k1c h LEU 53 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 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 0.62 0.29 0.00 -0.00 0.00 0.00 178.44 179.35 1k1c h ALA 54 N -0.80 1.28 0.00 1.53 0.00 -0.24 0.07 119.26 121.11 1k1c h ALA 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k1c h ALA 54 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k1c h ALA 54 CO -0.00 -0.28 0.00 1.55 0.00 0.00 0.00 179.25 180.52 1k1c n VAL 55 N -2.83 0.90 -1.86 0.00 3.14 -0.28 -0.87 118.33 116.55 1k1c n VAL 55 Ca -0.02 0.23 -0.42 0.00 -2.96 0.00 0.00 64.34 61.17 1k1c n VAL 55 Cb 0.33 -1.08 -0.00 0.00 -1.06 0.00 0.00 33.84 32.03 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 -1.89 4.00 -4.59 6.55 7.64 0.01 -4.44 113.62 120.90 1k1c n SER 56 Ca 0.03 -2.85 -0.59 0.00 1.01 0.00 0.00 58.87 56.47 1k1c n SER 56 Cb 0.20 -1.66 -0.08 0.00 -1.01 0.00 0.00 64.21 61.67 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 5.37 0.03 -0.44 0.44 -1.04 -1.24 -0.84 114.28 116.56 1k1c n THR 57 Ca 0.51 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1k1c n THR 57 Cb 0.40 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 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 2.46 0.73 3.70 3.41 0.00 0.67 -4.93 105.19 111.23 1k1c n GLY 58 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.80 5.00 -0.44 2.61 2.01 -0.02 -4.54 115.64 117.46 1k1c s THR 59 Ca 0.00 1.46 -0.28 0.00 0.31 0.00 0.00 61.69 63.18 1k1c s THR 59 Cb 0.00 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 1k1c s THR 59 CO 0.00 0.18 1.62 -1.61 -0.69 0.00 0.00 174.62 174.11 1k1c s GLU 60 N 1.29 3.31 0.05 4.92 2.02 -1.25 -0.10 118.70 128.93 1k1c s GLU 60 Ca 0.37 0.99 0.07 0.00 0.02 0.00 0.00 54.97 56.42 1k1c s GLU 60 Cb -0.17 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.88 1k1c s GLU 60 CO 0.16 -1.90 -0.20 0.14 0.02 0.00 0.00 175.26 173.48 1k1c s VAL 61 N 6.58 1.64 -0.23 2.63 -7.23 0.14 -0.12 120.40 123.81 1k1c s VAL 61 Ca 0.67 -1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 59.46 1k1c s VAL 61 Cb -0.16 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1k1c s VAL 61 CO 0.30 0.18 0.43 -0.89 -0.31 0.00 0.00 175.10 174.81 1k1c s THR 62 N -0.83 5.15 -0.39 5.32 2.01 0.32 -1.04 115.64 126.18 1k1c s THR 62 Ca 0.07 0.75 -0.23 0.00 0.31 0.00 0.00 61.69 62.59 1k1c s THR 62 Cb -0.09 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1k1c s THR 62 CO 0.02 0.19 0.76 -0.76 -0.69 0.00 0.00 174.62 174.14 1k1c s LEU 63 N 1.72 4.19 0.10 4.42 1.43 0.65 -0.09 118.68 131.10 1k1c s LEU 63 Ca 0.19 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1k1c s LEU 63 Cb -0.15 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 1k1c s LEU 63 CO 0.09 -0.78 0.42 -0.63 0.23 0.00 0.00 176.35 175.68 1k1c s ILE 64 N 3.11 5.07 -0.20 -0.59 1.01 0.88 -0.62 121.20 129.87 1k1c s ILE 64 Ca 0.30 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 1k1c s ILE 64 Cb -0.13 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1k1c s ILE 64 CO 0.19 0.23 0.06 0.00 0.00 0.00 0.00 174.94 175.42 1k1c s ALA 65 N -1.46 0.82 -0.68 9.38 0.00 0.11 -0.12 121.76 129.82 1k1c s ALA 65 Ca 0.35 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1k1c s ALA 65 Cb -0.14 -1.16 0.32 0.00 0.00 0.00 0.00 23.12 22.14 1k1c s ALA 65 CO 0.19 -1.22 1.06 0.94 0.00 0.00 0.00 175.76 176.73 1k1c n GLN 66 N 5.12 3.47 -1.34 0.00 0.00 0.45 -1.83 117.38 123.26 1k1c n GLN 66 Ca -0.08 -4.79 0.00 0.00 -0.00 0.00 0.00 57.00 52.13 1k1c n GLN 66 Cb 0.47 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 28.42 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 0.08 3.80 0.37 1.69 0.00 -1.00 -0.89 105.19 109.23 1k1c n GLY 67 Ca 0.33 -1.44 0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 0.34 -0.33 1.61 4.39 -0.91 -0.40 114.58 119.29 1k1c h GLU 68 Ca 0.00 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1k1c h GLU 68 Cb 0.00 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1k1c h GLU 68 CO 0.00 0.23 0.01 -0.25 -1.16 0.00 0.00 179.01 177.83 1k1c n ASP 69 N -4.46 3.46 0.00 1.42 8.00 -1.26 -4.95 116.55 118.76 1k1c n ASP 69 Ca 0.11 -3.29 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1k1c n ASP 69 Cb 0.46 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.72 0.00 -0.33 -1.24 -0.00 -0.16 0.06 120.64 118.24 1k1c n GLU 70 Ca 0.27 0.48 0.18 0.00 -0.00 0.00 0.00 57.16 58.09 1k1c n GLU 70 Cb 0.98 -0.88 0.39 0.00 -0.00 0.00 0.00 31.44 31.94 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 0.46 0.62 3.44 1.08 -1.87 0.48 115.11 119.32 1k1c h GLN 71 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1k1c h GLN 71 Cb 0.00 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1k1c h GLN 71 CO 0.00 0.30 -0.30 1.49 -0.95 0.00 0.00 178.83 179.38 1k1c h GLU 72 N 0.47 -0.80 0.01 1.46 4.57 -1.10 -1.48 114.58 117.71 1k1c h GLU 72 Ca 0.65 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.92 1k1c h GLU 72 Cb 1.31 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 30.03 1k1c h GLU 72 CO -0.52 -0.49 -0.35 0.00 -1.18 0.00 0.00 179.01 176.47 1k1c h ALA 73 N -0.68 -0.52 -0.42 2.92 0.00 0.11 0.91 119.26 121.56 1k1c h ALA 73 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 73 Cb 0.68 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1k1c h ALA 73 CO 0.14 -0.87 0.27 1.37 0.00 0.00 0.00 179.25 180.16 1k1c h LEU 74 N -0.50 0.50 -0.02 0.00 8.10 -1.04 -1.01 115.31 121.34 1k1c h LEU 74 Ca 0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1k1c h LEU 74 Cb 0.59 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1k1c h LEU 74 CO -0.28 0.39 0.01 -0.33 -4.11 0.00 0.00 178.44 174.13 1k1c h GLU 75 N 0.57 0.03 -0.57 0.17 4.39 -0.86 -0.31 114.58 118.00 1k1c h GLU 75 Ca 0.15 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1k1c h GLU 75 Cb -0.03 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.51 1k1c h GLU 75 CO -0.03 0.05 -0.45 0.87 -1.16 0.00 0.00 179.01 178.29 1k1c h LYS 76 N -0.00 -0.23 0.83 2.33 1.79 -0.53 0.17 116.57 120.93 1k1c h LYS 76 Ca 0.01 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1k1c h LYS 76 Cb 0.03 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1k1c h LYS 76 CO -0.00 -0.16 -0.44 -0.07 -1.08 0.00 0.00 179.45 177.70 1k1c h LEU 77 N -0.24 -1.07 -1.42 2.94 -0.00 -0.98 0.21 115.31 114.75 1k1c h LEU 77 Ca 0.17 0.05 0.10 0.00 -0.00 0.00 0.00 57.88 58.19 1k1c h LEU 77 Cb 0.56 0.29 -0.05 0.00 -0.00 0.00 0.00 40.66 41.46 1k1c h LEU 77 CO -0.68 -0.71 0.49 0.00 -0.00 0.00 0.00 178.44 177.53 1k1c h ALA 78 N -1.37 1.84 0.28 1.53 0.00 -0.83 0.13 119.26 120.84 1k1c h ALA 78 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 78 Cb 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k1c h ALA 78 CO 0.16 0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.28 1k1c h ALA 79 N 1.62 -0.38 0.35 0.00 0.00 -0.44 -3.28 119.26 117.13 1k1c h ALA 79 Ca 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1k1c h ALA 79 Cb 0.49 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1k1c h ALA 79 CO -0.12 -0.71 -0.17 -0.92 0.00 0.00 0.00 179.25 177.33 1k1c h TYR 80 N -0.40 -0.44 -0.89 0.00 3.20 0.22 -3.13 116.97 115.54 1k1c h TYR 80 Ca -0.04 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.08 1k1c h TYR 80 Cb 0.30 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1k1c h TYR 80 CO -0.05 -0.11 0.64 -0.39 -1.64 0.00 0.00 178.16 176.61 1k1c h VAL 81 N -0.94 0.56 0.00 1.81 -1.51 -0.91 0.44 116.25 115.69 1k1c h VAL 81 Ca -0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1k1c h VAL 81 Cb 0.53 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1k1c h VAL 81 CO 0.08 0.00 -1.14 0.00 -1.23 0.00 0.00 177.57 175.28 1k1c n GLN 82 N -4.27 0.09 0.10 5.19 10.64 -1.16 -0.22 117.38 127.75 1k1c n GLN 82 Ca 0.18 -0.03 -0.07 0.00 -1.83 0.00 0.00 57.00 55.25 1k1c n GLN 82 Cb 0.95 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.79 1k1c n GLN 82 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1k1c h GLU 83 N 0.00 -0.37 0.00 2.61 4.81 -0.84 -3.43 114.58 117.36 1k1c h GLU 83 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1k1c h GLU 83 Cb 0.57 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1k1c h GLU 83 CO 0.00 -0.25 0.00 -0.85 -0.73 0.00 0.00 179.01 177.18 1k1c n GLU 84 N -3.60 0.00 0.00 1.92 0.00 -1.26 -5.11 120.64 112.59 1k1c n GLU 84 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1k1c n GLU 84 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.62 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68