#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 3.63 0.01 5.55 0.74 -1.26 -2.37 119.66 125.96 1k1c s GLN 3 Ca 0.00 -0.49 -0.04 0.00 0.05 0.00 0.00 55.36 54.88 1k1c s GLN 3 Cb 0.00 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1k1c s GLN 3 CO 0.00 -0.19 0.07 -1.14 -0.55 0.00 0.00 175.29 173.48 1k1c s GLN 4 N 1.59 0.40 -0.02 1.67 -0.44 -0.64 -4.95 119.66 117.28 1k1c s GLN 4 Ca 0.06 -0.47 -0.13 0.00 -2.50 0.00 0.00 55.36 52.31 1k1c s GLN 4 Cb -0.15 0.16 0.02 0.00 -1.64 0.00 0.00 33.01 31.40 1k1c s GLN 4 CO 0.03 -0.09 0.28 -1.59 0.50 0.00 0.00 175.29 174.43 1k1c s LYS 5 N -1.38 0.63 -0.10 1.67 0.00 -1.26 -0.02 119.74 119.28 1k1c s LYS 5 Ca -0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 55.97 55.62 1k1c s LYS 5 Cb -0.08 0.28 0.02 0.00 0.00 0.00 0.00 37.83 38.05 1k1c s LYS 5 CO 0.00 -0.17 -0.07 0.14 0.00 0.00 0.00 175.35 175.26 1k1c s VAL 6 N -1.27 0.94 0.31 1.79 -7.23 0.41 -4.84 120.40 110.50 1k1c s VAL 6 Ca -0.13 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 1k1c s VAL 6 Cb -0.05 -0.97 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 1k1c s VAL 6 CO 0.04 0.35 0.68 -1.83 -0.31 0.00 0.00 175.10 174.03 1k1c s GLU 7 N 1.66 3.90 0.36 4.82 -1.05 -1.26 -0.21 118.70 126.92 1k1c s GLU 7 Ca 0.03 0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 55.33 1k1c s GLU 7 Cb -0.13 -2.49 0.01 0.00 -0.44 0.00 0.00 34.13 31.08 1k1c s GLU 7 CO -0.07 0.17 0.51 0.14 0.95 0.00 0.00 175.26 176.97 1k1c s VAL 8 N -2.00 0.00 0.15 1.83 -7.23 -0.08 -4.86 120.40 108.22 1k1c s VAL 8 Ca 0.52 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1k1c s VAL 8 Cb -0.10 -2.69 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 1k1c s VAL 8 CO 0.21 0.00 0.93 -0.60 -0.31 0.00 0.00 175.10 175.32 1k1c s ARG 9 N -2.90 4.73 -1.05 4.82 3.52 -1.26 0.19 118.95 127.00 1k1c s ARG 9 Ca 0.29 1.41 -0.19 0.00 -0.13 0.00 0.00 55.73 57.11 1k1c s ARG 9 Cb -0.01 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 1k1c s ARG 9 CO 0.20 0.35 2.01 -0.11 -0.81 0.00 0.00 175.30 176.94 1k1c n LEU 10 N 2.28 4.93 0.09 -0.88 7.94 0.98 -2.66 117.00 129.69 1k1c n LEU 10 Ca -0.00 -3.36 -0.03 0.00 -1.11 0.00 0.00 56.01 51.51 1k1c n LEU 10 Cb 0.48 -1.36 0.19 0.00 0.53 0.00 0.00 43.42 43.26 1k1c n LEU 10 CO 0.50 0.02 0.58 0.50 -1.11 0.00 0.00 177.39 177.88 1k1c h LYS 11 N 7.42 0.23 -0.54 1.96 3.11 -0.68 0.28 116.57 128.35 1k1c h LYS 11 Ca 0.46 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 58.15 1k1c h LYS 11 Cb 0.69 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.90 1k1c h LYS 11 CO 1.86 0.67 0.27 1.79 -2.81 0.00 0.00 179.45 181.23 1k1c h THR 12 N 0.19 1.19 -2.63 1.00 1.35 -0.68 -3.45 112.91 109.88 1k1c h THR 12 Ca 0.01 -0.53 -0.27 0.00 -0.55 0.00 0.00 66.41 65.06 1k1c h THR 12 Cb 0.92 0.55 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 1k1c h THR 12 CO 0.07 0.22 -0.30 0.61 -0.25 0.00 0.00 175.52 175.87 1k1c n GLY 13 N -0.96 0.32 4.49 5.82 0.00 -0.88 -3.44 105.19 110.55 1k1c n GLY 13 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.40 -0.84 -0.00 0.99 7.99 -0.29 -3.69 117.00 118.76 1k1c n LEU 14 Ca -0.15 -1.25 -0.17 0.00 -0.01 0.00 0.00 56.01 54.43 1k1c n LEU 14 Cb 0.54 -1.59 -0.14 0.00 -0.11 0.00 0.00 43.42 42.13 1k1c n LEU 14 CO 0.20 0.16 0.19 0.06 -1.51 0.00 0.00 177.39 176.48 1k1c h GLN 15 N -1.01 0.17 0.00 3.23 -0.00 -1.83 -3.40 115.11 112.27 1k1c h GLN 15 Ca -0.60 -0.29 0.00 0.00 -0.00 0.00 0.00 58.65 57.75 1k1c h GLN 15 Cb 1.38 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.97 1k1c h GLN 15 CO 0.86 1.14 0.00 0.00 -0.00 0.00 0.00 178.83 180.83 1k1c n ALA 16 N -2.65 0.00 0.04 0.06 0.00 -1.26 -5.00 120.51 111.70 1k1c n ALA 16 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1k1c n ALA 16 Cb 0.68 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.58 -0.67 0.00 9.65 -1.97 0.24 114.38 121.05 1k1c h ARG 17 Ca 0.00 0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 1k1c h ARG 17 Cb 0.00 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1k1c h ARG 17 CO 0.00 -0.39 0.15 -1.00 2.80 0.00 0.00 179.97 181.54 1k1c h PRO 18 N -0.60 1.08 0.08 0.20 0.13 -1.97 0.25 132.00 131.17 1k1c h PRO 18 Ca 0.01 -0.27 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1k1c h PRO 18 Cb 0.65 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 1k1c h PRO 18 CO -0.33 0.97 -0.28 0.00 -0.23 0.00 0.00 178.00 178.13 1k1c h ALA 19 N 1.06 -0.45 0.00 -0.56 0.00 -1.73 0.21 119.26 117.79 1k1c h ALA 19 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1k1c h ALA 19 Cb 0.38 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1k1c h ALA 19 CO 0.00 -0.81 -0.49 0.00 0.00 0.00 0.00 179.25 177.96 1k1c h ALA 20 N 0.26 0.99 -0.31 0.00 0.00 -0.39 0.30 119.26 120.11 1k1c h ALA 20 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1k1c h ALA 20 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1k1c h ALA 20 CO -0.19 0.61 0.19 1.25 0.00 0.00 0.00 179.25 181.11 1k1c h LEU 21 N 0.00 0.36 0.26 0.00 7.12 0.08 0.48 115.31 123.61 1k1c h LEU 21 Ca -0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1k1c h LEU 21 Cb 0.99 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 1k1c h LEU 21 CO 0.06 0.28 -0.34 0.15 -0.13 0.00 0.00 178.44 178.46 1k1c h PHE 22 N 0.40 -0.96 -0.87 1.25 3.57 -0.18 0.48 116.94 120.64 1k1c h PHE 22 Ca 0.11 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.77 1k1c h PHE 22 Cb -0.02 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 1k1c h PHE 22 CO -0.05 -0.43 0.56 -0.39 -2.23 0.00 0.00 178.31 175.77 1k1c h VAL 23 N -0.62 0.81 0.53 1.41 -1.51 -0.82 0.93 116.25 116.97 1k1c h VAL 23 Ca -0.03 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 65.21 1k1c h VAL 23 Cb 0.56 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.86 1k1c h VAL 23 CO -0.08 0.11 -0.30 -0.61 -1.23 0.00 0.00 177.57 175.46 1k1c h GLN 24 N 0.61 -0.75 -0.27 5.19 -0.00 0.68 0.54 115.11 121.11 1k1c h GLN 24 Ca 0.44 0.05 -0.14 0.00 -0.00 0.00 0.00 58.65 59.00 1k1c h GLN 24 Cb 0.79 0.17 -0.00 0.00 0.00 0.00 0.00 27.48 28.44 1k1c h GLN 24 CO -0.19 -0.50 -0.37 1.05 0.00 0.00 0.00 178.83 178.82 1k1c h GLU 25 N -0.78 0.73 -0.77 1.69 4.11 -0.42 0.61 114.58 119.75 1k1c h GLU 25 Ca -0.07 -0.42 0.16 0.00 0.07 0.00 0.00 59.36 59.10 1k1c h GLU 25 Cb 0.62 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1k1c h GLU 25 CO 0.08 1.04 0.28 0.00 0.07 0.00 0.00 179.01 180.49 1k1c h ALA 26 N 0.68 1.08 -0.48 1.06 0.00 -0.74 0.13 119.26 120.99 1k1c h ALA 26 Ca 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1k1c h ALA 26 Cb 0.95 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1k1c h ALA 26 CO 0.09 -0.26 -0.11 -0.91 0.00 0.00 0.00 179.25 178.05 1k1c h ASN 27 N 0.39 0.87 -0.40 0.00 2.35 0.62 -3.02 115.58 116.39 1k1c h ASN 27 Ca 0.44 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1k1c h ASN 27 Cb 0.71 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1k1c h ASN 27 CO -0.45 1.00 0.18 0.03 -1.65 0.00 0.00 177.43 176.53 1k1c h ARG 28 N 0.79 0.35 -6.50 0.81 3.08 0.23 -3.39 114.38 109.76 1k1c h ARG 28 Ca 0.13 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.63 1k1c h ARG 28 Cb 0.63 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.64 1k1c h ARG 28 CO 0.04 0.23 1.09 -0.06 -1.07 0.00 0.00 179.97 180.20 1k1c s PHE 29 N -6.15 2.20 -0.66 3.04 0.08 0.24 -4.89 117.98 111.86 1k1c s PHE 29 Ca -0.13 0.05 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 1k1c s PHE 29 Cb 0.12 -4.13 -0.19 0.00 -0.57 0.00 0.00 43.02 38.26 1k1c s PHE 29 CO 0.72 -4.64 3.24 0.25 -0.10 0.00 0.00 175.22 174.69 1k1c n THR 30 N 4.74 3.41 -4.03 0.64 -2.24 -1.26 -4.82 114.28 110.71 1k1c n THR 30 Ca 0.17 -1.87 -0.10 0.00 -2.27 0.00 0.00 64.05 59.98 1k1c n THR 30 Cb 0.39 -2.23 -0.11 0.00 -2.10 0.00 0.00 70.33 66.28 1k1c n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1k1c s SER 31 N 2.15 0.47 -1.14 3.42 0.01 -1.26 -0.23 113.70 117.12 1k1c s SER 31 Ca 0.65 -0.64 -0.23 0.00 1.31 0.00 0.00 55.95 57.04 1k1c s SER 31 Cb 0.25 0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.50 1k1c s SER 31 CO -0.02 -0.35 1.94 -0.62 0.41 0.00 0.00 173.24 174.60 1k1c s ASP 32 N -1.87 5.02 0.32 2.44 2.15 0.28 -4.59 116.67 120.41 1k1c s ASP 32 Ca -0.08 -1.50 -0.25 0.00 0.43 0.00 0.00 52.55 51.15 1k1c s ASP 32 Cb -0.05 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 39.88 1k1c s ASP 32 CO -0.03 -3.06 0.92 0.68 -0.17 0.00 0.00 175.17 173.52 1k1c s VAL 33 N 10.98 4.26 0.22 1.11 -7.23 -1.26 -0.28 120.40 128.20 1k1c s VAL 33 Ca 0.69 1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 62.59 1k1c s VAL 33 Cb -0.02 -3.97 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 1k1c s VAL 33 CO 0.11 0.12 0.18 -0.36 -0.31 0.00 0.00 175.10 174.84 1k1c s PHE 34 N -1.64 1.16 -0.13 2.82 0.08 0.82 0.15 117.98 121.24 1k1c s PHE 34 Ca 0.50 -1.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.16 1k1c s PHE 34 Cb -0.18 -0.51 0.06 0.00 -0.57 0.00 0.00 43.02 41.82 1k1c s PHE 34 CO 0.23 -0.70 0.14 -1.17 -0.10 0.00 0.00 175.22 173.61 1k1c s LEU 35 N -3.17 0.06 -0.58 -0.37 2.96 0.11 -0.13 118.68 117.55 1k1c s LEU 35 Ca 0.38 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1k1c s LEU 35 Cb 0.06 0.10 0.15 0.00 0.50 0.00 0.00 46.19 46.99 1k1c s LEU 35 CO 0.14 -0.29 0.46 -1.61 -1.32 0.00 0.00 176.35 173.72 1k1c s GLU 36 N 2.24 2.75 -0.77 1.98 2.02 0.78 -0.19 118.70 127.51 1k1c s GLU 36 Ca 0.04 -2.07 -0.26 0.00 0.02 0.00 0.00 54.97 52.70 1k1c s GLU 36 Cb -0.14 -4.01 -0.12 0.00 0.10 0.00 0.00 34.13 29.97 1k1c s GLU 36 CO -0.08 -1.22 2.34 0.15 0.02 0.00 0.00 175.26 176.48 1k1c s LYS 37 N 0.82 1.79 -1.23 1.61 1.02 0.33 -0.57 119.74 123.50 1k1c s LYS 37 Ca 0.10 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.56 1k1c s LYS 37 Cb -0.22 -4.79 0.02 0.00 -0.52 0.00 0.00 37.83 32.32 1k1c s LYS 37 CO -0.03 -4.17 0.21 -0.25 -0.92 0.00 0.00 175.35 170.20 1k1c n ASP 38 N 17.71 -4.28 0.00 2.83 8.00 0.76 -0.59 116.55 140.97 1k1c n ASP 38 Ca 0.44 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1k1c n ASP 38 Cb 0.45 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 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 -1.01 2.36 3.27 0.44 0.00 -0.66 -5.01 105.19 104.58 1k1c n GLY 39 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.50 2.31 -2.75 1.61 4.76 0.24 -4.82 118.16 119.00 1k1c n LYS 40 Ca 0.00 -2.57 -0.37 0.00 -2.87 0.00 0.00 58.31 52.49 1k1c n LYS 40 Cb 0.00 -3.37 -0.06 0.00 -1.84 0.00 0.00 35.03 29.76 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 4.74 4.59 0.23 1.97 2.36 -1.23 -0.51 119.74 131.89 1k1c s LYS 41 Ca 0.57 1.37 -0.11 0.00 -2.55 0.00 0.00 55.97 55.25 1k1c s LYS 41 Cb 0.08 -2.85 -0.01 0.00 -1.05 0.00 0.00 37.83 34.00 1k1c s LYS 41 CO 0.06 0.28 0.42 0.54 1.55 0.00 0.00 175.35 178.20 1k1c s VAL 42 N -1.56 0.01 -0.57 4.02 0.11 0.73 -4.88 120.40 118.26 1k1c s VAL 42 Ca 0.49 -1.46 -0.26 0.00 -2.93 0.00 0.00 61.98 57.82 1k1c s VAL 42 Cb -0.20 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1k1c s VAL 42 CO 0.25 -0.03 2.05 0.20 -3.33 0.00 0.00 175.10 174.24 1k1c s ASN 43 N -3.03 4.99 0.28 3.54 -0.87 -1.26 0.05 114.94 118.65 1k1c s ASN 43 Ca 0.24 0.60 0.02 0.00 -1.57 0.00 0.00 52.86 52.15 1k1c s ASN 43 Cb 0.01 -2.52 0.66 0.00 -0.02 0.00 0.00 41.25 39.37 1k1c s ASN 43 CO 0.08 -2.54 1.73 0.00 -2.57 0.00 0.00 177.10 173.80 1k1c h ALA 44 N 16.50 1.39 -0.00 0.60 0.00 -0.48 0.78 119.26 138.05 1k1c h ALA 44 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k1c h ALA 44 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1k1c h ALA 44 CO 1.20 -0.23 -0.26 0.36 0.00 0.00 0.00 179.25 180.32 1k1c n LYS 45 N -4.96 0.37 -3.37 0.00 2.85 -1.25 -4.10 118.16 107.70 1k1c n LYS 45 Ca 0.20 -0.17 -0.19 0.00 -1.05 0.00 0.00 58.31 57.10 1k1c n LYS 45 Cb 0.57 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.44 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 -2.75 5.65 0.19 -5.58 0.01 0.22 -4.78 113.70 106.67 1k1c s SER 46 Ca 0.19 -0.38 -0.24 0.00 1.31 0.00 0.00 55.95 56.83 1k1c s SER 46 Cb 0.19 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.58 1k1c s SER 46 CO 0.57 -0.56 1.55 -0.29 0.41 0.00 0.00 173.24 174.92 1k1c h ILE 47 N 0.87 0.02 0.00 1.44 -0.00 -1.92 0.20 117.51 118.12 1k1c h ILE 47 Ca -0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.41 1k1c h ILE 47 Cb 1.27 0.02 -0.00 0.00 -0.00 0.00 0.00 36.82 38.11 1k1c h ILE 47 CO 0.51 0.00 -0.11 -0.03 -0.00 0.00 0.00 178.15 178.53 1k1c h MET 48 N -0.07 0.00 0.14 2.19 4.05 -1.96 0.35 114.93 119.63 1k1c h MET 48 Ca 0.23 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 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 -0.88 0.11 -0.07 0.78 0.23 0.00 0.00 176.91 177.08 1k1c h GLY 49 N 0.99 -0.20 -0.01 1.39 0.00 -0.26 -0.21 103.07 104.77 1k1c h GLY 49 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1k1c h GLY 49 CO 0.01 -0.07 -0.01 1.41 0.00 0.00 0.00 176.54 177.88 1k1c h LEU 50 N -0.61 -0.03 -0.15 3.11 3.38 -0.46 0.61 115.31 121.15 1k1c h LEU 50 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1k1c h LEU 50 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1k1c h LEU 50 CO 0.03 -0.01 -0.39 -0.03 0.09 0.00 0.00 178.44 178.13 1k1c h MET 51 N -0.01 0.53 0.00 1.13 4.05 -0.51 -1.40 114.93 118.73 1k1c h MET 51 Ca 0.00 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1k1c h MET 51 Cb 0.01 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1k1c h MET 51 CO -0.01 0.99 0.00 0.43 0.23 0.00 0.00 176.91 178.55 1k1c n SER 52 N -4.29 0.00 -0.05 1.39 7.64 -0.93 -4.46 113.62 112.92 1k1c n SER 52 Ca -0.07 0.04 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 1k1c n SER 52 Cb 0.53 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.52 -3.43 -0.00 -0.75 -3.36 115.31 106.26 1k1c h LEU 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 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 0.53 0.11 0.00 -0.00 0.00 0.00 178.44 179.08 1k1c h ALA 54 N -1.02 1.08 0.00 1.53 0.00 0.03 -0.36 119.26 120.52 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k1c h ALA 54 CO 0.00 -0.08 0.00 1.55 0.00 0.00 0.00 179.25 180.72 1k1c n VAL 55 N -2.35 0.88 -1.72 0.00 3.14 -0.53 -1.13 118.33 116.62 1k1c n VAL 55 Ca -0.02 0.22 -0.42 0.00 -2.96 0.00 0.00 64.34 61.17 1k1c n VAL 55 Cb 0.14 -0.98 -0.00 0.00 -1.06 0.00 0.00 33.84 31.94 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 -1.42 4.88 -4.59 6.55 7.64 -0.15 -4.49 113.62 122.03 1k1c n SER 56 Ca 0.05 -2.83 -0.60 0.00 1.01 0.00 0.00 58.87 56.50 1k1c n SER 56 Cb 0.14 -1.62 -0.09 0.00 -1.01 0.00 0.00 64.21 61.64 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 4.61 0.14 0.00 0.44 -1.04 -1.23 -0.69 114.28 116.51 1k1c n THR 57 Ca 0.55 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1k1c n THR 57 Cb 0.36 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 5.14 0.41 3.73 3.41 0.00 0.93 -4.94 105.19 113.86 1k1c n GLY 58 Ca 0.36 0.00 -0.39 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 5.02 -0.53 2.61 2.01 0.14 -4.55 115.64 118.33 1k1c s THR 59 Ca 0.00 1.31 -0.28 0.00 0.31 0.00 0.00 61.69 63.04 1k1c s THR 59 Cb 0.00 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 1k1c s THR 59 CO 0.00 0.32 1.59 -1.61 -0.69 0.00 0.00 174.62 174.23 1k1c s GLU 60 N 0.45 3.15 -0.04 4.92 0.41 -1.25 -0.01 118.70 126.33 1k1c s GLU 60 Ca 0.34 0.68 0.06 0.00 -0.41 0.00 0.00 54.97 55.64 1k1c s GLU 60 Cb -0.18 -4.20 -0.01 0.00 -1.78 0.00 0.00 34.13 27.97 1k1c s GLU 60 CO 0.17 -2.11 -0.21 0.14 -0.49 0.00 0.00 175.26 172.76 1k1c s VAL 61 N 6.93 1.72 -0.27 2.63 -7.23 0.13 -0.17 120.40 124.13 1k1c s VAL 61 Ca 0.61 -0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 1k1c s VAL 61 Cb -0.13 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1k1c s VAL 61 CO 0.26 0.49 0.99 -0.89 -0.31 0.00 0.00 175.10 175.63 1k1c s THR 62 N -0.22 4.66 -0.42 5.32 2.01 0.27 -0.91 115.64 126.35 1k1c s THR 62 Ca 0.01 1.76 -0.27 0.00 0.31 0.00 0.00 61.69 63.50 1k1c s THR 62 Cb -0.11 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.13 1k1c s THR 62 CO 0.02 -0.27 1.00 -0.76 -0.69 0.00 0.00 174.62 173.91 1k1c s LEU 63 N 3.26 3.90 0.34 4.42 1.02 0.71 -0.16 118.68 132.17 1k1c s LEU 63 Ca 0.42 0.46 0.03 0.00 0.02 0.00 0.00 54.13 55.06 1k1c s LEU 63 Cb -0.14 -3.34 -0.02 0.00 0.02 0.00 0.00 46.19 42.71 1k1c s LEU 63 CO 0.10 -1.02 0.50 -0.63 0.02 0.00 0.00 176.35 175.32 1k1c s ILE 64 N 3.83 4.64 -0.23 -0.59 1.01 0.82 -0.44 121.20 130.24 1k1c s ILE 64 Ca 0.41 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1k1c s ILE 64 Cb -0.10 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.82 1k1c s ILE 64 CO 0.24 -0.34 0.45 0.00 0.00 0.00 0.00 174.94 175.29 1k1c s ALA 65 N -2.24 -1.33 -0.62 9.38 0.00 0.98 -0.13 121.76 127.79 1k1c s ALA 65 Ca 0.41 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.97 1k1c s ALA 65 Cb -0.09 -1.50 0.25 0.00 0.00 0.00 0.00 23.12 21.78 1k1c s ALA 65 CO 0.33 -0.91 0.74 0.94 0.00 0.00 0.00 175.76 176.87 1k1c n GLN 66 N 5.40 2.46 0.00 0.00 0.00 0.62 -1.62 117.38 124.25 1k1c n GLN 66 Ca -0.08 -4.61 0.00 0.00 -0.00 0.00 0.00 57.00 52.32 1k1c n GLN 66 Cb 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.53 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 0.83 4.74 0.09 1.69 0.00 -1.00 -0.56 105.19 110.98 1k1c n GLY 67 Ca 0.30 -1.14 -0.13 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 -0.11 -2.41 1.61 4.39 -0.93 -1.96 114.58 115.17 1k1c h GLU 68 Ca 0.00 0.01 -0.72 0.00 0.34 0.00 0.00 59.36 58.98 1k1c h GLU 68 Cb 0.00 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 28.50 1k1c h GLU 68 CO 0.00 0.25 1.73 -0.25 -1.16 0.00 0.00 179.01 179.58 1k1c n ASP 69 N -4.97 7.64 0.14 1.42 8.00 -1.26 -4.67 116.55 122.85 1k1c n ASP 69 Ca -0.08 -3.32 -0.06 0.00 0.71 0.00 0.00 54.79 52.04 1k1c n ASP 69 Cb 0.22 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.01 1k1c n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k1c h GLU 70 N 4.19 -0.36 -0.64 -1.24 9.09 -1.70 0.12 114.58 124.04 1k1c h GLU 70 Ca 0.61 0.02 0.12 0.00 0.05 0.00 0.00 59.36 60.17 1k1c h GLU 70 Cb 0.35 0.08 -0.09 0.00 -1.65 0.00 0.00 28.75 27.45 1k1c h GLU 70 CO 1.32 -0.24 0.19 0.37 0.05 0.00 0.00 179.01 180.70 1k1c h GLN 71 N -0.57 0.33 0.50 1.06 5.75 -1.83 -0.33 115.11 120.02 1k1c h GLN 71 Ca -0.04 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1k1c h GLN 71 Cb 0.29 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1k1c h GLN 71 CO 0.06 0.22 -0.24 1.49 -2.65 0.00 0.00 178.83 177.71 1k1c h GLU 72 N 0.34 -0.65 0.56 1.69 4.57 -1.90 -2.32 114.58 116.87 1k1c h GLU 72 Ca 0.34 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.54 1k1c h GLU 72 Cb 0.49 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1k1c h GLU 72 CO -0.38 -0.37 -0.38 0.00 -1.18 0.00 0.00 179.01 176.70 1k1c h ALA 73 N -0.42 -0.94 -0.61 2.92 0.00 -0.25 -0.07 119.26 119.88 1k1c h ALA 73 Ca -0.07 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 73 Cb 0.58 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1k1c h ALA 73 CO 0.11 -1.05 0.08 1.37 0.00 0.00 0.00 179.25 179.76 1k1c h LEU 74 N -0.91 -0.12 -0.02 0.00 8.10 -1.14 0.12 115.31 121.33 1k1c h LEU 74 Ca -0.07 0.13 -0.04 0.00 0.11 0.00 0.00 57.88 58.01 1k1c h LEU 74 Cb 0.75 0.21 0.00 0.00 -0.44 0.00 0.00 40.66 41.18 1k1c h LEU 74 CO 0.04 -0.05 -0.15 1.05 -4.11 0.00 0.00 178.44 175.23 1k1c h GLU 75 N 0.19 0.14 -0.18 0.17 4.11 -1.19 -0.05 114.58 117.78 1k1c h GLU 75 Ca 0.32 -0.12 -0.15 0.00 0.07 0.00 0.00 59.36 59.48 1k1c h GLU 75 Cb 0.51 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1k1c h GLU 75 CO -0.46 0.79 -0.53 1.57 0.07 0.00 0.00 179.01 180.45 1k1c h LYS 76 N -0.47 0.51 0.32 1.06 2.10 -0.84 0.47 116.57 119.72 1k1c h LYS 76 Ca -0.01 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 1k1c h LYS 76 Cb 0.83 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1k1c h LYS 76 CO 0.03 0.91 -0.18 -0.07 -2.00 0.00 0.00 179.45 178.14 1k1c h LEU 77 N 0.39 -0.44 -1.56 7.07 -0.00 -0.83 0.85 115.31 120.79 1k1c h LEU 77 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.95 1k1c h LEU 77 Cb 1.05 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1k1c h LEU 77 CO 0.10 -0.29 0.35 0.00 -0.00 0.00 0.00 178.44 178.59 1k1c h ALA 78 N 0.20 1.78 0.24 1.53 0.00 -0.72 0.14 119.26 122.41 1k1c h ALA 78 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1k1c h ALA 78 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k1c h ALA 78 CO 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.34 1k1c h ALA 79 N 1.70 -0.32 0.44 0.00 0.00 -0.42 -3.17 119.26 117.49 1k1c h ALA 79 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k1c h ALA 79 Cb 0.15 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1k1c h ALA 79 CO -0.06 -0.63 -0.25 -0.92 0.00 0.00 0.00 179.25 177.39 1k1c h TYR 80 N -0.41 -0.64 -0.92 0.00 3.20 0.21 -2.74 116.97 115.67 1k1c h TYR 80 Ca -0.03 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.02 1k1c h TYR 80 Cb 0.31 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 1k1c h TYR 80 CO -0.03 -0.39 0.60 -0.39 -1.64 0.00 0.00 178.16 176.31 1k1c h VAL 81 N -0.64 0.71 -0.02 1.81 -1.51 -0.85 0.81 116.25 116.56 1k1c h VAL 81 Ca -0.05 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1k1c h VAL 81 Cb 0.51 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1k1c h VAL 81 CO 0.07 0.10 -0.12 0.00 -1.23 0.00 0.00 177.57 176.38 1k1c n GLN 82 N -4.57 1.72 0.00 5.19 10.64 -1.09 0.03 117.38 129.30 1k1c n GLN 82 Ca 0.20 -1.27 0.00 0.00 -1.83 0.00 0.00 57.00 54.10 1k1c n GLN 82 Cb 0.63 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 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 0.47 0.00 -1.74 2.61 2.13 0.28 -4.60 120.64 119.79 1k1c n GLU 83 Ca 0.14 0.35 -0.40 0.00 0.66 0.00 0.00 57.16 57.92 1k1c n GLU 83 Cb 0.47 -0.85 -0.01 0.00 0.27 0.00 0.00 31.44 31.32 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1k1c n GLU 84 N -2.11 4.08 0.00 5.31 0.28 -1.23 -5.09 120.64 121.88 1k1c n GLU 84 Ca 0.00 -2.94 0.00 0.00 -0.16 0.00 0.00 57.16 54.06 1k1c n GLU 84 Cb 0.00 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.11 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52