#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 3.06 0.10 7.34 0.74 -1.26 -1.52 119.66 128.12 1k1c s GLN 3 Ca 0.00 -0.49 -0.06 0.00 0.05 0.00 0.00 55.36 54.86 1k1c s GLN 3 Cb 0.00 -2.74 -0.02 0.00 1.10 0.00 0.00 33.01 31.35 1k1c s GLN 3 CO 0.00 0.57 0.14 -0.65 -0.55 0.00 0.00 175.29 174.80 1k1c s GLN 4 N -0.55 0.85 -0.15 1.67 -1.52 -0.05 -4.93 119.66 115.00 1k1c s GLN 4 Ca 0.09 -1.12 -0.23 0.00 -1.95 0.00 0.00 55.36 52.15 1k1c s GLN 4 Cb -0.12 0.30 0.06 0.00 -0.22 0.00 0.00 33.01 33.03 1k1c s GLN 4 CO 0.02 -0.26 0.58 -1.59 -0.25 0.00 0.00 175.29 173.79 1k1c s LYS 5 N -3.92 0.79 -0.14 2.91 0.00 -1.26 -0.10 119.74 118.02 1k1c s LYS 5 Ca 0.10 0.53 0.02 0.00 0.00 0.00 0.00 55.97 56.62 1k1c s LYS 5 Cb 0.06 0.37 0.02 0.00 0.00 0.00 0.00 37.83 38.28 1k1c s LYS 5 CO -0.07 -0.16 -0.18 0.14 0.00 0.00 0.00 175.35 175.08 1k1c s VAL 6 N -0.32 1.77 0.47 1.79 -7.23 0.20 -4.85 120.40 112.24 1k1c s VAL 6 Ca -0.05 -0.79 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 1k1c s VAL 6 Cb -0.03 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.24 1k1c s VAL 6 CO 0.04 0.49 0.88 -1.61 -0.31 0.00 0.00 175.10 174.59 1k1c s GLU 7 N 1.06 3.81 0.24 4.82 8.01 -1.26 -0.27 118.70 135.12 1k1c s GLU 7 Ca -0.03 0.67 -0.22 0.00 0.01 0.00 0.00 54.97 55.40 1k1c s GLU 7 Cb -0.14 -2.26 0.03 0.00 -4.31 0.00 0.00 34.13 27.45 1k1c s GLU 7 CO -0.05 -0.19 0.69 0.14 0.01 0.00 0.00 175.26 175.87 1k1c s VAL 8 N -2.56 0.00 -0.14 2.63 -7.23 0.20 -4.89 120.40 108.41 1k1c s VAL 8 Ca 0.54 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 1k1c s VAL 8 Cb -0.10 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1k1c s VAL 8 CO 0.34 0.00 1.06 -0.60 -0.31 0.00 0.00 175.10 175.59 1k1c s ARG 9 N -3.86 4.36 -0.58 4.82 3.52 -1.26 0.06 118.95 126.00 1k1c s ARG 9 Ca 0.08 1.44 -0.15 0.00 -0.13 0.00 0.00 55.73 56.98 1k1c s ARG 9 Cb -0.05 -3.59 -0.13 0.00 -1.56 0.00 0.00 34.95 29.63 1k1c s ARG 9 CO 0.01 -0.45 1.79 -0.11 -0.81 0.00 0.00 175.30 175.74 1k1c n LEU 10 N 5.50 3.28 0.21 -0.88 7.94 0.55 -2.76 117.00 130.83 1k1c n LEU 10 Ca 0.10 -2.39 0.09 0.00 -1.11 0.00 0.00 56.01 52.70 1k1c n LEU 10 Cb 0.47 -0.92 0.40 0.00 0.53 0.00 0.00 43.42 43.91 1k1c n LEU 10 CO 0.53 -0.43 0.77 0.50 -1.11 0.00 0.00 177.39 177.65 1k1c h LYS 11 N 7.72 0.00 -0.34 1.96 3.11 -0.55 0.24 116.57 128.70 1k1c h LYS 11 Ca 0.36 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.18 1k1c h LYS 11 Cb 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 1k1c h LYS 11 CO 1.66 0.24 0.15 1.79 -2.81 0.00 0.00 179.45 180.48 1k1c h THR 12 N 0.00 1.18 -2.37 1.00 1.35 -0.75 -3.43 112.91 109.88 1k1c h THR 12 Ca -0.00 -0.53 -0.33 0.00 -0.55 0.00 0.00 66.41 65.01 1k1c h THR 12 Cb 0.82 0.89 -0.07 0.00 -1.73 0.00 0.00 68.15 68.06 1k1c h THR 12 CO 0.03 0.19 -0.36 0.61 -0.25 0.00 0.00 175.52 175.74 1k1c n GLY 13 N -0.80 0.50 4.25 5.82 0.00 -0.66 -3.82 105.19 110.48 1k1c n GLY 13 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.49 -0.74 0.04 0.99 7.99 -0.59 -3.79 117.00 118.41 1k1c n LEU 14 Ca -0.18 -1.27 -0.22 0.00 -0.01 0.00 0.00 56.01 54.33 1k1c n LEU 14 Cb 0.59 -1.57 -0.14 0.00 -0.11 0.00 0.00 43.42 42.19 1k1c n LEU 14 CO 0.23 0.55 -0.68 1.56 -1.51 0.00 0.00 177.39 177.54 1k1c h GLN 15 N -1.97 0.33 0.00 3.23 4.20 -1.87 -3.41 115.11 115.61 1k1c h GLN 15 Ca -0.67 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 57.49 1k1c h GLN 15 Cb 1.38 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1k1c h GLN 15 CO 0.65 1.27 0.00 0.00 -0.67 0.00 0.00 178.83 180.08 1k1c n ALA 16 N -2.94 0.00 -0.48 3.87 0.00 -1.26 -4.97 120.51 114.73 1k1c n ALA 16 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1k1c n ALA 16 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.87 0.00 0.26 0.00 3.00 -1.26 -0.70 116.66 115.09 1k1c n ARG 17 Ca 0.00 0.26 0.09 0.00 -0.01 0.00 0.00 57.85 58.19 1k1c n ARG 17 Cb 0.00 -0.91 0.66 0.00 0.00 0.00 0.00 32.46 32.22 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1k1c h PRO 18 N 0.00 0.00 0.09 5.56 0.13 -1.98 0.12 132.00 135.92 1k1c h PRO 18 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1k1c h PRO 18 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1k1c h PRO 18 CO 0.00 0.01 -0.27 0.00 -0.23 0.00 0.00 178.00 177.51 1k1c h ALA 19 N 1.99 -0.43 -0.54 -0.56 0.00 -1.82 0.25 119.26 118.16 1k1c h ALA 19 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1k1c h ALA 19 Cb 0.02 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1k1c h ALA 19 CO 0.00 -0.80 0.26 0.00 0.00 0.00 0.00 179.25 178.72 1k1c h ALA 20 N 0.28 0.69 -0.32 0.00 0.00 0.47 0.21 119.26 120.60 1k1c h ALA 20 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 20 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1k1c h ALA 20 CO -0.17 0.25 0.18 1.25 0.00 0.00 0.00 179.25 180.76 1k1c h LEU 21 N 0.72 0.39 0.03 0.00 6.46 -0.63 0.28 115.31 122.57 1k1c h LEU 21 Ca 0.19 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1k1c h LEU 21 Cb 0.11 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1k1c h LEU 21 CO -0.02 0.35 -0.20 0.15 -0.62 0.00 0.00 178.44 178.10 1k1c h PHE 22 N 0.40 -0.58 -0.95 1.25 3.04 -0.20 0.76 116.94 120.67 1k1c h PHE 22 Ca 0.11 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.16 1k1c h PHE 22 Cb 0.04 0.25 -0.07 0.00 2.56 0.00 0.00 35.95 38.73 1k1c h PHE 22 CO -0.03 -0.22 0.60 0.28 -2.02 0.00 0.00 178.31 176.91 1k1c h VAL 23 N -0.27 1.02 -0.29 1.41 2.07 -0.86 0.84 116.25 120.17 1k1c h VAL 23 Ca -0.00 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1k1c h VAL 23 Cb 0.28 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1k1c h VAL 23 CO -0.12 0.19 -0.11 0.06 0.02 0.00 0.00 177.57 177.61 1k1c h GLN 24 N 1.05 0.59 -0.02 1.57 -0.00 -0.11 0.74 115.11 118.93 1k1c h GLN 24 Ca 0.43 -0.25 -0.24 0.00 -0.00 0.00 0.00 58.65 58.59 1k1c h GLN 24 Cb 0.25 -0.02 0.01 0.00 -0.00 0.00 0.00 27.48 27.72 1k1c h GLN 24 CO -0.20 0.81 -0.96 1.05 -0.00 0.00 0.00 178.83 179.54 1k1c h GLU 25 N 0.34 0.56 -0.69 0.06 4.11 -0.48 0.54 114.58 119.03 1k1c h GLU 25 Ca 0.07 -0.58 0.14 0.00 0.07 0.00 0.00 59.36 59.06 1k1c h GLU 25 Cb 0.62 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 1k1c h GLU 25 CO 0.04 1.20 0.16 0.00 0.07 0.00 0.00 179.01 180.47 1k1c h ALA 26 N 0.60 0.85 -0.47 1.06 0.00 -0.79 0.14 119.26 120.66 1k1c h ALA 26 Ca -0.09 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1k1c h ALA 26 Cb 1.60 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1k1c h ALA 26 CO 0.18 -0.32 -0.11 -0.91 0.00 0.00 0.00 179.25 178.09 1k1c h ASN 27 N 0.27 0.84 -0.09 0.00 2.35 -0.33 -3.06 115.58 115.56 1k1c h ASN 27 Ca 0.38 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1k1c h ASN 27 Cb 0.61 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1k1c h ASN 27 CO -0.47 0.97 -0.09 0.03 -1.65 0.00 0.00 177.43 176.22 1k1c h ARG 28 N 0.77 -0.11 -6.39 0.81 3.08 0.17 -3.39 114.38 109.32 1k1c h ARG 28 Ca 0.13 0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.62 1k1c h ARG 28 Cb 0.61 0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.72 1k1c h ARG 28 CO 0.04 -0.07 1.09 1.19 -1.07 0.00 0.00 179.97 181.15 1k1c n PHE 29 N -5.22 2.45 -1.05 3.04 3.72 0.32 -4.86 117.46 115.85 1k1c n PHE 29 Ca -0.04 -0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 1k1c n PHE 29 Cb 0.15 -2.70 -0.11 0.00 -0.94 0.00 0.00 39.48 35.88 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 4.88 3.31 -4.07 4.37 -1.04 -1.26 -4.81 114.28 115.66 1k1c n THR 30 Ca 0.20 -1.81 -0.12 0.00 -2.04 0.00 0.00 64.05 60.28 1k1c n THR 30 Cb 0.34 -2.20 -0.11 0.00 -1.82 0.00 0.00 70.33 66.54 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 2.17 0.84 -1.21 8.00 0.01 -1.26 0.01 113.70 122.25 1k1c s SER 31 Ca 0.64 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 57.05 1k1c s SER 31 Cb 0.25 0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.47 1k1c s SER 31 CO -0.02 -0.27 1.90 0.47 0.41 0.00 0.00 173.24 175.73 1k1c n ASP 32 N 1.19 3.39 -4.75 2.44 8.00 -0.05 -4.62 116.55 122.14 1k1c n ASP 32 Ca -0.21 -2.74 -0.41 0.00 0.71 0.00 0.00 54.79 52.15 1k1c n ASP 32 Cb 0.56 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 1k1c n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k1c s VAL 33 N 9.89 3.45 0.27 2.53 1.01 -1.26 -0.10 120.40 136.19 1k1c s VAL 33 Ca 0.66 1.35 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1k1c s VAL 33 Cb 0.00 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1k1c s VAL 33 CO 0.13 0.28 0.06 -0.36 0.00 0.00 0.00 175.10 175.20 1k1c s PHE 34 N -0.70 1.69 -0.03 5.22 0.08 0.31 0.49 117.98 125.04 1k1c s PHE 34 Ca 0.48 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.48 1k1c s PHE 34 Cb -0.33 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1k1c s PHE 34 CO 0.40 -0.15 0.05 -1.17 -0.10 0.00 0.00 175.22 174.26 1k1c s LEU 35 N -3.37 0.67 -0.39 -0.37 2.96 0.99 -0.06 118.68 119.12 1k1c s LEU 35 Ca 0.35 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1k1c s LEU 35 Cb 0.08 -0.05 0.10 0.00 0.50 0.00 0.00 46.19 46.82 1k1c s LEU 35 CO 0.13 -0.18 0.17 -1.61 -1.32 0.00 0.00 176.35 173.54 1k1c s GLU 36 N 1.52 2.01 -1.13 1.98 2.02 0.92 -0.28 118.70 125.73 1k1c s GLU 36 Ca -0.04 -1.75 -0.23 0.00 0.02 0.00 0.00 54.97 52.97 1k1c s GLU 36 Cb -0.13 -3.50 -0.06 0.00 0.10 0.00 0.00 34.13 30.54 1k1c s GLU 36 CO -0.03 -1.00 1.90 0.15 0.02 0.00 0.00 175.26 176.29 1k1c s LYS 37 N 1.14 2.70 -1.44 1.61 1.02 0.35 -0.36 119.74 124.75 1k1c s LYS 37 Ca 0.07 -1.07 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 1k1c s LYS 37 Cb -0.22 -5.24 0.02 0.00 -0.52 0.00 0.00 37.83 31.87 1k1c s LYS 37 CO -0.04 -3.62 0.36 -0.25 -0.92 0.00 0.00 175.35 170.88 1k1c n ASP 38 N 13.50 -5.12 0.00 2.83 9.92 -1.24 -0.93 116.55 135.51 1k1c n ASP 38 Ca 0.44 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1k1c n ASP 38 Cb 0.47 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 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 -1.22 1.20 3.02 0.44 0.00 -1.24 -5.01 105.19 102.38 1k1c n GLY 39 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.01 2.20 -3.37 1.61 5.02 -0.10 -4.92 118.16 118.59 1k1c n LYS 40 Ca 0.00 -2.32 -0.38 0.00 -2.02 0.00 0.00 58.31 53.59 1k1c n LYS 40 Cb 0.00 -3.18 -0.06 0.00 -0.02 0.00 0.00 35.03 31.77 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 4.32 4.17 0.27 1.97 2.36 -1.23 -0.50 119.74 131.10 1k1c s LYS 41 Ca 0.54 0.51 -0.06 0.00 -2.55 0.00 0.00 55.97 54.41 1k1c s LYS 41 Cb 0.12 -3.32 -0.01 0.00 -1.05 0.00 0.00 37.83 33.57 1k1c s LYS 41 CO 0.03 0.45 0.38 0.14 1.55 0.00 0.00 175.35 177.90 1k1c s VAL 42 N -0.34 0.00 -0.53 4.02 -7.23 0.61 -4.91 120.40 112.02 1k1c s VAL 42 Ca 0.26 -1.64 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 1k1c s VAL 42 Cb -0.17 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1k1c s VAL 42 CO 0.13 0.00 1.87 0.20 -0.31 0.00 0.00 175.10 177.00 1k1c s ASN 43 N -3.14 5.39 0.22 4.85 -0.87 -1.26 -0.01 114.94 120.13 1k1c s ASN 43 Ca 0.30 0.65 -0.10 0.00 -1.57 0.00 0.00 52.86 52.13 1k1c s ASN 43 Cb 0.02 -2.53 0.31 0.00 -0.02 0.00 0.00 41.25 39.02 1k1c s ASN 43 CO 0.14 -2.22 1.66 0.00 -2.57 0.00 0.00 177.10 174.11 1k1c h ALA 44 N 14.66 0.63 0.00 0.60 0.00 -0.13 0.22 119.26 135.23 1k1c h ALA 44 Ca -0.28 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 44 Cb 1.17 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1k1c h ALA 44 CO 1.16 -0.39 0.00 0.36 0.00 0.00 0.00 179.25 180.39 1k1c n LYS 45 N -5.27 0.10 -3.23 0.00 2.85 -1.22 -3.27 118.16 108.12 1k1c n LYS 45 Ca 0.09 0.06 -0.19 0.00 -1.05 0.00 0.00 58.31 57.22 1k1c n LYS 45 Cb 0.36 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.89 5.26 0.22 -5.58 0.01 0.56 -4.83 113.70 106.46 1k1c s SER 46 Ca 0.15 -0.70 -0.09 0.00 1.31 0.00 0.00 55.95 56.63 1k1c s SER 46 Cb 0.17 -0.26 0.32 0.00 0.21 0.00 0.00 66.02 66.46 1k1c s SER 46 CO 0.44 -0.94 1.72 -0.29 0.41 0.00 0.00 173.24 174.58 1k1c h ILE 47 N 0.60 0.67 0.00 1.44 -0.00 -1.87 -0.34 117.51 118.01 1k1c h ILE 47 Ca -0.37 -0.11 -0.02 0.00 -0.00 0.00 0.00 64.86 64.35 1k1c h ILE 47 Cb 1.28 0.32 -0.00 0.00 -0.00 0.00 0.00 36.82 38.42 1k1c h ILE 47 CO 0.48 0.06 -0.11 -0.03 -0.00 0.00 0.00 178.15 178.54 1k1c h MET 48 N 0.33 0.00 0.00 2.19 4.05 -1.93 0.66 114.93 120.22 1k1c h MET 48 Ca 0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 1k1c h MET 48 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1k1c h MET 48 CO -0.38 0.11 0.00 0.41 0.23 0.00 0.00 176.91 177.28 1k1c n GLY 49 N -0.37 0.00 0.00 1.39 0.00 -0.03 -0.86 105.19 105.33 1k1c n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1k1c n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k1c n LEU 50 N -1.35 0.00 0.06 0.99 7.94 -0.24 0.39 117.00 124.79 1k1c n LEU 50 Ca 0.00 0.88 -0.13 0.00 -1.11 0.00 0.00 56.01 55.65 1k1c n LEU 50 Cb 0.00 -0.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.54 1k1c n LEU 50 CO 0.00 -0.38 0.23 0.00 -1.11 0.00 0.00 177.39 176.13 1k1c h MET 51 N 0.00 0.44 0.00 1.96 -0.00 0.05 -0.73 114.93 116.65 1k1c h MET 51 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 59.70 59.27 1k1c h MET 51 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1k1c h MET 51 CO 0.00 1.08 0.00 0.43 -0.00 0.00 0.00 176.91 178.42 1k1c n SER 52 N -3.78 0.00 0.18 -0.10 7.64 -0.66 -4.20 113.62 112.69 1k1c n SER 52 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 1k1c n SER 52 Cb 0.80 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.44 -2.01 -3.43 -0.00 -0.47 -3.27 115.31 105.69 1k1c h LEU 53 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1k1c h LEU 53 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1k1c h LEU 53 CO 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 178.44 178.59 1k1c h ALA 54 N -0.91 1.12 0.00 1.53 0.00 -0.19 -0.11 119.26 120.69 1k1c h ALA 54 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 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 0.09 -0.12 0.00 1.55 0.00 0.00 0.00 179.25 180.77 1k1c n VAL 55 N -2.66 0.71 -1.72 0.00 3.14 -0.28 -1.55 118.33 115.97 1k1c n VAL 55 Ca -0.02 0.18 -0.41 0.00 -2.96 0.00 0.00 64.34 61.12 1k1c n VAL 55 Cb 0.18 -0.85 -0.01 0.00 -1.06 0.00 0.00 33.84 32.10 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 -1.50 5.20 -4.52 6.55 7.64 -0.06 -4.52 113.62 122.41 1k1c n SER 56 Ca 0.05 -2.83 -0.64 0.00 1.01 0.00 0.00 58.87 56.46 1k1c n SER 56 Cb 0.22 -1.61 -0.11 0.00 -1.01 0.00 0.00 64.21 61.70 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 4.45 0.00 0.00 0.44 -1.04 -1.20 -0.61 114.28 116.32 1k1c n THR 57 Ca 0.57 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 1k1c n THR 57 Cb 0.35 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 5.59 0.27 3.70 3.41 0.00 0.75 -4.91 105.19 113.99 1k1c n GLY 58 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 4.89 -0.81 2.61 2.01 0.22 -4.49 115.64 118.07 1k1c s THR 59 Ca 0.00 1.80 -0.25 0.00 0.31 0.00 0.00 61.69 63.55 1k1c s THR 59 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1k1c s THR 59 CO 0.00 0.11 1.87 -1.61 -0.69 0.00 0.00 174.62 174.30 1k1c s GLU 60 N 1.49 2.65 0.15 4.92 0.41 -1.25 -0.33 118.70 126.75 1k1c s GLU 60 Ca 0.44 -0.03 0.09 0.00 -0.41 0.00 0.00 54.97 55.06 1k1c s GLU 60 Cb -0.18 -4.83 -0.04 0.00 -1.78 0.00 0.00 34.13 27.30 1k1c s GLU 60 CO 0.19 -3.06 -0.15 0.14 -0.49 0.00 0.00 175.26 171.88 1k1c s VAL 61 N 9.35 2.93 -0.22 2.63 -7.23 0.11 -3.60 120.40 124.36 1k1c s VAL 61 Ca 0.67 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 1k1c s VAL 61 Cb -0.08 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1k1c s VAL 61 CO 0.06 -0.01 0.80 -0.89 -0.31 0.00 0.00 175.10 174.75 1k1c s THR 62 N -1.44 4.88 -0.44 5.32 2.01 0.51 -0.63 115.64 125.85 1k1c s THR 62 Ca 0.21 1.52 -0.23 0.00 0.31 0.00 0.00 61.69 63.51 1k1c s THR 62 Cb -0.09 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1k1c s THR 62 CO 0.12 -0.02 0.76 -0.76 -0.69 0.00 0.00 174.62 174.03 1k1c s LEU 63 N 2.52 4.29 0.29 4.42 1.43 0.63 -0.05 118.68 132.21 1k1c s LEU 63 Ca 0.35 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1k1c s LEU 63 Cb -0.16 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1k1c s LEU 63 CO 0.09 -0.88 0.47 -0.63 0.23 0.00 0.00 176.35 175.63 1k1c s ILE 64 N 3.18 5.17 -0.14 -0.59 1.01 0.92 -0.62 121.20 130.13 1k1c s ILE 64 Ca 0.28 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1k1c s ILE 64 Cb -0.13 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1k1c s ILE 64 CO 0.22 -0.44 0.31 0.00 0.00 0.00 0.00 174.94 175.03 1k1c s ALA 65 N -2.15 -0.74 -0.55 9.38 0.00 0.85 -0.53 121.76 128.02 1k1c s ALA 65 Ca 0.38 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.55 1k1c s ALA 65 Cb -0.10 -0.90 0.35 0.00 0.00 0.00 0.00 23.12 22.47 1k1c s ALA 65 CO 0.33 -0.41 0.95 0.94 0.00 0.00 0.00 175.76 177.56 1k1c n GLN 66 N 4.72 3.09 -1.65 0.00 7.27 0.85 -0.87 117.38 130.79 1k1c n GLN 66 Ca -0.17 -4.72 0.00 0.00 0.07 0.00 0.00 57.00 52.18 1k1c n GLN 66 Cb 0.52 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.97 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 -0.23 3.57 0.37 1.69 0.00 -0.58 -0.87 105.19 109.13 1k1c n GLY 67 Ca 0.31 -1.48 0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 0.22 -0.32 1.61 4.39 -0.74 0.19 114.58 119.93 1k1c h GLU 68 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k1c h GLU 68 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1k1c h GLU 68 CO 0.00 0.15 0.00 -0.25 -1.16 0.00 0.00 179.01 177.75 1k1c n ASP 69 N -4.44 3.97 0.00 1.42 8.00 -1.26 -4.95 116.55 119.29 1k1c n ASP 69 Ca 0.11 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.77 1k1c n ASP 69 Cb 0.51 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.19 0.00 -0.31 -1.24 2.13 0.05 0.09 120.64 121.18 1k1c n GLU 70 Ca 0.21 0.20 0.14 0.00 0.66 0.00 0.00 57.16 58.37 1k1c n GLU 70 Cb 0.86 -0.46 0.30 0.00 0.27 0.00 0.00 31.44 32.40 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 0.10 0.70 5.31 5.75 -1.86 0.43 115.11 125.54 1k1c h GLN 71 Ca 0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1k1c h GLN 71 Cb 0.00 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.53 1k1c h GLN 71 CO 0.00 0.07 -0.34 1.49 -2.65 0.00 0.00 178.83 177.40 1k1c h GLU 72 N 0.11 -0.90 -0.20 1.69 4.57 -0.85 -0.92 114.58 118.07 1k1c h GLU 72 Ca 0.58 0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.88 1k1c h GLU 72 Cb 1.21 0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 29.93 1k1c h GLU 72 CO -0.77 -0.58 -0.33 0.00 -1.18 0.00 0.00 179.01 176.16 1k1c h ALA 73 N -0.81 -0.33 -0.50 2.92 0.00 0.12 0.98 119.26 121.64 1k1c h ALA 73 Ca -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1k1c h ALA 73 Cb 0.74 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1k1c h ALA 73 CO 0.16 -0.78 0.24 1.37 0.00 0.00 0.00 179.25 180.23 1k1c h LEU 74 N -0.36 0.66 0.01 0.00 8.10 -1.02 -0.84 115.31 121.85 1k1c h LEU 74 Ca 0.11 -0.13 0.02 0.00 0.11 0.00 0.00 57.88 57.99 1k1c h LEU 74 Cb 0.54 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 1k1c h LEU 74 CO -0.40 0.60 -0.12 -0.33 -4.11 0.00 0.00 178.44 174.09 1k1c h GLU 75 N 0.67 -0.19 -0.05 0.17 5.08 -0.56 0.02 114.58 119.71 1k1c h GLU 75 Ca 0.17 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1k1c h GLU 75 Cb 0.12 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1k1c h GLU 75 CO -0.02 -0.13 -0.40 0.87 -1.00 0.00 0.00 179.01 178.33 1k1c h LYS 76 N -0.20 -0.50 0.45 2.33 1.79 -0.55 0.20 116.57 120.09 1k1c h LYS 76 Ca 0.04 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1k1c h LYS 76 Cb 0.25 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1k1c h LYS 76 CO -0.11 -0.34 -0.32 -0.07 -1.08 0.00 0.00 179.45 177.53 1k1c h LEU 77 N -0.52 -0.84 -1.79 2.94 -0.00 -1.01 0.46 115.31 114.55 1k1c h LEU 77 Ca 0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1k1c h LEU 77 Cb 0.63 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1k1c h LEU 77 CO -0.34 -0.49 0.01 0.00 -0.00 0.00 0.00 178.44 177.62 1k1c h ALA 78 N -0.31 1.84 0.40 1.53 0.00 -0.81 0.79 119.26 122.70 1k1c h ALA 78 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 78 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1k1c h ALA 78 CO 0.02 0.13 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 1k1c h ALA 79 N 1.88 -0.54 -0.20 0.00 0.00 -0.18 -3.23 119.26 116.99 1k1c h ALA 79 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 79 Cb 0.08 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1k1c h ALA 79 CO -0.00 -0.78 0.06 -0.92 0.00 0.00 0.00 179.25 177.61 1k1c h TYR 80 N -0.58 0.31 -0.15 0.00 3.20 0.39 -2.73 116.97 117.41 1k1c h TYR 80 Ca -0.06 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 1k1c h TYR 80 Cb 0.44 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1k1c h TYR 80 CO -0.04 0.39 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.34 1k1c h VAL 81 N 0.14 1.18 0.00 1.81 -1.51 -0.99 -3.18 116.25 113.71 1k1c h VAL 81 Ca 0.06 -0.81 -0.15 0.00 -1.23 0.00 0.00 66.70 64.57 1k1c h VAL 81 Cb 0.22 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 30.58 1k1c h VAL 81 CO -0.00 0.25 -1.96 0.00 -1.23 0.00 0.00 177.57 174.63 1k1c n GLN 82 N -4.27 0.66 -0.30 5.19 10.64 -1.11 0.17 117.38 128.36 1k1c n GLN 82 Ca -0.01 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 1k1c n GLN 82 Cb 0.27 -1.59 0.07 0.00 -0.86 0.00 0.00 30.24 28.13 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 -0.04 0.00 2.61 4.11 -1.46 -3.43 114.58 116.37 1k1c h GLU 83 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1k1c h GLU 83 Cb 1.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1k1c h GLU 83 CO 0.02 -0.03 0.00 -0.85 0.07 0.00 0.00 179.01 178.22 1k1c n GLU 84 N -5.50 0.00 0.00 1.06 0.28 -1.26 -5.13 120.64 110.08 1k1c n GLU 84 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1k1c n GLU 84 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30