#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 3.44 0.05 5.55 0.74 -1.26 -3.31 119.66 124.86 1k1c s GLN 3 Ca 0.00 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 54.84 1k1c s GLN 3 Cb 0.00 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.28 1k1c s GLN 3 CO 0.00 0.32 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.92 1k1c s GLN 4 N 0.12 0.56 0.14 1.67 -0.44 -0.26 -4.94 119.66 116.50 1k1c s GLN 4 Ca -0.02 -1.04 -0.11 0.00 -2.50 0.00 0.00 55.36 51.68 1k1c s GLN 4 Cb -0.14 0.20 0.01 0.00 -1.64 0.00 0.00 33.01 31.44 1k1c s GLN 4 CO 0.03 -0.11 0.31 -1.59 0.50 0.00 0.00 175.29 174.43 1k1c s LYS 5 N -3.31 1.08 -0.07 1.67 0.00 -1.26 -0.01 119.74 117.84 1k1c s LYS 5 Ca 0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 55.97 54.98 1k1c s LYS 5 Cb 0.03 0.41 0.04 0.00 0.00 0.00 0.00 37.83 38.31 1k1c s LYS 5 CO -0.08 -0.40 0.14 0.14 0.00 0.00 0.00 175.35 175.15 1k1c s VAL 6 N -3.89 -0.11 0.29 1.79 -7.23 0.25 -4.90 120.40 106.61 1k1c s VAL 6 Ca 0.09 0.24 -0.07 0.00 -1.81 0.00 0.00 61.98 60.44 1k1c s VAL 6 Cb 0.03 -0.24 -0.06 0.00 0.56 0.00 0.00 36.38 36.67 1k1c s VAL 6 CO -0.06 0.10 0.59 -0.70 -0.31 0.00 0.00 175.10 174.71 1k1c s GLU 7 N 1.52 3.69 0.26 4.82 2.12 -1.26 -0.19 118.70 129.65 1k1c s GLU 7 Ca -0.05 0.14 -0.18 0.00 0.36 0.00 0.00 54.97 55.24 1k1c s GLU 7 Cb -0.12 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.68 1k1c s GLU 7 CO -0.06 0.20 0.62 0.14 -0.54 0.00 0.00 175.26 175.62 1k1c s VAL 8 N -2.07 0.00 0.10 3.70 -7.23 -0.42 -4.91 120.40 109.57 1k1c s VAL 8 Ca 0.46 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1k1c s VAL 8 Cb -0.11 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 1k1c s VAL 8 CO 0.28 -0.01 0.99 -0.60 -0.31 0.00 0.00 175.10 175.46 1k1c s ARG 9 N -3.95 4.65 -0.82 4.82 3.00 -1.26 0.02 118.95 125.42 1k1c s ARG 9 Ca 0.15 1.50 -0.25 0.00 -1.00 0.00 0.00 55.73 56.13 1k1c s ARG 9 Cb -0.04 -3.37 -0.19 0.00 0.00 0.00 0.00 34.95 31.35 1k1c s ARG 9 CO 0.07 0.14 1.90 -0.11 0.00 0.00 0.00 175.30 177.29 1k1c n LEU 10 N 2.95 2.75 0.18 -0.88 7.94 0.62 -2.85 117.00 127.71 1k1c n LEU 10 Ca 0.03 -2.67 0.05 0.00 -1.11 0.00 0.00 56.01 52.32 1k1c n LEU 10 Cb 0.49 -1.31 0.30 0.00 0.53 0.00 0.00 43.42 43.43 1k1c n LEU 10 CO 0.52 -1.67 0.65 0.50 -1.11 0.00 0.00 177.39 176.27 1k1c h LYS 11 N 9.47 0.00 0.30 1.96 3.11 -0.42 0.27 116.57 131.26 1k1c h LYS 11 Ca 0.26 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.08 1k1c h LYS 11 Cb 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 1k1c h LYS 11 CO 1.58 0.40 -0.14 1.79 -2.81 0.00 0.00 179.45 180.27 1k1c h THR 12 N 0.00 0.00 0.00 1.00 1.35 -1.09 -3.42 112.91 110.75 1k1c h THR 12 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1k1c h THR 12 Cb 0.96 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1k1c h THR 12 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1k1c n GLY 13 N -0.91 0.43 4.16 5.82 0.00 -1.16 -4.62 105.19 108.91 1k1c n GLY 13 Ca -0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 -0.83 -0.08 0.99 7.99 -0.27 -3.79 117.00 121.01 1k1c n LEU 14 Ca 0.00 -1.14 -0.08 0.00 -0.01 0.00 0.00 56.01 54.78 1k1c n LEU 14 Cb 0.00 -1.43 -0.03 0.00 -0.11 0.00 0.00 43.42 41.86 1k1c n LEU 14 CO 0.00 0.34 -0.58 0.00 -1.51 0.00 0.00 177.39 175.64 1k1c n GLN 15 N -4.09 0.51 0.00 3.23 3.00 -1.26 -4.16 117.38 114.60 1k1c n GLN 15 Ca -0.20 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1k1c n GLN 15 Cb 0.57 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k1c n ALA 16 N -4.19 1.86 0.09 -1.58 0.00 -1.26 -4.92 120.51 110.51 1k1c n ALA 16 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1k1c n ALA 16 Cb 0.44 0.00 -0.06 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 -0.30 -0.83 0.00 1.12 -1.96 0.35 114.38 112.76 1k1c h ARG 17 Ca 0.00 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.90 1k1c h ARG 17 Cb 0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1k1c h ARG 17 CO 0.00 0.02 0.55 -1.00 -3.11 0.00 0.00 179.97 176.42 1k1c h PRO 18 N -0.98 1.07 -0.19 0.20 0.13 -1.97 0.03 132.00 130.30 1k1c h PRO 18 Ca -0.03 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1k1c h PRO 18 Cb 0.45 -0.24 -0.06 0.00 0.13 0.00 0.00 31.00 31.28 1k1c h PRO 18 CO 0.05 0.71 -0.17 0.00 -0.23 0.00 0.00 178.00 178.36 1k1c h ALA 19 N 1.32 -0.05 -0.64 -0.56 0.00 -1.82 0.46 119.26 117.97 1k1c h ALA 19 Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1k1c h ALA 19 Cb -0.09 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1k1c h ALA 19 CO -0.08 -0.61 0.27 0.00 0.00 0.00 0.00 179.25 178.83 1k1c h ALA 20 N 0.90 0.82 0.37 0.00 0.00 0.39 0.13 119.26 121.87 1k1c h ALA 20 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k1c h ALA 20 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k1c h ALA 20 CO -0.30 0.43 -0.18 1.25 0.00 0.00 0.00 179.25 180.45 1k1c h LEU 21 N 0.89 -0.42 -0.07 0.00 6.46 -0.54 0.23 115.31 121.86 1k1c h LEU 21 Ca 0.21 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1k1c h LEU 21 Cb 0.18 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1k1c h LEU 21 CO -0.02 -0.28 -0.16 0.15 -0.62 0.00 0.00 178.44 177.51 1k1c h PHE 22 N -0.52 -0.47 -0.46 1.25 3.04 -0.63 0.15 116.94 119.29 1k1c h PHE 22 Ca -0.05 0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1k1c h PHE 22 Cb 0.39 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 39.06 1k1c h PHE 22 CO -0.05 -0.15 0.13 0.28 -2.02 0.00 0.00 178.31 176.50 1k1c h VAL 23 N -0.14 0.79 -0.33 1.41 2.07 -0.75 -0.82 116.25 118.48 1k1c h VAL 23 Ca 0.01 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1k1c h VAL 23 Cb 0.18 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1k1c h VAL 23 CO -0.14 0.05 -0.20 -0.61 0.02 0.00 0.00 177.57 176.69 1k1c h GLN 24 N 0.28 0.62 0.07 1.57 -0.00 -0.24 0.22 115.11 117.63 1k1c h GLN 24 Ca 0.23 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1k1c h GLN 24 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.70 1k1c h GLN 24 CO -0.26 0.78 -0.03 0.93 0.00 0.00 0.00 178.83 180.24 1k1c h GLU 25 N 0.55 -0.09 -0.83 1.69 4.39 -0.28 0.40 114.58 120.41 1k1c h GLU 25 Ca 0.08 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.99 1k1c h GLU 25 Cb 0.65 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.17 1k1c h GLU 25 CO 0.05 0.47 -0.02 0.00 -1.16 0.00 0.00 179.01 178.34 1k1c h ALA 26 N 0.00 0.84 -0.45 3.43 0.00 -1.14 0.11 119.26 122.06 1k1c h ALA 26 Ca -0.01 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1k1c h ALA 26 Cb 0.60 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1k1c h ALA 26 CO 0.02 -0.45 -0.02 -0.91 0.00 0.00 0.00 179.25 177.88 1k1c h ASN 27 N 0.07 0.72 -0.16 0.00 2.35 -0.45 -3.20 115.58 114.91 1k1c h ASN 27 Ca 0.46 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1k1c h ASN 27 Cb 0.83 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1k1c h ASN 27 CO -0.77 0.80 0.04 0.03 -1.65 0.00 0.00 177.43 175.89 1k1c h ARG 28 N 0.70 0.24 -6.45 0.81 3.08 0.24 -3.40 114.38 109.60 1k1c h ARG 28 Ca 0.13 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.60 1k1c h ARG 28 Cb 0.46 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.50 1k1c h ARG 28 CO 0.02 0.38 1.04 -0.06 -1.07 0.00 0.00 179.97 180.28 1k1c s PHE 29 N -5.35 2.28 -1.56 3.04 0.40 -0.72 -4.87 117.98 111.20 1k1c s PHE 29 Ca -0.14 0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 1k1c s PHE 29 Cb 0.06 -4.03 -0.04 0.00 0.51 0.00 0.00 43.02 39.52 1k1c s PHE 29 CO 0.70 -4.21 2.69 -2.37 0.70 0.00 0.00 175.22 172.73 1k1c n THR 30 N 4.80 3.98 -4.27 0.64 5.66 -1.26 -4.82 114.28 119.00 1k1c n THR 30 Ca 0.17 -2.71 -0.18 0.00 -3.05 0.00 0.00 64.05 58.27 1k1c n THR 30 Cb 0.40 -2.61 -0.13 0.00 -1.55 0.00 0.00 70.33 66.44 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 2.57 1.38 -1.07 1.09 0.01 -1.26 -0.38 113.70 116.04 1k1c s SER 31 Ca 0.61 -0.43 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 1k1c s SER 31 Cb 0.16 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1k1c s SER 31 CO -0.07 -0.01 1.74 -0.62 0.41 0.00 0.00 173.24 174.69 1k1c s ASP 32 N -1.11 5.90 0.49 2.44 2.15 0.17 -4.63 116.67 122.06 1k1c s ASP 32 Ca -0.01 -1.45 -0.17 0.00 0.43 0.00 0.00 52.55 51.35 1k1c s ASP 32 Cb -0.08 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.89 1k1c s ASP 32 CO 0.01 -2.10 0.95 -0.69 -0.17 0.00 0.00 175.17 173.18 1k1c s VAL 33 N 7.44 4.53 0.16 1.11 1.01 -1.26 -0.31 120.40 133.09 1k1c s VAL 33 Ca 0.59 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 1k1c s VAL 33 Cb -0.01 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1k1c s VAL 33 CO 0.00 -0.60 0.18 -0.36 0.00 0.00 0.00 175.10 174.32 1k1c s PHE 34 N -2.51 0.73 -0.11 5.22 0.08 0.50 -0.56 117.98 121.33 1k1c s PHE 34 Ca 0.59 -1.07 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 1k1c s PHE 34 Cb -0.10 -0.31 0.05 0.00 -0.57 0.00 0.00 43.02 42.09 1k1c s PHE 34 CO 0.28 -0.65 0.25 -1.17 -0.10 0.00 0.00 175.22 173.83 1k1c s LEU 35 N -3.04 0.37 -0.19 -0.37 2.96 0.53 -0.12 118.68 118.81 1k1c s LEU 35 Ca 0.25 0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1k1c s LEU 35 Cb 0.05 0.74 0.05 0.00 0.50 0.00 0.00 46.19 47.53 1k1c s LEU 35 CO 0.04 -0.17 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.25 1k1c s GLU 36 N 1.33 1.38 -0.61 1.98 2.02 0.40 -0.07 118.70 125.13 1k1c s GLU 36 Ca -0.09 -0.67 -0.26 0.00 0.02 0.00 0.00 54.97 53.97 1k1c s GLU 36 Cb -0.10 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 1k1c s GLU 36 CO -0.09 -0.52 2.13 0.15 0.02 0.00 0.00 175.26 176.95 1k1c s LYS 37 N 1.58 2.31 -1.38 1.61 1.02 0.29 -0.32 119.74 124.86 1k1c s LYS 37 Ca -0.02 0.81 -0.10 0.00 0.02 0.00 0.00 55.97 56.69 1k1c s LYS 37 Cb -0.17 -4.57 0.07 0.00 -0.52 0.00 0.00 37.83 32.64 1k1c s LYS 37 CO -0.07 -3.18 0.59 -0.25 -0.92 0.00 0.00 175.35 171.52 1k1c n ASP 38 N 14.67 -4.25 0.00 2.83 8.00 0.94 -0.69 116.55 138.05 1k1c n ASP 38 Ca 0.31 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1k1c n ASP 38 Cb 0.52 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 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 -1.31 2.72 3.49 0.44 0.00 -0.78 -5.01 105.19 104.74 1k1c n GLY 39 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.84 2.38 -3.09 1.61 4.76 0.13 -4.81 118.16 118.29 1k1c n LYS 40 Ca 0.00 -2.79 -0.30 0.00 -2.87 0.00 0.00 58.31 52.34 1k1c n LYS 40 Cb 0.00 -3.55 -0.04 0.00 -1.84 0.00 0.00 35.03 29.60 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 5.18 3.77 0.18 1.97 2.36 -1.25 -0.55 119.74 131.41 1k1c s LYS 41 Ca 0.60 0.34 -0.08 0.00 -2.55 0.00 0.00 55.97 54.28 1k1c s LYS 41 Cb 0.03 -2.50 -0.01 0.00 -1.05 0.00 0.00 37.83 34.30 1k1c s LYS 41 CO 0.10 0.10 0.29 0.14 1.55 0.00 0.00 175.35 177.53 1k1c s VAL 42 N -2.17 0.05 -0.51 4.02 -7.23 0.89 -4.88 120.40 110.57 1k1c s VAL 42 Ca 0.49 -1.47 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1k1c s VAL 42 Cb -0.10 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1k1c s VAL 42 CO 0.28 -0.22 2.03 0.21 -0.31 0.00 0.00 175.10 177.09 1k1c s ASN 43 N -3.00 5.14 0.27 4.85 3.04 -1.25 -0.35 114.94 123.63 1k1c s ASN 43 Ca 0.21 0.80 -0.01 0.00 0.04 0.00 0.00 52.86 53.90 1k1c s ASN 43 Cb 0.03 -2.52 0.58 0.00 -1.54 0.00 0.00 41.25 37.81 1k1c s ASN 43 CO 0.03 -2.39 1.70 0.00 -3.04 0.00 0.00 177.10 173.39 1k1c h ALA 44 N 15.99 1.19 0.00 1.71 0.00 -1.02 0.21 119.26 137.34 1k1c h ALA 44 Ca -0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 44 Cb 1.20 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1k1c h ALA 44 CO 1.16 -0.31 0.00 0.36 0.00 0.00 0.00 179.25 180.45 1k1c n LYS 45 N -5.08 0.00 -3.24 0.00 2.85 -1.26 -4.02 118.16 107.41 1k1c n LYS 45 Ca 0.18 0.04 -0.21 0.00 -1.05 0.00 0.00 58.31 57.27 1k1c n LYS 45 Cb 0.54 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.46 1k1c n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k1c s SER 46 N -3.00 5.00 0.20 -5.58 0.15 0.71 -4.82 113.70 106.36 1k1c s SER 46 Ca 0.13 -0.93 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 1k1c s SER 46 Cb 0.17 0.29 0.18 0.00 -1.71 0.00 0.00 66.02 64.95 1k1c s SER 46 CO 0.48 -1.26 1.59 -0.29 1.20 0.00 0.00 173.24 174.96 1k1c h ILE 47 N 0.33 0.20 0.00 6.45 -0.00 -1.89 0.17 117.51 122.77 1k1c h ILE 47 Ca -0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.54 1k1c h ILE 47 Cb 1.29 0.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.31 1k1c h ILE 47 CO 0.45 0.00 -0.03 -0.03 -0.00 0.00 0.00 178.15 178.54 1k1c h MET 48 N -0.11 0.00 0.19 2.19 4.05 -1.95 0.46 114.93 119.76 1k1c h MET 48 Ca 0.27 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1k1c h MET 48 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1k1c h MET 48 CO -0.71 0.03 -0.09 0.78 0.23 0.00 0.00 176.91 177.15 1k1c h GLY 49 N 2.45 -0.27 0.00 1.39 0.00 -0.86 -0.44 103.07 105.34 1k1c h GLY 49 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1k1c h GLY 49 CO 0.00 -0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.49 1k1c n LEU 50 N -4.58 0.00 -0.18 3.11 4.77 -0.13 0.39 117.00 120.38 1k1c n LEU 50 Ca -0.03 0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 56.61 1k1c n LEU 50 Cb 0.10 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1k1c n LEU 50 CO 0.08 -0.26 0.78 -0.03 -1.33 0.00 0.00 177.39 176.62 1k1c h MET 51 N 0.00 0.94 0.00 3.23 4.05 -0.24 0.86 114.93 123.77 1k1c h MET 51 Ca 0.00 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1k1c h MET 51 Cb 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1k1c h MET 51 CO 0.00 0.98 0.00 0.43 0.23 0.00 0.00 176.91 178.55 1k1c n SER 52 N -4.26 0.00 -0.02 1.39 7.64 -1.04 -4.51 113.62 112.82 1k1c n SER 52 Ca 0.01 0.19 -0.00 0.00 1.01 0.00 0.00 58.87 60.08 1k1c n SER 52 Cb 0.35 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.29 -3.43 -0.00 -0.86 -3.38 115.31 106.35 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 0.24 0.06 0.00 -0.00 0.00 0.00 178.44 178.74 1k1c n ALA 54 N -2.42 0.95 0.34 1.53 0.00 0.16 -0.78 120.51 120.29 1k1c n ALA 54 Ca -0.00 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.76 1k1c n ALA 54 Cb 0.02 -1.20 0.61 0.00 0.00 0.00 0.00 19.45 18.88 1k1c n ALA 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1k1c h VAL 55 N 0.00 0.00 -0.72 0.00 3.04 -0.88 -0.66 116.25 117.02 1k1c h VAL 55 Ca 0.00 -0.31 -0.73 0.00 -1.01 0.00 0.00 66.70 64.64 1k1c h VAL 55 Cb 0.13 1.15 -0.10 0.00 -2.01 0.00 0.00 31.29 30.46 1k1c h VAL 55 CO 0.00 0.00 2.60 -1.20 -1.01 0.00 0.00 177.57 177.96 1k1c n SER 56 N -2.61 4.85 -4.73 3.17 7.64 0.04 -4.43 113.62 117.55 1k1c n SER 56 Ca 0.01 -2.98 -0.65 0.00 1.01 0.00 0.00 58.87 56.27 1k1c n SER 56 Cb 0.24 -1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 61.79 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 4.02 0.10 0.00 0.44 -1.04 -1.24 -0.67 114.28 115.89 1k1c n THR 57 Ca 0.48 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1k1c n THR 57 Cb 0.36 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 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 4.14 1.19 3.70 3.41 0.00 0.93 -4.97 105.19 113.59 1k1c n GLY 58 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.20 4.91 -0.31 2.61 2.01 0.16 -4.60 115.64 118.21 1k1c s THR 59 Ca 0.00 1.76 -0.28 0.00 0.31 0.00 0.00 61.69 63.48 1k1c s THR 59 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1k1c s THR 59 CO 0.00 0.13 1.78 -1.61 -0.69 0.00 0.00 174.62 174.22 1k1c s GLU 60 N 1.41 3.42 -0.03 4.92 0.41 -1.26 -0.28 118.70 127.30 1k1c s GLU 60 Ca 0.44 1.49 0.06 0.00 -0.41 0.00 0.00 54.97 56.55 1k1c s GLU 60 Cb -0.18 -4.17 -0.01 0.00 -1.78 0.00 0.00 34.13 27.98 1k1c s GLU 60 CO 0.19 -1.76 -0.22 0.14 -0.49 0.00 0.00 175.26 173.13 1k1c s VAL 61 N 6.61 1.74 -0.16 2.63 -7.23 0.10 -0.04 120.40 124.05 1k1c s VAL 61 Ca 0.79 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 59.79 1k1c s VAL 61 Cb -0.23 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1k1c s VAL 61 CO 0.33 0.49 0.78 -0.89 -0.31 0.00 0.00 175.10 175.51 1k1c s THR 62 N -0.39 4.93 -0.40 5.32 2.01 0.56 -1.30 115.64 126.36 1k1c s THR 62 Ca 0.05 1.53 -0.23 0.00 0.31 0.00 0.00 61.69 63.35 1k1c s THR 62 Cb -0.10 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1k1c s THR 62 CO 0.00 0.07 0.80 -0.22 -0.69 0.00 0.00 174.62 174.58 1k1c s LEU 63 N 1.95 4.16 0.21 4.42 1.98 0.73 -0.45 118.68 131.67 1k1c s LEU 63 Ca 0.36 0.17 0.05 0.00 -2.89 0.00 0.00 54.13 51.83 1k1c s LEU 63 Cb -0.17 -3.02 -0.03 0.00 0.66 0.00 0.00 46.19 43.63 1k1c s LEU 63 CO 0.13 -0.83 0.26 -0.63 -1.89 0.00 0.00 176.35 173.40 1k1c s ILE 64 N 3.23 4.94 -0.19 6.68 1.01 0.83 -0.58 121.20 137.11 1k1c s ILE 64 Ca 0.31 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1k1c s ILE 64 Cb -0.12 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.78 1k1c s ILE 64 CO 0.20 -0.25 0.46 0.00 0.00 0.00 0.00 174.94 175.35 1k1c s ALA 65 N -1.93 -1.20 -0.44 9.38 0.00 0.99 -0.37 121.76 128.18 1k1c s ALA 65 Ca 0.33 1.69 0.08 0.00 0.00 0.00 0.00 51.96 54.06 1k1c s ALA 65 Cb -0.09 -1.02 0.28 0.00 0.00 0.00 0.00 23.12 22.29 1k1c s ALA 65 CO 0.27 -0.29 0.64 0.94 0.00 0.00 0.00 175.76 177.32 1k1c n GLN 66 N 4.25 1.27 -0.40 0.00 7.27 0.57 -1.10 117.38 129.24 1k1c n GLN 66 Ca -0.23 -3.63 0.00 0.00 0.07 0.00 0.00 57.00 53.21 1k1c n GLN 66 Cb 0.56 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.63 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 0.95 4.14 0.37 1.69 0.00 -1.21 -0.66 105.19 110.47 1k1c n GLY 67 Ca 0.24 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 0.96 -2.28 1.61 4.39 -1.08 -0.89 114.58 117.29 1k1c h GLU 68 Ca 0.00 -0.06 -0.71 0.00 0.34 0.00 0.00 59.36 58.93 1k1c h GLU 68 Cb 0.00 -0.22 -0.34 0.00 -0.10 0.00 0.00 28.75 28.10 1k1c h GLU 68 CO 0.00 0.64 0.31 -0.25 -1.16 0.00 0.00 179.01 178.54 1k1c n ASP 69 N -4.53 6.09 0.00 1.42 9.92 -1.26 -4.88 116.55 123.31 1k1c n ASP 69 Ca 0.16 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.74 1k1c n ASP 69 Cb 0.27 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1k1c n ASP 69 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1k1c n GLU 70 N -0.09 0.00 -0.34 -1.24 2.13 -0.34 -0.43 120.64 120.33 1k1c n GLU 70 Ca 0.40 0.00 0.20 0.00 0.66 0.00 0.00 57.16 58.42 1k1c n GLU 70 Cb 0.32 -0.76 0.44 0.00 0.27 0.00 0.00 31.44 31.71 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1k1c h GLN 71 N 0.00 0.47 -0.04 5.31 1.08 -1.86 -0.37 115.11 119.70 1k1c h GLN 71 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1k1c h GLN 71 Cb 0.00 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1k1c h GLN 71 CO 0.00 0.31 0.01 1.49 -0.95 0.00 0.00 178.83 179.69 1k1c h GLU 72 N 0.49 0.06 0.08 1.46 4.57 -1.92 -0.13 114.58 119.19 1k1c h GLU 72 Ca 0.64 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.80 1k1c h GLU 72 Cb 1.39 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1k1c h GLU 72 CO -0.41 0.26 -0.04 0.00 -1.18 0.00 0.00 179.01 177.64 1k1c h ALA 73 N 0.80 -0.11 -0.32 2.92 0.00 0.50 -0.51 119.26 122.54 1k1c h ALA 73 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 73 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1k1c h ALA 73 CO -0.00 -0.43 0.15 1.37 0.00 0.00 0.00 179.25 180.35 1k1c h LEU 74 N -0.38 0.22 0.43 0.00 8.10 -1.15 -0.26 115.31 122.28 1k1c h LEU 74 Ca -0.01 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 1k1c h LEU 74 Cb 0.32 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1k1c h LEU 74 CO 0.02 0.17 -0.21 -0.33 -4.11 0.00 0.00 178.44 173.98 1k1c h GLU 75 N 0.32 -0.56 -0.72 0.17 4.39 -0.99 0.37 114.58 117.56 1k1c h GLU 75 Ca 0.14 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.97 1k1c h GLU 75 Cb 0.06 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 1k1c h GLU 75 CO -0.10 -0.27 0.35 1.57 -1.16 0.00 0.00 179.01 179.40 1k1c h LYS 76 N -0.82 0.57 -0.16 2.33 2.10 -1.01 0.11 116.57 119.69 1k1c h LYS 76 Ca -0.06 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.44 1k1c h LYS 76 Cb 0.55 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1k1c h LYS 76 CO 0.10 0.38 -0.37 1.25 -2.00 0.00 0.00 179.45 178.81 1k1c h LEU 77 N 0.59 0.61 -2.13 7.07 5.85 -1.00 0.22 115.31 126.51 1k1c h LEU 77 Ca 0.36 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1k1c h LEU 77 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1k1c h LEU 77 CO -0.29 1.06 0.13 0.00 -0.34 0.00 0.00 178.44 179.00 1k1c h ALA 78 N 0.56 1.98 0.25 1.25 0.00 -0.54 0.34 119.26 123.09 1k1c h ALA 78 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k1c h ALA 78 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1k1c h ALA 78 CO 0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 179.25 179.01 1k1c h ALA 79 N 1.89 -0.33 0.59 0.00 0.00 -0.48 -3.35 119.26 117.58 1k1c h ALA 79 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 79 Cb 0.32 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1k1c h ALA 79 CO -0.00 -0.60 -0.28 -0.92 0.00 0.00 0.00 179.25 177.45 1k1c h TYR 80 N -0.51 -0.74 -1.26 0.00 3.20 0.12 -3.04 116.97 114.74 1k1c h TYR 80 Ca -0.03 -0.02 0.38 0.00 3.14 0.00 0.00 58.73 62.20 1k1c h TYR 80 Cb 0.38 0.24 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 1k1c h TYR 80 CO -0.01 -0.46 0.84 -0.39 -1.64 0.00 0.00 178.16 176.50 1k1c h VAL 81 N -1.14 0.27 -0.01 1.81 -1.51 -0.64 0.15 116.25 115.19 1k1c h VAL 81 Ca -0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1k1c h VAL 81 Cb 0.61 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 1k1c h VAL 81 CO 0.13 0.03 -0.67 0.00 -1.23 0.00 0.00 177.57 175.83 1k1c n GLN 82 N -4.56 1.18 0.25 5.19 10.64 -1.13 0.32 117.38 129.27 1k1c n GLN 82 Ca 0.33 -0.38 -0.10 0.00 -1.83 0.00 0.00 57.00 55.01 1k1c n GLN 82 Cb 1.28 -1.37 -0.05 0.00 -0.86 0.00 0.00 30.24 29.25 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 0.89 -0.66 0.00 2.61 4.81 -0.56 -3.44 114.58 118.24 1k1c h GLU 83 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1k1c h GLU 83 Cb 0.52 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1k1c h GLU 83 CO 0.00 -0.44 0.00 -0.85 -0.73 0.00 0.00 179.01 176.99 1k1c n GLU 84 N -5.02 0.00 0.00 1.92 0.28 -1.26 -5.09 120.64 111.47 1k1c n GLU 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1k1c n GLU 84 Cb 0.27 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.14 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30