#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 0.98 0.24 7.34 0.00 -1.26 -1.94 119.66 125.02 1k1c s GLN 3 Ca 0.00 -0.71 0.02 0.00 -0.00 0.00 0.00 55.36 54.67 1k1c s GLN 3 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 33.01 33.38 1k1c s GLN 3 CO 0.00 -0.36 0.05 -1.14 0.00 0.00 0.00 175.29 173.84 1k1c s GLN 4 N -3.57 1.37 -0.23 9.60 -0.44 -1.26 -4.95 119.66 120.18 1k1c s GLN 4 Ca 0.02 -1.72 -0.12 0.00 -2.50 0.00 0.00 55.36 51.03 1k1c s GLN 4 Cb 0.02 -0.44 0.07 0.00 -1.64 0.00 0.00 33.01 31.02 1k1c s GLN 4 CO -0.10 -0.20 0.55 -1.59 0.50 0.00 0.00 175.29 174.45 1k1c s LYS 5 N -3.95 0.55 -0.21 1.67 0.00 -1.25 -2.37 119.74 114.19 1k1c s LYS 5 Ca 0.33 1.02 -0.01 0.00 0.00 0.00 0.00 55.97 57.31 1k1c s LYS 5 Cb 0.07 0.08 0.01 0.00 0.00 0.00 0.00 37.83 37.99 1k1c s LYS 5 CO 0.11 -0.16 -0.12 0.14 0.00 0.00 0.00 175.35 175.32 1k1c s VAL 6 N 1.57 2.67 0.35 1.79 -7.23 0.10 -4.76 120.40 114.90 1k1c s VAL 6 Ca -0.10 -0.79 -0.25 0.00 -1.81 0.00 0.00 61.98 59.03 1k1c s VAL 6 Cb -0.07 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1k1c s VAL 6 CO -0.16 0.44 0.96 -1.83 -0.31 0.00 0.00 175.10 174.20 1k1c s GLU 7 N 1.36 4.47 0.13 4.82 1.03 -1.26 -0.25 118.70 129.01 1k1c s GLU 7 Ca 0.04 1.33 -0.12 0.00 0.03 0.00 0.00 54.97 56.25 1k1c s GLU 7 Cb -0.14 -2.67 0.01 0.00 -0.80 0.00 0.00 34.13 30.53 1k1c s GLU 7 CO -0.08 0.17 0.32 0.14 -1.33 0.00 0.00 175.26 174.48 1k1c s VAL 8 N -1.70 0.09 0.17 1.83 -7.23 0.35 -4.83 120.40 109.08 1k1c s VAL 8 Ca 0.53 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 1k1c s VAL 8 Cb -0.18 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.27 1k1c s VAL 8 CO 0.23 -0.40 0.61 -0.60 -0.31 0.00 0.00 175.10 174.63 1k1c s ARG 9 N -3.87 4.07 -1.16 4.82 3.52 -1.24 0.25 118.95 125.33 1k1c s ARG 9 Ca 0.07 0.62 -0.21 0.00 -0.13 0.00 0.00 55.73 56.08 1k1c s ARG 9 Cb 0.03 -2.91 -0.06 0.00 -1.56 0.00 0.00 34.95 30.46 1k1c s ARG 9 CO -0.08 0.45 1.90 1.28 -0.81 0.00 0.00 175.30 178.04 1k1c n LEU 10 N 0.76 3.87 0.11 -0.88 7.99 0.43 -2.93 117.00 126.35 1k1c n LEU 10 Ca -0.04 -3.36 -0.04 0.00 -0.01 0.00 0.00 56.01 52.57 1k1c n LEU 10 Cb 0.52 -1.64 0.09 0.00 -0.11 0.00 0.00 43.42 42.28 1k1c n LEU 10 CO 0.43 -0.99 0.40 0.50 -1.51 0.00 0.00 177.39 176.22 1k1c h LYS 11 N 8.72 0.05 0.34 3.23 3.64 -1.12 0.22 116.57 131.65 1k1c h LYS 11 Ca 0.32 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1k1c h LYS 11 Cb 0.86 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1k1c h LYS 11 CO 1.43 0.74 -0.16 1.79 -2.27 0.00 0.00 179.45 180.98 1k1c h THR 12 N 0.03 0.00 -2.79 1.00 1.35 -0.82 -3.43 112.91 108.25 1k1c h THR 12 Ca -0.01 -0.11 -0.36 0.00 -0.55 0.00 0.00 66.41 65.38 1k1c h THR 12 Cb 1.26 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1k1c h THR 12 CO 0.10 0.00 -0.48 0.61 -0.25 0.00 0.00 175.52 175.50 1k1c n GLY 13 N -0.51 -0.38 4.17 5.82 0.00 -1.15 -4.04 105.19 109.09 1k1c n GLY 13 Ca -0.06 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.75 -0.50 -0.06 0.99 7.99 -0.87 -3.75 117.00 118.06 1k1c n LEU 14 Ca -0.20 -1.26 -0.02 0.00 -0.01 0.00 0.00 56.01 54.52 1k1c n LEU 14 Cb 0.66 -1.53 -0.01 0.00 -0.11 0.00 0.00 43.42 42.43 1k1c n LEU 14 CO 0.27 0.64 -0.14 1.56 -1.51 0.00 0.00 177.39 178.21 1k1c h GLN 15 N -2.11 0.00 0.00 3.23 4.20 -1.88 -3.39 115.11 115.16 1k1c h GLN 15 Ca -0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.04 1k1c h GLN 15 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1k1c h GLN 15 CO 0.59 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.75 1k1c n ALA 16 N -3.09 1.66 0.02 3.87 0.00 -1.26 -4.99 120.51 116.71 1k1c n ALA 16 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1k1c n ALA 16 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.17 0.06 -0.33 0.00 1.74 -1.26 -4.15 116.66 110.55 1k1c n ARG 17 Ca 0.00 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1k1c n ARG 17 Cb 0.00 -0.44 0.21 0.00 -1.02 0.00 0.00 32.46 31.22 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1k1c h PRO 18 N -0.11 1.06 -0.37 5.56 0.13 -1.97 0.80 132.00 137.10 1k1c h PRO 18 Ca 0.00 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1k1c h PRO 18 Cb 0.11 -0.24 -0.06 0.00 0.13 0.00 0.00 31.00 30.94 1k1c h PRO 18 CO 0.00 0.70 0.01 0.00 -0.23 0.00 0.00 178.00 178.48 1k1c h ALA 19 N 1.49 0.34 -0.90 -0.56 0.00 -1.90 0.23 119.26 117.94 1k1c h ALA 19 Ca 0.41 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1k1c h ALA 19 Cb 0.19 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1k1c h ALA 19 CO -0.16 -0.39 0.59 0.00 0.00 0.00 0.00 179.25 179.30 1k1c h ALA 20 N 1.31 1.45 -0.79 0.00 0.00 -1.13 -0.08 119.26 120.02 1k1c h ALA 20 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1k1c h ALA 20 Cb 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1k1c h ALA 20 CO -0.29 0.45 0.38 1.25 0.00 0.00 0.00 179.25 181.05 1k1c h LEU 21 N 1.11 1.03 0.33 0.00 6.46 1.00 0.32 115.31 125.56 1k1c h LEU 21 Ca 0.37 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1k1c h LEU 21 Cb 0.06 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 1k1c h LEU 21 CO -0.12 0.87 -0.52 0.15 -0.62 0.00 0.00 178.44 178.21 1k1c h PHE 22 N 1.12 -1.48 -0.90 1.25 3.04 0.11 0.12 116.94 120.19 1k1c h PHE 22 Ca 0.27 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.28 1k1c h PHE 22 Cb 0.11 0.60 -0.05 0.00 2.56 0.00 0.00 35.95 39.17 1k1c h PHE 22 CO 0.01 -0.64 0.58 0.28 -2.02 0.00 0.00 178.31 176.52 1k1c h VAL 23 N -0.90 1.15 -0.32 1.41 2.07 -0.80 0.31 116.25 119.19 1k1c h VAL 23 Ca -0.04 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1k1c h VAL 23 Cb 0.83 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1k1c h VAL 23 CO -0.17 0.21 -0.25 0.06 0.02 0.00 0.00 177.57 177.44 1k1c h GLN 24 N 1.14 0.63 -0.01 1.57 3.07 -0.02 0.14 115.11 121.62 1k1c h GLN 24 Ca 0.36 -0.25 -0.07 0.00 0.09 0.00 0.00 58.65 58.78 1k1c h GLN 24 Cb -0.00 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.53 1k1c h GLN 24 CO -0.12 0.82 -0.27 0.93 0.09 0.00 0.00 178.83 180.29 1k1c h GLU 25 N 0.55 0.20 -0.78 0.06 4.39 -0.21 0.49 114.58 119.28 1k1c h GLU 25 Ca 0.08 -0.20 0.18 0.00 0.34 0.00 0.00 59.36 59.76 1k1c h GLU 25 Cb 0.72 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.28 1k1c h GLU 25 CO 0.05 0.91 -0.03 0.00 -1.16 0.00 0.00 179.01 178.79 1k1c h ALA 26 N 0.29 0.77 -0.32 3.43 0.00 -0.91 0.29 119.26 122.81 1k1c h ALA 26 Ca -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1k1c h ALA 26 Cb 1.00 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1k1c h ALA 26 CO 0.05 -0.43 0.11 -0.91 0.00 0.00 0.00 179.25 178.07 1k1c h ASN 27 N 0.07 0.46 -0.49 0.00 2.35 -0.59 -3.17 115.58 114.21 1k1c h ASN 27 Ca 0.42 -0.19 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 1k1c h ASN 27 Cb 0.75 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.91 1k1c h ASN 27 CO -0.72 0.53 -0.03 0.03 -1.65 0.00 0.00 177.43 175.59 1k1c h ARG 28 N 0.36 0.08 -6.25 0.81 3.08 0.20 -3.36 114.38 109.31 1k1c h ARG 28 Ca 0.10 -0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.59 1k1c h ARG 28 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1k1c h ARG 28 CO -0.01 0.05 1.09 -0.06 -1.07 0.00 0.00 179.97 179.98 1k1c s PHE 29 N -6.18 2.13 -1.35 3.04 0.08 -0.47 -4.86 117.98 110.36 1k1c s PHE 29 Ca -0.14 0.45 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 1k1c s PHE 29 Cb 0.16 -3.89 -0.01 0.00 -0.57 0.00 0.00 43.02 38.70 1k1c s PHE 29 CO 0.72 -3.19 2.28 -2.37 -0.10 0.00 0.00 175.22 172.56 1k1c n THR 30 N 5.90 3.27 -4.11 0.64 5.66 -1.26 -4.78 114.28 119.60 1k1c n THR 30 Ca 0.18 -2.66 -0.14 0.00 -3.05 0.00 0.00 64.05 58.38 1k1c n THR 30 Cb 0.44 -2.55 -0.12 0.00 -1.55 0.00 0.00 70.33 66.55 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 3.35 0.88 -1.19 1.09 0.01 -1.26 -0.33 113.70 116.25 1k1c s SER 31 Ca 0.52 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 57.14 1k1c s SER 31 Cb 0.14 -0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.39 1k1c s SER 31 CO -0.05 -0.11 1.76 -0.62 0.41 0.00 0.00 173.24 174.63 1k1c s ASP 32 N -1.17 6.17 0.39 2.44 2.15 0.10 -4.66 116.67 122.08 1k1c s ASP 32 Ca -0.06 -1.94 -0.24 0.00 0.43 0.00 0.00 52.55 50.74 1k1c s ASP 32 Cb -0.08 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 39.87 1k1c s ASP 32 CO 0.00 -1.86 1.05 -0.69 -0.17 0.00 0.00 175.17 173.51 1k1c s VAL 33 N 6.64 3.70 0.24 1.11 1.01 -1.26 -0.59 120.40 131.23 1k1c s VAL 33 Ca 0.58 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1k1c s VAL 33 Cb 0.01 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1k1c s VAL 33 CO 0.06 0.04 0.07 -0.36 0.00 0.00 0.00 175.10 174.90 1k1c s PHE 34 N -1.61 1.46 -0.11 5.22 0.08 0.40 -0.41 117.98 123.01 1k1c s PHE 34 Ca 0.57 -1.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.44 1k1c s PHE 34 Cb -0.23 -0.85 0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1k1c s PHE 34 CO 0.29 -0.29 0.24 -1.17 -0.10 0.00 0.00 175.22 174.19 1k1c s LEU 35 N -3.28 0.27 -0.34 -0.37 2.96 0.66 -0.24 118.68 118.34 1k1c s LEU 35 Ca 0.34 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1k1c s LEU 35 Cb 0.07 0.70 0.10 0.00 0.50 0.00 0.00 46.19 47.57 1k1c s LEU 35 CO 0.11 -0.18 0.05 -1.61 -1.32 0.00 0.00 176.35 173.40 1k1c s GLU 36 N 1.51 1.49 -0.67 1.98 2.02 0.84 -0.14 118.70 125.72 1k1c s GLU 36 Ca -0.07 -1.89 -0.26 0.00 0.02 0.00 0.00 54.97 52.77 1k1c s GLU 36 Cb -0.11 -3.21 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 1k1c s GLU 36 CO -0.08 -0.94 2.40 0.15 0.02 0.00 0.00 175.26 176.80 1k1c s LYS 37 N 0.89 1.82 -1.25 1.61 -0.14 0.10 -0.15 119.74 122.62 1k1c s LYS 37 Ca 0.11 0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 55.53 1k1c s LYS 37 Cb -0.19 -4.71 0.02 0.00 -1.68 0.00 0.00 37.83 31.27 1k1c s LYS 37 CO -0.08 -3.95 0.21 -0.25 -0.76 0.00 0.00 175.35 170.51 1k1c n ASP 38 N 17.45 -4.36 0.00 2.83 9.92 0.49 -0.83 116.55 142.06 1k1c n ASP 38 Ca 0.42 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1k1c n ASP 38 Cb 0.48 -3.64 0.00 0.00 -0.64 0.00 0.00 41.12 37.32 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 -1.02 1.73 3.56 0.44 0.00 -0.36 -5.04 105.19 104.51 1k1c n GLY 39 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.11 3.07 0.27 1.61 -0.14 -0.01 -4.80 119.74 119.63 1k1c s LYS 40 Ca 0.00 -0.67 -0.06 0.00 -1.36 0.00 0.00 55.97 53.88 1k1c s LYS 40 Cb 0.00 -5.18 -0.06 0.00 -1.68 0.00 0.00 37.83 30.92 1k1c s LYS 40 CO 0.00 -2.78 0.54 0.21 -0.76 0.00 0.00 175.35 172.57 1k1c s LYS 41 N 6.01 3.67 0.25 1.68 2.36 -1.25 0.02 119.74 132.48 1k1c s LYS 41 Ca 0.58 0.07 -0.08 0.00 -2.55 0.00 0.00 55.97 53.98 1k1c s LYS 41 Cb -0.04 -2.66 -0.01 0.00 -1.05 0.00 0.00 37.83 34.08 1k1c s LYS 41 CO -0.05 0.25 0.39 0.14 1.55 0.00 0.00 175.35 177.63 1k1c s VAL 42 N -2.00 0.00 -0.48 4.02 -7.23 0.81 -4.90 120.40 110.61 1k1c s VAL 42 Ca 0.45 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 1k1c s VAL 42 Cb -0.11 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1k1c s VAL 42 CO 0.28 0.00 1.86 0.20 -0.31 0.00 0.00 175.10 177.13 1k1c s ASN 43 N -3.08 5.49 0.26 4.85 0.02 -1.25 -0.25 114.94 120.98 1k1c s ASN 43 Ca 0.28 0.79 -0.03 0.00 -1.02 0.00 0.00 52.86 52.88 1k1c s ASN 43 Cb 0.01 -2.53 0.53 0.00 0.02 0.00 0.00 41.25 39.28 1k1c s ASN 43 CO 0.11 -2.12 1.69 0.00 0.02 0.00 0.00 177.10 176.81 1k1c h ALA 44 N 14.31 1.07 -0.00 0.60 0.00 -0.90 0.20 119.26 134.54 1k1c h ALA 44 Ca -0.29 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 44 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1k1c h ALA 44 CO 1.14 -0.34 -0.18 0.36 0.00 0.00 0.00 179.25 180.23 1k1c n LYS 45 N -5.13 0.52 -3.00 0.00 2.85 -1.26 -3.66 118.16 108.48 1k1c n LYS 45 Ca 0.16 -0.21 -0.19 0.00 -1.05 0.00 0.00 58.31 57.01 1k1c n LYS 45 Cb 0.51 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.45 1k1c n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k1c n SER 46 N -1.05 2.12 -0.13 -5.58 2.88 0.56 -4.81 113.62 107.62 1k1c n SER 46 Ca 0.12 -2.54 -0.04 0.00 -1.33 0.00 0.00 58.87 55.08 1k1c n SER 46 Cb 0.31 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1k1c n SER 46 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1k1c h ILE 47 N 0.14 0.76 0.00 2.46 -0.00 -1.90 0.31 117.51 119.28 1k1c h ILE 47 Ca -0.27 -0.06 -0.03 0.00 -0.00 0.00 0.00 64.86 64.50 1k1c h ILE 47 Cb 1.23 0.56 -0.00 0.00 -0.00 0.00 0.00 36.82 38.60 1k1c h ILE 47 CO 0.39 0.03 -0.13 -0.03 -0.00 0.00 0.00 178.15 178.42 1k1c h MET 48 N 0.19 0.00 0.00 2.19 4.05 -1.94 0.70 114.93 120.11 1k1c h MET 48 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1k1c h MET 48 Cb 0.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1k1c h MET 48 CO -0.28 0.13 0.00 0.41 0.23 0.00 0.00 176.91 177.40 1k1c n GLY 49 N -0.19 -0.50 0.09 1.39 0.00 -0.30 -0.62 105.19 105.05 1k1c n GLY 49 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1k1c n GLY 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1k1c h LEU 50 N 0.00 -0.30 -0.26 0.99 6.46 -0.83 0.54 115.31 121.91 1k1c h LEU 50 Ca 0.00 0.03 -0.21 0.00 -0.12 0.00 0.00 57.88 57.58 1k1c h LEU 50 Cb 0.00 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1k1c h LEU 50 CO 0.00 -0.10 -0.78 -0.03 -0.62 0.00 0.00 178.44 176.92 1k1c h MET 51 N -0.13 0.62 0.00 1.25 4.05 0.10 -0.17 114.93 120.65 1k1c h MET 51 Ca 0.00 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1k1c h MET 51 Cb 0.13 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1k1c h MET 51 CO -0.06 1.13 0.00 0.43 0.23 0.00 0.00 176.91 178.64 1k1c n SER 52 N -3.88 0.00 -0.06 1.39 7.64 0.01 -4.55 113.62 114.17 1k1c n SER 52 Ca -0.06 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.77 1k1c n SER 52 Cb 0.74 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.90 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 -2.02 -3.43 4.07 -0.47 -3.36 115.31 110.10 1k1c h LEU 53 Ca 0.00 -0.28 0.13 0.00 0.08 0.00 0.00 57.88 57.81 1k1c h LEU 53 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1k1c h LEU 53 CO 0.00 0.68 0.34 0.00 -1.08 0.00 0.00 178.44 178.38 1k1c h ALA 54 N -0.72 2.35 0.00 1.53 0.00 -0.09 0.16 119.26 122.50 1k1c h ALA 54 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k1c h ALA 54 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1k1c h ALA 54 CO -0.01 -0.56 0.00 1.55 0.00 0.00 0.00 179.25 180.23 1k1c n VAL 55 N -4.27 0.88 -1.96 0.00 3.14 -0.07 -2.04 118.33 113.99 1k1c n VAL 55 Ca 0.08 0.22 -0.42 0.00 -2.96 0.00 0.00 64.34 61.25 1k1c n VAL 55 Cb 0.53 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 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 -1.37 4.38 -3.89 6.55 7.64 0.57 -4.51 113.62 122.97 1k1c n SER 56 Ca 0.05 -2.95 -0.56 0.00 1.01 0.00 0.00 58.87 56.42 1k1c n SER 56 Cb 0.12 -1.59 -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 4.39 0.00 0.00 0.44 -1.04 -1.26 -0.47 114.28 116.34 1k1c n THR 57 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1k1c n THR 57 Cb 0.38 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 3.77 0.83 3.77 3.41 0.00 0.78 -4.85 105.19 112.89 1k1c n GLY 58 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.12 4.13 -0.99 2.61 2.01 0.37 -4.44 115.64 117.21 1k1c s THR 59 Ca 0.00 1.93 -0.17 0.00 0.31 0.00 0.00 61.69 63.76 1k1c s THR 59 Cb 0.00 -4.15 0.15 0.00 0.01 0.00 0.00 72.50 68.51 1k1c s THR 59 CO 0.00 0.30 1.18 -1.61 -0.69 0.00 0.00 174.62 173.80 1k1c s GLU 60 N -1.66 3.71 -0.14 4.92 0.41 -1.25 -0.43 118.70 124.27 1k1c s GLU 60 Ca 0.46 -1.99 -0.06 0.00 -0.41 0.00 0.00 54.97 52.97 1k1c s GLU 60 Cb -0.22 -4.92 -0.04 0.00 -1.78 0.00 0.00 34.13 27.17 1k1c s GLU 60 CO 0.28 -1.74 0.07 0.14 -0.49 0.00 0.00 175.26 173.51 1k1c s VAL 61 N 2.28 4.89 -0.38 2.63 -7.23 0.14 -0.38 120.40 122.35 1k1c s VAL 61 Ca 0.34 -0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.22 1k1c s VAL 61 Cb -0.05 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1k1c s VAL 61 CO -0.07 0.54 1.04 -0.89 -0.31 0.00 0.00 175.10 175.40 1k1c s THR 62 N -0.30 4.45 -0.38 5.32 2.01 0.79 -0.50 115.64 127.03 1k1c s THR 62 Ca 0.09 1.39 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 1k1c s THR 62 Cb -0.12 -4.44 0.02 0.00 0.01 0.00 0.00 72.50 67.97 1k1c s THR 62 CO 0.02 -0.65 1.08 -0.22 -0.69 0.00 0.00 174.62 174.15 1k1c s LEU 63 N 3.81 3.85 0.29 4.42 1.98 0.65 -0.12 118.68 133.57 1k1c s LEU 63 Ca 0.43 0.81 0.07 0.00 -2.89 0.00 0.00 54.13 52.55 1k1c s LEU 63 Cb -0.11 -3.51 -0.03 0.00 0.66 0.00 0.00 46.19 43.20 1k1c s LEU 63 CO 0.21 -1.00 0.31 -0.63 -1.89 0.00 0.00 176.35 173.35 1k1c s ILE 64 N 3.89 4.20 -0.34 6.68 1.01 0.67 -0.72 121.20 136.59 1k1c s ILE 64 Ca 0.45 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1k1c s ILE 64 Cb -0.11 -3.41 0.17 0.00 0.01 0.00 0.00 42.46 39.12 1k1c s ILE 64 CO 0.21 -0.25 0.46 0.00 0.00 0.00 0.00 174.94 175.35 1k1c s ALA 65 N -2.17 -1.27 -1.21 9.38 0.00 -1.00 -0.45 121.76 125.04 1k1c s ALA 65 Ca 0.38 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1k1c s ALA 65 Cb -0.08 -2.24 0.21 0.00 0.00 0.00 0.00 23.12 21.02 1k1c s ALA 65 CO 0.27 -1.99 1.68 0.00 0.00 0.00 0.00 175.76 175.73 1k1c n GLN 66 N 4.79 3.83 -1.15 0.00 10.64 0.24 -3.71 117.38 132.03 1k1c n GLN 66 Ca 0.07 -3.89 0.00 0.00 -1.83 0.00 0.00 57.00 51.34 1k1c n GLN 66 Cb 0.50 -2.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.07 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1k1c n GLY 67 N 2.52 2.69 0.33 2.61 0.00 -0.82 -0.73 105.19 111.80 1k1c n GLY 67 Ca 0.35 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 0.10 -0.44 1.61 4.39 -1.01 0.14 114.58 119.38 1k1c h GLU 68 Ca 0.00 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1k1c h GLU 68 Cb 0.00 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.51 1k1c h GLU 68 CO 0.00 0.07 0.05 -0.25 -1.16 0.00 0.00 179.01 177.71 1k1c n ASP 69 N -4.45 3.00 0.00 1.42 9.92 -1.26 -4.92 116.55 120.25 1k1c n ASP 69 Ca 0.05 -3.59 0.00 0.00 -0.53 0.00 0.00 54.79 50.72 1k1c n ASP 69 Cb 0.36 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 -0.97 0.00 -0.14 -1.24 2.13 0.04 0.08 120.64 120.54 1k1c n GLU 70 Ca 0.35 0.27 0.27 0.00 0.66 0.00 0.00 57.16 58.72 1k1c n GLU 70 Cb 1.11 -0.63 0.72 0.00 0.27 0.00 0.00 31.44 32.91 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 0.00 0.29 5.31 5.75 -1.86 -0.39 115.11 124.21 1k1c h GLN 71 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1k1c h GLN 71 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1k1c h GLN 71 CO 0.00 0.00 -0.14 1.49 -2.65 0.00 0.00 178.83 177.53 1k1c h GLU 72 N 0.00 -0.38 0.26 1.69 4.57 -1.18 -3.26 114.58 116.28 1k1c h GLU 72 Ca 0.39 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1k1c h GLU 72 Cb 1.66 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 30.30 1k1c h GLU 72 CO -0.00 -0.25 -0.50 0.00 -1.18 0.00 0.00 179.01 177.08 1k1c h ALA 73 N -1.60 -1.04 -0.26 2.92 0.00 0.54 0.87 119.26 120.69 1k1c h ALA 73 Ca -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 73 Cb 0.30 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1k1c h ALA 73 CO 0.07 -1.13 -0.19 1.37 0.00 0.00 0.00 179.25 179.37 1k1c h LEU 74 N -0.81 -0.61 0.10 0.00 8.10 -1.28 -0.12 115.31 120.69 1k1c h LEU 74 Ca -0.03 0.12 -0.20 0.00 0.11 0.00 0.00 57.88 57.89 1k1c h LEU 74 Cb 0.77 0.31 0.02 0.00 -0.44 0.00 0.00 40.66 41.31 1k1c h LEU 74 CO -0.19 -0.23 -0.83 -0.33 -4.11 0.00 0.00 178.44 172.76 1k1c h GLU 75 N -0.18 0.39 -0.56 0.17 5.08 -1.57 -1.75 114.58 116.16 1k1c h GLU 75 Ca 0.14 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1k1c h GLU 75 Cb 0.39 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1k1c h GLU 75 CO -0.36 1.22 0.35 1.57 -1.00 0.00 0.00 179.01 180.79 1k1c h LYS 76 N -0.18 0.68 0.83 2.33 5.09 -0.74 0.62 116.57 125.20 1k1c h LYS 76 Ca -0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.53 1k1c h LYS 76 Cb 1.59 -0.15 0.01 0.00 0.10 0.00 0.00 32.23 33.77 1k1c h LYS 76 CO 0.16 0.45 -0.40 -0.07 -2.09 0.00 0.00 179.45 177.50 1k1c h LEU 77 N 0.70 -0.95 -0.81 7.07 -0.00 -1.10 0.12 115.31 120.34 1k1c h LEU 77 Ca 0.22 0.03 0.14 0.00 -0.00 0.00 0.00 57.88 58.27 1k1c h LEU 77 Cb -0.02 0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 40.79 1k1c h LEU 77 CO -0.08 -0.67 0.39 0.00 -0.00 0.00 0.00 178.44 178.08 1k1c h ALA 78 N -0.96 1.20 0.11 1.53 0.00 -1.06 0.73 119.26 120.81 1k1c h ALA 78 Ca -0.11 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1k1c h ALA 78 Cb 0.86 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1k1c h ALA 78 CO 0.19 -0.14 -0.35 0.00 0.00 0.00 0.00 179.25 178.95 1k1c h ALA 79 N 1.55 -0.60 -0.12 0.00 0.00 -0.70 -1.86 119.26 117.54 1k1c h ALA 79 Ca 0.44 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1k1c h ALA 79 Cb 0.64 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k1c h ALA 79 CO -0.38 -0.90 0.27 -0.92 0.00 0.00 0.00 179.25 177.33 1k1c h TYR 80 N -0.57 0.00 0.00 0.00 3.20 0.10 0.40 116.97 120.10 1k1c h TYR 80 Ca 0.03 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 1k1c h TYR 80 Cb 0.61 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1k1c h TYR 80 CO -0.31 0.00 -0.84 -0.39 -1.64 0.00 0.00 178.16 174.97 1k1c h VAL 81 N 0.00 1.05 0.00 1.81 -1.51 -0.08 -3.41 116.25 114.11 1k1c h VAL 81 Ca 0.06 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 1k1c h VAL 81 Cb 0.59 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1k1c h VAL 81 CO -0.00 0.60 -0.95 0.00 -1.23 0.00 0.00 177.57 175.98 1k1c n GLN 82 N -3.20 3.14 -0.20 5.19 10.64 -0.77 -0.20 117.38 131.99 1k1c n GLN 82 Ca -0.01 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.13 1k1c n GLN 82 Cb 0.83 -0.98 -0.01 0.00 -0.86 0.00 0.00 30.24 29.21 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 -2.02 -0.17 0.00 2.61 2.13 0.06 -4.54 120.64 118.71 1k1c n GLU 83 Ca 0.00 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1k1c n GLU 83 Cb 0.48 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.08 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 -4.67 0.00 0.00 5.31 0.00 -1.26 -5.11 120.64 114.91 1k1c n GLU 84 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1k1c n GLU 84 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.60 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68