#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 3.92 0.20 1.45 0.74 -1.26 -3.94 119.66 120.77 1k1c s GLN 3 Ca 0.00 -0.35 0.10 0.00 0.05 0.00 0.00 55.36 55.15 1k1c s GLN 3 Cb 0.00 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 1k1c s GLN 3 CO 0.00 0.03 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.93 1k1c s GLN 4 N 1.08 1.43 -0.15 1.67 -0.21 -0.21 -4.97 119.66 118.30 1k1c s GLN 4 Ca 0.06 -1.54 -0.06 0.00 0.02 0.00 0.00 55.36 53.83 1k1c s GLN 4 Cb -0.14 -1.51 0.07 0.00 1.00 0.00 0.00 33.01 32.42 1k1c s GLN 4 CO 0.04 0.30 0.33 -1.59 -2.12 0.00 0.00 175.29 172.25 1k1c s LYS 5 N -3.05 0.25 -0.20 2.91 0.00 -1.25 -0.45 119.74 117.95 1k1c s LYS 5 Ca 0.21 0.79 -0.03 0.00 0.00 0.00 0.00 55.97 56.93 1k1c s LYS 5 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.81 1k1c s LYS 5 CO 0.09 -0.23 -0.06 0.14 0.00 0.00 0.00 175.35 175.30 1k1c s VAL 6 N 2.03 3.32 0.72 1.79 -7.23 0.59 -4.75 120.40 116.86 1k1c s VAL 6 Ca -0.04 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1k1c s VAL 6 Cb -0.11 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1k1c s VAL 6 CO -0.10 0.44 1.07 -1.83 -0.31 0.00 0.00 175.10 174.37 1k1c s GLU 7 N 1.25 2.50 -0.09 4.82 -1.05 -1.26 -0.31 118.70 124.57 1k1c s GLU 7 Ca 0.03 0.16 -0.19 0.00 -0.15 0.00 0.00 54.97 54.82 1k1c s GLU 7 Cb -0.14 -2.07 0.04 0.00 -0.44 0.00 0.00 34.13 31.52 1k1c s GLU 7 CO -0.02 -1.17 0.45 0.14 0.95 0.00 0.00 175.26 175.60 1k1c s VAL 8 N -3.34 0.02 -0.21 1.83 -7.23 0.82 -4.84 120.40 107.46 1k1c s VAL 8 Ca 0.59 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 1k1c s VAL 8 Cb -0.11 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 1k1c s VAL 8 CO 0.49 -0.10 1.34 -0.60 -0.31 0.00 0.00 175.10 175.92 1k1c s ARG 9 N -0.66 4.06 -1.03 4.82 3.00 -1.26 0.35 118.95 128.24 1k1c s ARG 9 Ca -0.08 1.55 -0.24 0.00 -1.00 0.00 0.00 55.73 55.97 1k1c s ARG 9 Cb -0.03 -3.85 -0.06 0.00 0.00 0.00 0.00 34.95 31.00 1k1c s ARG 9 CO 0.04 -0.93 1.93 -1.17 0.00 0.00 0.00 175.30 175.16 1k1c s LEU 10 N 4.05 3.14 0.17 -0.88 2.96 0.56 -3.68 118.68 125.00 1k1c s LEU 10 Ca 0.58 -1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 1k1c s LEU 10 Cb -0.21 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 43.95 1k1c s LEU 10 CO 0.20 -2.82 1.54 0.50 -1.32 0.00 0.00 176.35 174.45 1k1c h LYS 11 N 10.53 0.89 -0.56 1.98 3.11 -1.38 0.26 116.57 131.42 1k1c h LYS 11 Ca 0.16 -0.42 0.09 0.00 -2.81 0.00 0.00 60.65 57.67 1k1c h LYS 11 Cb 0.98 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.12 1k1c h LYS 11 CO 1.23 1.07 0.17 1.15 -2.81 0.00 0.00 179.45 180.25 1k1c h THR 12 N 0.75 0.75 0.00 1.00 2.02 -1.30 -3.43 112.91 112.69 1k1c h THR 12 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1k1c h THR 12 Cb 0.87 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1k1c h THR 12 CO 0.08 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.64 1k1c n GLY 13 N -1.29 1.10 0.00 2.16 0.00 -0.86 -4.17 105.19 102.13 1k1c n GLY 13 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 0.99 4.32 -1.26 -0.07 117.00 120.98 1k1c n LEU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1k1c n LEU 14 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1k1c n LEU 14 CO 0.00 0.00 -0.41 0.00 -1.22 0.00 0.00 177.39 175.76 1k1c n GLN 15 N 0.00 0.00 0.00 3.23 6.02 -1.26 -4.19 117.38 121.18 1k1c n GLN 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1k1c n GLN 15 Cb 0.00 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 30.66 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 -2.68 1.29 0.01 -1.58 0.00 -1.26 -5.03 120.51 111.26 1k1c n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k1c n ALA 16 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.00 0.00 -0.30 0.00 3.00 -1.26 -4.67 116.66 112.43 1k1c n ARG 17 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.95 1k1c n ARG 17 Cb 0.00 -0.00 0.27 0.00 0.00 0.00 0.00 32.46 32.73 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 0.45 -0.78 5.56 0.13 -1.98 0.16 132.00 135.54 1k1c h PRO 18 Ca 0.00 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1k1c h PRO 18 Cb 0.00 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 30.98 1k1c h PRO 18 CO 0.00 0.30 0.50 0.00 -0.23 0.00 0.00 178.00 178.57 1k1c h ALA 19 N 1.65 1.01 -0.51 -0.56 0.00 -1.89 0.25 119.26 119.20 1k1c h ALA 19 Ca 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1k1c h ALA 19 Cb 0.91 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1k1c h ALA 19 CO -0.47 0.33 0.23 0.00 0.00 0.00 0.00 179.25 179.34 1k1c h ALA 20 N 1.31 0.66 -0.22 0.00 0.00 -1.03 0.99 119.26 120.97 1k1c h ALA 20 Ca 0.30 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1k1c h ALA 20 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1k1c h ALA 20 CO -0.10 0.25 -0.13 1.25 0.00 0.00 0.00 179.25 180.53 1k1c h LEU 21 N 0.68 -0.41 -0.05 0.00 6.46 -0.18 0.20 115.31 122.00 1k1c h LEU 21 Ca 0.17 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1k1c h LEU 21 Cb 0.16 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1k1c h LEU 21 CO -0.02 -0.16 -0.08 0.15 -0.62 0.00 0.00 178.44 177.71 1k1c h PHE 22 N -0.11 -0.25 -0.38 1.25 3.04 -0.04 0.51 116.94 120.96 1k1c h PHE 22 Ca 0.12 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1k1c h PHE 22 Cb 0.29 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 1k1c h PHE 22 CO -0.29 -0.07 0.26 0.28 -2.02 0.00 0.00 178.31 176.46 1k1c h VAL 23 N -0.06 1.09 0.56 1.41 2.07 -0.63 0.16 116.25 120.84 1k1c h VAL 23 Ca 0.01 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1k1c h VAL 23 Cb 0.09 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1k1c h VAL 23 CO -0.08 0.09 -0.29 -0.61 0.02 0.00 0.00 177.57 176.70 1k1c h GLN 24 N 0.50 -0.76 -0.04 1.57 -0.00 0.01 0.93 115.11 117.33 1k1c h GLN 24 Ca 0.14 0.05 -0.24 0.00 -0.00 0.00 0.00 58.65 58.61 1k1c h GLN 24 Cb -0.03 0.17 0.02 0.00 0.00 0.00 0.00 27.48 27.64 1k1c h GLN 24 CO -0.03 -0.50 -0.91 1.05 0.00 0.00 0.00 178.83 178.43 1k1c h GLU 25 N -0.78 0.69 -0.65 1.69 4.11 -0.47 0.24 114.58 119.41 1k1c h GLU 25 Ca -0.07 -0.69 0.12 0.00 0.07 0.00 0.00 59.36 58.79 1k1c h GLU 25 Cb 0.62 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 1k1c h GLU 25 CO 0.11 1.28 0.19 0.00 0.07 0.00 0.00 179.01 180.65 1k1c h ALA 26 N 0.43 0.83 -0.65 1.06 0.00 -0.74 0.12 119.26 120.31 1k1c h ALA 26 Ca -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1k1c h ALA 26 Cb 1.56 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1k1c h ALA 26 CO 0.18 -0.27 0.27 -0.91 0.00 0.00 0.00 179.25 178.52 1k1c h ASN 27 N 0.33 0.89 -0.64 0.00 2.35 -0.60 -2.81 115.58 115.09 1k1c h ASN 27 Ca 0.35 -0.17 0.12 0.00 -0.55 0.00 0.00 56.30 56.05 1k1c h ASN 27 Cb 0.51 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.56 1k1c h ASN 27 CO -0.40 0.82 0.15 0.03 -1.65 0.00 0.00 177.43 176.38 1k1c h ARG 28 N 0.92 0.27 -6.16 0.81 3.08 0.19 -3.33 114.38 110.16 1k1c h ARG 28 Ca 0.22 -0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.69 1k1c h ARG 28 Cb 0.20 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1k1c h ARG 28 CO -0.02 0.18 1.37 -0.06 -1.07 0.00 0.00 179.97 180.37 1k1c s PHE 29 N -6.09 1.23 -0.77 3.04 0.08 -0.07 -4.82 117.98 110.58 1k1c s PHE 29 Ca -0.13 0.09 0.23 0.00 0.12 0.00 0.00 56.93 57.24 1k1c s PHE 29 Cb 0.19 -4.07 0.89 0.00 -0.57 0.00 0.00 43.02 39.46 1k1c s PHE 29 CO 0.74 -4.73 1.69 -2.37 -0.10 0.00 0.00 175.22 170.46 1k1c n THR 30 N 6.76 0.68 -1.23 0.64 5.66 -1.25 -4.78 114.28 120.76 1k1c n THR 30 Ca 0.25 0.09 -0.37 0.00 -3.05 0.00 0.00 64.05 60.97 1k1c n THR 30 Cb 0.43 -0.88 0.05 0.00 -1.55 0.00 0.00 70.33 68.38 1k1c n THR 30 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1k1c n SER 31 N -1.90 -2.60 -4.55 1.09 7.64 -1.26 -4.75 113.62 107.28 1k1c n SER 31 Ca 0.04 0.56 -0.35 0.00 1.01 0.00 0.00 58.87 60.13 1k1c n SER 31 Cb 0.27 -1.04 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1k1c n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k1c s ASP 32 N -1.25 5.37 0.07 6.43 2.15 -1.11 -4.64 116.67 123.70 1k1c s ASP 32 Ca 0.60 -0.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.42 1k1c s ASP 32 Cb -0.37 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.66 1k1c s ASP 32 CO 0.64 -2.40 0.28 0.68 -0.17 0.00 0.00 175.17 174.20 1k1c s VAL 33 N 8.88 5.29 0.24 1.11 -7.23 -1.26 -0.02 120.40 127.41 1k1c s VAL 33 Ca 0.64 -0.10 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 1k1c s VAL 33 Cb -0.10 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1k1c s VAL 33 CO 0.12 0.17 0.41 -0.36 -0.31 0.00 0.00 175.10 175.13 1k1c s PHE 34 N -1.50 0.55 -0.03 2.82 0.08 0.61 -0.70 117.98 119.81 1k1c s PHE 34 Ca 0.35 -0.88 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 1k1c s PHE 34 Cb -0.13 0.03 0.03 0.00 -0.57 0.00 0.00 43.02 42.38 1k1c s PHE 34 CO 0.23 -0.93 0.04 -1.17 -0.10 0.00 0.00 175.22 173.29 1k1c s LEU 35 N -3.06 0.80 -0.50 -0.37 2.96 0.69 -0.05 118.68 119.16 1k1c s LEU 35 Ca 0.26 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1k1c s LEU 35 Cb 0.01 -0.11 0.13 0.00 0.50 0.00 0.00 46.19 46.72 1k1c s LEU 35 CO 0.10 -0.16 0.26 -1.61 -1.32 0.00 0.00 176.35 173.62 1k1c s GLU 36 N 1.40 2.02 -0.83 1.98 2.02 0.11 0.02 118.70 125.42 1k1c s GLU 36 Ca -0.05 -2.43 -0.23 0.00 0.02 0.00 0.00 54.97 52.28 1k1c s GLU 36 Cb -0.13 -3.40 -0.17 0.00 0.10 0.00 0.00 34.13 30.53 1k1c s GLU 36 CO -0.03 -1.09 2.34 1.63 0.02 0.00 0.00 175.26 178.13 1k1c n LYS 37 N 3.47 0.44 -2.98 1.61 5.02 0.42 -0.29 118.16 125.85 1k1c n LYS 37 Ca 0.05 -0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 55.38 1k1c n LYS 37 Cb 0.36 -3.28 -0.00 0.00 -0.02 0.00 0.00 35.03 32.08 1k1c n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k1c n ASP 38 N 16.72 -3.92 0.00 4.39 8.00 0.70 -0.74 116.55 141.69 1k1c n ASP 38 Ca 0.49 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1k1c n ASP 38 Cb 0.39 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 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 -1.05 1.41 2.98 0.44 0.00 -0.48 -5.02 105.19 103.46 1k1c n GLY 39 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.00 2.55 -2.82 1.61 4.76 0.09 -4.84 118.16 119.51 1k1c n LYS 40 Ca 0.00 -2.53 -0.40 0.00 -2.87 0.00 0.00 58.31 52.51 1k1c n LYS 40 Cb 0.00 -3.26 -0.06 0.00 -1.84 0.00 0.00 35.03 29.87 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 3.91 4.76 0.13 1.97 2.20 -1.23 -0.44 119.74 131.04 1k1c s LYS 41 Ca 0.51 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.40 1k1c s LYS 41 Cb 0.12 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1k1c s LYS 41 CO -0.01 0.52 0.29 0.54 -0.36 0.00 0.00 175.35 176.33 1k1c s VAL 42 N -1.21 0.09 -0.42 4.02 0.11 0.10 -4.88 120.40 118.22 1k1c s VAL 42 Ca 0.40 -1.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.07 1k1c s VAL 42 Cb -0.25 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1k1c s VAL 42 CO 0.30 -0.41 2.15 0.21 -3.33 0.00 0.00 175.10 174.02 1k1c s ASN 43 N -2.89 5.10 0.49 3.54 3.04 -1.26 -0.22 114.94 122.74 1k1c s ASN 43 Ca 0.09 1.19 0.29 0.00 0.04 0.00 0.00 52.86 54.47 1k1c s ASN 43 Cb 0.03 -2.51 1.38 0.00 -1.54 0.00 0.00 41.25 38.61 1k1c s ASN 43 CO -0.06 -2.36 1.82 0.00 -3.04 0.00 0.00 177.10 173.46 1k1c h ALA 44 N 16.44 2.73 -0.00 1.71 0.00 -1.13 0.26 119.26 139.27 1k1c h ALA 44 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1k1c h ALA 44 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1k1c h ALA 44 CO 1.10 -1.06 -0.56 0.36 0.00 0.00 0.00 179.25 179.09 1k1c n LYS 45 N -4.35 0.11 -3.44 0.00 2.85 -1.26 -4.26 118.16 107.81 1k1c n LYS 45 Ca 0.23 -0.07 -0.32 0.00 -1.05 0.00 0.00 58.31 57.10 1k1c n LYS 45 Cb 1.02 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.85 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 -2.94 6.59 0.14 -5.58 0.01 0.08 -4.88 113.70 107.13 1k1c s SER 46 Ca 0.12 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 57.99 1k1c s SER 46 Cb 0.17 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1k1c s SER 46 CO 0.71 -0.07 1.30 0.00 0.41 0.00 0.00 173.24 175.60 1k1c n ILE 47 N -0.17 -0.57 0.24 1.44 0.00 -1.26 0.10 119.36 119.14 1k1c n ILE 47 Ca -0.00 2.04 0.09 0.00 0.00 0.00 0.00 62.75 64.88 1k1c n ILE 47 Cb 0.52 -2.54 0.59 0.00 0.00 0.00 0.00 39.64 38.21 1k1c n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k1c h MET 48 N 0.00 0.00 0.00 9.51 -0.00 -1.94 0.41 114.93 122.91 1k1c h MET 48 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.85 1k1c h MET 48 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1k1c h MET 48 CO -0.80 0.20 -0.00 0.78 -0.00 0.00 0.00 176.91 177.09 1k1c h GLY 49 N 1.00 -0.00 0.00 -3.00 0.00 -0.44 0.45 103.07 101.08 1k1c h GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k1c h GLY 49 CO 0.03 -0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.46 1k1c n LEU 50 N -4.90 0.07 0.03 3.11 0.00 -0.04 -0.37 117.00 114.91 1k1c n LEU 50 Ca -0.08 0.76 -0.13 0.00 0.00 0.00 0.00 56.01 56.56 1k1c n LEU 50 Cb 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 43.42 43.14 1k1c n LEU 50 CO 0.33 -0.47 0.30 -0.03 0.00 0.00 0.00 177.39 177.52 1k1c h MET 51 N 0.00 0.53 0.00 1.96 4.05 -0.36 0.16 114.93 121.27 1k1c h MET 51 Ca 0.00 -0.45 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1k1c h MET 51 Cb 0.00 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1k1c h MET 51 CO 0.00 1.08 -0.01 0.77 0.23 0.00 0.00 176.91 178.98 1k1c h SER 52 N 0.35 0.00 0.00 1.39 0.02 -1.21 -3.38 113.55 110.71 1k1c h SER 52 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1k1c h SER 52 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1k1c h SER 52 CO 0.14 0.16 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.89 1k1c h LEU 53 N -0.32 0.00 -0.88 5.07 4.07 -1.02 -3.39 115.31 118.85 1k1c h LEU 53 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 1k1c h LEU 53 Cb 0.01 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.59 1k1c h LEU 53 CO 0.00 0.24 -0.29 0.00 -1.08 0.00 0.00 178.44 177.31 1k1c n ALA 54 N -2.43 0.02 -0.31 1.53 0.00 0.50 -2.50 120.51 117.32 1k1c n ALA 54 Ca -0.01 0.91 0.25 0.00 0.00 0.00 0.00 53.44 54.59 1k1c n ALA 54 Cb 0.02 -0.47 0.40 0.00 0.00 0.00 0.00 19.45 19.40 1k1c n ALA 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1k1c n VAL 55 N -5.35 -0.08 -0.92 0.00 3.14 0.90 -4.12 118.33 111.90 1k1c n VAL 55 Ca 0.11 0.90 -0.34 0.00 -2.96 0.00 0.00 64.34 62.05 1k1c n VAL 55 Cb 0.39 -1.48 -0.12 0.00 -1.06 0.00 0.00 33.84 31.57 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 -3.44 1.19 -4.72 6.55 7.64 -1.04 -4.11 113.62 115.69 1k1c n SER 56 Ca 0.23 -2.51 -0.63 0.00 1.01 0.00 0.00 58.87 56.97 1k1c n SER 56 Cb 0.95 -0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 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 7.71 0.12 0.00 0.44 -1.04 -1.24 -1.53 114.28 118.74 1k1c n THR 57 Ca 0.45 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1k1c n THR 57 Cb 0.44 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 3.96 1.23 3.74 3.41 0.00 0.88 -4.93 105.19 113.48 1k1c n GLY 58 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 3.50 -1.30 2.61 2.01 -0.58 -4.49 115.64 115.19 1k1c s THR 59 Ca 0.00 1.29 -0.18 0.00 0.31 0.00 0.00 61.69 63.11 1k1c s THR 59 Cb 0.00 -3.82 0.07 0.00 0.01 0.00 0.00 72.50 68.76 1k1c s THR 59 CO 0.00 0.22 1.75 -0.62 -0.69 0.00 0.00 174.62 175.28 1k1c n GLU 60 N 2.34 3.19 -3.29 4.92 1.02 -1.25 -0.32 120.64 127.24 1k1c n GLU 60 Ca 0.04 -3.27 -0.38 0.00 -0.02 0.00 0.00 57.16 53.53 1k1c n GLU 60 Cb 0.44 -3.47 -0.06 0.00 -0.02 0.00 0.00 31.44 28.34 1k1c n GLU 60 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1k1c s VAL 61 N 4.05 5.17 -0.19 2.62 -7.23 0.16 -0.22 120.40 124.75 1k1c s VAL 61 Ca 0.53 0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 61.44 1k1c s VAL 61 Cb 0.04 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 1k1c s VAL 61 CO 0.07 0.30 0.72 -0.89 -0.31 0.00 0.00 175.10 174.98 1k1c s THR 62 N 0.80 4.95 -0.32 5.32 2.01 0.61 -0.13 115.64 128.88 1k1c s THR 62 Ca 0.26 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.44 1k1c s THR 62 Cb -0.15 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1k1c s THR 62 CO 0.10 0.06 0.57 -0.22 -0.69 0.00 0.00 174.62 174.44 1k1c s LEU 63 N 2.09 4.21 0.15 4.42 0.20 0.58 0.06 118.68 130.39 1k1c s LEU 63 Ca 0.33 0.25 0.03 0.00 0.69 0.00 0.00 54.13 55.42 1k1c s LEU 63 Cb -0.16 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 1k1c s LEU 63 CO 0.11 -0.46 0.26 -0.63 -0.29 0.00 0.00 176.35 175.34 1k1c s ILE 64 N 2.49 5.18 -0.13 6.68 1.01 0.93 -0.30 121.20 137.06 1k1c s ILE 64 Ca 0.22 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1k1c s ILE 64 Cb -0.15 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1k1c s ILE 64 CO 0.12 -0.10 0.34 0.00 0.00 0.00 0.00 174.94 175.31 1k1c s ALA 65 N -1.74 -0.84 -0.39 9.38 0.00 0.41 -0.28 121.76 128.28 1k1c s ALA 65 Ca 0.34 1.14 0.11 0.00 0.00 0.00 0.00 51.96 53.54 1k1c s ALA 65 Cb -0.11 -0.69 0.36 0.00 0.00 0.00 0.00 23.12 22.68 1k1c s ALA 65 CO 0.28 -0.20 0.91 0.94 0.00 0.00 0.00 175.76 177.69 1k1c n GLN 66 N 3.61 1.02 -0.30 0.00 0.00 0.97 -1.05 117.38 121.63 1k1c n GLN 66 Ca -0.19 -2.83 0.00 0.00 -0.00 0.00 0.00 57.00 53.98 1k1c n GLN 66 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.45 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 0.21 4.34 0.35 1.69 0.00 -1.26 -2.73 105.19 107.79 1k1c n GLY 67 Ca 0.16 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.98 1k1c n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1k1c n GLU 68 N 0.00 -0.09 -0.93 1.61 0.28 -1.26 -0.75 120.64 119.51 1k1c n GLU 68 Ca 0.00 1.50 -0.06 0.00 -0.16 0.00 0.00 57.16 58.44 1k1c n GLU 68 Cb 0.00 -2.25 0.18 0.00 1.43 0.00 0.00 31.44 30.80 1k1c n GLU 68 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1k1c n ASP 69 N -5.55 2.78 -0.24 -1.84 5.68 -1.26 -4.91 116.55 111.21 1k1c n ASP 69 Ca 0.16 -3.82 -0.06 0.00 -0.50 0.00 0.00 54.79 50.58 1k1c n ASP 69 Cb 0.52 -0.60 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 1k1c n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1k1c n GLU 70 N -1.08 -0.25 -0.29 0.11 -0.00 0.07 0.11 120.64 119.32 1k1c n GLU 70 Ca 0.33 1.10 -0.10 0.00 -0.00 0.00 0.00 57.16 58.49 1k1c n GLU 70 Cb 0.96 -1.63 -0.09 0.00 -0.00 0.00 0.00 31.44 30.68 1k1c n GLU 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1k1c h GLN 71 N 0.00 -0.11 -0.76 3.44 -0.00 -1.86 0.14 115.11 115.97 1k1c h GLN 71 Ca 0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1k1c h GLN 71 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.70 1k1c h GLN 71 CO -0.53 -0.07 0.28 1.49 0.00 0.00 0.00 178.83 180.00 1k1c h GLU 72 N -0.11 1.15 0.49 1.69 4.81 -1.12 -0.64 114.58 120.85 1k1c h GLU 72 Ca 0.11 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1k1c h GLU 72 Cb 0.41 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1k1c h GLU 72 CO -0.72 0.95 -0.31 0.00 -0.73 0.00 0.00 179.01 178.19 1k1c h ALA 73 N 1.19 -0.77 -0.68 2.92 0.00 0.12 0.87 119.26 122.90 1k1c h ALA 73 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k1c h ALA 73 Cb 0.25 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1k1c h ALA 73 CO -0.02 -0.95 0.37 1.37 0.00 0.00 0.00 179.25 180.03 1k1c h LEU 74 N -0.77 0.85 0.53 0.00 8.10 -0.72 -2.88 115.31 120.43 1k1c h LEU 74 Ca -0.06 -0.10 -0.02 0.00 0.11 0.00 0.00 57.88 57.82 1k1c h LEU 74 Cb 0.63 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1k1c h LEU 74 CO 0.05 0.70 -0.44 -0.33 -4.11 0.00 0.00 178.44 174.31 1k1c h GLU 75 N 0.94 -0.91 -0.07 0.17 4.39 -0.76 -0.03 114.58 118.31 1k1c h GLU 75 Ca 0.24 0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.03 1k1c h GLU 75 Cb 0.04 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1k1c h GLU 75 CO -0.04 -0.61 -0.12 0.87 -1.16 0.00 0.00 179.01 177.96 1k1c h LYS 76 N -0.94 -0.16 0.87 2.33 1.57 -0.83 0.23 116.57 119.63 1k1c h LYS 76 Ca -0.07 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1k1c h LYS 76 Cb 0.80 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1k1c h LYS 76 CO -0.01 -0.11 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.28 1k1c h LEU 77 N -0.17 -0.99 -1.91 2.94 -0.00 -1.54 -0.13 115.31 113.51 1k1c h LEU 77 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1k1c h LEU 77 Cb 0.26 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1k1c h LEU 77 CO -0.17 -0.69 0.05 0.00 -0.00 0.00 0.00 178.44 177.63 1k1c h ALA 78 N -1.08 1.94 0.37 1.53 0.00 -0.89 0.88 119.26 122.01 1k1c h ALA 78 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1k1c h ALA 78 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1k1c h ALA 78 CO 0.20 0.06 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 1k1c h ALA 79 N 1.95 -0.50 0.63 0.00 0.00 -0.31 -3.30 119.26 117.72 1k1c h ALA 79 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1k1c h ALA 79 Cb -0.00 0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1k1c h ALA 79 CO -0.01 -0.77 -0.30 -0.92 0.00 0.00 0.00 179.25 177.26 1k1c h TYR 80 N -0.52 -0.78 -1.21 0.00 3.20 0.39 -3.09 116.97 114.95 1k1c h TYR 80 Ca -0.05 -0.02 0.44 0.00 3.14 0.00 0.00 58.73 62.24 1k1c h TYR 80 Cb 0.40 0.26 -0.15 0.00 1.54 0.00 0.00 36.73 38.77 1k1c h TYR 80 CO -0.04 -0.44 0.73 -0.39 -1.64 0.00 0.00 178.16 176.38 1k1c h VAL 81 N -1.09 0.04 -0.12 1.81 -1.51 -1.00 0.14 116.25 114.52 1k1c h VAL 81 Ca -0.09 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1k1c h VAL 81 Cb 0.69 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1k1c h VAL 81 CO 0.14 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 1k1c n GLN 82 N -4.94 1.28 -0.04 5.19 10.64 -1.24 -0.91 117.38 127.36 1k1c n GLN 82 Ca 0.38 -1.40 -0.01 0.00 -1.83 0.00 0.00 57.00 54.15 1k1c n GLN 82 Cb 1.41 -1.20 -0.00 0.00 -0.86 0.00 0.00 30.24 29.58 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 1.80 0.00 0.00 2.61 4.81 -0.87 -3.44 114.58 119.49 1k1c h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k1c h GLU 83 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1k1c h GLU 83 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.43 1k1c n GLU 84 N -3.84 0.19 0.00 1.92 0.00 -1.26 -5.12 120.64 112.54 1k1c n GLU 84 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1k1c n GLU 84 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.48 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68