#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkm s GLN 3 N 0.00 1.71 -0.22 0.00 -2.07 -1.26 -0.61 119.66 117.21 1kkm s GLN 3 Ca 0.00 -1.68 -0.16 0.00 -1.82 0.00 0.00 55.36 51.70 1kkm s GLN 3 Cb 0.00 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.39 1kkm s GLN 3 CO 0.00 -0.68 0.56 0.15 -1.32 0.00 0.00 175.29 174.00 1kkm s LYS 4 N -3.46 0.61 0.23 9.60 -0.14 0.12 -4.97 119.74 121.72 1kkm s LYS 4 Ca 0.32 0.92 0.02 0.00 -1.36 0.00 0.00 55.97 55.87 1kkm s LYS 4 Cb 0.01 0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 36.31 1kkm s LYS 4 CO 0.18 -0.12 0.38 0.99 -0.76 0.00 0.00 175.35 176.02 1kkm s THR 5 N 0.98 5.23 0.23 2.17 2.01 -1.26 -0.94 115.64 124.06 1kkm s THR 5 Ca -0.05 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1kkm s THR 5 Cb -0.05 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1kkm s THR 5 CO -0.09 -0.27 0.39 -0.36 -0.69 0.00 0.00 174.62 173.60 1kkm s PHE 6 N -1.95 0.52 -0.19 4.92 0.08 -0.17 -4.95 117.98 116.24 1kkm s PHE 6 Ca 0.36 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1kkm s PHE 6 Cb -0.10 0.01 0.05 0.00 -0.57 0.00 0.00 43.02 42.41 1kkm s PHE 6 CO 0.30 -0.89 -0.06 -1.59 -0.10 0.00 0.00 175.22 172.88 1kkm s LYS 7 N -4.04 1.59 0.23 0.44 -2.85 0.13 -1.89 119.74 113.36 1kkm s LYS 7 Ca 0.25 -0.72 -0.31 0.00 -1.00 0.00 0.00 55.97 54.20 1kkm s LYS 7 Cb 0.01 -2.27 -0.11 0.00 -2.06 0.00 0.00 37.83 33.41 1kkm s LYS 7 CO 0.08 -0.49 1.56 0.08 0.10 0.00 0.00 175.35 176.69 1kkm s VAL 8 N 1.53 2.39 -0.15 1.79 1.01 0.19 -2.57 120.40 124.57 1kkm s VAL 8 Ca -0.02 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1kkm s VAL 8 Cb -0.17 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1kkm s VAL 8 CO -0.07 0.04 0.17 0.35 0.00 0.00 0.00 175.10 175.58 1kkm n THR 9 N 2.99 0.00 -1.59 3.92 -2.24 0.36 -0.47 114.28 117.25 1kkm n THR 9 Ca 0.10 -0.31 -0.60 0.00 -2.27 0.00 0.00 64.05 60.98 1kkm n THR 9 Cb 0.38 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 1kkm n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkm n ALA 10 N -1.26 -0.20 0.31 6.98 0.00 -0.93 -4.76 120.51 120.65 1kkm n ALA 10 Ca 0.00 0.31 0.21 0.00 0.00 0.00 0.00 53.44 53.96 1kkm n ALA 10 Cb 0.08 -2.17 1.10 0.00 0.00 0.00 0.00 19.45 18.47 1kkm n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kkm h ASP 11 N 7.83 0.00 -0.26 0.00 1.82 -1.93 -0.66 116.42 123.22 1kkm h ASP 11 Ca -0.35 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.09 1kkm h ASP 11 Cb 1.35 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.18 1kkm h ASP 11 CO 1.00 0.00 -0.67 -1.20 -1.61 0.00 0.00 179.24 176.76 1kkm n SER 12 N -2.95 2.68 -0.17 2.28 7.64 -1.26 -4.82 113.62 117.02 1kkm n SER 12 Ca -0.03 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.23 1kkm n SER 12 Cb 0.08 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1kkm n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkm n GLY 13 N -0.84 0.35 3.24 0.23 0.00 -0.26 -4.17 105.19 103.75 1kkm n GLY 13 Ca 0.26 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1kkm n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkm s ILE 14 N 0.00 5.14 0.00 -0.61 -1.09 0.14 -4.81 121.20 119.97 1kkm s ILE 14 Ca 0.00 -3.16 0.00 0.00 -2.23 0.00 0.00 60.65 55.26 1kkm s ILE 14 Cb 0.00 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1kkm s ILE 14 CO 0.00 -1.07 0.00 0.00 -1.23 0.00 0.00 174.94 172.64 1kkm n HIS 15 N 3.13 0.00 -0.03 3.97 1.44 -1.26 -4.62 115.22 117.86 1kkm n HIS 15 Ca 0.18 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.77 1kkm n HIS 15 Cb 0.41 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.44 1kkm n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkm h ALA 16 N -1.49 -0.77 0.07 1.59 0.00 -1.96 0.19 119.26 116.89 1kkm h ALA 16 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kkm h ALA 16 Cb 0.00 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1kkm h ALA 16 CO 0.00 -0.93 -0.12 0.07 0.00 0.00 0.00 179.25 178.27 1kkm h ARG 17 N -0.42 -0.19 0.00 0.00 -0.00 -1.99 -0.20 114.38 111.58 1kkm h ARG 17 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.02 1kkm h ARG 17 Cb 0.51 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 1kkm h ARG 17 CO -0.36 -0.13 0.19 -1.00 -0.00 0.00 0.00 179.97 178.67 1kkm h PRO 18 N -0.20 0.00 0.00 0.08 0.13 -1.92 -2.15 132.00 127.95 1kkm h PRO 18 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1kkm h PRO 18 Cb 0.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1kkm h PRO 18 CO -0.04 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.72 1kkm h ALA 19 N 1.56 0.00 -0.36 -0.56 0.00 -0.10 -3.08 119.26 116.72 1kkm h ALA 19 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1kkm h ALA 19 Cb 0.37 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1kkm h ALA 19 CO 0.00 0.01 -0.10 1.79 0.00 0.00 0.00 179.25 180.95 1kkm h THR 20 N -1.00 0.61 -0.32 0.00 1.35 -0.41 -0.79 112.91 112.34 1kkm h THR 20 Ca -0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.92 1kkm h THR 20 Cb 0.55 0.61 -0.06 0.00 -1.73 0.00 0.00 68.15 67.52 1kkm h THR 20 CO -0.00 0.00 -0.09 0.58 -0.25 0.00 0.00 175.52 175.76 1kkm h VAL 21 N -0.02 0.66 -0.05 6.82 2.07 -1.64 0.32 116.25 124.42 1kkm h VAL 21 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1kkm h VAL 21 Cb 0.29 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1kkm h VAL 21 CO -0.38 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 176.98 1kkm h LEU 22 N -0.01 -0.46 -1.40 2.57 3.38 -1.21 -1.43 115.31 116.74 1kkm h LEU 22 Ca 0.16 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1kkm h LEU 22 Cb 0.25 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1kkm h LEU 22 CO -0.34 -0.21 -0.17 -0.37 0.09 0.00 0.00 178.44 177.44 1kkm h VAL 23 N -0.23 0.49 -0.02 1.22 -1.51 -0.68 -1.92 116.25 113.61 1kkm h VAL 23 Ca 0.07 -0.89 -0.16 0.00 -1.23 0.00 0.00 66.70 64.50 1kkm h VAL 23 Cb 0.32 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1kkm h VAL 23 CO -0.19 0.17 -0.70 -0.61 -1.23 0.00 0.00 177.57 175.01 1kkm h GLN 24 N 0.00 0.10 -0.03 5.19 4.15 0.17 -1.16 115.11 123.54 1kkm h GLN 24 Ca -0.00 -0.09 -0.24 0.00 0.77 0.00 0.00 58.65 59.09 1kkm h GLN 24 Cb 0.60 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1kkm h GLN 24 CO 0.02 0.76 -0.96 1.15 -1.93 0.00 0.00 178.83 177.88 1kkm h THR 25 N 0.07 1.32 -0.01 2.39 2.02 -0.67 -3.15 112.91 114.88 1kkm h THR 25 Ca -0.01 -2.26 -0.11 0.00 0.77 0.00 0.00 66.41 64.79 1kkm h THR 25 Cb 1.25 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 1kkm h THR 25 CO 0.10 0.69 -0.54 0.00 0.37 0.00 0.00 175.52 176.14 1kkm h ALA 26 N 0.55 1.10 0.00 6.16 0.00 -1.30 -3.11 119.26 122.66 1kkm h ALA 26 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1kkm h ALA 26 Cb 1.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1kkm h ALA 26 CO 0.18 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.54 1kkm n SER 27 N -3.90 0.46 -0.44 0.00 7.64 -0.44 -2.67 113.62 114.27 1kkm n SER 27 Ca -0.01 -1.70 0.05 0.00 1.01 0.00 0.00 58.87 58.21 1kkm n SER 27 Cb 0.55 -0.23 0.08 0.00 -1.01 0.00 0.00 64.21 63.60 1kkm n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1kkm n LYS 28 N -0.19 1.54 -4.29 1.43 5.02 -1.18 -4.99 118.16 115.51 1kkm n LYS 28 Ca 0.00 -1.48 -0.24 0.00 -2.02 0.00 0.00 58.31 54.57 1kkm n LYS 28 Cb 0.12 -1.19 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 1kkm n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kkm s TYR 29 N -0.87 1.79 -0.02 2.13 2.02 -1.09 -5.03 117.35 116.28 1kkm s TYR 29 Ca 0.15 -0.43 0.11 0.00 -0.37 0.00 0.00 57.07 56.53 1kkm s TYR 29 Cb 0.09 -0.97 -0.08 0.00 -0.40 0.00 0.00 41.96 40.60 1kkm s TYR 29 CO 0.12 0.22 1.34 -0.44 -1.57 0.00 0.00 175.55 175.23 1kkm h ASP 30 N 3.95 0.00 -4.20 2.29 3.45 -1.94 -3.46 116.42 116.50 1kkm h ASP 30 Ca -0.46 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.48 1kkm h ASP 30 Cb 1.18 0.00 0.20 0.00 -0.56 0.00 0.00 39.33 40.15 1kkm h ASP 30 CO 0.41 0.76 0.16 0.00 -1.57 0.00 0.00 179.24 179.00 1kkm n ALA 31 N -2.29 -0.93 -2.68 3.45 0.00 -1.26 -4.97 120.51 111.82 1kkm n ALA 31 Ca 0.01 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 1kkm n ALA 31 Cb 0.84 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 1kkm n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kkm s ASP 32 N -2.58 6.64 -0.10 0.00 -0.00 -0.68 -4.83 116.67 115.12 1kkm s ASP 32 Ca 0.66 0.77 0.00 0.00 -0.00 0.00 0.00 52.55 53.99 1kkm s ASP 32 Cb -0.23 -2.31 0.02 0.00 -0.00 0.00 0.00 42.92 40.40 1kkm s ASP 32 CO 0.59 -0.15 -0.10 0.54 -0.00 0.00 0.00 175.17 176.05 1kkm s VAL 33 N 1.38 1.13 0.45 -1.27 0.11 -1.26 -0.53 120.40 120.42 1kkm s VAL 33 Ca 0.26 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1kkm s VAL 33 Cb -0.16 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 1kkm s VAL 33 CO 0.10 0.38 0.31 0.20 -3.33 0.00 0.00 175.10 172.76 1kkm s ASN 34 N 1.37 4.70 -0.05 3.54 -0.87 -0.19 0.15 114.94 123.59 1kkm s ASN 34 Ca -0.01 -1.02 -0.01 0.00 -1.57 0.00 0.00 52.86 50.26 1kkm s ASN 34 Cb -0.14 -0.24 0.03 0.00 -0.02 0.00 0.00 41.25 40.89 1kkm s ASN 34 CO -0.05 -0.75 0.02 -0.22 -2.57 0.00 0.00 177.10 173.53 1kkm s LEU 35 N -4.10 0.64 -0.11 0.60 0.20 -0.20 -2.19 118.68 113.53 1kkm s LEU 35 Ca 0.41 -0.01 -0.02 0.00 0.69 0.00 0.00 54.13 55.20 1kkm s LEU 35 Cb -0.00 -0.26 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 1kkm s LEU 35 CO 0.24 -0.18 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.39 1kkm s GLU 36 N 1.70 3.20 -0.15 1.98 -6.30 0.57 -1.10 118.70 118.61 1kkm s GLU 36 Ca -0.00 -0.48 -0.06 0.00 -2.50 0.00 0.00 54.97 51.92 1kkm s GLU 36 Cb -0.13 -2.80 0.06 0.00 0.00 0.00 0.00 34.13 31.27 1kkm s GLU 36 CO -0.03 0.52 0.33 -0.47 0.02 0.00 0.00 175.26 175.62 1kkm s TYR 37 N -0.38 -0.53 -1.26 5.30 5.04 -0.34 -1.28 117.35 123.91 1kkm s TYR 37 Ca 0.07 1.13 -0.10 0.00 -2.44 0.00 0.00 57.07 55.72 1kkm s TYR 37 Cb -0.12 0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.40 1kkm s TYR 37 CO 0.02 -0.35 0.47 0.09 -1.34 0.00 0.00 175.55 174.44 1kkm n ASN 38 N 4.84 -3.34 0.00 4.32 3.02 -1.26 -2.10 115.26 120.74 1kkm n ASN 38 Ca -0.15 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1kkm n ASN 38 Cb 0.52 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 1kkm n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkm n GLY 39 N -1.12 2.97 3.77 7.41 0.00 -1.26 -5.04 105.19 111.91 1kkm n GLY 39 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1kkm n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kkm s LYS 40 N 0.00 4.37 -0.04 1.61 0.00 -0.89 -5.04 119.74 119.74 1kkm s LYS 40 Ca 0.00 1.93 0.06 0.00 0.00 0.00 0.00 55.97 57.97 1kkm s LYS 40 Cb 0.00 -2.98 -0.01 0.00 0.00 0.00 0.00 37.83 34.84 1kkm s LYS 40 CO 0.00 -0.08 -0.23 0.99 0.00 0.00 0.00 175.35 176.03 1kkm s THR 41 N -1.24 1.87 0.20 3.79 2.01 -1.26 -1.20 115.64 119.82 1kkm s THR 41 Ca 0.50 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1kkm s THR 41 Cb -0.34 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1kkm s THR 41 CO 0.44 0.53 -0.07 0.68 -0.69 0.00 0.00 174.62 175.50 1kkm s VAL 42 N -0.26 1.31 -0.08 3.82 -7.23 -0.26 -4.95 120.40 112.75 1kkm s VAL 42 Ca 0.01 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 1kkm s VAL 42 Cb -0.12 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1kkm s VAL 42 CO 0.02 -0.52 1.29 0.21 -0.31 0.00 0.00 175.10 175.79 1kkm s ASN 43 N -3.28 6.95 0.19 4.85 3.84 -1.26 -1.03 114.94 125.19 1kkm s ASN 43 Ca 0.23 1.86 0.25 0.00 0.21 0.00 0.00 52.86 55.41 1kkm s ASN 43 Cb 0.03 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 39.08 1kkm s ASN 43 CO 0.06 -0.69 1.75 -0.11 -2.79 0.00 0.00 177.10 175.31 1kkm n LEU 44 N 5.85 0.61 -0.91 3.21 0.00 0.12 -4.51 117.00 121.36 1kkm n LEU 44 Ca 0.13 0.59 -0.01 0.00 0.00 0.00 0.00 56.01 56.72 1kkm n LEU 44 Cb 0.45 -0.44 0.04 0.00 0.00 0.00 0.00 43.42 43.46 1kkm n LEU 44 CO 0.57 -0.30 0.46 0.29 0.00 0.00 0.00 177.39 178.41 1kkm n LYS 45 N -2.11 1.31 0.11 1.96 5.02 -1.26 -4.13 118.16 119.06 1kkm n LYS 45 Ca 0.04 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 1kkm n LYS 45 Cb 0.33 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1kkm n LYS 45 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1kkm n ILE 47 N 0.19 0.00 -0.52 -0.18 0.13 -1.26 -4.88 119.36 112.84 1kkm n ILE 47 Ca 0.05 0.00 0.40 0.00 -1.10 0.00 0.00 62.75 62.10 1kkm n ILE 47 Cb 0.51 0.00 0.62 0.00 -0.84 0.00 0.00 39.64 39.93 1kkm n ILE 47 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 1kkm n MET 48 N -2.97 -0.01 0.13 9.51 2.81 -1.26 -1.47 117.12 123.87 1kkm n MET 48 Ca 0.00 0.87 -0.13 0.00 -1.81 0.00 0.00 57.70 56.63 1kkm n MET 48 Cb 0.00 -1.95 -0.06 0.00 -0.71 0.00 0.00 33.22 30.50 1kkm n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1kkm h GLY 49 N 0.00 -0.60 0.09 3.03 0.00 -2.00 -1.29 103.07 102.30 1kkm h GLY 49 Ca 0.73 0.36 -0.00 0.00 0.00 0.00 0.00 47.33 48.42 1kkm h GLY 49 CO -0.07 -0.25 -0.10 -2.08 0.00 0.00 0.00 176.54 174.04 1kkm h VAL 50 N -0.55 0.00 -1.07 4.60 2.07 -1.50 -2.89 116.25 116.91 1kkm h VAL 50 Ca 0.02 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.86 1kkm h VAL 50 Cb 0.56 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 1kkm h VAL 50 CO -0.16 0.00 0.65 0.24 0.02 0.00 0.00 177.57 178.32 1kkm h MET 51 N -0.19 0.32 -0.05 1.57 2.86 -1.60 0.20 114.93 118.04 1kkm h MET 51 Ca -0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1kkm h MET 51 Cb 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1kkm h MET 51 CO -0.02 0.21 0.24 0.66 1.06 0.00 0.00 176.91 179.06 1kkm h SER 52 N 0.33 0.00 0.69 1.22 4.64 -1.01 -0.83 113.55 118.60 1kkm h SER 52 Ca 0.70 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.90 1kkm h SER 52 Cb 1.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 1kkm h SER 52 CO -0.48 0.00 -0.57 -0.07 -0.87 0.00 0.00 176.83 174.84 1kkm h LEU 53 N 0.00 0.00 1.44 5.97 3.38 -0.65 -3.47 115.31 121.97 1kkm h LEU 53 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 1kkm h LEU 53 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1kkm h LEU 53 CO -0.00 0.57 -0.39 0.61 0.09 0.00 0.00 178.44 179.32 1kkm n GLY 54 N 0.29 -0.20 3.50 0.83 0.00 -0.32 -4.89 105.19 104.41 1kkm n GLY 54 Ca -0.01 -0.22 -0.49 0.00 0.00 0.00 0.00 46.02 45.30 1kkm n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kkm n ILE 55 N -4.06 0.25 -3.28 -0.61 5.41 -1.26 -4.89 119.36 110.91 1kkm n ILE 55 Ca -0.13 -0.30 -0.20 0.00 1.00 0.00 0.00 62.75 63.11 1kkm n ILE 55 Cb 0.61 -1.90 0.02 0.00 -0.71 0.00 0.00 39.64 37.66 1kkm n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kkm s ALA 56 N 7.34 4.49 0.26 -1.39 0.00 -1.26 0.23 121.76 131.42 1kkm s ALA 56 Ca 1.06 -1.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1kkm s ALA 56 Cb -0.71 -1.28 -0.12 0.00 0.00 0.00 0.00 23.12 21.00 1kkm s ALA 56 CO 0.46 -0.51 1.58 1.17 0.00 0.00 0.00 175.76 178.45 1kkm n LYS 57 N -1.92 2.52 -0.65 0.00 4.81 -1.25 -1.74 118.16 119.93 1kkm n LYS 57 Ca 0.08 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1kkm n LYS 57 Cb 0.61 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1kkm n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kkm n GLY 58 N 2.58 0.67 3.83 3.14 0.00 0.38 -5.01 105.19 110.79 1kkm n GLY 58 Ca 0.11 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1kkm n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkm s ALA 59 N -2.00 3.32 -0.30 4.61 0.00 -0.71 -4.81 121.76 121.86 1kkm s ALA 59 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1kkm s ALA 59 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1kkm s ALA 59 CO 0.00 0.31 0.03 -2.00 0.00 0.00 0.00 175.76 174.10 1kkm s GLU 60 N -2.65 2.65 0.25 0.00 2.12 -1.26 0.52 118.70 120.33 1kkm s GLU 60 Ca 0.51 -1.13 0.10 0.00 0.36 0.00 0.00 54.97 54.80 1kkm s GLU 60 Cb -0.12 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1kkm s GLU 60 CO 0.18 -0.57 -0.03 0.96 -0.54 0.00 0.00 175.26 175.26 1kkm s ILE 61 N 1.35 3.35 -0.09 -3.70 -4.36 -0.79 -4.54 121.20 112.41 1kkm s ILE 61 Ca -0.02 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1kkm s ILE 61 Cb -0.19 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.78 1kkm s ILE 61 CO 0.00 -0.33 -0.10 -0.89 0.24 0.00 0.00 174.94 173.86 1kkm s THR 62 N -2.23 1.09 -0.12 8.37 2.01 -0.40 -0.99 115.64 123.36 1kkm s THR 62 Ca 0.30 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1kkm s THR 62 Cb -0.07 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1kkm s THR 62 CO 0.19 0.36 0.04 -0.63 -0.69 0.00 0.00 174.62 173.89 1kkm s ILE 63 N 1.27 4.60 0.03 1.82 -1.09 -0.11 -0.31 121.20 127.40 1kkm s ILE 63 Ca -0.03 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1kkm s ILE 63 Cb -0.14 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 1kkm s ILE 63 CO -0.03 0.57 -0.00 -0.94 -1.23 0.00 0.00 174.94 173.30 1kkm s SER 64 N -0.56 0.26 0.05 3.58 1.04 -0.93 0.11 113.70 117.25 1kkm s SER 64 Ca 0.10 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 1kkm s SER 64 Cb -0.12 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1kkm s SER 64 CO 0.02 -0.38 0.12 0.00 0.98 0.00 0.00 173.24 173.98 1kkm s ALA 65 N -2.01 -0.07 -0.20 5.32 0.00 0.22 -1.03 121.76 123.99 1kkm s ALA 65 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1kkm s ALA 65 Cb -0.06 0.31 0.10 0.00 0.00 0.00 0.00 23.12 23.48 1kkm s ALA 65 CO -0.03 -0.37 0.30 -1.12 0.00 0.00 0.00 175.76 174.54 1kkm s SER 66 N -2.38 0.63 0.00 0.00 0.01 0.31 -4.10 113.70 108.17 1kkm s SER 66 Ca -0.01 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1kkm s SER 66 Cb 0.01 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1kkm s SER 66 CO -0.07 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1kkm n GLY 67 N 5.35 -1.12 0.31 3.44 0.00 -1.26 -1.69 105.19 110.21 1kkm n GLY 67 Ca -0.05 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1kkm n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkm h ALA 68 N 0.00 -0.64 -0.33 4.61 0.00 -1.99 -2.78 119.26 118.13 1kkm h ALA 68 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1kkm h ALA 68 Cb 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1kkm h ALA 68 CO 0.00 -0.88 0.24 -0.40 0.00 0.00 0.00 179.25 178.21 1kkm n ASP 69 N -5.40 4.03 -0.14 0.00 5.68 -1.26 -4.65 116.55 114.81 1kkm n ASP 69 Ca -0.10 -2.62 -0.08 0.00 -0.50 0.00 0.00 54.79 51.48 1kkm n ASP 69 Cb 0.30 -0.74 -0.06 0.00 -1.14 0.00 0.00 41.12 39.48 1kkm n ASP 69 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1kkm h GLU 70 N 0.60 -0.17 -0.32 0.11 5.08 -1.83 0.67 114.58 118.73 1kkm h GLU 70 Ca 0.21 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1kkm h GLU 70 Cb 1.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1kkm h GLU 70 CO 0.41 -0.11 0.07 -0.91 -1.00 0.00 0.00 179.01 177.47 1kkm h ASN 71 N -0.17 0.42 0.40 1.42 2.35 -1.88 -2.51 115.58 115.60 1kkm h ASN 71 Ca 0.06 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1kkm h ASN 71 Cb 0.34 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1kkm h ASN 71 CO -0.45 0.43 -0.20 0.44 -1.65 0.00 0.00 177.43 176.01 1kkm h ASP 72 N 0.45 -0.46 -0.88 5.81 5.19 -1.55 0.95 116.42 125.93 1kkm h ASP 72 Ca 0.11 0.02 0.22 0.00 -0.62 0.00 0.00 57.03 56.75 1kkm h ASP 72 Cb 0.19 0.12 -0.16 0.00 0.18 0.00 0.00 39.33 39.66 1kkm h ASP 72 CO -0.00 -0.33 -0.01 0.00 -3.12 0.00 0.00 179.24 175.78 1kkm h ALA 73 N -1.74 0.94 -0.72 3.45 0.00 -0.86 0.29 119.26 120.61 1kkm h ALA 73 Ca -0.06 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1kkm h ALA 73 Cb 0.42 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1kkm h ALA 73 CO 0.09 -0.48 0.37 -0.07 0.00 0.00 0.00 179.25 179.16 1kkm h LEU 74 N 0.06 0.93 -1.18 0.00 3.38 -1.30 -0.76 115.31 116.44 1kkm h LEU 74 Ca 0.50 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 1kkm h LEU 74 Cb 0.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1kkm h LEU 74 CO -0.81 0.79 -0.29 0.78 0.09 0.00 0.00 178.44 178.99 1kkm h ASN 75 N 1.01 0.20 0.55 -0.43 2.35 0.21 -1.18 115.58 118.29 1kkm h ASN 75 Ca 0.25 -0.06 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 1kkm h ASN 75 Cb 0.09 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1kkm h ASN 75 CO -0.03 0.49 -1.06 0.00 -1.65 0.00 0.00 177.43 175.18 1kkm h ALA 76 N 1.53 0.28 -0.11 -0.83 0.00 -0.81 -2.74 119.26 116.57 1kkm h ALA 76 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 1kkm h ALA 76 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1kkm h ALA 76 CO 0.04 0.93 -0.45 -0.07 0.00 0.00 0.00 179.25 179.70 1kkm h LEU 77 N 0.12 0.29 -0.33 0.00 3.38 -0.90 -1.05 115.31 116.83 1kkm h LEU 77 Ca -0.09 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1kkm h LEU 77 Cb 1.74 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1kkm h LEU 77 CO 0.17 0.71 -0.17 -0.08 0.09 0.00 0.00 178.44 179.16 1kkm h GLU 78 N 0.22 0.69 -0.30 1.13 4.81 -1.22 -1.56 114.58 118.35 1kkm h GLU 78 Ca 0.02 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1kkm h GLU 78 Cb 0.89 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1kkm h GLU 78 CO 0.07 0.90 -0.10 0.93 -0.73 0.00 0.00 179.01 180.09 1kkm h GLU 79 N 0.46 0.50 -0.14 1.92 5.08 -1.29 -2.32 114.58 118.79 1kkm h GLU 79 Ca 0.07 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1kkm h GLU 79 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1kkm h GLU 79 CO 0.05 0.61 -0.46 1.15 -1.00 0.00 0.00 179.01 179.36 1kkm h THR 80 N 0.47 1.33 0.00 1.13 2.02 -0.99 0.19 112.91 117.05 1kkm h THR 80 Ca 0.09 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 1kkm h THR 80 Cb 0.46 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1kkm h THR 80 CO 0.03 0.50 -0.00 0.24 0.37 0.00 0.00 175.52 176.65 1kkm h MET 81 N 0.27 0.00 0.01 6.66 2.07 -0.72 -2.76 114.93 120.46 1kkm h MET 81 Ca 0.02 0.00 -0.28 0.00 -2.07 0.00 0.00 59.70 57.36 1kkm h MET 81 Cb 0.92 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.61 1kkm h MET 81 CO 0.08 0.00 -1.55 1.63 1.07 0.00 0.00 176.91 178.14 1kkm n LYS 82 N -3.10 0.58 -0.02 1.72 5.02 -0.88 -0.63 118.16 120.85 1kkm n LYS 82 Ca -0.00 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.70 1kkm n LYS 82 Cb 0.26 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1kkm n LYS 82 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1kkm h SER 83 N -0.91 -0.75 -0.09 4.39 0.02 -0.96 -0.81 113.55 114.44 1kkm h SER 83 Ca -0.42 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1kkm h SER 83 Cb 1.42 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1kkm h SER 83 CO -0.22 -0.28 0.00 -0.62 -1.14 0.00 0.00 176.83 174.56 1kkm n GLU 84 N -5.37 1.30 -3.73 3.45 4.71 -1.04 -4.94 120.64 115.02 1kkm n GLU 84 Ca -0.02 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.16 56.36 1kkm n GLU 84 Cb 0.28 -1.28 0.03 0.00 -1.01 0.00 0.00 31.44 29.47 1kkm n GLU 84 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1kkm n ARG 85 N -0.28 -1.59 -0.08 3.49 1.74 -0.31 -4.91 116.66 114.73 1kkm n ARG 85 Ca 0.12 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.55 1kkm n ARG 85 Cb 0.16 -4.16 -0.15 0.00 -1.02 0.00 0.00 32.46 27.29 1kkm n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kkm n LEU 86 N -4.25 0.25 0.00 0.55 4.77 0.20 -4.12 117.00 114.41 1kkm n LEU 86 Ca -0.13 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1kkm n LEU 86 Cb 0.61 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1kkm n LEU 86 CO 0.68 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1kkm n GLY 87 N 1.69 -1.48 0.00 -0.72 0.00 -1.06 0.13 105.19 103.76 1kkm n GLY 87 Ca -0.28 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1kkm n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48