#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 2.61 0.07 4.61 0.00 -1.26 -5.09 121.76 122.70 2k7k s ALA 2 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 2k7k s ALA 2 Cb 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.72 2k7k s ALA 2 CO 0.00 -0.40 0.79 -1.83 0.00 0.00 0.00 175.76 174.32 2k7k s GLU 3 N 1.40 1.02 0.00 0.00 1.03 -1.26 -5.17 118.70 115.72 2k7k s GLU 3 Ca 0.05 -0.40 0.00 0.00 0.03 0.00 0.00 54.97 54.65 2k7k s GLU 3 Cb -0.14 0.46 0.00 0.00 -0.80 0.00 0.00 34.13 33.65 2k7k s GLU 3 CO -0.07 -0.45 0.00 0.41 -1.33 0.00 0.00 175.26 173.82 2k7k n GLY 4 N -0.31 -1.50 3.34 -3.83 0.00 -1.26 -4.81 105.19 96.81 2k7k n GLY 4 Ca -0.11 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 2k7k n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7k n ASN 5 N 0.00 -2.32 -4.57 1.61 5.15 -1.26 -4.88 115.26 108.99 2k7k n ASN 5 Ca 0.00 -0.59 -0.38 0.00 -0.60 0.00 0.00 54.58 53.01 2k7k n ASN 5 Cb 0.00 -4.92 -0.03 0.00 -0.53 0.00 0.00 39.78 34.30 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2k7k s THR 6 N -3.34 3.88 0.19 -0.44 2.01 -1.26 -4.92 115.64 111.76 2k7k s THR 6 Ca 0.04 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 2k7k s THR 6 Cb -0.02 -4.91 -0.10 0.00 0.01 0.00 0.00 72.50 67.48 2k7k s THR 6 CO 0.70 -1.73 1.57 -0.76 -0.69 0.00 0.00 174.62 173.70 2k7k s LEU 7 N 6.07 4.37 0.11 4.42 2.01 -1.26 -1.92 118.68 132.48 2k7k s LEU 7 Ca 0.54 2.67 0.03 0.00 0.01 0.00 0.00 54.13 57.38 2k7k s LEU 7 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.56 2k7k s LEU 7 CO -0.00 -0.83 -0.08 0.27 1.01 0.00 0.00 176.35 176.71 2k7k s ILE 8 N 0.94 0.86 -0.21 -0.59 -4.36 0.23 -0.83 121.20 117.24 2k7k s ILE 8 Ca 0.69 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 2k7k s ILE 8 Cb -0.44 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 41.69 2k7k s ILE 8 CO 0.34 -0.75 -0.16 -0.44 0.24 0.00 0.00 174.94 174.17 2k7k s SER 9 N -2.88 3.68 -0.02 4.36 0.01 0.69 -2.96 113.70 116.58 2k7k s SER 9 Ca 0.11 -0.91 -0.08 0.00 1.31 0.00 0.00 55.95 56.39 2k7k s SER 9 Cb 0.02 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.74 2k7k s SER 9 CO -0.02 -0.07 0.16 0.54 0.41 0.00 0.00 173.24 174.26 2k7k s VAL 10 N 1.23 0.06 0.23 3.43 0.11 -1.11 -1.95 120.40 122.40 2k7k s VAL 10 Ca 0.00 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 2k7k s VAL 10 Cb -0.16 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2k7k s VAL 10 CO -0.10 -0.27 0.27 0.47 -3.33 0.00 0.00 175.10 172.15 2k7k n ASP 11 N 1.85 1.08 -3.63 3.54 8.00 -0.95 -1.37 116.55 125.07 2k7k n ASP 11 Ca -0.20 -1.65 -0.07 0.00 0.71 0.00 0.00 54.79 53.58 2k7k n ASP 11 Cb 0.56 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2k7k s TYR 12 N -0.61 -0.29 -0.12 1.24 -0.85 -0.70 -3.72 117.35 112.29 2k7k s TYR 12 Ca 0.21 0.66 -0.08 0.00 -0.52 0.00 0.00 57.07 57.33 2k7k s TYR 12 Cb -0.02 0.43 0.04 0.00 0.38 0.00 0.00 41.96 42.79 2k7k s TYR 12 CO 0.13 -0.18 0.31 -1.83 -1.52 0.00 0.00 175.55 172.46 2k7k s GLU 13 N -0.25 0.31 -0.05 -3.49 -1.05 -1.22 -0.49 118.70 112.46 2k7k s GLU 13 Ca 0.04 0.55 0.03 0.00 -0.15 0.00 0.00 54.97 55.44 2k7k s GLU 13 Cb -0.04 0.02 -0.03 0.00 -0.44 0.00 0.00 34.13 33.65 2k7k s GLU 13 CO -0.07 -0.12 -0.13 0.42 0.95 0.00 0.00 175.26 176.31 2k7k s ILE 14 N 0.87 3.19 0.36 1.83 1.09 -1.25 -3.88 121.20 123.40 2k7k s ILE 14 Ca -0.06 -0.68 0.09 0.00 -1.10 0.00 0.00 60.65 58.90 2k7k s ILE 14 Cb -0.07 -2.26 -0.06 0.00 -1.06 0.00 0.00 42.46 39.02 2k7k s ILE 14 CO -0.06 0.59 0.01 0.12 -0.10 0.00 0.00 174.94 175.50 2k7k s PHE 15 N -0.73 2.53 0.00 3.97 5.36 -1.10 -2.59 117.98 125.42 2k7k s PHE 15 Ca 0.11 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2k7k s PHE 15 Cb -0.11 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.02 2k7k s PHE 15 CO 0.01 0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.64 2k7k n GLY 16 N -0.96 0.34 1.84 13.12 0.00 -1.26 -0.11 105.19 118.16 2k7k n GLY 16 Ca -0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2k7k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k7k n LYS 17 N 0.00 2.83 0.21 1.61 3.00 -1.25 -4.34 118.16 120.22 2k7k n LYS 17 Ca 0.00 -2.44 0.08 0.00 -0.00 0.00 0.00 58.31 55.95 2k7k n LYS 17 Cb 0.00 -2.01 0.44 0.00 0.00 0.00 0.00 35.03 33.46 2k7k n LYS 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2k7k h VAL 18 N 1.73 0.69 -3.50 3.15 -1.51 -1.76 -3.37 116.25 111.68 2k7k h VAL 18 Ca 0.31 -1.20 -0.48 0.00 -1.23 0.00 0.00 66.70 64.10 2k7k h VAL 18 Cb 2.18 1.77 0.04 0.00 -2.13 0.00 0.00 31.29 33.15 2k7k h VAL 18 CO 0.69 0.26 0.10 -1.58 -1.23 0.00 0.00 177.57 175.82 2k7k s GLN 19 N -3.71 3.31 -1.38 5.19 -0.44 -1.26 -4.10 119.66 117.27 2k7k s GLN 19 Ca -0.00 0.06 0.00 0.00 -2.50 0.00 0.00 55.36 52.92 2k7k s GLN 19 Cb 0.11 -2.37 0.00 0.00 -1.64 0.00 0.00 33.01 29.11 2k7k s GLN 19 CO 0.65 -0.35 0.00 0.41 0.50 0.00 0.00 175.29 176.50 2k7k n GLY 20 N -2.33 1.37 1.79 2.59 0.00 -1.26 -4.96 105.19 102.40 2k7k n GLY 20 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2k7k n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7k n VAL 21 N -2.58 0.00 -2.81 1.61 0.24 -1.26 -5.11 118.33 108.43 2k7k n VAL 21 Ca -0.13 -1.35 -0.43 0.00 -2.04 0.00 0.00 64.34 60.39 2k7k n VAL 21 Cb 0.45 0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 33.43 2k7k n VAL 21 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2k7k s PHE 22 N -2.71 2.77 0.36 6.34 0.08 -1.26 -4.99 117.98 118.56 2k7k s PHE 22 Ca 0.21 0.00 0.06 0.00 0.12 0.00 0.00 56.93 57.32 2k7k s PHE 22 Cb 0.01 -4.13 -0.03 0.00 -0.57 0.00 0.00 43.02 38.30 2k7k s PHE 22 CO 0.15 -1.39 0.24 -0.59 -0.10 0.00 0.00 175.22 173.52 2k7k s PHE 23 N 4.06 1.76 -1.16 0.36 -0.71 -1.26 -4.83 117.98 116.20 2k7k s PHE 23 Ca 0.31 -1.56 0.00 0.00 -1.04 0.00 0.00 56.93 54.64 2k7k s PHE 23 Cb -0.12 -0.84 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 2k7k s PHE 23 CO 0.19 -0.71 0.00 -2.13 -1.34 0.00 0.00 175.22 171.23 2k7k n ARG 24 N -0.71 -1.38 0.00 1.99 0.63 -1.26 -4.72 116.66 111.21 2k7k n ARG 24 Ca 0.03 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 2k7k n ARG 24 Cb 0.63 -5.10 0.00 0.00 0.45 0.00 0.00 32.46 28.44 2k7k n ARG 24 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k7k n LYS 25 N -1.44 0.87 0.13 -0.14 4.81 -1.26 -4.72 118.16 116.41 2k7k n LYS 25 Ca -0.11 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.45 2k7k n LYS 25 Cb 0.52 -0.85 0.04 0.00 0.02 0.00 0.00 35.03 34.76 2k7k n LYS 25 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k7k h HIS 26 N 0.00 0.00 0.00 5.64 2.76 -1.89 -3.31 115.15 118.35 2k7k h HIS 26 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2k7k h HIS 26 Cb 0.70 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2k7k h HIS 26 CO 0.00 0.00 -0.27 1.15 -1.30 0.00 0.00 177.93 177.51 2k7k h THR 27 N 0.00 0.55 0.00 6.26 2.02 -1.94 0.12 112.91 119.92 2k7k h THR 27 Ca 0.00 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 2k7k h THR 27 Cb 0.99 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2k7k h THR 27 CO 0.00 0.26 -0.26 -0.61 0.37 0.00 0.00 175.52 175.28 2k7k h GLN 28 N 0.00 0.00 0.00 6.66 4.15 -1.85 0.99 115.11 125.06 2k7k h GLN 28 Ca -0.00 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.03 2k7k h GLN 28 Cb 0.95 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.58 2k7k h GLN 28 CO 0.03 0.26 -2.44 0.00 -1.93 0.00 0.00 178.83 174.75 2k7k n ALA 29 N -2.17 1.44 0.62 3.38 0.00 -1.13 -4.05 120.51 118.60 2k7k n ALA 29 Ca 0.03 -1.16 0.12 0.00 0.00 0.00 0.00 53.44 52.43 2k7k n ALA 29 Cb 0.63 -0.14 0.15 0.00 0.00 0.00 0.00 19.45 20.09 2k7k n ALA 29 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k7k n GLU 30 N -3.13 0.26 0.12 0.00 2.13 0.42 -4.08 120.64 116.36 2k7k n GLU 30 Ca -0.42 0.06 -0.23 0.00 0.66 0.00 0.00 57.16 57.22 2k7k n GLU 30 Cb 1.04 -1.64 -0.15 0.00 0.27 0.00 0.00 31.44 30.95 2k7k n GLU 30 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2k7k h GLY 31 N 4.57 0.53 0.33 8.31 0.00 -0.95 -3.30 103.07 112.57 2k7k h GLY 31 Ca 0.00 -1.36 0.24 0.00 0.00 0.00 0.00 47.33 46.20 2k7k h GLY 31 CO 0.00 1.19 0.60 0.07 0.00 0.00 0.00 176.54 178.40 2k7k h LYS 32 N 0.13 0.04 -0.89 4.80 2.10 -1.71 0.34 116.57 121.38 2k7k h LYS 32 Ca -0.27 -0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.59 2k7k h LYS 32 Cb 2.13 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 33.40 2k7k h LYS 32 CO 0.24 0.02 0.60 0.87 -2.00 0.00 0.00 179.45 179.18 2k7k h LYS 33 N 0.04 0.25 0.00 0.07 1.57 -1.76 -2.15 116.57 114.58 2k7k h LYS 33 Ca 0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2k7k h LYS 33 Cb 1.55 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2k7k h LYS 33 CO -0.02 0.17 -0.19 1.28 -0.57 0.00 0.00 179.45 180.12 2k7k n LEU 34 N -4.43 0.99 -3.19 2.94 7.99 0.37 -4.93 117.00 116.75 2k7k n LEU 34 Ca 0.19 -1.59 -0.18 0.00 -0.01 0.00 0.00 56.01 54.41 2k7k n LEU 34 Cb 0.79 -0.13 -0.06 0.00 -0.11 0.00 0.00 43.42 43.90 2k7k n LEU 34 CO 0.33 0.38 -0.16 -0.83 -1.51 0.00 0.00 177.39 175.60 2k7k s GLY 35 N -1.38 0.26 0.54 -0.72 0.00 0.92 -4.73 107.32 102.21 2k7k s GLY 35 Ca 0.10 -1.62 0.31 0.00 0.00 0.00 0.00 44.72 43.50 2k7k s GLY 35 CO 0.01 2.69 1.90 1.41 0.00 0.00 0.00 173.10 179.11 2k7k h LEU 36 N 5.61 0.00 -7.56 0.66 3.38 -1.74 -3.36 115.31 112.30 2k7k h LEU 36 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2k7k h LEU 36 Cb 0.99 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.51 2k7k h LEU 36 CO 0.23 0.00 -0.43 0.68 0.09 0.00 0.00 178.44 179.01 2k7k s VAL 37 N -4.95 0.03 -4.01 1.22 -7.23 -1.26 -3.45 120.40 100.75 2k7k s VAL 37 Ca -0.05 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2k7k s VAL 37 Cb 0.21 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.74 2k7k s VAL 37 CO 0.75 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 2k7k n GLY 38 N 2.31 -0.53 3.60 2.32 0.00 -1.26 -3.29 105.19 108.33 2k7k n GLY 38 Ca -0.17 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 2k7k n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7k s TRP 39 N -3.47 -0.12 -0.10 1.61 -2.14 -1.23 -2.45 118.94 111.04 2k7k s TRP 39 Ca 0.00 0.03 0.03 0.00 2.66 0.00 0.00 56.10 58.82 2k7k s TRP 39 Cb 0.00 0.53 -0.01 0.00 -3.10 0.00 0.00 33.47 30.89 2k7k s TRP 39 CO 0.00 -0.28 -0.19 0.08 -2.66 0.00 0.00 176.95 173.90 2k7k s VAL 40 N -2.52 2.56 0.11 -0.66 1.01 -1.26 -2.93 120.40 116.70 2k7k s VAL 40 Ca 0.11 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2k7k s VAL 40 Cb 0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2k7k s VAL 40 CO -0.04 0.55 -0.15 -1.58 0.00 0.00 0.00 175.10 173.88 2k7k s GLN 41 N 0.10 0.99 0.05 2.72 0.74 0.02 -3.37 119.66 120.92 2k7k s GLN 41 Ca -0.09 -1.17 0.03 0.00 0.05 0.00 0.00 55.36 54.18 2k7k s GLN 41 Cb -0.15 -0.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.98 2k7k s GLN 41 CO 0.06 0.19 0.02 0.54 -0.55 0.00 0.00 175.29 175.55 2k7k s ASN 42 N -2.24 5.22 0.20 6.67 2.20 -1.26 -2.27 114.94 123.47 2k7k s ASN 42 Ca 0.06 -0.06 0.06 0.00 -0.94 0.00 0.00 52.86 51.98 2k7k s ASN 42 Cb -0.07 -1.34 -0.04 0.00 -2.00 0.00 0.00 41.25 37.81 2k7k s ASN 42 CO 0.03 0.21 0.16 0.42 -2.94 0.00 0.00 177.10 174.99 2k7k s THR 43 N -1.25 4.47 0.50 0.54 -4.23 -1.11 -4.92 115.64 109.64 2k7k s THR 43 Ca 0.24 -1.23 0.18 0.00 -1.18 0.00 0.00 61.69 59.70 2k7k s THR 43 Cb -0.12 -3.34 0.26 0.00 1.34 0.00 0.00 72.50 70.64 2k7k s THR 43 CO 0.16 -0.22 2.12 -0.78 -0.54 0.00 0.00 174.62 175.36 2k7k h ASP 44 N 1.98 0.00 -0.02 3.99 3.58 -2.00 -2.73 116.42 121.22 2k7k h ASP 44 Ca -0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 2k7k h ASP 44 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k7k h ASP 44 CO 0.62 0.06 -0.06 0.03 -2.88 0.00 0.00 179.24 177.01 2k7k h ARG 45 N 0.00 0.07 0.00 0.28 2.47 -2.05 -3.48 114.38 111.67 2k7k h ARG 45 Ca -0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2k7k h ARG 45 Cb 0.11 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2k7k h ARG 45 CO 0.01 0.70 0.00 0.41 0.56 0.00 0.00 179.97 181.64 2k7k n GLY 46 N 0.65 0.83 3.49 0.04 0.00 -1.03 -5.13 105.19 104.04 2k7k n GLY 46 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2k7k n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k7k n THR 47 N 0.00 0.00 -3.57 2.61 -2.24 -1.26 -4.63 114.28 105.18 2k7k n THR 47 Ca 0.00 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 2k7k n THR 47 Cb 0.00 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 2k7k n THR 47 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k7k n VAL 48 N -3.99 3.08 -2.31 2.28 0.31 -1.07 -2.74 118.33 113.89 2k7k n VAL 48 Ca 0.08 -5.19 -0.41 0.00 -0.01 0.00 0.00 64.34 58.81 2k7k n VAL 48 Cb 0.54 -2.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 2k7k n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k7k s GLN 49 N -1.64 4.47 -0.21 5.55 -2.07 -0.96 -3.91 119.66 120.89 2k7k s GLN 49 Ca 0.29 1.96 -0.16 0.00 -1.82 0.00 0.00 55.36 55.63 2k7k s GLN 49 Cb -0.03 -3.19 0.06 0.00 -1.09 0.00 0.00 33.01 28.75 2k7k s GLN 49 CO -0.10 -0.09 0.53 0.20 -1.32 0.00 0.00 175.29 174.51 2k7k s GLY 50 N -0.08 -0.42 0.22 2.60 0.00 0.36 -0.80 107.32 109.19 2k7k s GLY 50 Ca 0.52 1.67 -0.22 0.00 0.00 0.00 0.00 44.72 46.69 2k7k s GLY 50 CO 0.40 1.58 0.76 1.20 0.00 0.00 0.00 173.10 177.04 2k7k s GLN 51 N 0.77 4.36 -0.04 2.90 -0.21 -1.15 -1.73 119.66 124.56 2k7k s GLN 51 Ca -0.04 0.99 0.00 0.00 0.02 0.00 0.00 55.36 56.33 2k7k s GLN 51 Cb -0.05 -2.97 0.03 0.00 1.00 0.00 0.00 33.01 31.02 2k7k s GLN 51 CO -0.06 0.43 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.35 2k7k s LEU 52 N -1.77 1.08 0.11 2.90 2.96 -0.47 -3.57 118.68 119.91 2k7k s LEU 52 Ca 0.42 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 2k7k s LEU 52 Cb -0.18 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 2k7k s LEU 52 CO 0.22 -0.11 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.45 2k7k s GLN 53 N 1.22 2.05 0.00 1.98 2.00 -1.21 -2.75 119.66 122.95 2k7k s GLN 53 Ca -0.07 -1.07 0.00 0.00 -2.00 0.00 0.00 55.36 52.23 2k7k s GLN 53 Cb -0.14 -2.26 0.00 0.00 0.80 0.00 0.00 33.01 31.41 2k7k s GLN 53 CO -0.02 0.50 0.00 0.41 -0.50 0.00 0.00 175.29 175.68 2k7k n GLY 54 N 0.69 1.11 3.77 2.59 0.00 -1.15 -4.26 105.19 107.93 2k7k n GLY 54 Ca -0.14 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -1.59 3.62 0.58 1.61 0.04 -1.26 -0.60 135.00 137.39 2k7k s PRO 55 Ca 0.00 1.72 0.28 0.00 0.04 0.00 0.00 61.00 63.04 2k7k s PRO 55 Cb 0.00 -2.27 1.56 0.00 0.04 0.00 0.00 34.50 33.83 2k7k s PRO 55 CO 0.00 -0.66 2.02 0.97 0.04 0.00 0.00 177.00 179.38 2k7k h ILE 56 N 1.64 0.48 0.00 0.56 2.10 -1.74 0.33 117.51 120.88 2k7k h ILE 56 Ca -0.50 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.40 2k7k h ILE 56 Cb 1.25 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2k7k h ILE 56 CO 0.59 0.00 -0.21 0.28 -1.08 0.00 0.00 178.15 177.73 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.02 -1.91 -1.32 113.55 112.54 2k7k h SER 57 Ca 0.15 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.77 2k7k h SER 57 Cb 0.76 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 2k7k h SER 57 CO -0.00 0.21 -2.24 0.29 -1.14 0.00 0.00 176.83 173.95 2k7k n LYS 58 N -3.65 0.91 0.23 3.45 4.01 0.84 -4.38 118.16 119.57 2k7k n LYS 58 Ca -0.01 0.05 0.10 0.00 -0.51 0.00 0.00 58.31 57.94 2k7k n LYS 58 Cb 0.33 -1.45 0.53 0.00 -0.51 0.00 0.00 35.03 33.93 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7k h VAL 59 N 0.00 0.60 0.00 -0.18 2.07 -0.64 -2.54 116.25 115.56 2k7k h VAL 59 Ca -0.49 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 2k7k h VAL 59 Cb 1.97 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2k7k h VAL 59 CO -0.01 0.21 -0.28 -0.09 0.02 0.00 0.00 177.57 177.41 2k7k h ARG 60 N 0.00 0.00 0.00 1.57 9.65 -1.44 -2.90 114.38 121.26 2k7k h ARG 60 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2k7k h ARG 60 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2k7k h ARG 60 CO 0.03 0.28 -0.21 1.25 2.80 0.00 0.00 179.97 184.13 2k7k h HIS 61 N 0.00 0.21 -0.13 2.20 2.76 -1.66 -3.10 115.15 115.43 2k7k h HIS 61 Ca -0.00 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2k7k h HIS 61 Cb 0.89 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 2k7k h HIS 61 CO 0.00 0.92 0.01 0.52 -1.30 0.00 0.00 177.93 178.08 2k7k h MET 62 N -0.57 0.05 -0.38 5.26 2.86 -1.57 -0.08 114.93 120.50 2k7k h MET 62 Ca -0.03 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2k7k h MET 62 Cb 0.98 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2k7k h MET 62 CO 0.04 0.03 0.29 -0.56 1.06 0.00 0.00 176.91 177.78 2k7k h GLN 63 N 0.05 0.00 -0.47 1.72 3.07 -1.63 0.18 115.11 118.04 2k7k h GLN 63 Ca 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.62 2k7k h GLN 63 Cb 0.06 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.52 2k7k h GLN 63 CO -0.09 0.00 0.09 -0.85 0.09 0.00 0.00 178.83 178.07 2k7k n GLU 64 N -4.29 2.48 0.00 0.06 0.28 -0.60 -4.36 120.64 114.21 2k7k n GLU 64 Ca 0.06 -3.06 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 2k7k n GLU 64 Cb 0.48 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 31.41 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 2k7k n TRP 65 N -0.81 0.00 0.20 -1.84 -0.00 0.36 -4.66 117.44 110.68 2k7k n TRP 65 Ca 0.34 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.90 2k7k n TRP 65 Cb 1.13 0.03 0.39 0.00 -0.00 0.00 0.00 31.31 32.86 2k7k n TRP 65 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k7k h LEU 66 N 0.00 0.00 -0.05 5.87 3.38 -1.07 0.23 115.31 123.67 2k7k h LEU 66 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2k7k h LEU 66 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k7k h LEU 66 CO 0.00 0.35 -1.06 1.05 0.09 0.00 0.00 178.44 178.87 2k7k h GLU 67 N 0.00 0.24 0.00 1.13 -0.00 -1.78 -3.39 114.58 110.79 2k7k h GLU 67 Ca -0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2k7k h GLU 67 Cb 0.75 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 2k7k h GLU 67 CO 0.05 1.10 -0.26 1.79 -0.00 0.00 0.00 179.01 181.69 2k7k h THR 68 N 0.10 0.00 -4.06 -1.06 1.35 -1.78 -3.48 112.91 103.98 2k7k h THR 68 Ca -0.09 -0.87 -0.45 0.00 -0.55 0.00 0.00 66.41 64.45 2k7k h THR 68 Cb 1.76 0.00 0.15 0.00 -1.73 0.00 0.00 68.15 68.33 2k7k h THR 68 CO 0.17 0.00 0.33 -0.13 -0.25 0.00 0.00 175.52 175.64 2k7k s ARG 69 N -1.83 0.58 0.00 4.72 1.81 0.78 -5.07 118.95 119.94 2k7k s ARG 69 Ca -0.07 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 2k7k s ARG 69 Cb 0.01 -1.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 2k7k s ARG 69 CO 0.11 -2.50 0.00 0.41 -0.68 0.00 0.00 175.30 172.64 2k7k n GLY 70 N -2.74 4.29 3.43 -3.53 0.00 -1.26 -4.65 105.19 100.74 2k7k n GLY 70 Ca 0.12 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k7k n SER 71 N 0.00 -1.84 0.23 1.61 3.41 -1.26 -4.89 113.62 110.88 2k7k n SER 71 Ca 0.00 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 2k7k n SER 71 Cb 0.00 -1.22 0.50 0.00 -0.26 0.00 0.00 64.21 63.23 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7k h PRO 72 N -1.65 0.00 -0.58 4.33 0.13 -2.01 -2.83 132.00 129.39 2k7k h PRO 72 Ca -0.44 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 2k7k h PRO 72 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2k7k h PRO 72 CO 0.35 0.23 0.18 1.63 -0.23 0.00 0.00 178.00 180.17 2k7k n LYS 73 N -3.50 2.61 -3.21 0.86 5.02 -1.26 -4.66 118.16 114.03 2k7k n LYS 73 Ca -0.01 -3.07 -0.23 0.00 -2.02 0.00 0.00 58.31 52.99 2k7k n LYS 73 Cb 0.39 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k7k n SER 74 N -0.77 1.13 -4.52 4.39 3.41 -1.07 -4.30 113.62 111.89 2k7k n SER 74 Ca 0.39 -2.94 -0.35 0.00 -0.26 0.00 0.00 58.87 55.70 2k7k n SER 74 Cb 1.24 -0.63 0.09 0.00 -0.26 0.00 0.00 64.21 64.65 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k7k n HIS 75 N 0.93 -0.31 -3.80 7.33 -0.00 -1.26 -4.57 115.22 113.53 2k7k n HIS 75 Ca 0.24 0.35 -0.29 0.00 0.46 0.00 0.00 57.72 58.48 2k7k n HIS 75 Cb 0.54 -1.96 -0.11 0.00 -0.12 0.00 0.00 29.99 28.34 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2k7k n ILE 76 N -2.73 1.95 -0.15 3.57 5.41 -1.25 -3.84 119.36 122.32 2k7k n ILE 76 Ca 0.11 -4.96 -0.11 0.00 1.00 0.00 0.00 62.75 58.79 2k7k n ILE 76 Cb 0.50 -2.20 -0.01 0.00 -0.71 0.00 0.00 39.64 37.22 2k7k n ILE 76 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k7k h ASP 77 N 5.31 0.82 -2.76 4.38 3.58 -0.88 -3.42 116.42 123.44 2k7k h ASP 77 Ca 0.16 -0.34 -0.38 0.00 0.42 0.00 0.00 57.03 56.89 2k7k h ASP 77 Cb 0.75 -0.22 -0.38 0.00 1.72 0.00 0.00 39.33 41.19 2k7k h ASP 77 CO 0.76 0.97 -0.68 -0.75 -2.88 0.00 0.00 179.24 176.66 2k7k s LYS 78 N -4.87 0.13 -0.26 0.28 2.47 -1.25 -4.97 119.74 111.27 2k7k s LYS 78 Ca -0.12 0.09 0.03 0.00 -1.56 0.00 0.00 55.97 54.40 2k7k s LYS 78 Cb 0.11 -1.46 0.06 0.00 -1.46 0.00 0.00 37.83 35.08 2k7k s LYS 78 CO 0.82 -0.66 -0.10 0.00 0.16 0.00 0.00 175.35 175.57 2k7k s ALA 79 N 2.25 2.54 0.06 3.13 0.00 -1.26 -2.71 121.76 125.77 2k7k s ALA 79 Ca 0.05 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 2k7k s ALA 79 Cb -0.16 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.40 2k7k s ALA 79 CO -0.11 -1.22 0.41 1.21 0.00 0.00 0.00 175.76 176.06 2k7k s ASN 80 N 1.11 -0.27 0.49 0.00 3.84 -1.25 -4.97 114.94 113.88 2k7k s ASN 80 Ca -0.08 -0.07 0.04 0.00 0.21 0.00 0.00 52.86 52.96 2k7k s ASN 80 Cb -0.20 0.44 0.04 0.00 -0.55 0.00 0.00 41.25 40.98 2k7k s ASN 80 CO -0.05 -0.71 0.33 2.22 -2.79 0.00 0.00 177.10 176.10 2k7k n PHE 81 N 0.34 -0.50 -3.88 0.43 1.16 -1.26 -3.42 117.46 110.33 2k7k n PHE 81 Ca -0.18 -2.11 0.02 0.00 -1.87 0.00 0.00 57.45 53.31 2k7k n PHE 81 Cb 0.61 -0.39 0.01 0.00 -1.61 0.00 0.00 39.48 38.09 2k7k n PHE 81 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2k7k s ASN 82 N -3.86 -0.01 -1.57 5.98 4.22 -1.24 -4.99 114.94 113.47 2k7k s ASN 82 Ca 0.25 -0.24 -0.04 0.00 -2.14 0.00 0.00 52.86 50.69 2k7k s ASN 82 Cb -0.02 0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.71 2k7k s ASN 82 CO 0.16 -0.38 0.56 0.59 -2.04 0.00 0.00 177.10 175.99 2k7k n ASN 83 N -0.94 -6.11 -4.73 3.54 5.03 -1.26 -2.23 115.26 108.56 2k7k n ASN 83 Ca -0.00 -0.26 -0.41 0.00 0.87 0.00 0.00 54.58 54.77 2k7k n ASN 83 Cb 0.60 -4.94 -0.03 0.00 -1.02 0.00 0.00 39.78 34.38 2k7k n ASN 83 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2k7k s GLU 84 N -5.64 4.49 0.24 3.52 2.12 -1.25 -4.23 118.70 117.96 2k7k s GLU 84 Ca 0.28 1.85 -0.21 0.00 0.36 0.00 0.00 54.97 57.25 2k7k s GLU 84 Cb -0.12 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.05 2k7k s GLU 84 CO 0.34 -0.10 0.67 -1.59 -0.54 0.00 0.00 175.26 174.04 2k7k s LYS 85 N -0.07 1.60 0.07 4.30 -2.85 -0.82 -4.96 119.74 117.01 2k7k s LYS 85 Ca 0.53 -0.83 0.06 0.00 -1.00 0.00 0.00 55.97 54.73 2k7k s LYS 85 Cb -0.32 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 2k7k s LYS 85 CO 0.35 -0.72 -0.08 0.14 0.10 0.00 0.00 175.35 175.14 2k7k s VAL 86 N -3.87 3.52 0.24 1.79 -7.23 -1.26 -0.22 120.40 113.37 2k7k s VAL 86 Ca 0.08 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 2k7k s VAL 86 Cb -0.04 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2k7k s VAL 86 CO 0.00 0.21 0.25 2.30 -0.31 0.00 0.00 175.10 177.56 2k7k n ILE 87 N 0.99 0.00 -0.06 -0.62 -0.00 -0.01 -4.92 119.36 114.74 2k7k n ILE 87 Ca -0.14 -1.57 -0.11 0.00 -0.00 0.00 0.00 62.75 60.93 2k7k n ILE 87 Cb 0.52 0.84 -0.10 0.00 -0.00 0.00 0.00 39.64 40.90 2k7k n ILE 87 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k7k h LEU 88 N 0.00 -0.00 0.00 7.28 -0.00 -1.98 -3.37 115.31 117.23 2k7k h LEU 88 Ca -0.18 -0.79 -0.20 0.00 -0.00 0.00 0.00 57.88 56.71 2k7k h LEU 88 Cb 0.85 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.47 2k7k h LEU 88 CO 0.25 0.89 -0.03 0.29 -0.00 0.00 0.00 178.44 179.83 2k7k n LYS 89 N -4.65 0.78 -0.60 1.13 5.02 -1.26 -4.68 118.16 113.90 2k7k n LYS 89 Ca -0.08 -2.52 -0.30 0.00 -2.02 0.00 0.00 58.31 53.39 2k7k n LYS 89 Cb 0.38 2.59 0.20 0.00 -0.02 0.00 0.00 35.03 38.18 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k7k n LEU 90 N 0.00 0.74 -0.06 -0.35 4.77 -1.26 -4.98 117.00 115.86 2k7k n LEU 90 Ca -0.02 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2k7k n LEU 90 Cb 0.56 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.23 2k7k n LEU 90 CO 0.27 -2.80 -0.91 -0.90 -1.33 0.00 0.00 177.39 171.72 2k7k n ASP 91 N -4.20 2.33 -4.69 -1.43 5.75 -1.26 -5.03 116.55 108.02 2k7k n ASP 91 Ca 0.07 -0.02 -0.23 0.00 -0.01 0.00 0.00 54.79 54.60 2k7k n ASP 91 Cb 0.53 0.50 0.11 0.00 -1.03 0.00 0.00 41.12 41.24 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2k7k s TYR 92 N -2.29 1.35 -0.02 2.11 1.51 -1.26 -5.05 117.35 113.71 2k7k s TYR 92 Ca -0.10 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.61 2k7k s TYR 92 Cb 0.04 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.93 2k7k s TYR 92 CO 0.44 -1.75 0.06 0.43 -1.11 0.00 0.00 175.55 173.63 2k7k n SER 93 N -2.81 3.99 -3.61 2.29 7.64 -1.26 -5.00 113.62 114.85 2k7k n SER 93 Ca 0.16 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 2k7k n SER 93 Cb 0.61 0.96 -0.06 0.00 -1.01 0.00 0.00 64.21 64.71 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7k s ASP 94 N -2.91 -0.47 0.62 6.43 2.15 -1.26 -4.98 116.67 116.26 2k7k s ASP 94 Ca -0.02 0.77 -0.18 0.00 0.43 0.00 0.00 52.55 53.55 2k7k s ASP 94 Cb 0.02 0.74 -0.02 0.00 -0.30 0.00 0.00 42.92 43.36 2k7k s ASP 94 CO 0.18 -0.25 1.24 0.72 -0.17 0.00 0.00 175.17 176.88 2k7k s PHE 95 N -0.26 2.25 -0.28 -5.34 -0.12 -1.22 -4.50 117.98 108.51 2k7k s PHE 95 Ca 0.00 1.51 -0.25 0.00 -0.05 0.00 0.00 56.93 58.14 2k7k s PHE 95 Cb -0.03 -3.56 0.11 0.00 -0.63 0.00 0.00 43.02 38.92 2k7k s PHE 95 CO -0.02 -2.50 0.98 -0.65 -0.05 0.00 0.00 175.22 172.98 2k7k s GLN 96 N -3.40 0.56 0.24 1.99 -0.21 -1.02 -4.90 119.66 112.91 2k7k s GLN 96 Ca 0.79 0.65 -0.23 0.00 0.02 0.00 0.00 55.36 56.60 2k7k s GLN 96 Cb -0.33 0.27 -0.09 0.00 1.00 0.00 0.00 33.01 33.87 2k7k s GLN 96 CO 0.36 -0.07 0.80 0.42 -2.12 0.00 0.00 175.29 174.68 2k7k s ILE 97 N 0.22 4.42 -0.12 1.08 1.01 -1.26 -4.13 121.20 122.43 2k7k s ILE 97 Ca 0.03 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 2k7k s ILE 97 Cb -0.05 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 2k7k s ILE 97 CO -0.05 0.25 -0.08 -0.69 0.00 0.00 0.00 174.94 174.37 2k7k s VAL 98 N -1.48 3.53 -2.00 2.92 1.01 -1.22 -4.94 120.40 118.23 2k7k s VAL 98 Ca 0.44 -0.51 0.16 0.00 0.00 0.00 0.00 61.98 62.07 2k7k s VAL 98 Cb -0.18 -2.49 0.46 0.00 0.00 0.00 0.00 36.38 34.17 2k7k s VAL 98 CO 0.23 0.54 1.38 2.29 0.00 0.00 0.00 175.10 179.53