#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6e n ASN -1 N 0.00 3.30 -1.58 4.04 0.23 -1.26 -5.07 115.26 114.92 3k6e n ASN -1 Ca 0.00 -3.34 -0.01 0.00 -0.53 0.00 0.00 54.58 50.70 3k6e n ASN -1 Cb 0.00 -0.67 -0.01 0.00 -2.08 0.00 0.00 39.78 37.02 3k6e n ASN -1 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k6e n ALA 0 N 1.03 3.85 0.00 -2.53 0.00 -1.26 -2.99 120.51 118.61 3k6e n ALA 0 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3k6e n ALA 0 Cb 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3k6e n ALA 0 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3k6e n ILE 2 N 1.61 0.00 -0.05 0.00 0.13 -1.26 -1.11 119.36 118.68 3k6e n ILE 2 Ca 0.02 0.00 0.07 0.00 -1.10 0.00 0.00 62.75 61.74 3k6e n ILE 2 Cb 0.47 0.00 0.44 0.00 -0.84 0.00 0.00 39.64 39.71 3k6e n ILE 2 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3k6e h ALA 3 N 0.00 1.81 0.00 1.51 0.00 -1.98 -0.75 119.26 119.86 3k6e h ALA 3 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k6e h ALA 3 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3k6e h ALA 3 CO 0.00 0.12 -0.00 -0.22 0.00 0.00 0.00 179.25 179.15 3k6e h LYS 4 N 0.53 -0.00 -0.86 0.00 3.64 -1.44 -2.76 116.57 115.68 3k6e h LYS 4 Ca 0.21 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.77 3k6e h LYS 4 Cb 0.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3k6e h LYS 4 CO -0.06 0.78 0.57 0.93 -2.27 0.00 0.00 179.45 179.40 3k6e h GLU 5 N -0.78 0.42 0.19 1.90 5.08 -1.76 -0.83 114.58 118.79 3k6e h GLU 5 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3k6e h GLU 5 Cb 0.78 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3k6e h GLU 5 CO 0.00 0.28 -0.09 0.35 -1.00 0.00 0.00 179.01 178.55 3k6e h PHE 6 N 0.43 -0.24 -0.10 4.33 3.57 -1.13 -1.26 116.94 122.54 3k6e h PHE 6 Ca 0.44 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.97 3k6e h PHE 6 Cb 1.04 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 3k6e h PHE 6 CO -0.00 0.14 -0.25 1.49 -2.23 0.00 0.00 178.31 177.46 3k6e h GLU 7 N -0.68 -0.32 -0.05 1.11 4.81 -1.17 0.17 114.58 118.44 3k6e h GLU 7 Ca -0.03 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3k6e h GLU 7 Cb 0.48 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 3k6e h GLU 7 CO 0.04 -0.22 -0.21 1.79 -0.73 0.00 0.00 179.01 179.69 3k6e h THR 8 N -0.33 0.50 -0.72 0.32 1.35 -1.16 0.13 112.91 113.00 3k6e h THR 8 Ca 0.09 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.09 3k6e h THR 8 Cb 0.47 0.50 -0.09 0.00 -1.73 0.00 0.00 68.15 67.29 3k6e h THR 8 CO -0.29 0.00 0.25 0.15 -0.25 0.00 0.00 175.52 175.39 3k6e h PHE 9 N -0.31 0.43 -0.45 4.73 3.57 -0.79 -2.18 116.94 121.94 3k6e h PHE 9 Ca 0.07 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3k6e h PHE 9 Cb 0.41 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3k6e h PHE 9 CO -0.28 0.03 0.16 -0.07 -2.23 0.00 0.00 178.31 175.92 3k6e h LEU 10 N 0.39 0.63 -1.95 0.59 3.38 0.12 -1.25 115.31 117.22 3k6e h LEU 10 Ca 0.39 -0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.36 3k6e h LEU 10 Cb 0.59 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3k6e h LEU 10 CO -0.41 0.65 0.48 -0.07 0.09 0.00 0.00 178.44 179.19 3k6e h LEU 11 N 0.58 0.05 -2.53 1.67 4.07 -0.21 0.28 115.31 119.22 3k6e h LEU 11 Ca 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3k6e h LEU 11 Cb 0.23 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 3k6e h LEU 11 CO -0.01 0.02 -0.02 1.23 -1.08 0.00 0.00 178.44 178.59 3k6e h GLY 12 N 0.05 0.00 0.00 0.83 0.00 -0.83 -2.66 103.07 100.45 3k6e h GLY 12 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3k6e h GLY 12 CO -0.02 0.00 -0.73 -1.06 0.00 0.00 0.00 176.54 174.73 3k6e n GLN 13 N -3.57 2.58 -0.19 4.80 3.00 0.85 -4.81 117.38 120.04 3k6e n GLN 13 Ca -0.03 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.05 3k6e n GLN 13 Cb 0.10 -1.11 0.20 0.00 0.00 0.00 0.00 30.24 29.43 3k6e n GLN 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3k6e n GLU 14 N -1.39 -0.04 0.10 -1.09 2.13 -0.46 0.39 120.64 120.28 3k6e n GLU 14 Ca 0.02 0.80 -0.13 0.00 0.66 0.00 0.00 57.16 58.51 3k6e n GLU 14 Cb 0.21 -1.31 -0.08 0.00 0.27 0.00 0.00 31.44 30.53 3k6e n GLU 14 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3k6e h GLU 15 N 0.00 -0.21 -0.88 5.31 5.08 -1.87 -3.16 114.58 118.84 3k6e h GLU 15 Ca 0.36 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3k6e h GLU 15 Cb 0.81 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3k6e h GLU 15 CO -0.49 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 177.81 3k6e n THR 16 N -5.08 0.18 0.01 1.13 -2.24 0.16 -3.16 114.28 105.28 3k6e n THR 16 Ca -0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 3k6e n THR 16 Cb 0.20 -0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 3k6e n THR 16 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3k6e h PHE 17 N 0.26 0.01 -3.21 4.78 0.04 -1.50 -3.47 116.94 113.85 3k6e h PHE 17 Ca 0.00 -0.01 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 3k6e h PHE 17 Cb 0.48 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 3k6e h PHE 17 CO 0.00 1.01 0.58 -1.17 -0.60 0.00 0.00 178.31 178.14 3k6e s LEU 18 N -6.32 4.29 -0.30 1.54 2.96 -1.19 -4.28 118.68 115.38 3k6e s LEU 18 Ca -0.03 1.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.45 3k6e s LEU 18 Cb 0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3k6e s LEU 18 CO 0.82 -0.47 0.36 -0.89 -1.32 0.00 0.00 176.35 174.85 3k6e s THR 19 N 1.82 5.18 0.36 3.68 2.01 0.16 -4.94 115.64 123.91 3k6e s THR 19 Ca 0.53 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.60 3k6e s THR 19 Cb -0.22 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 3k6e s THR 19 CO 0.22 0.06 1.01 -2.84 -0.69 0.00 0.00 174.62 172.38 3k6e s PRO 20 N 2.04 4.38 0.32 4.92 0.02 -1.26 0.97 135.00 146.38 3k6e s PRO 20 Ca 0.13 1.45 0.09 0.00 0.02 0.00 0.00 61.00 62.69 3k6e s PRO 20 Cb -0.16 -2.70 0.91 0.00 0.02 0.00 0.00 34.50 32.58 3k6e s PRO 20 CO 0.11 0.07 1.66 0.00 -0.33 0.00 0.00 177.00 178.51 3k6e h ALA 21 N 2.88 1.65 -0.43 -1.55 0.00 -0.65 -2.93 119.26 118.24 3k6e h ALA 21 Ca -0.48 0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.72 3k6e h ALA 21 Cb 1.20 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 3k6e h ALA 21 CO 0.64 -0.50 -0.18 0.87 0.00 0.00 0.00 179.25 180.07 3k6e h LYS 22 N 0.30 -0.09 -4.42 0.00 1.79 -1.91 -3.09 116.57 109.15 3k6e h LYS 22 Ca 0.65 0.01 -0.71 0.00 -2.18 0.00 0.00 60.65 58.42 3k6e h LYS 22 Cb 1.40 0.02 -0.31 0.00 -1.58 0.00 0.00 32.23 31.76 3k6e h LYS 22 CO -0.62 -0.06 -0.48 1.21 -1.08 0.00 0.00 179.45 178.43 3k6e s ASN 23 N -5.16 5.50 0.00 0.86 3.84 -1.11 -4.97 114.94 113.91 3k6e s ASN 23 Ca -0.14 -1.83 0.00 0.00 0.21 0.00 0.00 52.86 51.10 3k6e s ASN 23 Cb 0.15 -1.93 0.00 0.00 -0.55 0.00 0.00 41.25 38.92 3k6e s ASN 23 CO 0.70 -0.59 0.00 -0.11 -2.79 0.00 0.00 177.10 174.32 3k6e n LEU 24 N 4.79 0.00 -4.70 3.21 7.94 -1.17 -4.58 117.00 122.49 3k6e n LEU 24 Ca -0.07 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.41 3k6e n LEU 24 Cb 0.42 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 3k6e n LEU 24 CO 0.38 0.00 0.77 0.00 -1.11 0.00 0.00 177.39 177.43 3k6e s ALA 25 N 0.00 3.29 0.38 1.96 0.00 -1.26 -4.94 121.76 121.18 3k6e s ALA 25 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3k6e s ALA 25 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3k6e s ALA 25 CO 0.00 -0.39 0.08 1.33 0.00 0.00 0.00 175.76 176.78 3k6e n VAL 26 N 4.08 0.00 -4.26 0.00 0.24 -1.26 -4.60 118.33 112.53 3k6e n VAL 26 Ca 0.08 -2.03 -0.18 0.00 -2.04 0.00 0.00 64.34 60.16 3k6e n VAL 26 Cb 0.49 0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 33.36 3k6e n VAL 26 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3k6e s LEU 27 N 0.00 2.43 -0.11 1.34 1.43 -0.58 -5.00 118.68 118.19 3k6e s LEU 27 Ca 0.11 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3k6e s LEU 27 Cb 0.01 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.60 3k6e s LEU 27 CO 0.08 -0.15 0.26 -0.63 0.23 0.00 0.00 176.35 176.15 3k6e s ILE 28 N -2.29 5.30 -0.72 -0.59 -1.09 -1.25 -0.40 121.20 120.16 3k6e s ILE 28 Ca 0.11 0.50 0.08 0.00 -2.23 0.00 0.00 60.65 59.11 3k6e s ILE 28 Cb -0.04 -3.57 0.08 0.00 -1.58 0.00 0.00 42.46 37.34 3k6e s ILE 28 CO 0.04 0.51 1.23 -0.90 -1.23 0.00 0.00 174.94 174.59 3k6e n ASP 29 N 2.66 0.20 -0.07 3.58 5.75 -1.12 -1.99 116.55 125.55 3k6e n ASP 29 Ca -0.15 0.59 0.01 0.00 -0.01 0.00 0.00 54.79 55.23 3k6e n ASP 29 Cb 0.53 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 3k6e n ASP 29 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k6e n THR 30 N -1.76 0.52 -2.60 2.12 -2.24 -1.26 -2.29 114.28 106.77 3k6e n THR 30 Ca -0.00 -0.76 -0.38 0.00 -2.27 0.00 0.00 64.05 60.64 3k6e n THR 30 Cb 0.01 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 3k6e n THR 30 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k6e s HIS 31 N -0.58 3.48 0.74 4.78 3.76 -0.84 -4.71 115.29 121.92 3k6e s HIS 31 Ca 0.02 1.70 -0.14 0.00 -0.15 0.00 0.00 55.06 56.50 3k6e s HIS 31 Cb 0.01 -3.10 0.05 0.00 1.11 0.00 0.00 32.58 30.65 3k6e s HIS 31 CO 0.02 -0.35 1.17 0.54 -0.85 0.00 0.00 174.74 175.27 3k6e s ASN 32 N -1.41 4.24 0.24 1.40 2.20 -1.26 -3.20 114.94 117.15 3k6e s ASN 32 Ca 0.52 2.21 0.06 0.00 -0.94 0.00 0.00 52.86 54.71 3k6e s ASN 32 Cb -0.23 -2.57 0.27 0.00 -2.00 0.00 0.00 41.25 36.72 3k6e s ASN 32 CO 0.30 -2.22 1.57 0.00 -2.94 0.00 0.00 177.10 173.80 3k6e h ALA 33 N -0.52 0.88 0.03 3.54 0.00 -0.88 -2.41 119.26 119.89 3k6e h ALA 33 Ca -0.46 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 3k6e h ALA 33 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k6e h ALA 33 CO 0.50 0.74 -0.01 0.22 0.00 0.00 0.00 179.25 180.70 3k6e h ASP 34 N 0.13 -0.03 -0.61 0.00 3.58 -1.89 -2.04 116.42 115.56 3k6e h ASP 34 Ca -0.01 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 3k6e h ASP 34 Cb 1.11 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 3k6e h ASP 34 CO 0.09 0.07 0.11 -0.74 -2.88 0.00 0.00 179.24 175.89 3k6e h HIS 35 N -0.14 1.08 0.00 0.28 2.76 -1.92 -1.90 115.15 115.31 3k6e h HIS 35 Ca -0.00 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 57.96 3k6e h HIS 35 Cb 0.13 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3k6e h HIS 35 CO -0.04 0.91 -0.31 0.00 -1.30 0.00 0.00 177.93 177.19 3k6e h ALA 36 N 1.14 1.48 -0.55 5.26 0.00 -1.31 -1.96 119.26 123.32 3k6e h ALA 36 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k6e h ALA 36 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3k6e h ALA 36 CO 0.01 0.38 0.32 1.15 0.00 0.00 0.00 179.25 181.11 3k6e h THR 37 N 0.00 1.17 -0.31 0.00 2.02 -0.61 0.51 112.91 115.69 3k6e h THR 37 Ca -0.00 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3k6e h THR 37 Cb 0.55 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3k6e h THR 37 CO 0.04 0.18 0.21 0.25 0.37 0.00 0.00 175.52 176.57 3k6e h LEU 38 N 0.74 0.21 0.14 2.58 5.85 -0.97 -1.99 115.31 121.87 3k6e h LEU 38 Ca 0.20 -0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.67 3k6e h LEU 38 Cb 0.01 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3k6e h LEU 38 CO -0.03 0.15 -1.17 -0.07 -0.34 0.00 0.00 178.44 176.97 3k6e h LEU 39 N 0.25 0.45 -1.29 2.25 4.07 -0.44 -3.30 115.31 117.30 3k6e h LEU 39 Ca 0.13 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3k6e h LEU 39 Cb 0.22 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3k6e h LEU 39 CO -0.03 1.53 0.00 -0.07 -1.08 0.00 0.00 178.44 178.80 3k6e h LEU 40 N -0.30 0.00 -0.05 1.67 3.38 -0.86 -2.10 115.31 117.05 3k6e h LEU 40 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3k6e h LEU 40 Cb 1.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3k6e h LEU 40 CO 0.11 0.00 -0.04 -1.54 0.09 0.00 0.00 178.44 177.06 3k6e n SER 41 N -2.89 0.13 -2.46 -0.43 3.41 -0.76 -4.86 113.62 105.76 3k6e n SER 41 Ca 0.01 -0.18 -0.31 0.00 -0.26 0.00 0.00 58.87 58.12 3k6e n SER 41 Cb 0.29 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3k6e n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k6e n GLN 42 N -1.24 3.15 -0.05 4.33 1.13 -0.79 -5.10 117.38 118.81 3k6e n GLN 42 Ca 0.13 -3.92 -0.06 0.00 -1.94 0.00 0.00 57.00 51.21 3k6e n GLN 42 Cb 0.26 -2.27 -0.06 0.00 0.11 0.00 0.00 30.24 28.28 3k6e n GLN 42 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3k6e n THR 44 N -0.64 0.61 -3.45 5.09 -1.04 -1.26 -5.13 114.28 108.46 3k6e n THR 44 Ca 0.49 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.05 61.88 3k6e n THR 44 Cb 0.62 -0.84 -0.05 0.00 -1.82 0.00 0.00 70.33 68.24 3k6e n THR 44 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3k6e s TYR 45 N -2.21 3.46 -0.20 -1.42 2.02 -1.26 -5.00 117.35 112.73 3k6e s TYR 45 Ca -0.10 0.86 0.19 0.00 -0.37 0.00 0.00 57.07 57.65 3k6e s TYR 45 Cb 0.03 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3k6e s TYR 45 CO 0.29 0.32 1.06 1.79 -1.57 0.00 0.00 175.55 177.44 3k6e h THR 46 N 2.14 0.29 -4.08 -0.71 1.35 -1.96 -3.45 112.91 106.49 3k6e h THR 46 Ca -0.47 -1.52 -0.49 0.00 -0.55 0.00 0.00 66.41 63.39 3k6e h THR 46 Cb 1.17 1.85 -0.25 0.00 -1.73 0.00 0.00 68.15 69.20 3k6e h THR 46 CO 0.69 0.16 -0.81 -0.13 -0.25 0.00 0.00 175.52 175.19 3k6e s ARG 47 N -3.14 1.07 0.11 4.72 0.52 -1.26 -4.08 118.95 116.89 3k6e s ARG 47 Ca -0.00 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 3k6e s ARG 47 Cb 0.09 -1.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.40 3k6e s ARG 47 CO 0.78 0.28 -0.16 0.14 0.02 0.00 0.00 175.30 176.37 3k6e s VAL 48 N -0.82 1.39 0.37 3.52 -7.23 -0.36 -4.96 120.40 112.31 3k6e s VAL 48 Ca 0.03 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 3k6e s VAL 48 Cb -0.08 -1.45 -0.11 0.00 0.56 0.00 0.00 36.38 35.31 3k6e s VAL 48 CO 0.01 -0.30 1.43 -2.84 -0.31 0.00 0.00 175.10 173.09 3k6e s PRO 49 N -2.31 4.15 -0.13 4.82 0.02 -1.26 -1.84 135.00 138.44 3k6e s PRO 49 Ca 0.06 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 3k6e s PRO 49 Cb -0.07 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 3k6e s PRO 49 CO 0.03 -0.45 -0.03 0.08 -0.33 0.00 0.00 177.00 176.30 3k6e s VAL 50 N -1.14 3.96 -0.02 3.83 1.01 0.12 -1.53 120.40 126.65 3k6e s VAL 50 Ca 0.52 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3k6e s VAL 50 Cb -0.44 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3k6e s VAL 50 CO 0.60 0.53 0.22 0.54 0.00 0.00 0.00 175.10 176.98 3k6e s VAL 51 N -0.03 0.06 0.00 2.92 0.11 0.47 -0.92 120.40 123.00 3k6e s VAL 51 Ca 0.02 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 3k6e s VAL 51 Cb -0.13 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3k6e s VAL 51 CO 0.02 -0.27 0.00 1.07 -3.33 0.00 0.00 175.10 172.59 3k6e n THR 52 N 1.64 0.00 -3.15 5.04 5.66 0.87 -2.80 114.28 121.55 3k6e n THR 52 Ca -0.21 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.85 3k6e n THR 52 Cb 0.56 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 3k6e n THR 52 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3k6e s ASP 53 N -0.02 -0.31 -0.27 1.09 1.01 -1.26 -4.32 116.67 112.60 3k6e s ASP 53 Ca 0.00 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.41 3k6e s ASP 53 Cb 0.00 1.26 -0.11 0.00 1.01 0.00 0.00 42.92 45.08 3k6e s ASP 53 CO 0.00 -0.06 2.05 0.29 0.21 0.00 0.00 175.17 177.66 3k6e n LYS 55 N 5.47 1.29 -1.75 8.23 5.02 -1.26 -5.03 118.16 130.14 3k6e n LYS 55 Ca -0.07 -0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 55.01 3k6e n LYS 55 Cb 0.54 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3k6e n LYS 55 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k6e n GLN 56 N 3.25 2.63 -2.36 1.97 1.13 -1.26 -2.61 117.38 120.13 3k6e n GLN 56 Ca 0.28 0.93 -0.41 0.00 -1.94 0.00 0.00 57.00 55.85 3k6e n GLN 56 Cb 0.35 -2.69 -0.03 0.00 0.11 0.00 0.00 30.24 27.98 3k6e n GLN 56 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3k6e s PHE 57 N -0.29 3.41 -0.14 1.08 5.36 0.19 -0.09 117.98 127.49 3k6e s PHE 57 Ca 0.62 1.34 -0.13 0.00 -0.96 0.00 0.00 56.93 57.80 3k6e s PHE 57 Cb -0.50 -3.46 -0.06 0.00 -0.34 0.00 0.00 43.02 38.66 3k6e s PHE 57 CO 0.52 -1.36 -0.26 0.28 -1.46 0.00 0.00 175.22 172.94 3k6e n VAL 58 N 3.05 1.34 -2.24 3.12 0.31 -0.10 -4.88 118.33 118.93 3k6e n VAL 58 Ca 0.06 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3k6e n VAL 58 Cb 0.45 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3k6e n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k6e n GLY 59 N 1.88 -0.60 3.41 2.92 0.00 -0.99 -4.73 105.19 107.09 3k6e n GLY 59 Ca -0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3k6e n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k6e s THR 60 N -3.32 1.47 -0.22 2.61 -4.23 0.14 0.15 115.64 112.24 3k6e s THR 60 Ca 0.00 -2.09 -0.26 0.00 -1.18 0.00 0.00 61.69 58.16 3k6e s THR 60 Cb 0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.43 3k6e s THR 60 CO 0.00 -0.26 0.71 -0.51 -0.54 0.00 0.00 174.62 174.02 3k6e s ILE 61 N -3.12 0.00 0.31 2.99 2.07 -0.77 -0.68 121.20 121.99 3k6e s ILE 61 Ca 0.30 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.57 3k6e s ILE 61 Cb 0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 3k6e s ILE 61 CO 0.12 -0.00 0.29 -0.83 -1.91 0.00 0.00 174.94 172.61 3k6e s GLY 62 N 0.06 1.96 0.36 1.50 0.00 -1.26 -1.22 107.32 108.71 3k6e s GLY 62 Ca -0.02 -1.87 0.12 0.00 0.00 0.00 0.00 44.72 42.95 3k6e s GLY 62 CO 0.03 -1.35 1.79 1.41 0.00 0.00 0.00 173.10 174.98 3k6e h LEU 63 N 2.23 0.60 -0.59 0.66 3.38 -1.94 0.69 115.31 120.35 3k6e h LEU 63 Ca -0.28 0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.90 3k6e h LEU 63 Cb 1.24 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 3k6e h LEU 63 CO 0.40 0.19 -0.12 -0.09 0.09 0.00 0.00 178.44 178.91 3k6e h ARG 64 N 0.57 0.02 -0.29 1.13 2.43 -1.96 -2.52 114.38 113.76 3k6e h ARG 64 Ca 0.56 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.58 3k6e h ARG 64 Cb 1.14 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3k6e h ARG 64 CO -0.32 0.01 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.30 3k6e h ASP 65 N 0.02 0.87 0.00 -3.80 3.32 -1.28 -0.49 116.42 115.05 3k6e h ASP 65 Ca 0.29 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3k6e h ASP 65 Cb 0.45 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3k6e h ASP 65 CO -0.59 1.21 0.00 -0.38 -1.72 0.00 0.00 179.24 177.76 3k6e n ILE 66 N -4.14 0.14 0.00 0.35 5.41 -0.82 -2.01 119.36 118.29 3k6e n ILE 66 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3k6e n ILE 66 Cb 0.55 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 3k6e n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k6e n ALA 68 N 0.33 0.00 -0.20 -1.39 0.00 -0.19 -1.50 120.51 117.55 3k6e n ALA 68 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3k6e n ALA 68 Cb 0.18 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.74 3k6e n ALA 68 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3k6e h TYR 69 N 0.00 0.28 0.00 0.00 3.20 -1.65 0.33 116.97 119.13 3k6e h TYR 69 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k6e h TYR 69 Cb 0.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3k6e h TYR 69 CO 0.00 0.02 0.00 0.94 -1.64 0.00 0.00 178.16 177.48 3k6e n GLN 70 N -5.08 0.66 0.00 1.82 7.27 -0.56 -2.59 117.38 118.89 3k6e n GLN 70 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 3k6e n GLN 70 Cb 0.31 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.66 3k6e n GLN 70 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3k6e n GLU 72 N 0.26 0.00 0.00 3.69 1.02 0.11 -0.72 120.64 125.00 3k6e n GLU 72 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3k6e n GLU 72 Cb 0.19 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.61 3k6e n GLU 72 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3k6e n HIS 73 N 0.00 0.00 -3.43 -0.32 8.25 -1.07 -5.05 115.22 113.59 3k6e n HIS 73 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3k6e n HIS 73 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3k6e n HIS 73 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3k6e n ASP 74 N -0.30 -6.29 -4.45 0.41 2.03 0.10 -4.99 116.55 103.06 3k6e n ASP 74 Ca 0.03 -0.59 -0.33 0.00 0.52 0.00 0.00 54.79 54.43 3k6e n ASP 74 Cb 0.16 -3.74 -0.13 0.00 -0.72 0.00 0.00 41.12 36.68 3k6e n ASP 74 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k6e s LEU 75 N -4.90 2.68 1.05 -2.67 1.43 -0.94 -5.12 118.68 110.21 3k6e s LEU 75 Ca 0.12 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3k6e s LEU 75 Cb -0.04 -1.54 0.19 0.00 0.03 0.00 0.00 46.19 44.83 3k6e s LEU 75 CO 0.82 0.32 0.90 -1.54 0.23 0.00 0.00 176.35 177.08 3k6e n SER 76 N 2.48 -1.05 0.25 2.29 3.41 -1.26 -4.89 113.62 114.85 3k6e n SER 76 Ca -0.17 0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.64 3k6e n SER 76 Cb 0.52 -1.31 0.64 0.00 -0.26 0.00 0.00 64.21 63.81 3k6e n SER 76 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3k6e h GLN 77 N -2.21 0.00 -0.43 4.33 1.08 -2.01 -2.64 115.11 113.22 3k6e h GLN 77 Ca -0.52 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 3k6e h GLN 77 Cb 1.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 3k6e h GLN 77 CO 0.43 0.06 0.18 1.49 -0.95 0.00 0.00 178.83 180.05 3k6e h GLU 78 N 0.00 0.64 -1.50 1.46 4.81 -2.05 -2.09 114.58 115.84 3k6e h GLU 78 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3k6e h GLU 78 Cb 0.12 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3k6e h GLU 78 CO 0.01 0.58 0.00 -0.89 -0.73 0.00 0.00 179.01 177.98 3k6e n ILE 79 N -4.63 0.36 0.00 2.32 2.08 -1.00 -3.66 119.36 114.83 3k6e n ILE 79 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3k6e n ILE 79 Cb 0.14 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 3k6e n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k6e n ALA 81 N 0.76 0.00 -1.36 -1.39 0.00 -0.79 -2.98 120.51 114.76 3k6e n ALA 81 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3k6e n ALA 81 Cb 0.19 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.77 3k6e n ALA 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k6e n ASP 82 N 0.00 1.89 -3.97 0.00 2.03 -1.24 -4.79 116.55 110.47 3k6e n ASP 82 Ca 0.00 -3.14 -0.29 0.00 0.52 0.00 0.00 54.79 51.88 3k6e n ASP 82 Cb 0.00 -0.43 -0.16 0.00 -0.72 0.00 0.00 41.12 39.81 3k6e n ASP 82 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3k6e s THR 83 N -2.55 1.44 0.49 5.18 2.01 -1.16 -5.03 115.64 116.02 3k6e s THR 83 Ca 0.30 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 3k6e s THR 83 Cb 0.28 -1.46 -0.08 0.00 0.01 0.00 0.00 72.50 71.25 3k6e s THR 83 CO -0.01 0.30 1.06 0.47 -0.69 0.00 0.00 174.62 175.75 3k6e n ASP 84 N 4.79 1.40 0.16 3.53 8.00 -1.26 -0.21 116.55 132.95 3k6e n ASP 84 Ca -0.15 0.97 0.03 0.00 0.71 0.00 0.00 54.79 56.35 3k6e n ASP 84 Cb 0.49 -1.40 0.25 0.00 -0.02 0.00 0.00 41.12 40.43 3k6e n ASP 84 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k6e h ILE 85 N 1.30 1.11 -0.28 0.53 2.04 -1.59 -3.16 117.51 117.45 3k6e h ILE 85 Ca -0.47 -1.83 0.08 0.00 1.00 0.00 0.00 64.86 63.64 3k6e h ILE 85 Cb 1.34 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3k6e h ILE 85 CO 0.55 0.48 0.36 1.62 0.00 0.00 0.00 178.15 181.16 3k6e h VAL 86 N 0.00 0.34 0.00 1.67 3.04 -1.79 -1.09 116.25 118.42 3k6e h VAL 86 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3k6e h VAL 86 Cb 1.02 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3k6e h VAL 86 CO 0.06 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 178.03 3k6e n HIS 87 N -3.61 0.00 -1.91 3.17 8.25 -1.20 -4.87 115.22 115.05 3k6e n HIS 87 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3k6e n HIS 87 Cb 0.50 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3k6e n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3k6e n THR 89 N -0.01 -7.07 -2.17 1.59 -1.04 -0.42 -5.10 114.28 100.07 3k6e n THR 89 Ca 0.00 2.42 -0.41 0.00 -2.04 0.00 0.00 64.05 64.01 3k6e n THR 89 Cb 0.09 -3.47 -0.03 0.00 -1.82 0.00 0.00 70.33 65.11 3k6e n THR 89 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3k6e s LYS 90 N -1.30 3.16 -0.01 -2.82 2.20 0.14 -4.78 119.74 116.33 3k6e s LYS 90 Ca 0.00 0.87 0.21 0.00 -0.36 0.00 0.00 55.97 56.69 3k6e s LYS 90 Cb 0.00 -4.21 -0.25 0.00 -1.51 0.00 0.00 37.83 31.86 3k6e s LYS 90 CO 0.00 -2.08 0.78 0.25 -0.36 0.00 0.00 175.35 173.94 3k6e n THR 91 N 7.16 0.00 -0.67 3.43 -2.24 -1.26 -0.68 114.28 120.02 3k6e n THR 91 Ca 0.18 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.75 3k6e n THR 91 Cb 0.49 0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3k6e n THR 91 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k6e n ASP 92 N -1.73 5.67 -4.42 3.42 5.75 -1.26 -4.88 116.55 119.11 3k6e n ASP 92 Ca 0.02 -2.61 -0.29 0.00 -0.01 0.00 0.00 54.79 51.90 3k6e n ASP 92 Cb 0.40 -1.14 -0.12 0.00 -1.03 0.00 0.00 41.12 39.23 3k6e n ASP 92 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3k6e s VAL 93 N -0.60 2.39 0.42 2.12 -7.23 -1.26 -5.11 120.40 111.13 3k6e s VAL 93 Ca 0.15 -1.75 -0.26 0.00 -1.81 0.00 0.00 61.98 58.31 3k6e s VAL 93 Cb 0.10 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.87 3k6e s VAL 93 CO -0.01 0.06 1.40 0.00 -0.31 0.00 0.00 175.10 176.24 3k6e s ALA 94 N -1.17 3.32 0.04 1.32 0.00 -1.26 -5.03 121.76 118.99 3k6e s ALA 94 Ca 0.16 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.35 3k6e s ALA 94 Cb -0.10 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3k6e s ALA 94 CO 0.07 -1.05 0.42 0.54 0.00 0.00 0.00 175.76 175.75 3k6e s VAL 95 N -1.20 0.05 0.10 0.00 0.11 -1.26 -4.36 120.40 113.85 3k6e s VAL 95 Ca 0.58 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 3k6e s VAL 95 Cb -0.43 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 3k6e s VAL 95 CO 0.56 -0.24 -0.11 0.68 -3.33 0.00 0.00 175.10 172.66 3k6e s VAL 96 N -2.39 1.04 0.58 2.04 -7.23 -0.49 -5.01 120.40 108.94 3k6e s VAL 96 Ca -0.06 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 3k6e s VAL 96 Cb -0.01 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 3k6e s VAL 96 CO -0.02 -0.48 1.02 -0.94 -0.31 0.00 0.00 175.10 174.36 3k6e s SER 97 N -2.34 6.32 0.00 4.85 1.04 -1.26 -1.48 113.70 120.83 3k6e s SER 97 Ca 0.05 1.51 0.15 0.00 0.48 0.00 0.00 55.95 58.14 3k6e s SER 97 Cb -0.04 -2.49 0.77 0.00 0.10 0.00 0.00 66.02 64.35 3k6e s SER 97 CO 0.01 -0.80 1.39 -2.65 0.98 0.00 0.00 173.24 172.16 3k6e n PRO 98 N -2.27 0.26 -2.00 4.02 -0.02 -1.25 -2.32 135.00 131.42 3k6e n PRO 98 Ca 0.06 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 3k6e n PRO 98 Cb 0.54 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.55 3k6e n PRO 98 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k6e n ASP 99 N -1.23 6.78 -4.74 2.55 9.92 -1.26 -5.05 116.55 123.52 3k6e n ASP 99 Ca 0.08 -3.80 -0.34 0.00 -0.53 0.00 0.00 54.79 50.19 3k6e n ASP 99 Cb 0.10 -0.89 0.08 0.00 -0.64 0.00 0.00 41.12 39.77 3k6e n ASP 99 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3k6e s PHE 100 N -3.91 2.22 0.08 1.24 -0.71 -0.98 -5.05 117.98 110.87 3k6e s PHE 100 Ca 0.52 1.58 0.03 0.00 -1.04 0.00 0.00 56.93 58.02 3k6e s PHE 100 Cb 0.44 -3.39 -0.04 0.00 -1.21 0.00 0.00 43.02 38.81 3k6e s PHE 100 CO -0.31 -2.34 0.10 0.95 -1.34 0.00 0.00 175.22 172.28 3k6e s THR 101 N -2.05 4.65 0.18 -4.49 -4.23 -1.26 -5.05 115.64 103.38 3k6e s THR 101 Ca 0.72 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 3k6e s THR 101 Cb -0.27 -3.25 0.09 0.00 1.34 0.00 0.00 72.50 70.41 3k6e s THR 101 CO 0.43 0.11 1.73 0.40 -0.54 0.00 0.00 174.62 176.75 3k6e h ILE 102 N 2.47 1.24 0.05 2.99 2.04 -2.00 -2.91 117.51 121.39 3k6e h ILE 102 Ca -0.47 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3k6e h ILE 102 Cb 1.16 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3k6e h ILE 102 CO 0.67 0.31 -0.41 0.74 0.00 0.00 0.00 178.15 179.46 3k6e h THR 103 N 0.92 0.00 -0.75 -0.27 2.02 -1.99 -1.09 112.91 111.75 3k6e h THR 103 Ca 0.21 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.49 3k6e h THR 103 Cb 0.25 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.55 3k6e h THR 103 CO -0.01 0.00 -0.35 -0.62 0.37 0.00 0.00 175.52 174.91 3k6e n GLU 104 N -4.77 -0.24 0.16 6.66 1.02 -1.20 -0.74 120.64 121.53 3k6e n GLU 104 Ca -0.06 1.14 -0.10 0.00 -0.02 0.00 0.00 57.16 58.12 3k6e n GLU 104 Cb 0.31 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 3k6e n GLU 104 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3k6e h VAL 105 N 0.00 0.00 -0.93 2.62 2.07 -1.13 0.34 116.25 119.22 3k6e h VAL 105 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 3k6e h VAL 105 Cb 0.39 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 3k6e h VAL 105 CO -0.72 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 177.39 3k6e h LEU 106 N -0.53 0.80 -0.65 2.57 4.07 -0.85 -0.39 115.31 120.33 3k6e h LEU 106 Ca -0.03 0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3k6e h LEU 106 Cb 0.46 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 3k6e h LEU 106 CO -0.03 0.44 -0.53 -0.74 -1.08 0.00 0.00 178.44 176.50 3k6e h HIS 107 N 0.87 0.48 0.00 1.13 -0.00 -0.43 -3.09 115.15 114.11 3k6e h HIS 107 Ca 0.45 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 3k6e h HIS 107 Cb 0.53 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 3k6e h HIS 107 CO -0.00 0.84 -0.10 0.87 -0.00 0.00 0.00 177.93 179.53 3k6e h LYS 108 N 0.30 0.00 -0.08 5.26 1.57 0.90 -3.19 116.57 121.33 3k6e h LYS 108 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3k6e h LYS 108 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3k6e h LYS 108 CO 0.09 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 3k6e n LEU 109 N -2.82 0.93 0.09 2.94 4.77 -0.28 -3.13 117.00 119.50 3k6e n LEU 109 Ca 0.04 -0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 55.60 3k6e n LEU 109 Cb 0.50 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3k6e n LEU 109 CO 0.34 0.19 0.27 0.58 -1.33 0.00 0.00 177.39 177.43 3k6e h VAL 110 N 1.27 1.60 0.04 4.08 2.07 -1.61 -3.38 116.25 120.32 3k6e h VAL 110 Ca 0.00 -2.95 -0.36 0.00 0.82 0.00 0.00 66.70 64.21 3k6e h VAL 110 Cb 0.28 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3k6e h VAL 110 CO 0.00 0.84 -2.03 0.47 0.02 0.00 0.00 177.57 176.86 3k6e n ASP 111 N -3.50 1.99 -4.63 0.57 8.00 -1.18 -4.98 116.55 112.82 3k6e n ASP 111 Ca -0.00 0.21 -0.27 0.00 0.71 0.00 0.00 54.79 55.44 3k6e n ASP 111 Cb 0.82 -0.78 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 3k6e n ASP 111 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3k6e s GLU 112 N -2.49 2.29 0.32 -1.24 -1.05 -1.23 -5.03 118.70 110.27 3k6e s GLU 112 Ca -0.30 -1.16 0.26 0.00 -0.15 0.00 0.00 54.97 53.62 3k6e s GLU 112 Cb 0.09 -2.29 0.88 0.00 -0.44 0.00 0.00 34.13 32.36 3k6e s GLU 112 CO 0.63 0.45 1.76 0.66 0.95 0.00 0.00 175.26 179.71 3k6e h SER 113 N 2.78 0.00 -5.06 0.83 4.64 -1.92 -3.41 113.55 111.41 3k6e h SER 113 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3k6e h SER 113 Cb 1.20 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 3k6e h SER 113 CO 0.57 0.00 -0.01 0.72 -0.87 0.00 0.00 176.83 177.24 3k6e s PHE 114 N -3.28 -0.26 -0.27 4.77 -0.12 -1.26 -0.74 117.98 116.81 3k6e s PHE 114 Ca 0.06 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 3k6e s PHE 114 Cb 0.10 0.33 0.07 0.00 -0.63 0.00 0.00 43.02 42.88 3k6e s PHE 114 CO 0.54 -0.75 -0.06 -1.17 -0.05 0.00 0.00 175.22 173.73 3k6e s LEU 115 N -2.80 3.57 0.16 -1.99 2.96 0.19 -4.90 118.68 115.87 3k6e s LEU 115 Ca 0.03 -1.53 -0.32 0.00 -0.22 0.00 0.00 54.13 52.09 3k6e s LEU 115 Cb 0.01 -1.49 -0.11 0.00 0.50 0.00 0.00 46.19 45.09 3k6e s LEU 115 CO -0.11 -0.24 1.78 -2.65 -1.32 0.00 0.00 176.35 173.80 3k6e n PRO 116 N 4.44 2.77 -3.90 0.98 -0.02 -1.26 -0.59 135.00 137.42 3k6e n PRO 116 Ca -0.10 1.00 -0.35 0.00 -2.02 0.00 0.00 63.50 62.04 3k6e n PRO 116 Cb 0.42 -2.87 -0.14 0.00 -0.02 0.00 0.00 33.50 30.89 3k6e n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k6e s VAL 117 N 1.97 3.08 0.01 -1.45 1.01 0.75 -1.40 120.40 124.37 3k6e s VAL 117 Ca 0.79 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3k6e s VAL 117 Cb -0.50 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3k6e s VAL 117 CO 0.35 -0.03 -0.15 0.68 0.00 0.00 0.00 175.10 175.96 3k6e s VAL 118 N 1.30 1.15 0.56 2.92 -7.23 -0.55 -0.16 120.40 118.39 3k6e s VAL 118 Ca -0.03 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 3k6e s VAL 118 Cb -0.19 -0.99 -0.13 0.00 0.56 0.00 0.00 36.38 35.63 3k6e s VAL 118 CO -0.01 0.22 -0.05 0.47 -0.31 0.00 0.00 175.10 175.42 3k6e n ASP 119 N 2.42 -3.33 -0.25 4.85 9.92 0.39 -3.82 116.55 126.73 3k6e n ASP 119 Ca -0.16 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 3k6e n ASP 119 Cb 0.55 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 3k6e n ASP 119 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k6e n ALA 120 N -1.66 1.73 -1.92 2.24 0.00 -1.26 -2.25 120.51 117.38 3k6e n ALA 120 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3k6e n ALA 120 Cb 0.48 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.99 3k6e n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k6e n GLU 121 N -0.09 0.42 -0.04 0.00 1.02 -1.26 -5.01 120.64 115.68 3k6e n GLU 121 Ca 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3k6e n GLU 121 Cb 0.05 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 3k6e n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k6e n GLY 122 N -0.25 1.61 3.64 0.62 0.00 -0.96 -5.01 105.19 104.84 3k6e n GLY 122 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3k6e n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k6e s ILE 123 N -2.60 4.88 0.13 -0.61 -1.09 -1.26 0.53 121.20 121.18 3k6e s ILE 123 Ca 0.00 1.48 -0.31 0.00 -2.23 0.00 0.00 60.65 59.58 3k6e s ILE 123 Cb 0.00 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 3k6e s ILE 123 CO 0.00 -0.03 1.65 0.12 -1.23 0.00 0.00 174.94 175.44 3k6e s PHE 124 N 2.65 2.71 0.00 3.97 5.36 -1.07 -0.46 117.98 131.14 3k6e s PHE 124 Ca 0.33 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 3k6e s PHE 124 Cb -0.15 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 3k6e s PHE 124 CO 0.08 -3.85 0.02 0.94 -1.46 0.00 0.00 175.22 170.95 3k6e n GLN 125 N 4.75 5.58 -3.18 10.12 7.27 0.77 -4.84 117.38 137.84 3k6e n GLN 125 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3k6e n GLN 125 Cb 0.39 -0.46 0.00 0.00 2.41 0.00 0.00 30.24 32.58 3k6e n GLN 125 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k6e n GLY 126 N 0.80 -0.69 3.22 1.69 0.00 -1.03 0.10 105.19 109.28 3k6e n GLY 126 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 3k6e n GLY 126 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k6e s ILE 127 N -2.85 0.08 -0.26 -0.61 -4.36 0.27 -0.18 121.20 113.29 3k6e s ILE 127 Ca 0.00 -0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 59.64 3k6e s ILE 127 Cb 0.00 -0.80 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 3k6e s ILE 127 CO 0.00 -0.38 0.06 -0.63 0.24 0.00 0.00 174.94 174.23 3k6e s ILE 128 N -2.12 4.04 0.28 8.37 -1.09 0.24 0.39 121.20 131.31 3k6e s ILE 128 Ca -0.08 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3k6e s ILE 128 Cb -0.03 -2.96 -0.07 0.00 -1.58 0.00 0.00 42.46 37.82 3k6e s ILE 128 CO -0.01 0.25 0.61 0.42 -1.23 0.00 0.00 174.94 174.98 3k6e s THR 129 N 1.55 4.88 0.31 2.92 -4.23 -1.26 0.53 115.64 120.33 3k6e s THR 129 Ca 0.05 0.51 0.07 0.00 -1.18 0.00 0.00 61.69 61.14 3k6e s THR 129 Cb -0.16 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.33 3k6e s THR 129 CO 0.02 -0.19 1.73 0.03 -0.54 0.00 0.00 174.62 175.67 3k6e h ARG 130 N 2.18 0.56 -0.80 3.99 3.08 -1.27 -1.93 114.38 120.18 3k6e h ARG 130 Ca -0.47 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.60 3k6e h ARG 130 Cb 1.18 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 3k6e h ARG 130 CO 0.67 0.37 0.49 -0.22 -1.07 0.00 0.00 179.97 180.21 3k6e h LYS 131 N 0.57 0.87 -0.22 0.04 3.64 -1.93 -0.56 116.57 118.98 3k6e h LYS 131 Ca 0.60 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3k6e h LYS 131 Cb 1.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3k6e h LYS 131 CO -0.47 0.58 0.13 0.77 -2.27 0.00 0.00 179.45 178.19 3k6e h SER 132 N 0.90 0.27 0.50 4.20 0.02 -1.71 -0.84 113.55 116.88 3k6e h SER 132 Ca 0.35 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 3k6e h SER 132 Cb 0.17 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3k6e h SER 132 CO -0.17 0.25 -0.51 0.40 -1.14 0.00 0.00 176.83 175.66 3k6e h ILE 133 N 0.26 1.37 -0.19 3.27 2.04 -1.31 -2.57 117.51 120.38 3k6e h ILE 133 Ca 0.08 -1.75 -0.11 0.00 1.00 0.00 0.00 64.86 64.08 3k6e h ILE 133 Cb 0.03 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3k6e h ILE 133 CO -0.01 0.50 -0.36 0.25 0.00 0.00 0.00 178.15 178.53 3k6e h LEU 134 N 0.01 0.42 -0.93 1.44 5.85 -0.37 -2.04 115.31 119.69 3k6e h LEU 134 Ca -0.00 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 3k6e h LEU 134 Cb 0.91 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3k6e h LEU 134 CO 0.07 0.75 0.07 0.11 -0.34 0.00 0.00 178.44 179.10 3k6e h LYS 135 N 0.35 0.85 0.66 1.25 1.57 -0.79 -0.93 116.57 119.53 3k6e h LYS 135 Ca 0.04 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3k6e h LYS 135 Cb 0.79 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.99 3k6e h LYS 135 CO 0.06 0.81 -0.32 0.00 -0.57 0.00 0.00 179.45 179.43 3k6e h ALA 136 N 1.27 -1.18 -0.77 3.86 0.00 -1.17 -1.71 119.26 119.57 3k6e h ALA 136 Ca 0.17 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3k6e h ALA 136 Cb 0.38 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 3k6e h ALA 136 CO 0.01 -1.12 -0.23 0.28 0.00 0.00 0.00 179.25 178.20 3k6e n VAL 137 N -4.48 -0.35 -0.00 0.00 0.31 -0.80 -0.26 118.33 112.74 3k6e n VAL 137 Ca -0.11 1.77 -0.01 0.00 -0.01 0.00 0.00 64.34 65.98 3k6e n VAL 137 Cb 0.35 -2.41 0.26 0.00 -0.91 0.00 0.00 33.84 31.13 3k6e n VAL 137 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3k6e h ASN 138 N 0.00 0.50 1.25 4.52 -1.24 -0.94 -2.64 115.58 117.03 3k6e h ASN 138 Ca 0.33 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3k6e h ASN 138 Cb 0.53 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.44 3k6e h ASN 138 CO -0.78 0.62 0.00 0.00 -1.29 0.00 0.00 177.43 175.98 3k6e h ALA 139 N 1.43 1.00 -0.08 1.57 0.00 0.32 -2.41 119.26 121.09 3k6e h ALA 139 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3k6e h ALA 139 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3k6e h ALA 139 CO 0.02 0.00 -0.49 1.25 0.00 0.00 0.00 179.25 180.04 3k6e h LEU 140 N 0.00 0.21 -0.13 0.00 5.85 -1.01 -3.19 115.31 117.03 3k6e h LEU 140 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3k6e h LEU 140 Cb 0.63 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3k6e h LEU 140 CO 0.00 0.67 -0.05 0.18 -0.34 0.00 0.00 178.44 178.90 3k6e n LEU 141 N -3.96 0.25 -3.80 2.25 4.77 -0.91 -4.36 117.00 111.24 3k6e n LEU 141 Ca -0.02 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 3k6e n LEU 141 Cb 0.53 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 3k6e n LEU 141 CO 0.42 0.05 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.20 3k6e s HIS 142 N -2.40 2.17 0.00 -1.77 3.76 -1.21 -5.14 115.29 110.70 3k6e s HIS 142 Ca 0.33 -2.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.23 3k6e s HIS 142 Cb 0.21 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.92 3k6e s HIS 142 CO 0.45 -0.89 0.00 -3.47 -0.85 0.00 0.00 174.74 169.98