#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h n LYS 2 N 0.00 0.52 0.00 1.61 4.81 -1.26 -5.02 118.16 118.82 1k8h n LYS 2 Ca 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1k8h n LYS 2 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1k8h n LYS 2 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1k8h n SER 3 N -4.46 -0.43 -1.43 3.14 3.41 -1.26 -4.94 113.62 107.65 1k8h n SER 3 Ca -0.13 -0.74 0.19 0.00 -0.26 0.00 0.00 58.87 57.93 1k8h n SER 3 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1k8h n SER 3 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k8h n ASP 4 N -2.87 -8.48 -1.10 4.04 9.92 -1.26 -4.82 116.55 111.98 1k8h n ASP 4 Ca 0.00 0.58 -0.01 0.00 -0.53 0.00 0.00 54.79 54.83 1k8h n ASP 4 Cb 0.00 -4.32 -0.01 0.00 -0.64 0.00 0.00 41.12 36.14 1k8h n ASP 4 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1k8h n LYS 5 N -4.21 0.00 -3.31 -1.24 0.00 -1.26 -5.11 118.16 103.03 1k8h n LYS 5 Ca 0.01 -1.34 -0.38 0.00 -0.00 0.00 0.00 58.31 56.60 1k8h n LYS 5 Cb 0.65 0.09 -0.06 0.00 -0.00 0.00 0.00 35.03 35.72 1k8h n LYS 5 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1k8h s ILE 6 N 0.00 4.96 -0.19 0.58 -4.36 -1.26 -4.65 121.20 116.28 1k8h s ILE 6 Ca 0.15 1.08 -0.03 0.00 -0.26 0.00 0.00 60.65 61.58 1k8h s ILE 6 Cb 0.17 -3.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.02 1k8h s ILE 6 CO -0.07 0.47 -0.05 -0.63 0.24 0.00 0.00 174.94 174.89 1k8h s ILE 7 N -0.43 3.49 0.24 8.37 1.09 -1.13 -5.04 121.20 127.80 1k8h s ILE 7 Ca 0.28 -0.47 -0.25 0.00 -1.10 0.00 0.00 60.65 59.10 1k8h s ILE 7 Cb -0.17 -2.55 -0.09 0.00 -1.06 0.00 0.00 42.46 38.59 1k8h s ILE 7 CO 0.15 0.46 0.84 -2.16 -0.10 0.00 0.00 174.94 174.13 1k8h s PRO 8 N 0.95 4.55 0.17 2.79 0.04 -1.26 -2.31 135.00 139.93 1k8h s PRO 8 Ca -0.00 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.22 1k8h s PRO 8 Cb -0.15 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1k8h s PRO 8 CO 0.01 0.44 0.09 0.42 0.04 0.00 0.00 177.00 178.00 1k8h s ILE 9 N -1.37 0.05 0.37 0.56 1.01 -0.96 -4.95 121.20 115.91 1k8h s ILE 9 Ca 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1k8h s ILE 9 Cb -0.21 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1k8h s ILE 9 CO 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 174.94 174.97 1k8h n ALA 10 N -0.19 -3.26 -3.65 9.38 0.00 -1.23 -2.23 120.51 119.33 1k8h n ALA 10 Ca -0.02 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 1k8h n ALA 10 Cb 0.65 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 1k8h n ALA 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1k8h s GLU 11 N -3.47 0.02 0.28 0.00 -1.05 -0.72 -4.53 118.70 109.24 1k8h s GLU 11 Ca 0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 54.97 54.63 1k8h s GLU 11 Cb 0.00 0.01 0.06 0.00 -0.44 0.00 0.00 34.13 33.76 1k8h s GLU 11 CO 0.00 -0.01 0.91 1.21 0.95 0.00 0.00 175.26 178.32 1k8h s ASN 12 N -1.03 -0.01 0.00 0.83 3.04 -1.25 -4.86 114.94 111.67 1k8h s ASN 12 Ca 0.10 -0.90 0.00 0.00 0.04 0.00 0.00 52.86 52.10 1k8h s ASN 12 Cb -0.01 0.68 0.00 0.00 -1.54 0.00 0.00 41.25 40.38 1k8h s ASN 12 CO -0.09 -1.34 0.00 1.17 -3.04 0.00 0.00 177.10 173.80 1k8h n LYS 13 N -0.61 0.00 -0.17 0.43 4.81 -1.26 -5.00 118.16 116.37 1k8h n LYS 13 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.36 1k8h n LYS 13 Cb 0.60 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.70 1k8h n LYS 13 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1k8h h GLU 14 N 0.00 0.03 -0.44 1.64 4.57 -1.99 -1.97 114.58 116.41 1k8h h GLU 14 Ca 0.00 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1k8h h GLU 14 Cb 0.00 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.49 1k8h h GLU 14 CO 0.00 0.02 -0.19 0.00 -1.18 0.00 0.00 179.01 177.66 1k8h h ALA 15 N 1.51 0.14 -0.55 2.92 0.00 -1.94 -1.51 119.26 119.84 1k8h h ALA 15 Ca 0.26 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.44 1k8h h ALA 15 Cb 0.40 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1k8h h ALA 15 CO -0.51 -0.54 -0.07 -0.22 0.00 0.00 0.00 179.25 177.91 1k8h h LYS 16 N -0.10 0.05 0.07 0.00 3.64 -1.42 1.43 116.57 120.23 1k8h h LYS 16 Ca 0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1k8h h LYS 16 Cb 0.43 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1k8h h LYS 16 CO -0.51 0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 176.67 1k8h h ALA 17 N 1.52 -0.93 0.00 5.00 0.00 -1.15 -3.17 119.26 120.54 1k8h h ALA 17 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k8h h ALA 17 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1k8h h ALA 17 CO -0.51 -0.92 0.00 1.63 0.00 0.00 0.00 179.25 179.45 1k8h n LYS 18 N -2.25 0.17 -3.93 0.00 5.02 -0.73 -4.55 118.16 111.90 1k8h n LYS 18 Ca -0.01 0.51 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1k8h n LYS 18 Cb 0.03 -1.91 -0.17 0.00 -0.02 0.00 0.00 35.03 32.97 1k8h n LYS 18 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k8h s TYR 19 N -3.41 0.57 -0.03 2.13 1.51 0.49 -2.43 117.35 116.17 1k8h s TYR 19 Ca 0.01 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 1k8h s TYR 19 Cb 0.08 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1k8h s TYR 19 CO 0.31 -0.23 1.30 0.34 -1.11 0.00 0.00 175.55 176.17 1k8h s ASP 20 N 1.40 6.95 0.11 2.29 2.15 -1.23 -3.63 116.67 124.70 1k8h s ASP 20 Ca -0.04 1.95 -0.30 0.00 0.43 0.00 0.00 52.55 54.59 1k8h s ASP 20 Cb -0.13 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 1k8h s ASP 20 CO -0.03 -0.66 1.10 -0.51 -0.17 0.00 0.00 175.17 174.90 1k8h s ILE 21 N 2.38 4.12 -0.01 4.11 2.07 -1.26 -2.54 121.20 130.08 1k8h s ILE 21 Ca 0.60 1.68 -0.01 0.00 -1.41 0.00 0.00 60.65 61.50 1k8h s ILE 21 Cb -0.28 -4.07 -0.00 0.00 0.13 0.00 0.00 42.46 38.24 1k8h s ILE 21 CO 0.24 0.22 -0.02 -0.11 -1.91 0.00 0.00 174.94 173.35 1k8h n LEU 22 N 3.08 0.19 -4.30 8.50 7.94 0.17 -4.99 117.00 127.59 1k8h n LEU 22 Ca 0.05 0.03 -0.19 0.00 -1.11 0.00 0.00 56.01 54.79 1k8h n LEU 22 Cb 0.47 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 44.03 1k8h n LEU 22 CO 0.54 -0.50 -0.45 -1.61 -1.11 0.00 0.00 177.39 174.26 1k8h s GLU 23 N -1.18 1.19 0.02 1.96 2.02 -1.26 -4.99 118.70 116.45 1k8h s GLU 23 Ca -0.02 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 53.60 1k8h s GLU 23 Cb 0.00 -1.05 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 1k8h s GLU 23 CO 0.03 0.19 -0.14 0.95 0.02 0.00 0.00 175.26 176.31 1k8h s THR 24 N -2.51 1.10 0.45 3.63 -4.23 -1.26 -0.86 115.64 111.95 1k8h s THR 24 Ca 0.16 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1k8h s THR 24 Cb -0.03 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1k8h s THR 24 CO 0.05 0.13 0.12 -0.31 -0.54 0.00 0.00 174.62 174.07 1k8h s TYR 25 N -0.63 2.31 -0.06 3.99 1.51 -0.64 -5.01 117.35 118.82 1k8h s TYR 25 Ca 0.03 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.41 1k8h s TYR 25 Cb -0.07 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1k8h s TYR 25 CO 0.01 0.19 -0.16 -1.83 -1.11 0.00 0.00 175.55 172.65 1k8h s GLU 26 N -3.89 1.92 0.07 -0.62 -1.05 -1.26 -2.79 118.70 111.08 1k8h s GLU 26 Ca 0.31 -0.56 0.04 0.00 -0.15 0.00 0.00 54.97 54.60 1k8h s GLU 26 Cb 0.04 -1.59 -0.03 0.00 -0.44 0.00 0.00 34.13 32.12 1k8h s GLU 26 CO 0.17 0.15 -0.11 0.00 0.95 0.00 0.00 175.26 176.41 1k8h s ALA 27 N 0.33 0.96 -0.12 -0.84 0.00 -1.00 -4.66 121.76 116.44 1k8h s ALA 27 Ca -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1k8h s ALA 27 Cb -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1k8h s ALA 27 CO 0.04 0.06 -0.17 0.20 0.00 0.00 0.00 175.76 175.88 1k8h s GLY 28 N -1.86 1.15 -0.19 0.00 0.00 -1.24 -1.34 107.32 103.84 1k8h s GLY 28 Ca -0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.75 1k8h s GLY 28 CO 0.01 0.18 0.08 -0.26 0.00 0.00 0.00 173.10 173.11 1k8h s ILE 29 N 0.99 4.91 -0.06 0.90 -4.36 -0.13 -1.95 121.20 121.49 1k8h s ILE 29 Ca -0.05 0.01 -0.00 0.00 -0.26 0.00 0.00 60.65 60.34 1k8h s ILE 29 Cb -0.15 -3.23 0.03 0.00 1.25 0.00 0.00 42.46 40.36 1k8h s ILE 29 CO -0.03 0.45 -0.02 0.68 0.24 0.00 0.00 174.94 176.26 1k8h s VAL 30 N 0.46 0.45 0.14 8.37 -7.23 -1.26 -2.79 120.40 118.53 1k8h s VAL 30 Ca 0.04 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.25 1k8h s VAL 30 Cb -0.12 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 1k8h s VAL 30 CO 0.00 0.25 0.06 0.00 -0.31 0.00 0.00 175.10 175.10 1k8h n LEU 31 N 4.76 0.00 0.00 1.32 -0.00 -1.26 -5.01 117.00 116.81 1k8h n LEU 31 Ca -0.14 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.75 1k8h n LEU 31 Cb 0.50 0.41 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 1k8h n LEU 31 CO 0.15 -0.18 0.00 0.29 -0.00 0.00 0.00 177.39 177.66 1k8h n LYS 32 N -0.31 -0.43 -0.13 1.47 4.76 -1.26 -4.96 118.16 117.30 1k8h n LYS 32 Ca -0.01 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.18 1k8h n LYS 32 Cb 0.22 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.31 1k8h n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k8h n GLY 33 N 0.00 -0.41 0.27 0.72 0.00 -1.26 -4.23 105.19 100.28 1k8h n GLY 33 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1k8h n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k8h h SER 34 N -0.63 0.47 -0.20 1.61 4.64 -2.01 -2.15 113.55 115.27 1k8h h SER 34 Ca -0.65 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 60.77 1k8h h SER 34 Cb 1.70 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 1k8h h SER 34 CO -0.30 0.26 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.58 1k8h h GLU 35 N 0.61 0.05 -0.53 4.77 4.39 -1.96 -2.68 114.58 119.21 1k8h h GLU 35 Ca 0.36 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.16 1k8h h GLU 35 Cb 0.39 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.93 1k8h h GLU 35 CO -0.28 0.03 -0.11 0.28 -1.16 0.00 0.00 179.01 177.78 1k8h h VAL 36 N 0.05 0.49 -0.21 3.13 2.07 -1.57 -2.16 116.25 118.05 1k8h h VAL 36 Ca 0.10 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1k8h h VAL 36 Cb 0.13 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1k8h h VAL 36 CO -0.17 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.53 1k8h h LYS 37 N 0.02 0.06 -0.49 1.57 1.57 -1.28 -0.16 116.57 117.86 1k8h h LYS 37 Ca 0.26 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.14 1k8h h LYS 37 Cb 0.40 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.60 1k8h h LYS 37 CO -0.53 0.04 -0.17 1.03 -0.57 0.00 0.00 179.45 179.25 1k8h h SER 38 N 0.07 -0.61 -0.04 0.86 0.87 -1.12 -0.39 113.55 113.19 1k8h h SER 38 Ca 0.10 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1k8h h SER 38 Cb 0.12 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1k8h h SER 38 CO -0.17 -0.21 -0.05 -0.07 -0.53 0.00 0.00 176.83 175.81 1k8h h LEU 39 N -0.06 0.12 -0.30 2.23 3.38 -1.34 -2.59 115.31 116.75 1k8h h LEU 39 Ca 0.24 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1k8h h LEU 39 Cb 0.42 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1k8h h LEU 39 CO -0.54 0.60 -0.35 -0.09 0.09 0.00 0.00 178.44 178.15 1k8h h ARG 40 N -0.36 -0.32 -0.02 1.13 1.12 -0.59 -0.19 114.38 115.16 1k8h h ARG 40 Ca 0.01 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1k8h h ARG 40 Cb 0.57 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1k8h h ARG 40 CO 0.01 -0.21 0.01 1.05 -3.11 0.00 0.00 179.97 177.72 1k8h h GLU 41 N -0.33 0.02 0.00 0.20 -0.00 -1.17 -3.35 114.58 109.95 1k8h h GLU 41 Ca 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1k8h h GLU 41 Cb 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1k8h h GLU 41 CO -0.48 0.09 0.00 1.63 -0.00 0.00 0.00 179.01 180.25 1k8h n LYS 42 N -5.04 0.00 0.00 1.06 5.02 -0.93 -5.00 118.16 113.27 1k8h n LYS 42 Ca -0.07 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1k8h n LYS 42 Cb 0.06 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1k8h n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k8h n GLY 43 N -0.44 0.73 3.22 0.72 0.00 -0.13 -5.09 105.19 104.20 1k8h n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1k8h n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k8h s THR 44 N -1.25 -0.00 0.00 2.61 -4.23 -1.26 -5.10 115.64 106.40 1k8h s THR 44 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1k8h s THR 44 Cb 0.00 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1k8h s THR 44 CO 0.00 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.60 1k8h n VAL 45 N 2.94 0.00 -0.70 2.29 0.31 -1.26 -3.88 118.33 118.02 1k8h n VAL 45 Ca -0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 1k8h n VAL 45 Cb 0.58 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.67 1k8h n VAL 45 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k8h n SER 46 N -1.57 -0.10 0.01 4.52 7.64 -1.11 -4.35 113.62 118.65 1k8h n SER 46 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1k8h n SER 46 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 1k8h n SER 46 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k8h n PHE 47 N -4.12 -0.01 -2.35 1.43 3.01 -1.26 -4.78 117.46 109.37 1k8h n PHE 47 Ca 0.11 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.53 1k8h n PHE 47 Cb 0.52 0.02 0.06 0.00 -0.01 0.00 0.00 39.48 40.08 1k8h n PHE 47 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1k8h n LYS 48 N -2.61 1.75 -0.19 -1.08 0.00 -1.26 -4.74 118.16 110.04 1k8h n LYS 48 Ca 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 58.31 55.04 1k8h n LYS 48 Cb 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 35.03 33.65 1k8h n LYS 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k8h n ASP 49 N -0.45 0.28 -4.34 3.14 8.00 -1.26 -5.05 116.55 116.86 1k8h n ASP 49 Ca 0.18 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.78 1k8h n ASP 49 Cb 0.91 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.77 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k8h s SER 50 N -0.61 4.17 0.30 -2.24 1.04 -1.26 -2.27 113.70 112.83 1k8h s SER 50 Ca 0.02 -0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.19 1k8h s SER 50 Cb 0.02 -1.68 -0.06 0.00 0.10 0.00 0.00 66.02 64.40 1k8h s SER 50 CO 0.00 0.08 -0.12 -0.36 0.98 0.00 0.00 173.24 173.82 1k8h s PHE 51 N 0.89 2.19 -0.06 5.02 0.40 -0.36 -4.47 117.98 121.59 1k8h s PHE 51 Ca -0.02 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1k8h s PHE 51 Cb -0.15 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.24 1k8h s PHE 51 CO 0.00 0.52 -0.17 0.08 0.70 0.00 0.00 175.22 176.36 1k8h s VAL 52 N -2.72 1.44 -0.01 -0.44 1.01 -1.22 -1.73 120.40 116.73 1k8h s VAL 52 Ca 0.30 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1k8h s VAL 52 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1k8h s VAL 52 CO 0.14 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.51 1k8h s ARG 53 N 0.34 1.17 -0.22 2.72 1.70 -0.98 -4.29 118.95 119.40 1k8h s ARG 53 Ca -0.11 -0.52 -0.14 0.00 -0.47 0.00 0.00 55.73 54.49 1k8h s ARG 53 Cb -0.14 -1.13 -0.04 0.00 -0.57 0.00 0.00 34.95 33.06 1k8h s ARG 53 CO 0.04 0.31 0.33 0.42 -1.08 0.00 0.00 175.30 175.32 1k8h s ILE 54 N -0.35 5.24 0.17 4.99 1.09 -1.26 -1.56 121.20 129.53 1k8h s ILE 54 Ca 0.05 0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 60.14 1k8h s ILE 54 Cb -0.06 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 1k8h s ILE 54 CO -0.01 0.27 0.10 -0.70 -0.10 0.00 0.00 174.94 174.51 1k8h s GLU 55 N 1.28 1.10 2.34 2.79 2.56 -1.14 -4.97 118.70 122.66 1k8h s GLU 55 Ca 0.15 -1.56 0.00 0.00 0.00 0.00 0.00 54.97 53.57 1k8h s GLU 55 Cb -0.14 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.24 1k8h s GLU 55 CO 0.07 -0.34 0.00 -1.71 -0.56 0.00 0.00 175.26 172.72 1k8h n ASN 56 N -0.20 0.00 0.00 -1.70 2.85 -1.26 -2.09 115.26 112.86 1k8h n ASN 56 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1k8h n ASN 56 Cb 0.65 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k8h n GLY 57 N 0.00 -0.57 3.25 8.20 0.00 -1.26 -4.92 105.19 109.89 1k8h n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1k8h n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k8h s GLU 58 N 0.00 1.29 0.26 1.61 8.01 -0.89 -4.29 118.70 124.69 1k8h s GLU 58 Ca 0.00 -1.62 -0.30 0.00 0.01 0.00 0.00 54.97 53.06 1k8h s GLU 58 Cb 0.00 0.30 -0.09 0.00 -4.31 0.00 0.00 34.13 30.03 1k8h s GLU 58 CO 0.00 -0.44 0.99 0.00 0.01 0.00 0.00 175.26 175.81 1k8h s ALA 59 N -4.07 3.35 0.02 5.21 0.00 -1.18 -2.88 121.76 122.21 1k8h s ALA 59 Ca 0.37 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1k8h s ALA 59 Cb 0.06 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1k8h s ALA 59 CO 0.13 0.10 -0.20 -1.58 0.00 0.00 0.00 175.76 174.20 1k8h s TRP 60 N -1.20 2.50 -0.16 0.00 0.52 -0.60 -2.55 118.94 117.45 1k8h s TRP 60 Ca 0.43 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 1k8h s TRP 60 Cb -0.27 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1k8h s TRP 60 CO 0.34 0.17 -0.11 -1.17 0.02 0.00 0.00 176.95 176.20 1k8h s LEU 61 N -1.16 2.68 -0.12 2.99 0.20 -0.97 -2.31 118.68 119.99 1k8h s LEU 61 Ca 0.13 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.57 1k8h s LEU 61 Cb -0.10 -1.63 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 1k8h s LEU 61 CO 0.03 0.08 -0.17 -0.47 -0.29 0.00 0.00 176.35 175.54 1k8h s TYR 62 N 0.83 2.15 -0.09 5.38 6.14 -0.70 -2.84 117.35 128.22 1k8h s TYR 62 Ca -0.04 -1.05 0.04 0.00 0.64 0.00 0.00 57.07 56.67 1k8h s TYR 62 Cb -0.15 -1.53 -0.00 0.00 0.42 0.00 0.00 41.96 40.70 1k8h s TYR 62 CO 0.00 -0.53 -0.23 -0.80 0.64 0.00 0.00 175.55 174.63 1k8h s ASN 63 N 0.99 3.01 -0.18 4.32 0.01 -1.18 -1.22 114.94 120.68 1k8h s ASN 63 Ca -0.06 -0.54 0.14 0.00 -0.71 0.00 0.00 52.86 51.70 1k8h s ASN 63 Cb -0.15 -1.29 0.38 0.00 0.41 0.00 0.00 41.25 40.60 1k8h s ASN 63 CO -0.02 0.17 1.22 0.18 -1.51 0.00 0.00 177.10 177.13 1k8h n LEU 64 N 3.45 2.70 -2.71 0.60 4.32 -0.96 -3.95 117.00 120.46 1k8h n LEU 64 Ca -0.19 -3.56 -0.06 0.00 -0.02 0.00 0.00 56.01 52.18 1k8h n LEU 64 Cb 0.53 -0.50 0.07 0.00 -1.62 0.00 0.00 43.42 41.90 1k8h n LEU 64 CO 0.27 1.11 0.17 0.00 -1.22 0.00 0.00 177.39 177.73 1k8h n TYR 65 N -1.22 -0.24 -1.74 -1.77 9.36 -1.26 -4.90 117.16 115.38 1k8h n TYR 65 Ca 0.19 -2.29 -0.43 0.00 3.32 0.00 0.00 57.90 58.69 1k8h n TYR 65 Cb 0.70 0.45 -0.03 0.00 -0.63 0.00 0.00 39.34 39.83 1k8h n TYR 65 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1k8h s ILE 66 N -1.92 3.16 -0.06 2.97 1.10 -1.26 -2.74 121.20 122.45 1k8h s ILE 66 Ca 0.23 0.19 -0.18 0.00 -0.51 0.00 0.00 60.65 60.38 1k8h s ILE 66 Cb 0.42 -3.17 -0.30 0.00 0.15 0.00 0.00 42.46 39.56 1k8h s ILE 66 CO -0.03 -0.07 0.75 0.00 -2.11 0.00 0.00 174.94 173.48 1k8h h ALA 67 N 12.38 0.02 -2.07 1.50 0.00 -1.79 -3.48 119.26 125.82 1k8h h ALA 67 Ca -0.43 -0.90 -0.53 0.00 0.00 0.00 0.00 54.91 53.05 1k8h h ALA 67 Cb 1.22 0.28 0.23 0.00 0.00 0.00 0.00 17.79 19.52 1k8h h ALA 67 CO 0.96 0.62 -1.08 -2.30 0.00 0.00 0.00 179.25 177.46 1k8h n PRO 68 N -3.98 -0.24 -3.80 0.00 -0.02 -1.25 -4.97 135.00 120.74 1k8h n PRO 68 Ca -0.19 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 60.95 1k8h n PRO 68 Cb 0.89 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.68 1k8h n PRO 68 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1k8h s TYR 69 N -2.25 1.98 -0.12 6.00 1.51 -1.26 -4.95 117.35 118.26 1k8h s TYR 69 Ca 0.51 -1.80 0.18 0.00 -1.01 0.00 0.00 57.07 54.95 1k8h s TYR 69 Cb -0.19 -1.78 0.43 0.00 -0.11 0.00 0.00 41.96 40.32 1k8h s TYR 69 CO 0.73 -0.84 1.19 0.36 -1.11 0.00 0.00 175.55 175.87 1k8h n LYS 70 N 4.77 1.02 -3.69 -0.62 2.85 -1.26 -4.98 118.16 116.25 1k8h n LYS 70 Ca -0.03 -2.79 -0.29 0.00 -1.05 0.00 0.00 58.31 54.14 1k8h n LYS 70 Cb 0.43 -0.94 -0.15 0.00 -0.65 0.00 0.00 35.03 33.72 1k8h n LYS 70 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1k8h s HIS 71 N -1.85 1.23 -0.20 5.58 -3.43 -1.26 -4.97 115.29 110.40 1k8h s HIS 71 Ca 0.36 -1.33 0.12 0.00 -0.80 0.00 0.00 55.06 53.41 1k8h s HIS 71 Cb 0.38 -1.36 -0.23 0.00 -1.43 0.00 0.00 32.58 29.94 1k8h s HIS 71 CO -0.11 -0.80 0.06 0.00 -2.00 0.00 0.00 174.74 171.89 1k8h n ALA 72 N 4.99 1.46 -1.90 -1.38 0.00 -1.26 -4.98 120.51 117.44 1k8h n ALA 72 Ca -0.05 -1.19 -0.29 0.00 0.00 0.00 0.00 53.44 51.91 1k8h n ALA 72 Cb 0.43 -0.24 0.08 0.00 0.00 0.00 0.00 19.45 19.71 1k8h n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k8h s THR 73 N -2.51 2.47 -0.49 0.00 2.01 -1.26 -4.97 115.64 110.88 1k8h s THR 73 Ca -0.17 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1k8h s THR 73 Cb 0.07 -3.15 0.56 0.00 0.01 0.00 0.00 72.50 69.99 1k8h s THR 73 CO 0.77 -0.20 1.92 -0.38 -0.69 0.00 0.00 174.62 176.04 1k8h n ILE 74 N -3.22 3.23 -3.61 1.82 -0.00 -1.26 -4.69 119.36 111.64 1k8h n ILE 74 Ca 0.08 -2.13 -0.27 0.00 -0.00 0.00 0.00 62.75 60.42 1k8h n ILE 74 Cb 0.60 -0.73 -0.11 0.00 -0.00 0.00 0.00 39.64 39.40 1k8h n ILE 74 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1k8h n GLU 75 N -0.96 0.92 -4.15 0.38 1.02 -1.26 -5.09 120.64 111.50 1k8h n GLU 75 Ca 0.57 -3.75 -0.14 0.00 -0.02 0.00 0.00 57.16 53.82 1k8h n GLU 75 Cb 1.29 -1.94 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 1k8h n GLU 75 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k8h s ASN 76 N -0.63 0.68 0.58 1.62 2.20 -1.26 -5.11 114.94 113.01 1k8h s ASN 76 Ca 0.30 -1.42 0.09 0.00 -0.94 0.00 0.00 52.86 50.88 1k8h s ASN 76 Cb 0.01 0.54 0.08 0.00 -2.00 0.00 0.00 41.25 39.88 1k8h s ASN 76 CO -0.19 -1.08 0.69 -1.00 -2.94 0.00 0.00 177.10 172.59 1k8h s HIS 77 N -3.65 1.37 0.61 1.54 3.76 -1.26 -5.08 115.29 112.58 1k8h s HIS 77 Ca 0.34 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.27 1k8h s HIS 77 Cb 0.02 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1k8h s HIS 77 CO 0.17 -1.01 1.29 -0.25 -0.85 0.00 0.00 174.74 174.10 1k8h n ASP 78 N -2.13 2.20 -4.56 1.40 8.00 -1.26 -4.85 116.55 115.34 1k8h n ASP 78 Ca 0.11 0.88 -0.28 0.00 0.71 0.00 0.00 54.79 56.21 1k8h n ASP 78 Cb 0.63 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.12 1k8h n ASP 78 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1k8h s PRO 79 N -3.16 2.64 0.02 -0.24 0.04 -1.26 -4.47 135.00 128.58 1k8h s PRO 79 Ca 0.78 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1k8h s PRO 79 Cb -0.40 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1k8h s PRO 79 CO 0.44 -3.27 0.00 1.47 0.04 0.00 0.00 177.00 175.68 1k8h n LEU 80 N 13.55 0.04 -3.05 -3.56 -0.00 -1.25 -4.50 117.00 118.23 1k8h n LEU 80 Ca 0.39 0.03 -0.17 0.00 -0.00 0.00 0.00 56.01 56.27 1k8h n LEU 80 Cb 0.47 0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.92 1k8h n LEU 80 CO 0.61 -0.32 -0.04 -1.14 -0.00 0.00 0.00 177.39 176.50 1k8h n ARG 81 N -2.81 -2.24 -2.73 1.47 3.00 -1.26 -3.07 116.66 109.01 1k8h n ARG 81 Ca 0.00 1.91 -0.42 0.00 -0.00 0.00 0.00 57.85 59.34 1k8h n ARG 81 Cb 0.21 -4.64 -0.03 0.00 0.00 0.00 0.00 32.46 28.01 1k8h n ARG 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1k8h s LYS 82 N -2.59 4.35 -0.02 -0.14 2.20 -1.26 -4.35 119.74 117.93 1k8h s LYS 82 Ca 0.28 1.29 0.06 0.00 -0.36 0.00 0.00 55.97 57.25 1k8h s LYS 82 Cb -0.06 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1k8h s LYS 82 CO 0.80 -0.39 -0.21 0.50 -0.36 0.00 0.00 175.35 175.69 1k8h s ARG 83 N 2.33 1.72 -0.23 4.03 6.06 -1.13 -5.06 118.95 126.67 1k8h s ARG 83 Ca 0.45 -0.75 -0.09 0.00 -2.50 0.00 0.00 55.73 52.84 1k8h s ARG 83 Cb -0.17 -1.65 -0.04 0.00 0.06 0.00 0.00 34.95 33.15 1k8h s ARG 83 CO 0.14 0.44 0.11 -1.59 -2.50 0.00 0.00 175.30 171.90 1k8h s LYS 84 N -0.46 3.93 -0.15 5.12 0.00 -1.26 -2.30 119.74 124.61 1k8h s LYS 84 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 55.97 55.69 1k8h s LYS 84 Cb -0.08 -3.39 -0.01 0.00 0.00 0.00 0.00 37.83 34.34 1k8h s LYS 84 CO -0.01 0.04 -0.13 -0.48 0.00 0.00 0.00 175.35 174.78 1k8h s LEU 85 N 1.05 2.64 1.04 2.77 2.34 -1.06 -4.53 118.68 122.93 1k8h s LEU 85 Ca 0.06 -0.40 -0.17 0.00 0.06 0.00 0.00 54.13 53.68 1k8h s LEU 85 Cb -0.14 -1.61 0.10 0.00 -0.56 0.00 0.00 46.19 43.98 1k8h s LEU 85 CO 0.04 0.10 -0.05 -0.11 -1.06 0.00 0.00 176.35 175.28 1k8h n LEU 86 N 3.94 -1.96 0.00 1.48 0.00 -0.82 -3.08 117.00 116.55 1k8h n LEU 86 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.59 1k8h n LEU 86 Cb 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 43.14 1k8h n LEU 86 CO 0.30 -3.06 0.00 -0.11 0.00 0.00 0.00 177.39 174.52 1k8h n LEU 87 N -0.75 0.00 0.00 -1.96 -0.00 -1.26 -3.63 117.00 109.39 1k8h n LEU 87 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1k8h n LEU 87 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1k8h n LEU 87 CO 0.37 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.33 1k8h n HIS 88 N 0.00 -0.14 0.01 1.96 -0.00 -1.26 -5.00 115.22 110.79 1k8h n HIS 88 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 1k8h n HIS 88 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1k8h n HIS 88 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1k8h n LYS 89 N -0.05 0.04 -0.02 1.57 5.02 -1.26 -4.54 118.16 118.92 1k8h n LYS 89 Ca 0.00 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 1k8h n LYS 89 Cb 0.00 -0.57 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 1k8h n LYS 89 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1k8h h ARG 90 N -0.08 0.01 0.10 1.97 2.43 -1.99 -3.15 114.38 113.67 1k8h h ARG 90 Ca -0.03 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1k8h h ARG 90 Cb 0.60 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1k8h h ARG 90 CO -0.02 0.54 -0.20 0.93 -1.51 0.00 0.00 179.97 179.71 1k8h h GLU 91 N -0.53 -0.36 -0.54 0.20 4.39 -1.97 -1.54 114.58 114.24 1k8h h GLU 91 Ca 0.00 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.83 1k8h h GLU 91 Cb 0.54 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.17 1k8h h GLU 91 CO 0.00 -0.24 -0.09 -0.84 -1.16 0.00 0.00 179.01 176.68 1k8h h ILE 92 N -0.37 0.49 -0.00 3.13 -0.00 -1.80 -0.02 117.51 118.94 1k8h h ILE 92 Ca 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 64.86 64.88 1k8h h ILE 92 Cb 0.40 0.46 -0.00 0.00 -0.00 0.00 0.00 36.82 37.68 1k8h h ILE 92 CO -0.12 0.01 0.00 -0.03 -0.00 0.00 0.00 178.15 178.01 1k8h h MET 93 N 0.03 0.00 0.39 0.16 4.05 -1.46 -2.26 114.93 115.85 1k8h h MET 93 Ca 0.26 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1k8h h MET 93 Cb 0.41 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1k8h h MET 93 CO -0.52 0.06 -0.44 -0.09 0.23 0.00 0.00 176.91 176.14 1k8h h ARG 94 N -0.05 -0.83 -0.51 0.39 2.43 -0.51 -2.67 114.38 112.63 1k8h h ARG 94 Ca 0.00 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1k8h h ARG 94 Cb 0.05 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 1k8h h ARG 94 CO -0.00 -0.55 -0.05 1.37 -1.51 0.00 0.00 179.97 179.23 1k8h h LEU 95 N -0.86 -0.32 -0.53 3.80 8.10 -1.03 -1.99 115.31 122.48 1k8h h LEU 95 Ca -0.03 0.14 0.11 0.00 0.11 0.00 0.00 57.88 58.20 1k8h h LEU 95 Cb 0.77 0.26 -0.10 0.00 -0.44 0.00 0.00 40.66 41.15 1k8h h LEU 95 CO -0.09 -0.12 -0.10 0.22 -4.11 0.00 0.00 178.44 174.24 1k8h h TYR 96 N 0.07 -0.22 0.00 0.17 3.20 -1.18 -0.65 116.97 118.35 1k8h h TYR 96 Ca 0.26 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1k8h h TYR 96 Cb 0.40 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1k8h h TYR 96 CO -0.36 -0.21 0.00 0.41 -1.64 0.00 0.00 178.16 176.36 1k8h n GLY 97 N -1.36 -2.01 0.37 1.82 0.00 -0.79 -2.21 105.19 101.01 1k8h n GLY 97 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1k8h n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1k8h h LYS 98 N 0.00 -0.66 -0.54 1.61 3.64 -1.48 -0.22 116.57 118.93 1k8h h LYS 98 Ca 0.00 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1k8h h LYS 98 Cb 0.00 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 1k8h h LYS 98 CO 0.00 -0.44 -0.11 0.28 -2.27 0.00 0.00 179.45 176.91 1k8h h VAL 99 N -0.68 0.48 0.14 2.00 2.07 -1.29 -0.60 116.25 118.37 1k8h h VAL 99 Ca -0.03 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1k8h h VAL 99 Cb 0.62 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1k8h h VAL 99 CO -0.11 0.00 -0.07 -0.61 0.02 0.00 0.00 177.57 176.81 1k8h h GLN 100 N 0.02 -0.18 0.18 1.57 4.15 -1.34 1.05 115.11 120.56 1k8h h GLN 100 Ca 0.26 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1k8h h GLN 100 Cb 0.40 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1k8h h GLN 100 CO -0.54 -0.12 -0.17 1.49 -1.93 0.00 0.00 178.83 177.57 1k8h h GLU 101 N -0.31 -0.36 -0.57 1.69 4.81 -1.07 -3.06 114.58 115.71 1k8h h GLU 101 Ca -0.02 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1k8h h GLU 101 Cb 0.14 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 1k8h h GLU 101 CO 0.03 -0.24 -0.11 0.87 -0.73 0.00 0.00 179.01 178.83 1k8h h LYS 102 N -0.37 0.02 0.00 1.92 1.79 -1.22 -3.45 116.57 115.26 1k8h h LYS 102 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1k8h h LYS 102 Cb 0.34 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1k8h h LYS 102 CO -0.03 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 1k8h n GLY 103 N -1.39 0.04 3.44 3.86 0.00 -1.16 -5.10 105.19 104.89 1k8h n GLY 103 Ca 0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1k8h n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k8h s TYR 104 N 0.00 1.94 0.15 1.61 1.51 0.36 -4.70 117.35 118.22 1k8h s TYR 104 Ca 0.00 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 1k8h s TYR 104 Cb 0.00 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1k8h s TYR 104 CO 0.00 0.08 -0.04 0.95 -1.11 0.00 0.00 175.55 175.43 1k8h s THR 105 N -3.23 0.78 -0.08 -0.71 -4.23 -1.05 -4.36 115.64 102.77 1k8h s THR 105 Ca 0.34 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1k8h s THR 105 Cb 0.07 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1k8h s THR 105 CO 0.14 -0.65 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.74 1k8h s ILE 106 N -3.58 1.76 0.09 2.99 1.09 -1.26 -2.56 121.20 119.73 1k8h s ILE 106 Ca 0.19 -0.86 0.02 0.00 -1.10 0.00 0.00 60.65 58.90 1k8h s ILE 106 Cb 0.05 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.89 1k8h s ILE 106 CO 0.01 0.49 -0.07 0.27 -0.10 0.00 0.00 174.94 175.54 1k8h s ILE 107 N 0.32 0.70 0.46 2.92 -5.25 -1.12 -3.38 121.20 115.84 1k8h s ILE 107 Ca -0.14 -1.73 -0.12 0.00 -0.99 0.00 0.00 60.65 57.67 1k8h s ILE 107 Cb -0.16 -1.43 -0.06 0.00 2.95 0.00 0.00 42.46 43.76 1k8h s ILE 107 CO 0.06 -0.74 0.86 -2.16 -1.79 0.00 0.00 174.94 171.17 1k8h s PRO 108 N -3.25 3.80 0.00 0.37 0.04 -1.26 -2.79 135.00 131.91 1k8h s PRO 108 Ca 0.07 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1k8h s PRO 108 Cb 0.01 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1k8h s PRO 108 CO -0.03 -0.16 0.00 1.28 0.04 0.00 0.00 177.00 178.13 1k8h n LEU 109 N -1.56 0.00 -4.07 -3.56 7.99 -0.94 -4.78 117.00 110.08 1k8h n LEU 109 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.75 1k8h n LEU 109 Cb 0.54 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.68 1k8h n LEU 109 CO 0.48 0.00 -0.50 -0.54 -1.51 0.00 0.00 177.39 175.32 1k8h s LYS 110 N 0.97 2.35 -0.12 3.23 1.02 -1.25 -1.75 119.74 124.18 1k8h s LYS 110 Ca 0.00 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1k8h s LYS 110 Cb 0.00 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1k8h s LYS 110 CO 0.00 -0.07 -0.15 -0.48 -0.92 0.00 0.00 175.35 173.72 1k8h s LEU 111 N 1.01 1.72 0.08 3.17 2.34 -0.95 -2.64 118.68 123.41 1k8h s LEU 111 Ca -0.05 -0.45 0.03 0.00 0.06 0.00 0.00 54.13 53.72 1k8h s LEU 111 Cb -0.15 -1.12 -0.03 0.00 -0.56 0.00 0.00 46.19 44.33 1k8h s LEU 111 CO -0.03 -0.00 -0.09 -0.72 -1.06 0.00 0.00 176.35 174.46 1k8h s TYR 112 N 1.11 0.90 -0.18 3.48 1.13 -1.03 -2.27 117.35 120.49 1k8h s TYR 112 Ca -0.04 -0.68 -0.02 0.00 -1.41 0.00 0.00 57.07 54.92 1k8h s TYR 112 Cb -0.14 -0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 40.20 1k8h s TYR 112 CO -0.04 -0.07 -0.09 1.67 -2.51 0.00 0.00 175.55 174.52 1k8h s TRP 113 N -2.43 2.90 0.08 -3.49 -2.14 -0.98 -1.53 118.94 111.35 1k8h s TRP 113 Ca 0.02 -0.88 0.07 0.00 2.66 0.00 0.00 56.10 57.98 1k8h s TRP 113 Cb -0.03 -1.99 -0.04 0.00 -3.10 0.00 0.00 33.47 28.31 1k8h s TRP 113 CO -0.01 -0.44 -0.12 -1.59 -2.66 0.00 0.00 176.95 172.13 1k8h s LYS 114 N 1.03 2.10 0.00 3.25 -2.85 -0.50 -2.83 119.74 119.94 1k8h s LYS 114 Ca -0.00 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 1k8h s LYS 114 Cb -0.15 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1k8h s LYS 114 CO -0.01 0.52 0.00 0.09 0.10 0.00 0.00 175.35 176.05 1k8h n ASN 115 N 0.96 0.00 0.00 0.03 4.13 -1.26 -2.70 115.26 116.42 1k8h n ASN 115 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1k8h n ASN 116 N 2.52 0.00 -4.14 6.41 2.85 -1.26 -5.11 115.26 116.53 1k8h n ASN 116 Ca 0.00 -0.04 -0.09 0.00 -0.11 0.00 0.00 54.58 54.34 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1k8h n ASN 116 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1k8h s LYS 117 N 0.00 0.82 0.06 1.20 -2.85 -1.10 -5.00 119.74 112.87 1k8h s LYS 117 Ca 0.00 -1.36 -0.10 0.00 -1.00 0.00 0.00 55.97 53.51 1k8h s LYS 117 Cb 0.00 0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.82 1k8h s LYS 117 CO 0.00 -0.16 0.39 0.14 0.10 0.00 0.00 175.35 175.82 1k8h s VAL 118 N -3.90 5.11 -0.11 1.79 -7.23 -1.12 -1.41 120.40 113.53 1k8h s VAL 118 Ca 0.16 0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.83 1k8h s VAL 118 Cb 0.07 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.38 1k8h s VAL 118 CO -0.03 0.35 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.37 1k8h s LYS 119 N -1.75 2.15 -0.13 4.82 0.00 -0.58 -0.96 119.74 123.30 1k8h s LYS 119 Ca 0.31 -0.53 -0.04 0.00 0.00 0.00 0.00 55.97 55.71 1k8h s LYS 119 Cb -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 37.83 35.78 1k8h s LYS 119 CO 0.17 -0.10 0.00 0.08 0.00 0.00 0.00 175.35 175.50 1k8h s VAL 120 N 1.10 4.27 -0.23 1.79 1.01 -0.45 -2.46 120.40 125.44 1k8h s VAL 120 Ca -0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1k8h s VAL 120 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1k8h s VAL 120 CO -0.03 0.54 0.11 -0.22 0.00 0.00 0.00 175.10 175.50 1k8h s LEU 121 N -0.24 3.86 0.03 3.92 0.20 -1.08 -2.37 118.68 123.00 1k8h s LEU 121 Ca 0.06 0.02 0.05 0.00 0.69 0.00 0.00 54.13 54.94 1k8h s LEU 121 Cb -0.12 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1k8h s LEU 121 CO 0.02 0.07 -0.10 0.27 -0.29 0.00 0.00 176.35 176.32 1k8h s ILE 122 N 1.03 3.37 0.05 6.68 -4.36 -1.12 -2.21 121.20 124.64 1k8h s ILE 122 Ca 0.06 -0.98 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1k8h s ILE 122 Cb -0.14 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 1k8h s ILE 122 CO 0.04 0.32 -0.13 0.00 0.24 0.00 0.00 174.94 175.41 1k8h s ALA 123 N -1.03 1.04 -0.21 2.27 0.00 -1.12 -1.62 121.76 121.09 1k8h s ALA 123 Ca 0.17 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1k8h s ALA 123 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1k8h s ALA 123 CO 0.08 0.15 0.09 -0.51 0.00 0.00 0.00 175.76 175.58 1k8h s LEU 124 N -1.39 3.86 0.08 0.00 2.01 -0.04 -2.80 118.68 120.39 1k8h s LEU 124 Ca -0.02 0.06 0.04 0.00 0.01 0.00 0.00 54.13 54.22 1k8h s LEU 124 Cb -0.09 -2.00 -0.03 0.00 0.01 0.00 0.00 46.19 44.08 1k8h s LEU 124 CO 0.01 0.12 -0.11 0.00 1.01 0.00 0.00 176.35 177.39 1k8h s ALA 125 N 0.70 0.99 0.29 4.21 0.00 -1.06 -0.65 121.76 126.23 1k8h s ALA 125 Ca 0.05 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1k8h s ALA 125 Cb -0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1k8h s ALA 125 CO 0.02 0.02 0.29 0.21 0.00 0.00 0.00 175.76 176.29 1k8h s LYS 126 N -2.20 2.94 -0.91 0.00 2.20 -1.05 -2.52 119.74 118.20 1k8h s LYS 126 Ca -0.01 -1.10 -0.20 0.00 -0.36 0.00 0.00 55.97 54.30 1k8h s LYS 126 Cb -0.07 -2.60 -0.12 0.00 -1.51 0.00 0.00 37.83 33.53 1k8h s LYS 126 CO 0.01 0.25 2.00 0.41 -0.36 0.00 0.00 175.35 177.65 1k8h n GLY 127 N -1.34 2.94 1.41 5.54 0.00 -1.26 -3.55 105.19 108.93 1k8h n GLY 127 Ca -0.05 -1.32 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1k8h n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k8h n LYS 128 N 6.70 -3.46 -3.00 1.61 5.02 -1.02 -5.03 118.16 118.99 1k8h n LYS 128 Ca 0.50 2.76 0.01 0.00 -2.02 0.00 0.00 58.31 59.57 1k8h n LYS 128 Cb 0.39 -3.72 0.01 0.00 -0.02 0.00 0.00 35.03 31.69 1k8h n LYS 128 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k8h n LYS 129 N -3.51 0.13 0.00 1.97 4.81 -1.26 -4.93 118.16 115.37 1k8h n LYS 129 Ca -0.05 -0.48 0.00 0.00 -0.87 0.00 0.00 58.31 56.91 1k8h n LYS 129 Cb 0.57 0.76 0.00 0.00 0.02 0.00 0.00 35.03 36.38 1k8h n LYS 129 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1k8h n LEU 130 N 0.00 0.00 -4.50 3.14 4.32 -1.26 -4.55 117.00 114.15 1k8h n LEU 130 Ca 0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.59 1k8h n LEU 130 Cb 0.32 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.03 1k8h n LEU 130 CO 0.09 0.00 0.02 -0.47 -1.22 0.00 0.00 177.39 175.81 1k8h s TYR 131 N 0.00 3.20 -0.61 -1.77 6.14 -1.26 -5.03 117.35 118.03 1k8h s TYR 131 Ca 0.00 -0.30 -0.20 0.00 0.64 0.00 0.00 57.07 57.21 1k8h s TYR 131 Cb 0.00 -2.72 0.09 0.00 0.42 0.00 0.00 41.96 39.75 1k8h s TYR 131 CO 0.00 -0.56 0.78 0.34 0.64 0.00 0.00 175.55 176.75 1k8h s ASP 132 N 1.75 6.19 0.00 4.32 -1.08 -1.26 -5.10 116.67 121.48 1k8h s ASP 132 Ca 0.10 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.89 1k8h s ASP 132 Cb -0.17 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1k8h s ASP 132 CO 0.12 -1.20 0.41 0.54 0.52 0.00 0.00 175.17 175.56