#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 -3.22 -2.38 1.61 5.02 -1.26 -4.24 118.16 113.69 1k8h n LYS 2 Ca 0.00 0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 57.24 1k8h n LYS 2 Cb 0.00 -5.72 -0.01 0.00 -0.02 0.00 0.00 35.03 29.28 1k8h n LYS 2 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k8h n SER 3 N -2.23 -7.21 -4.26 4.39 2.88 -1.26 -4.95 113.62 100.98 1k8h n SER 3 Ca -0.18 1.71 -0.40 0.00 -1.33 0.00 0.00 58.87 58.67 1k8h n SER 3 Cb 0.66 -5.16 -0.10 0.00 -0.75 0.00 0.00 64.21 58.86 1k8h n SER 3 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1k8h s ASP 4 N -0.60 5.62 -0.19 -3.46 1.11 -1.26 -4.82 116.67 113.05 1k8h s ASP 4 Ca -0.07 -1.56 -0.04 0.00 0.18 0.00 0.00 52.55 51.06 1k8h s ASP 4 Cb 0.00 -1.98 0.10 0.00 1.07 0.00 0.00 42.92 42.11 1k8h s ASP 4 CO 0.19 -0.55 0.28 -0.54 1.18 0.00 0.00 175.17 175.74 1k8h s LYS 5 N 1.41 0.23 -0.22 8.23 1.02 -1.26 -5.09 119.74 124.05 1k8h s LYS 5 Ca 0.03 0.48 -0.08 0.00 0.02 0.00 0.00 55.97 56.43 1k8h s LYS 5 Cb -0.23 -0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1k8h s LYS 5 CO 0.02 -0.53 0.08 0.42 -0.92 0.00 0.00 175.35 174.42 1k8h s ILE 6 N 2.42 4.71 -0.12 2.17 1.01 -1.26 -3.97 121.20 126.16 1k8h s ILE 6 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1k8h s ILE 6 Cb -0.14 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1k8h s ILE 6 CO -0.12 0.39 -0.17 -0.63 0.00 0.00 0.00 174.94 174.40 1k8h s ILE 7 N 1.01 1.66 0.08 2.92 -1.09 -1.14 -5.06 121.20 119.58 1k8h s ILE 7 Ca 0.05 -0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 57.51 1k8h s ILE 7 Cb -0.14 -1.51 -0.07 0.00 -1.58 0.00 0.00 42.46 39.17 1k8h s ILE 7 CO 0.03 0.47 0.67 -2.16 -1.23 0.00 0.00 174.94 172.73 1k8h s PRO 8 N 0.99 4.39 0.14 2.79 0.04 -1.26 -2.24 135.00 139.85 1k8h s PRO 8 Ca -0.05 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 1k8h s PRO 8 Cb -0.15 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1k8h s PRO 8 CO -0.03 0.51 0.05 0.42 0.04 0.00 0.00 177.00 177.98 1k8h s ILE 9 N -0.77 0.24 0.41 0.56 -1.09 -1.02 -4.96 121.20 114.57 1k8h s ILE 9 Ca 0.33 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 56.82 1k8h s ILE 9 Cb -0.21 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.59 1k8h s ILE 9 CO 0.22 -0.45 0.00 0.00 -1.23 0.00 0.00 174.94 173.48 1k8h n ALA 10 N -0.14 -2.73 0.00 9.38 0.00 -1.23 -2.04 120.51 123.75 1k8h n ALA 10 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1k8h n ALA 10 Cb 0.64 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1k8h n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k8h n GLU 11 N -3.76 0.00 -3.53 0.00 4.07 -0.74 -4.32 120.64 112.36 1k8h n GLU 11 Ca -0.06 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.97 1k8h n GLU 11 Cb 0.44 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.80 1k8h n GLU 11 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1k8h s ASN 12 N 0.00 -0.31 0.00 4.31 -0.87 -1.24 -4.91 114.94 111.92 1k8h s ASN 12 Ca 0.00 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 1k8h s ASN 12 Cb 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 41.25 41.55 1k8h s ASN 12 CO 0.00 -0.52 0.44 1.17 -2.57 0.00 0.00 177.10 175.63 1k8h n LYS 13 N -0.18 0.00 -0.02 -0.60 4.81 -1.26 -4.88 118.16 116.03 1k8h n LYS 13 Ca -0.06 -0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.13 1k8h n LYS 13 Cb 0.61 -0.07 -0.10 0.00 0.02 0.00 0.00 35.03 35.49 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 0.02 -0.44 1.64 4.57 -1.98 -3.27 114.58 115.12 1k8h h GLU 14 Ca 0.00 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 1k8h h GLU 14 Cb 1.04 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.54 1k8h h GLU 14 CO 0.00 0.54 -0.19 0.00 -1.18 0.00 0.00 179.01 178.18 1k8h h ALA 15 N 0.48 0.15 -0.57 2.92 0.00 -1.92 -0.21 119.26 120.11 1k8h h ALA 15 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1k8h h ALA 15 Cb 0.54 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1k8h h ALA 15 CO 0.00 -0.54 -0.07 0.87 0.00 0.00 0.00 179.25 179.51 1k8h h LYS 16 N -0.10 0.05 0.39 0.00 1.79 -1.66 1.27 116.57 118.31 1k8h h LYS 16 Ca 0.21 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1k8h h LYS 16 Cb 0.43 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1k8h h LYS 16 CO -0.51 0.03 -0.19 0.00 -1.08 0.00 0.00 179.45 177.71 1k8h h ALA 17 N 1.55 -0.63 -0.28 3.86 0.00 -1.39 -3.33 119.26 119.04 1k8h h ALA 17 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k8h h ALA 17 Cb 0.45 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k8h h ALA 17 CO -0.54 -0.59 0.00 1.17 0.00 0.00 0.00 179.25 179.29 1k8h n LYS 18 N -4.53 2.73 -3.65 0.00 3.00 -0.17 -4.81 118.16 110.74 1k8h n LYS 18 Ca -0.07 -1.46 -0.05 0.00 -0.00 0.00 0.00 58.31 56.73 1k8h n LYS 18 Cb 0.21 -1.80 -0.06 0.00 0.00 0.00 0.00 35.03 33.37 1k8h n LYS 18 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1k8h s TYR 19 N -1.80 -1.12 -0.04 5.64 2.02 0.44 -4.85 117.35 117.63 1k8h s TYR 19 Ca 0.25 2.15 -0.30 0.00 -0.37 0.00 0.00 57.07 58.80 1k8h s TYR 19 Cb 0.19 0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 42.37 1k8h s TYR 19 CO 0.08 -0.56 1.28 -0.51 -1.57 0.00 0.00 175.55 174.27 1k8h s ASP 20 N 2.00 6.97 0.38 2.29 1.01 -1.26 -3.79 116.67 124.27 1k8h s ASP 20 Ca -0.09 1.91 -0.20 0.00 0.71 0.00 0.00 52.55 54.89 1k8h s ASP 20 Cb -0.07 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 1k8h s ASP 20 CO -0.19 -0.64 0.88 -0.63 0.21 0.00 0.00 175.17 174.79 1k8h s ILE 21 N 2.37 4.45 0.18 0.77 1.09 -1.26 -2.13 121.20 126.68 1k8h s ILE 21 Ca 0.59 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 61.51 1k8h s ILE 21 Cb -0.27 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 1k8h s ILE 21 CO 0.23 -0.20 0.00 -0.11 -0.10 0.00 0.00 174.94 174.76 1k8h n LEU 22 N -0.35 -0.05 -4.13 2.97 -0.00 -1.06 -4.97 117.00 109.41 1k8h n LEU 22 Ca 0.05 0.31 -0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1k8h n LEU 22 Cb 0.53 0.23 -0.13 0.00 -0.00 0.00 0.00 43.42 44.06 1k8h n LEU 22 CO 0.39 -0.69 -0.45 -1.83 -0.00 0.00 0.00 177.39 174.81 1k8h s GLU 23 N -1.65 0.81 0.44 1.96 -1.05 -1.23 -5.04 118.70 112.94 1k8h s GLU 23 Ca 0.00 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 54.07 1k8h s GLU 23 Cb 0.00 -0.78 -0.05 0.00 -0.44 0.00 0.00 34.13 32.85 1k8h s GLU 23 CO 0.00 0.18 0.05 0.95 0.95 0.00 0.00 175.26 177.39 1k8h s THR 24 N -1.04 1.79 0.14 1.83 -4.23 -1.26 -1.18 115.64 111.68 1k8h s THR 24 Ca -0.01 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1k8h s THR 24 Cb -0.09 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1k8h s THR 24 CO 0.01 0.00 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.58 1k8h s TYR 25 N -2.75 1.07 -0.11 3.99 5.04 -0.69 -4.94 117.35 118.96 1k8h s TYR 25 Ca 0.27 -0.94 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 1k8h s TYR 25 Cb 0.06 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.78 1k8h s TYR 25 CO 0.14 -0.15 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.05 1k8h s GLU 26 N -3.86 2.27 0.08 4.97 -6.30 -1.26 -2.77 118.70 111.83 1k8h s GLU 26 Ca 0.17 -0.58 0.03 0.00 -2.50 0.00 0.00 54.97 52.10 1k8h s GLU 26 Cb 0.05 -1.94 -0.03 0.00 0.00 0.00 0.00 34.13 32.21 1k8h s GLU 26 CO -0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 175.26 175.11 1k8h s ALA 27 N 1.03 0.91 -0.13 6.30 0.00 -1.06 -4.87 121.76 123.94 1k8h s ALA 27 Ca -0.05 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1k8h s ALA 27 Cb -0.15 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1k8h s ALA 27 CO -0.03 -0.06 -0.18 0.20 0.00 0.00 0.00 175.76 175.69 1k8h s GLY 28 N -2.27 1.21 0.08 0.00 0.00 -1.22 -1.38 107.32 103.74 1k8h s GLY 28 Ca 0.02 -0.94 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 1k8h s GLY 28 CO -0.01 0.15 0.60 -0.42 0.00 0.00 0.00 173.10 173.42 1k8h s ILE 29 N 0.98 4.70 -0.46 0.90 1.09 -0.55 -1.67 121.20 126.19 1k8h s ILE 29 Ca -0.05 1.29 0.03 0.00 -1.10 0.00 0.00 60.65 60.82 1k8h s ILE 29 Cb -0.15 -3.93 0.13 0.00 -1.06 0.00 0.00 42.46 37.45 1k8h s ILE 29 CO -0.03 0.54 0.23 0.68 -0.10 0.00 0.00 174.94 176.26 1k8h s VAL 30 N -1.04 1.90 1.01 2.92 -7.23 -1.24 -3.92 120.40 112.80 1k8h s VAL 30 Ca 0.30 -2.81 -0.14 0.00 -1.81 0.00 0.00 61.98 57.52 1k8h s VAL 30 Cb -0.20 -2.33 0.17 0.00 0.56 0.00 0.00 36.38 34.58 1k8h s VAL 30 CO 0.20 -0.84 0.30 0.18 -0.31 0.00 0.00 175.10 174.63 1k8h n LEU 31 N 3.45 -1.39 -3.24 1.32 7.99 -1.26 -4.85 117.00 119.01 1k8h n LEU 31 Ca 0.06 -0.38 -0.04 0.00 -0.01 0.00 0.00 56.01 55.65 1k8h n LEU 31 Cb 0.34 -0.77 -0.03 0.00 -0.11 0.00 0.00 43.42 42.85 1k8h n LEU 31 CO 0.28 -3.25 0.00 -0.54 -1.51 0.00 0.00 177.39 172.38 1k8h s LYS 32 N -3.46 0.57 0.00 3.23 1.02 -1.26 -5.06 119.74 114.78 1k8h s LYS 32 Ca 0.37 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1k8h s LYS 32 Cb -0.06 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1k8h s LYS 32 CO 0.35 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 1k8h n GLY 33 N 5.04 0.04 1.92 -3.33 0.00 -1.26 -4.65 105.19 102.95 1k8h n GLY 33 Ca 0.05 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k8h n SER 34 N 0.00 4.64 -0.02 1.61 3.41 -1.26 -4.45 113.62 117.54 1k8h n SER 34 Ca 0.00 -3.11 -0.13 0.00 -0.26 0.00 0.00 58.87 55.37 1k8h n SER 34 Cb 0.00 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k8h h GLU 35 N 2.49 0.04 -0.53 4.33 5.08 -1.99 -2.11 114.58 121.89 1k8h h GLU 35 Ca 0.25 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 1k8h h GLU 35 Cb 2.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.37 1k8h h GLU 35 CO 0.69 0.53 -0.12 0.28 -1.00 0.00 0.00 179.01 179.39 1k8h h VAL 36 N -0.44 0.48 -0.02 3.13 2.07 -1.96 -1.68 116.25 117.84 1k8h h VAL 36 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1k8h h VAL 36 Cb 0.52 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1k8h h VAL 36 CO 0.00 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.69 1k8h h LYS 37 N 0.01 0.04 -0.28 1.57 1.57 -1.88 -1.87 116.57 115.74 1k8h h LYS 37 Ca 0.26 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1k8h h LYS 37 Cb 0.39 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 1k8h h LYS 37 CO -0.54 0.46 -0.34 1.03 -0.57 0.00 0.00 179.45 179.49 1k8h h SER 38 N -0.38 -1.11 -0.08 0.86 0.87 -1.00 -0.06 113.55 112.66 1k8h h SER 38 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1k8h h SER 38 Cb 0.45 0.49 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1k8h h SER 38 CO 0.00 -0.35 0.03 -0.07 -0.53 0.00 0.00 176.83 175.91 1k8h h LEU 39 N -0.33 0.11 -0.56 2.23 3.38 -1.40 -2.98 115.31 115.76 1k8h h LEU 39 Ca 0.13 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1k8h h LEU 39 Cb 0.55 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1k8h h LEU 39 CO -0.46 0.26 -0.10 -0.09 0.09 0.00 0.00 178.44 178.14 1k8h h ARG 40 N -0.05 0.03 0.12 1.13 2.43 -0.86 -2.37 114.38 114.81 1k8h h ARG 40 Ca 0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1k8h h ARG 40 Cb 0.19 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1k8h h ARG 40 CO -0.00 0.02 -0.21 0.93 -1.51 0.00 0.00 179.97 179.20 1k8h h GLU 41 N 0.03 -0.34 -0.34 0.20 4.39 -0.94 -3.44 114.58 114.14 1k8h h GLU 41 Ca 0.27 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1k8h h GLU 41 Cb 0.42 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.00 1k8h h GLU 41 CO -0.55 -0.23 -0.19 0.21 -1.16 0.00 0.00 179.01 177.09 1k8h s LYS 42 N -4.13 0.36 0.12 2.33 2.20 -1.05 -5.13 119.74 114.45 1k8h s LYS 42 Ca -0.07 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 1k8h s LYS 42 Cb 0.02 -0.01 -0.06 0.00 -1.51 0.00 0.00 37.83 36.26 1k8h s LYS 42 CO 0.24 -0.45 0.49 0.20 -0.36 0.00 0.00 175.35 175.47 1k8h s GLY 43 N 1.01 2.41 0.45 5.54 0.00 -0.92 -4.64 107.32 111.17 1k8h s GLY 43 Ca 0.24 -0.23 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1k8h s GLY 43 CO -0.10 0.02 0.44 -1.59 0.00 0.00 0.00 173.10 171.87 1k8h s THR 44 N -1.45 2.50 -0.28 0.90 2.01 -1.26 -5.02 115.64 113.03 1k8h s THR 44 Ca 0.36 -1.30 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1k8h s THR 44 Cb -0.14 -2.80 0.16 0.00 0.01 0.00 0.00 72.50 69.72 1k8h s THR 44 CO 0.19 0.00 0.42 -0.69 -0.69 0.00 0.00 174.62 173.84 1k8h s VAL 45 N -2.52 -0.65 -0.56 3.82 1.01 -1.26 -4.06 120.40 116.17 1k8h s VAL 45 Ca 0.48 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 1k8h s VAL 45 Cb -0.04 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1k8h s VAL 45 CO 0.28 -0.25 1.41 -0.44 0.00 0.00 0.00 175.10 176.10 1k8h s SER 46 N 2.56 6.14 0.93 3.32 0.01 -1.26 -4.85 113.70 120.54 1k8h s SER 46 Ca 0.10 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1k8h s SER 46 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1k8h s SER 46 CO -0.28 -1.70 0.00 0.49 0.41 0.00 0.00 173.24 172.15 1k8h n PHE 47 N 9.55 -1.99 -4.57 2.43 3.72 -1.26 -4.41 117.46 120.93 1k8h n PHE 47 Ca 0.12 0.04 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 1k8h n PHE 47 Cb 0.49 0.19 -0.15 0.00 -0.94 0.00 0.00 39.48 39.08 1k8h n PHE 47 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1k8h s LYS 48 N -0.06 1.09 -0.07 -1.08 0.00 -1.26 -4.83 119.74 113.54 1k8h s LYS 48 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 55.97 55.42 1k8h s LYS 48 Cb 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 37.83 36.84 1k8h s LYS 48 CO 0.00 0.29 0.66 -3.47 0.00 0.00 0.00 175.35 172.83 1k8h n ASP 49 N 2.51 -0.34 -4.34 0.03 2.03 -1.26 -4.98 116.55 110.19 1k8h n ASP 49 Ca -0.15 -1.14 -0.34 0.00 0.52 0.00 0.00 54.79 53.68 1k8h n ASP 49 Cb 0.55 0.15 -0.14 0.00 -0.72 0.00 0.00 41.12 40.96 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1k8h s SER 50 N -0.27 4.14 0.39 1.67 1.04 -1.26 -2.62 113.70 116.78 1k8h s SER 50 Ca 0.02 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.17 1k8h s SER 50 Cb 0.09 -1.67 -0.06 0.00 0.10 0.00 0.00 66.02 64.48 1k8h s SER 50 CO -0.03 0.08 0.08 -0.36 0.98 0.00 0.00 173.24 173.99 1k8h s PHE 51 N 0.85 2.56 -0.12 5.02 0.08 -0.03 -4.51 117.98 121.83 1k8h s PHE 51 Ca -0.03 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.48 1k8h s PHE 51 Cb -0.15 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1k8h s PHE 51 CO 0.01 0.36 -0.17 0.54 -0.10 0.00 0.00 175.22 175.85 1k8h s VAL 52 N -2.61 1.67 -0.12 -0.44 0.11 -1.22 -1.31 120.40 116.49 1k8h s VAL 52 Ca 0.37 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1k8h s VAL 52 Cb 0.04 -1.51 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1k8h s VAL 52 CO 0.20 0.48 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.68 1k8h s ARG 53 N 0.97 2.36 -0.06 1.54 3.52 -0.77 -4.26 118.95 122.25 1k8h s ARG 53 Ca -0.06 -0.61 -0.28 0.00 -0.13 0.00 0.00 55.73 54.65 1k8h s ARG 53 Cb -0.15 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1k8h s ARG 53 CO -0.02 -0.07 0.91 0.96 -0.81 0.00 0.00 175.30 176.27 1k8h s ILE 54 N 0.99 4.88 0.03 4.11 -4.36 -1.26 -2.16 121.20 123.44 1k8h s ILE 54 Ca -0.06 1.87 0.05 0.00 -0.26 0.00 0.00 60.65 62.25 1k8h s ILE 54 Cb -0.15 -4.24 -0.03 0.00 1.25 0.00 0.00 42.46 39.29 1k8h s ILE 54 CO -0.02 0.12 -0.10 -1.61 0.24 0.00 0.00 174.94 173.57 1k8h s GLU 55 N 1.39 2.36 -0.87 0.37 0.41 -0.95 -4.89 118.70 116.52 1k8h s GLU 55 Ca 0.46 -0.85 -0.19 0.00 -0.41 0.00 0.00 54.97 53.99 1k8h s GLU 55 Cb -0.19 -2.39 -0.24 0.00 -1.78 0.00 0.00 34.13 29.53 1k8h s GLU 55 CO 0.21 0.57 2.15 -1.71 -0.49 0.00 0.00 175.26 175.99 1k8h n ASN 56 N 1.35 -0.42 0.00 -0.19 2.85 -1.26 -1.72 115.26 115.87 1k8h n ASN 56 Ca -0.15 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1k8h n ASN 56 Cb 0.52 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.89 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 5.30 1.84 3.38 8.20 0.00 -1.26 -5.11 105.19 117.54 1k8h n GLY 57 Ca 0.58 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 1.64 -0.01 1.61 8.01 -0.70 -4.39 118.70 124.87 1k8h s GLU 58 Ca 0.00 -1.72 -0.30 0.00 0.01 0.00 0.00 54.97 52.96 1k8h s GLU 58 Cb 0.00 0.37 -0.03 0.00 -4.31 0.00 0.00 34.13 30.16 1k8h s GLU 58 CO 0.00 -0.63 1.06 0.00 0.01 0.00 0.00 175.26 175.70 1k8h s ALA 59 N -3.57 3.29 0.10 5.21 0.00 -0.94 -2.23 121.76 123.62 1k8h s ALA 59 Ca 0.34 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1k8h s ALA 59 Cb 0.02 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1k8h s ALA 59 CO 0.18 -0.39 0.04 -1.58 0.00 0.00 0.00 175.76 174.01 1k8h s TRP 60 N 1.30 3.07 -0.08 0.00 0.52 -0.92 -1.25 118.94 121.58 1k8h s TRP 60 Ca 0.53 0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.69 1k8h s TRP 60 Cb -0.23 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.54 1k8h s TRP 60 CO 0.26 0.50 -0.17 -1.17 0.02 0.00 0.00 176.95 176.39 1k8h s LEU 61 N -2.46 1.82 -0.12 2.99 0.20 -0.81 -1.85 118.68 118.44 1k8h s LEU 61 Ca 0.28 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.71 1k8h s LEU 61 Cb -0.12 -1.07 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1k8h s LEU 61 CO 0.20 0.08 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.86 1k8h s TYR 62 N 0.56 2.22 -0.14 5.38 1.51 -0.43 -1.19 117.35 125.27 1k8h s TYR 62 Ca -0.16 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 54.84 1k8h s TYR 62 Cb -0.17 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1k8h s TYR 62 CO 0.05 -0.54 -0.21 -0.80 -1.11 0.00 0.00 175.55 172.94 1k8h s ASN 63 N 0.96 3.05 -0.47 2.29 0.01 -1.06 -0.85 114.94 118.87 1k8h s ASN 63 Ca -0.06 -0.59 0.08 0.00 -0.71 0.00 0.00 52.86 51.58 1k8h s ASN 63 Cb -0.15 -1.41 0.38 0.00 0.41 0.00 0.00 41.25 40.48 1k8h s ASN 63 CO -0.02 0.07 0.97 0.18 -1.51 0.00 0.00 177.10 176.78 1k8h n LEU 64 N 4.09 3.61 0.00 0.60 4.32 -1.08 -3.20 117.00 125.34 1k8h n LEU 64 Ca -0.20 -5.19 0.00 0.00 -0.02 0.00 0.00 56.01 50.60 1k8h n LEU 64 Cb 0.51 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1k8h n LEU 64 CO 0.27 2.21 0.00 -1.22 -1.22 0.00 0.00 177.39 177.43 1k8h n TYR 65 N -0.22 0.00 -3.78 -1.77 4.02 -1.26 -4.66 117.16 109.49 1k8h n TYR 65 Ca 0.30 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 58.05 1k8h n TYR 65 Cb 0.57 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.75 1k8h n TYR 65 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1k8h s ILE 66 N 0.00 -0.04 -0.55 -0.72 1.09 -1.26 -4.16 121.20 115.56 1k8h s ILE 66 Ca 0.00 0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.74 1k8h s ILE 66 Cb 0.00 -0.16 0.18 0.00 -1.06 0.00 0.00 42.46 41.43 1k8h s ILE 66 CO 0.00 0.06 0.45 0.00 -0.10 0.00 0.00 174.94 175.35 1k8h n ALA 67 N 3.85 3.15 -1.09 9.38 0.00 -1.26 -4.75 120.51 129.78 1k8h n ALA 67 Ca -0.23 -3.84 -0.03 0.00 0.00 0.00 0.00 53.44 49.34 1k8h n ALA 67 Cb 0.54 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 19.14 1k8h n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k8h n PRO 68 N 2.20 -0.57 -1.43 0.00 -0.04 -1.26 -4.29 135.00 129.61 1k8h n PRO 68 Ca 0.25 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1k8h n PRO 68 Cb 0.43 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 1k8h n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1k8h n TYR 69 N -2.47 -3.92 0.00 0.54 4.02 -1.26 -4.85 117.16 109.23 1k8h n TYR 69 Ca 0.02 2.12 0.00 0.00 -0.01 0.00 0.00 57.90 60.03 1k8h n TYR 69 Cb 0.09 -3.32 0.00 0.00 -0.02 0.00 0.00 39.34 36.09 1k8h n TYR 69 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1k8h n LYS 70 N -2.27 0.00 -0.66 -0.72 0.00 -1.26 -4.89 118.16 108.36 1k8h n LYS 70 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 58.31 58.22 1k8h n LYS 70 Cb 0.37 -0.60 0.17 0.00 0.00 0.00 0.00 35.03 34.97 1k8h n LYS 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1k8h n HIS 71 N -2.36 -3.57 -4.11 5.64 1.44 -1.26 -5.09 115.22 105.91 1k8h n HIS 71 Ca 0.00 -0.65 -0.05 0.00 -2.01 0.00 0.00 57.72 55.01 1k8h n HIS 71 Cb 0.00 -0.75 -0.01 0.00 0.12 0.00 0.00 29.99 29.35 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k8h n ALA 72 N -4.27 0.07 -3.00 1.59 0.00 -1.26 -5.16 120.51 108.48 1k8h n ALA 72 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1k8h n ALA 72 Cb 0.39 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1k8h n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k8h n THR 73 N -0.19 0.00 -0.42 0.00 -1.04 -1.26 -5.02 114.28 106.35 1k8h n THR 73 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.83 1k8h n THR 73 Cb 0.10 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.71 1k8h n THR 73 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1k8h n ILE 74 N 0.00 2.40 -2.68 12.58 -5.35 -1.26 -4.94 119.36 120.12 1k8h n ILE 74 Ca 0.00 -1.25 -0.04 0.00 -0.27 0.00 0.00 62.75 61.18 1k8h n ILE 74 Cb 0.00 -0.79 -0.04 0.00 -1.74 0.00 0.00 39.64 37.08 1k8h n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1k8h n GLU 75 N -0.38 -4.10 -1.17 6.28 1.02 -1.26 -5.01 120.64 116.02 1k8h n GLU 75 Ca 0.35 3.14 -0.05 0.00 -0.02 0.00 0.00 57.16 60.59 1k8h n GLU 75 Cb 1.10 -4.73 -0.03 0.00 -0.02 0.00 0.00 31.44 27.76 1k8h n GLU 75 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1k8h n ASN 76 N 1.60 -0.86 -4.23 1.62 4.13 -1.26 -5.15 115.26 111.12 1k8h n ASN 76 Ca -0.31 -1.65 -0.13 0.00 1.68 0.00 0.00 54.58 54.16 1k8h n ASN 76 Cb 0.49 0.29 -0.10 0.00 -1.54 0.00 0.00 39.78 38.93 1k8h n ASN 76 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1k8h s HIS 77 N 0.02 1.18 -0.06 3.10 3.76 -1.26 -5.16 115.29 116.86 1k8h s HIS 77 Ca 0.01 -1.18 0.03 0.00 -0.15 0.00 0.00 55.06 53.78 1k8h s HIS 77 Cb 0.06 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 33.10 1k8h s HIS 77 CO -0.02 -0.40 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.80 1k8h s ASP 78 N -3.17 2.14 0.01 1.40 1.11 -1.26 -5.04 116.67 111.85 1k8h s ASP 78 Ca 0.30 -0.36 -0.19 0.00 0.18 0.00 0.00 52.55 52.47 1k8h s ASP 78 Cb 0.07 -0.85 -0.25 0.00 1.07 0.00 0.00 42.92 42.96 1k8h s ASP 78 CO 0.07 0.10 1.08 1.55 1.18 0.00 0.00 175.17 179.15 1k8h h PRO 79 N 6.68 0.43 -7.01 8.23 0.13 -2.01 -3.45 132.00 134.98 1k8h h PRO 79 Ca -0.29 -0.49 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 1k8h h PRO 79 Cb 1.19 0.14 0.09 0.00 0.13 0.00 0.00 31.00 32.56 1k8h h PRO 79 CO 0.47 1.15 0.55 -1.17 -0.23 0.00 0.00 178.00 178.77 1k8h s LEU 80 N -8.25 3.98 -0.14 1.56 2.96 -1.26 -4.62 118.68 112.91 1k8h s LEU 80 Ca -0.13 2.53 -0.34 0.00 -0.22 0.00 0.00 54.13 55.97 1k8h s LEU 80 Cb 0.04 -4.21 0.14 0.00 0.50 0.00 0.00 46.19 42.66 1k8h s LEU 80 CO 0.84 -1.16 1.33 0.00 -1.32 0.00 0.00 176.35 176.04 1k8h s ARG 81 N -2.72 0.19 0.16 1.98 1.70 -1.19 -5.10 118.95 113.97 1k8h s ARG 81 Ca 0.66 -0.09 -0.02 0.00 -0.47 0.00 0.00 55.73 55.80 1k8h s ARG 81 Cb -0.34 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.08 1k8h s ARG 81 CO 0.42 -0.09 0.11 -1.59 -1.08 0.00 0.00 175.30 173.07 1k8h s LYS 82 N -2.23 1.04 0.09 3.89 0.00 -1.26 -2.55 119.74 118.72 1k8h s LYS 82 Ca 0.13 -1.45 0.02 0.00 0.00 0.00 0.00 55.97 54.67 1k8h s LYS 82 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 38.10 1k8h s LYS 82 CO -0.04 -0.32 -0.08 1.03 0.00 0.00 0.00 175.35 175.93 1k8h s ARG 83 N -4.06 0.77 -0.21 1.78 0.52 -0.33 -5.01 118.95 112.40 1k8h s ARG 83 Ca 0.27 -1.16 -0.07 0.00 -0.52 0.00 0.00 55.73 54.25 1k8h s ARG 83 Cb 0.07 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.18 1k8h s ARG 83 CO 0.04 0.03 0.05 -1.59 0.02 0.00 0.00 175.30 173.85 1k8h s LYS 84 N -3.04 3.76 -0.20 3.54 -2.85 -1.26 -1.93 119.74 117.75 1k8h s LYS 84 Ca 0.05 -0.44 -0.06 0.00 -1.00 0.00 0.00 55.97 54.52 1k8h s LYS 84 Cb -0.00 -3.22 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 1k8h s LYS 84 CO -0.02 0.03 0.02 -0.51 0.10 0.00 0.00 175.35 174.97 1k8h s LEU 85 N 1.01 3.37 0.79 2.77 1.43 -0.38 -3.62 118.68 124.05 1k8h s LEU 85 Ca 0.03 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1k8h s LEU 85 Cb -0.14 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1k8h s LEU 85 CO 0.03 0.07 1.09 -0.22 0.23 0.00 0.00 176.35 177.55 1k8h s LEU 86 N 0.96 2.89 0.00 1.79 2.96 -0.67 -2.22 118.68 124.39 1k8h s LEU 86 Ca 0.02 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1k8h s LEU 86 Cb -0.14 -4.38 0.00 0.00 0.50 0.00 0.00 46.19 42.16 1k8h s LEU 86 CO 0.02 -2.07 0.00 -0.11 -1.32 0.00 0.00 176.35 172.87 1k8h n LEU 87 N -3.54 0.00 0.00 -0.68 -0.00 -1.26 -3.45 117.00 108.07 1k8h n LEU 87 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1k8h n LEU 87 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1k8h n LEU 87 CO 0.54 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.50 1k8h n HIS 88 N 0.00 0.00 0.00 1.96 -0.00 -1.26 -5.00 115.22 110.92 1k8h n HIS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1k8h n HIS 88 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 1k8h n HIS 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1k8h n LYS 89 N -1.81 0.00 -0.12 1.57 5.02 -1.26 -4.99 118.16 116.57 1k8h n LYS 89 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1k8h n LYS 89 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.00 0.05 -0.52 1.97 2.43 -1.99 -2.39 114.38 113.93 1k8h h ARG 90 Ca 0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1k8h h ARG 90 Cb 0.00 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.44 1k8h h ARG 90 CO 0.00 0.03 -0.13 0.93 -1.51 0.00 0.00 179.97 179.30 1k8h h GLU 91 N 0.05 0.00 -0.15 0.20 5.08 -1.97 -1.75 114.58 116.04 1k8h h GLU 91 Ca 0.20 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1k8h h GLU 91 Cb 0.29 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1k8h h GLU 91 CO -0.37 0.00 -0.13 0.82 -1.00 0.00 0.00 179.01 178.33 1k8h h ILE 92 N 0.00 0.63 0.27 3.13 1.08 -1.74 -0.52 117.51 120.35 1k8h h ILE 92 Ca 0.25 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.72 1k8h h ILE 92 Cb 0.38 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1k8h h ILE 92 CO -0.53 0.00 -0.31 -0.03 -0.69 0.00 0.00 178.15 176.58 1k8h h MET 93 N -0.15 -0.57 -0.51 2.37 4.05 -1.13 -0.63 114.93 118.36 1k8h h MET 93 Ca 0.10 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.66 1k8h h MET 93 Cb 0.29 0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 31.13 1k8h h MET 93 CO -0.24 -0.38 -0.12 0.00 0.23 0.00 0.00 176.91 176.40 1k8h h ARG 94 N -0.59 0.01 -0.29 0.39 -0.00 -1.29 -1.86 114.38 110.74 1k8h h ARG 94 Ca -0.03 -0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.50 1k8h h ARG 94 Cb 0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.44 1k8h h ARG 94 CO -0.06 0.00 -0.07 -0.07 0.00 0.00 0.00 179.97 179.77 1k8h h LEU 95 N 0.01 -0.26 0.18 3.04 3.38 -0.93 -2.29 115.31 118.44 1k8h h LEU 95 Ca 0.24 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1k8h h LEU 95 Cb 0.37 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1k8h h LEU 95 CO -0.52 -0.09 -0.45 0.22 0.09 0.00 0.00 178.44 177.69 1k8h h TYR 96 N 0.00 -1.28 0.00 1.13 5.03 -0.30 -0.66 116.97 120.89 1k8h h TYR 96 Ca 0.14 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1k8h h TYR 96 Cb 0.21 0.54 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1k8h h TYR 96 CO -0.28 -0.56 0.00 0.41 -1.32 0.00 0.00 178.16 176.42 1k8h n GLY 97 N -1.48 -2.62 0.36 1.82 0.00 -0.94 -1.90 105.19 100.42 1k8h n GLY 97 Ca -0.08 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.57 0.00 1.61 3.11 -1.48 -0.69 116.57 118.56 1k8h h LYS 98 Ca 0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1k8h h LYS 98 Cb 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1k8h h LYS 98 CO 0.00 -0.38 0.00 0.28 -2.81 0.00 0.00 179.45 176.54 1k8h n VAL 99 N -4.68 0.00 0.24 2.00 0.31 -0.26 -1.24 118.33 114.70 1k8h n VAL 99 Ca -0.07 1.46 -0.16 0.00 -0.01 0.00 0.00 64.34 65.56 1k8h n VAL 99 Cb 0.31 -2.20 -0.08 0.00 -0.91 0.00 0.00 33.84 30.96 1k8h n VAL 99 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1k8h h GLN 100 N 0.00 -0.75 0.73 5.55 1.08 -1.46 1.14 115.11 121.41 1k8h h GLN 100 Ca 0.00 0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1k8h h GLN 100 Cb 0.00 0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1k8h h GLN 100 CO 0.00 -0.50 -0.36 0.93 -0.95 0.00 0.00 178.83 177.95 1k8h h GLU 101 N -0.78 -0.96 -0.57 1.46 5.08 -1.18 -3.23 114.58 114.41 1k8h h GLU 101 Ca -0.03 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1k8h h GLU 101 Cb 0.69 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.05 1k8h h GLU 101 CO -0.05 -0.64 -0.11 -0.22 -1.00 0.00 0.00 179.01 176.99 1k8h h LYS 102 N -1.00 0.03 0.00 2.33 3.11 -1.27 -3.45 116.57 116.32 1k8h h LYS 102 Ca -0.10 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1k8h h LYS 102 Cb 0.77 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1k8h h LYS 102 CO 0.16 0.02 0.00 0.41 -2.81 0.00 0.00 179.45 177.23 1k8h n GLY 103 N -1.38 -0.33 3.43 5.01 0.00 -0.97 -5.10 105.19 105.85 1k8h n GLY 103 Ca 0.07 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 0.05 1.61 1.51 0.39 -3.89 117.35 118.97 1k8h s TYR 104 Ca 0.00 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1k8h s TYR 104 Cb 0.00 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1k8h s TYR 104 CO 0.00 0.24 -0.12 0.99 -1.11 0.00 0.00 175.55 175.55 1k8h s THR 105 N -3.06 0.91 -0.11 -0.71 2.01 -1.03 -4.26 115.64 109.40 1k8h s THR 105 Ca 0.30 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1k8h s THR 105 Cb 0.04 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.67 1k8h s THR 105 CO 0.12 -0.23 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.03 1k8h s ILE 106 N -1.20 1.60 0.08 1.82 1.09 -1.26 -2.46 121.20 120.87 1k8h s ILE 106 Ca -0.04 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1k8h s ILE 106 Cb -0.09 -1.44 -0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1k8h s ILE 106 CO 0.01 0.46 -0.10 0.27 -0.10 0.00 0.00 174.94 175.49 1k8h s ILE 107 N 0.87 0.82 0.46 2.92 -4.36 -1.12 -3.43 121.20 117.36 1k8h s ILE 107 Ca -0.09 -1.46 -0.11 0.00 -0.26 0.00 0.00 60.65 58.73 1k8h s ILE 107 Cb -0.15 -1.13 -0.06 0.00 1.25 0.00 0.00 42.46 42.36 1k8h s ILE 107 CO -0.00 -0.49 0.84 -2.16 0.24 0.00 0.00 174.94 173.37 1k8h s PRO 108 N -2.40 3.78 0.00 0.37 0.05 -1.26 -1.90 135.00 133.63 1k8h s PRO 108 Ca 0.01 0.57 0.00 0.00 0.05 0.00 0.00 61.00 61.63 1k8h s PRO 108 Cb -0.05 -2.30 0.00 0.00 0.05 0.00 0.00 34.50 32.19 1k8h s PRO 108 CO -0.00 -0.15 0.00 1.28 0.05 0.00 0.00 177.00 178.18 1k8h n LEU 109 N -1.59 0.00 -4.07 -3.56 7.99 -0.66 -4.81 117.00 110.29 1k8h n LEU 109 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.74 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 0.49 0.00 -0.50 -1.59 -1.51 0.00 0.00 177.39 174.28 1k8h s LYS 110 N 0.36 2.33 -0.12 3.23 -2.85 -1.24 -1.79 119.74 119.66 1k8h s LYS 110 Ca 0.00 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 1k8h s LYS 110 Cb 0.00 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 1k8h s LYS 110 CO 0.00 -0.07 -0.15 -0.48 0.10 0.00 0.00 175.35 174.75 1k8h s LEU 111 N 1.00 1.73 0.08 2.77 0.05 -0.86 -2.78 118.68 120.66 1k8h s LEU 111 Ca -0.06 -0.45 0.03 0.00 0.05 0.00 0.00 54.13 53.70 1k8h s LEU 111 Cb -0.15 -1.13 -0.03 0.00 -2.05 0.00 0.00 46.19 42.83 1k8h s LEU 111 CO -0.02 0.00 -0.09 -0.72 -0.55 0.00 0.00 176.35 174.97 1k8h s TYR 112 N 1.10 0.92 -0.20 3.48 -0.85 -1.03 -2.44 117.35 118.34 1k8h s TYR 112 Ca -0.04 -0.63 -0.04 0.00 -0.52 0.00 0.00 57.07 55.84 1k8h s TYR 112 Cb -0.14 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.66 1k8h s TYR 112 CO -0.04 -0.05 -0.03 1.67 -1.52 0.00 0.00 175.55 175.58 1k8h s TRP 113 N -2.20 2.98 0.06 -3.49 -2.14 -0.95 -1.60 118.94 111.61 1k8h s TRP 113 Ca 0.01 -0.65 0.06 0.00 2.66 0.00 0.00 56.10 58.18 1k8h s TRP 113 Cb -0.04 -2.06 -0.04 0.00 -3.10 0.00 0.00 33.47 28.23 1k8h s TRP 113 CO -0.00 -0.35 -0.10 0.21 -2.66 0.00 0.00 176.95 174.05 1k8h s LYS 114 N 1.09 2.26 0.00 3.25 2.20 -0.51 -2.89 119.74 125.15 1k8h s LYS 114 Ca 0.02 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1k8h s LYS 114 Cb -0.15 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1k8h s LYS 114 CO 0.00 0.55 0.00 -1.71 -0.36 0.00 0.00 175.35 173.83 1k8h n ASN 115 N 1.14 0.00 0.00 1.43 5.15 -1.25 -2.69 115.26 119.04 1k8h n ASN 115 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k8h n ASN 116 N 2.39 0.00 -4.14 1.20 2.85 -1.26 -4.81 115.26 111.50 1k8h n ASN 116 Ca 0.00 -0.01 -0.09 0.00 -0.11 0.00 0.00 54.58 54.37 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 -0.54 -2.11 0.00 0.00 177.26 174.61 1k8h s LYS 117 N 0.00 0.76 0.06 1.20 1.02 -1.09 -5.04 119.74 116.65 1k8h s LYS 117 Ca 0.00 -1.30 -0.15 0.00 0.02 0.00 0.00 55.97 54.54 1k8h s LYS 117 Cb 0.00 0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1k8h s LYS 117 CO 0.00 -0.09 0.48 0.14 -0.92 0.00 0.00 175.35 174.96 1k8h s VAL 118 N -3.80 4.92 -0.11 3.17 -7.23 -1.25 -1.42 120.40 114.68 1k8h s VAL 118 Ca 0.11 0.88 0.01 0.00 -1.81 0.00 0.00 61.98 61.18 1k8h s VAL 118 Cb 0.07 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.27 1k8h s VAL 118 CO -0.06 0.45 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.50 1k8h s LYS 119 N -1.42 2.15 -0.12 4.82 1.02 -0.63 -1.49 119.74 124.08 1k8h s LYS 119 Ca 0.30 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.75 1k8h s LYS 119 Cb -0.17 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 1k8h s LYS 119 CO 0.17 -0.10 -0.08 0.54 -0.92 0.00 0.00 175.35 174.96 1k8h s VAL 120 N 1.10 3.58 -0.21 3.17 0.11 -0.48 -2.45 120.40 125.20 1k8h s VAL 120 Ca -0.04 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1k8h s VAL 120 Cb -0.14 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.16 1k8h s VAL 120 CO -0.03 0.53 0.06 -0.22 -3.33 0.00 0.00 175.10 172.11 1k8h s LEU 121 N -0.01 3.57 0.17 2.54 2.96 -1.12 -2.57 118.68 124.22 1k8h s LEU 121 Ca -0.01 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 1k8h s LEU 121 Cb -0.14 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1k8h s LEU 121 CO 0.03 0.07 -0.11 0.27 -1.32 0.00 0.00 176.35 175.28 1k8h s ILE 122 N 1.02 3.12 -0.03 6.68 -4.36 -1.11 -1.66 121.20 124.86 1k8h s ILE 122 Ca 0.04 -1.63 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 1k8h s ILE 122 Cb -0.14 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1k8h s ILE 122 CO 0.03 -0.07 -0.16 0.00 0.24 0.00 0.00 174.94 174.98 1k8h s ALA 123 N -1.60 1.36 -0.16 2.27 0.00 -0.80 -1.70 121.76 121.13 1k8h s ALA 123 Ca 0.24 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1k8h s ALA 123 Cb -0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1k8h s ALA 123 CO 0.14 0.28 -0.02 -0.51 0.00 0.00 0.00 175.76 175.65 1k8h s LEU 124 N -0.11 3.35 0.35 0.00 1.02 -0.33 -2.80 118.68 120.17 1k8h s LEU 124 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.09 1k8h s LEU 124 Cb -0.09 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 1k8h s LEU 124 CO 0.01 0.16 0.08 0.00 0.02 0.00 0.00 176.35 176.62 1k8h s ALA 125 N 0.41 2.55 0.09 4.21 0.00 -1.03 -2.57 121.76 125.43 1k8h s ALA 125 Ca -0.02 -1.74 -0.24 0.00 0.00 0.00 0.00 51.96 49.96 1k8h s ALA 125 Cb -0.14 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.61 1k8h s ALA 125 CO 0.02 -0.32 0.72 0.15 0.00 0.00 0.00 175.76 176.34 1k8h s LYS 126 N -3.85 4.46 -1.24 0.00 1.02 -0.91 -2.47 119.74 116.77 1k8h s LYS 126 Ca 0.32 1.02 -0.12 0.00 0.02 0.00 0.00 55.97 57.21 1k8h s LYS 126 Cb 0.07 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1k8h s LYS 126 CO 0.15 0.46 2.38 0.41 -0.92 0.00 0.00 175.35 177.83 1k8h n GLY 127 N 1.97 3.67 1.44 -3.33 0.00 -1.25 -4.36 105.19 103.32 1k8h n GLY 127 Ca -0.05 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 4.90 -3.56 -4.74 1.61 5.02 -1.26 -4.95 118.16 115.19 1k8h n LYS 128 Ca 0.58 2.83 -0.28 0.00 -2.02 0.00 0.00 58.31 59.42 1k8h n LYS 128 Cb 0.27 -3.77 -0.17 0.00 -0.02 0.00 0.00 35.03 31.34 1k8h n LYS 128 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k8h s LYS 129 N -4.81 2.26 -0.99 1.97 2.47 -1.26 -5.08 119.74 114.31 1k8h s LYS 129 Ca 0.00 -0.60 -0.15 0.00 -1.56 0.00 0.00 55.97 53.66 1k8h s LYS 129 Cb 0.00 -1.82 0.18 0.00 -1.46 0.00 0.00 37.83 34.73 1k8h s LYS 129 CO 0.00 0.05 1.11 -0.51 0.16 0.00 0.00 175.35 176.15 1k8h s LEU 130 N 0.66 5.63 0.00 5.43 2.01 -1.26 -4.58 118.68 126.57 1k8h s LEU 130 Ca -0.13 -2.61 0.00 0.00 0.01 0.00 0.00 54.13 51.40 1k8h s LEU 130 Cb -0.16 -2.33 0.00 0.00 0.01 0.00 0.00 46.19 43.71 1k8h s LEU 130 CO 0.04 -0.78 0.00 0.00 1.01 0.00 0.00 176.35 176.62 1k8h n TYR 131 N 5.24 0.00 -1.31 0.29 9.36 -1.26 -4.82 117.16 124.66 1k8h n TYR 131 Ca 0.24 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.22 1k8h n TYR 131 Cb 0.46 0.19 0.15 0.00 -0.63 0.00 0.00 39.34 39.51 1k8h n TYR 131 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1k8h n ASP 132 N -2.46 4.60 0.00 2.98 9.92 -1.26 -5.38 116.55 124.95 1k8h n ASP 132 Ca 0.00 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.58 1k8h n ASP 132 Cb 0.22 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 1k8h n ASP 132 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19