#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h s LYS 2 N 0.00 3.31 -0.13 1.61 2.20 -1.26 -4.80 119.74 120.67 1k8h s LYS 2 Ca 0.00 0.10 0.15 0.00 -0.36 0.00 0.00 55.97 55.86 1k8h s LYS 2 Cb 0.00 -4.12 0.32 0.00 -1.51 0.00 0.00 37.83 32.52 1k8h s LYS 2 CO 0.00 -1.96 1.16 -1.13 -0.36 0.00 0.00 175.35 173.06 1k8h n SER 3 N 9.20 1.66 -2.50 1.43 3.41 -1.26 -5.07 113.62 120.49 1k8h n SER 3 Ca 0.07 -3.12 -0.03 0.00 -0.26 0.00 0.00 58.87 55.54 1k8h n SER 3 Cb 0.49 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.92 -4.61 -4.22 4.04 8.00 -1.26 -4.94 116.55 112.65 1k8h n ASP 4 Ca 0.14 1.52 -0.40 0.00 0.71 0.00 0.00 54.79 56.76 1k8h n ASP 4 Cb 0.72 -4.76 -0.09 0.00 -0.02 0.00 0.00 41.12 36.97 1k8h n ASP 4 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1k8h s LYS 5 N -0.55 2.46 -0.15 -1.24 -0.14 -1.26 -5.06 119.74 113.80 1k8h s LYS 5 Ca -0.13 -1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 52.77 1k8h s LYS 5 Cb 0.01 -3.85 -0.02 0.00 -1.68 0.00 0.00 37.83 32.30 1k8h s LYS 5 CO 0.36 -1.12 -0.11 -1.50 -0.76 0.00 0.00 175.35 172.23 1k8h s ILE 6 N 1.35 3.19 -0.17 2.17 2.07 -1.26 -4.33 121.20 124.22 1k8h s ILE 6 Ca 0.05 -0.60 -0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1k8h s ILE 6 Cb -0.25 -2.36 -0.01 0.00 0.13 0.00 0.00 42.46 39.97 1k8h s ILE 6 CO -0.00 0.51 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.81 1k8h s ILE 7 N 0.50 3.15 0.29 2.00 -1.09 -1.16 -5.06 121.20 119.83 1k8h s ILE 7 Ca -0.08 -0.60 -0.24 0.00 -2.23 0.00 0.00 60.65 57.50 1k8h s ILE 7 Cb -0.15 -2.37 -0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1k8h s ILE 7 CO 0.04 0.48 0.88 -2.16 -1.23 0.00 0.00 174.94 172.95 1k8h s PRO 8 N 0.90 4.49 0.14 2.79 0.04 -1.26 -2.02 135.00 140.08 1k8h s PRO 8 Ca -0.02 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 1k8h s PRO 8 Cb -0.15 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1k8h s PRO 8 CO 0.00 0.32 0.04 0.42 0.04 0.00 0.00 177.00 177.82 1k8h s ILE 9 N -1.58 0.26 0.44 0.56 -1.09 -0.49 -4.30 121.20 115.00 1k8h s ILE 9 Ca 0.48 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 1k8h s ILE 9 Cb -0.18 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 1k8h s ILE 9 CO 0.23 -0.48 0.00 0.00 -1.23 0.00 0.00 174.94 173.46 1k8h n ALA 10 N -0.13 -3.31 0.00 9.38 0.00 -1.22 -2.16 120.51 123.07 1k8h n ALA 10 Ca -0.06 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1k8h n ALA 10 Cb 0.64 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.95 0.00 -4.43 0.00 2.13 -1.17 -4.53 120.64 108.70 1k8h n GLU 11 Ca -0.05 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.55 1k8h n GLU 11 Cb 0.59 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.21 1k8h n GLU 11 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1k8h s ASN 12 N 0.00 2.18 -0.11 4.31 -0.87 -1.12 -5.01 114.94 114.32 1k8h s ASN 12 Ca 0.00 -1.54 0.04 0.00 -1.57 0.00 0.00 52.86 49.79 1k8h s ASN 12 Cb 0.00 0.30 0.13 0.00 -0.02 0.00 0.00 41.25 41.66 1k8h s ASN 12 CO 0.00 -0.82 1.07 2.29 -2.57 0.00 0.00 177.10 177.06 1k8h n LYS 13 N -0.72 0.44 0.02 -0.60 0.00 -1.26 -4.85 118.16 111.18 1k8h n LYS 13 Ca -0.03 -0.93 -0.11 0.00 -0.00 0.00 0.00 58.31 57.24 1k8h n LYS 13 Cb 0.65 0.45 -0.06 0.00 -0.00 0.00 0.00 35.03 36.08 1k8h n LYS 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1k8h h GLU 14 N 0.32 0.02 0.35 -1.58 5.08 -1.98 -0.41 114.58 116.38 1k8h h GLU 14 Ca -0.45 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1k8h h GLU 14 Cb 1.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1k8h h GLU 14 CO -0.22 0.01 -0.44 0.00 -1.00 0.00 0.00 179.01 177.36 1k8h h ALA 15 N 1.05 -1.06 -0.42 3.43 0.00 -1.87 -1.66 119.26 118.73 1k8h h ALA 15 Ca 0.03 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1k8h h ALA 15 Cb 0.03 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1k8h h ALA 15 CO -0.05 -1.11 -0.07 -0.22 0.00 0.00 0.00 179.25 177.81 1k8h h LYS 16 N -0.81 0.03 -0.03 0.00 3.64 -1.69 0.37 116.57 118.08 1k8h h LYS 16 Ca -0.04 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1k8h h LYS 16 Cb 0.73 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1k8h h LYS 16 CO -0.10 0.02 -0.53 0.00 -2.27 0.00 0.00 179.45 176.57 1k8h h ALA 17 N 1.40 -0.91 -0.97 5.00 0.00 -0.84 -3.40 119.26 119.54 1k8h h ALA 17 Ca 0.21 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1k8h h ALA 17 Cb 0.31 0.95 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 1k8h h ALA 17 CO -0.40 -1.10 -0.58 1.63 0.00 0.00 0.00 179.25 178.80 1k8h n LYS 18 N -5.46 0.56 0.00 0.00 5.02 -0.64 -5.10 118.16 112.54 1k8h n LYS 18 Ca -0.07 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1k8h n LYS 18 Cb 0.39 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1k8h n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k8h n TYR 19 N 2.55 0.00 -2.37 2.13 4.01 0.13 -4.62 117.16 118.98 1k8h n TYR 19 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 1k8h n TYR 19 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.57 1k8h n TYR 19 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1k8h s ASP 20 N 0.00 6.97 0.38 7.72 1.01 -1.26 -4.06 116.67 127.43 1k8h s ASP 20 Ca 0.00 1.91 -0.18 0.00 0.71 0.00 0.00 52.55 55.00 1k8h s ASP 20 Cb 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1k8h s ASP 20 CO 0.00 -0.65 0.84 -0.63 0.21 0.00 0.00 175.17 174.94 1k8h s ILE 21 N 2.39 4.55 0.01 0.77 1.01 -1.26 -1.95 121.20 126.73 1k8h s ILE 21 Ca 0.59 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1k8h s ILE 21 Cb -0.27 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1k8h s ILE 21 CO 0.23 -0.27 0.00 -0.11 0.00 0.00 0.00 174.94 174.79 1k8h n LEU 22 N -0.55 0.03 -4.22 2.97 7.94 -0.98 -4.96 117.00 117.23 1k8h n LEU 22 Ca 0.05 0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.85 1k8h n LEU 22 Cb 0.54 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.39 1k8h n LEU 22 CO 0.40 -0.52 -0.37 -0.70 -1.11 0.00 0.00 177.39 175.09 1k8h s GLU 23 N -1.07 1.01 0.09 1.96 2.56 -1.26 -5.01 118.70 116.99 1k8h s GLU 23 Ca 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 54.97 53.55 1k8h s GLU 23 Cb 0.00 -0.34 -0.04 0.00 2.00 0.00 0.00 34.13 35.76 1k8h s GLU 23 CO 0.00 -0.04 -0.08 0.95 -0.56 0.00 0.00 175.26 175.52 1k8h s THR 24 N -3.56 0.76 0.31 -1.70 -4.23 -1.26 -0.86 115.64 105.10 1k8h s THR 24 Ca 0.18 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1k8h s THR 24 Cb 0.05 -1.31 -0.06 0.00 1.34 0.00 0.00 72.50 72.52 1k8h s THR 24 CO 0.00 -0.63 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.05 1k8h s TYR 25 N -2.63 2.21 -0.06 3.99 1.51 -0.30 -4.97 117.35 117.10 1k8h s TYR 25 Ca 0.04 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1k8h s TYR 25 Cb -0.01 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1k8h s TYR 25 CO -0.02 0.48 -0.15 -1.83 -1.11 0.00 0.00 175.55 172.92 1k8h s GLU 26 N -3.65 1.92 0.15 -0.62 -1.05 -1.26 -2.67 118.70 111.52 1k8h s GLU 26 Ca 0.31 -0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 54.59 1k8h s GLU 26 Cb 0.02 -1.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.10 1k8h s GLU 26 CO 0.14 0.11 0.06 0.00 0.95 0.00 0.00 175.26 176.53 1k8h s ALA 27 N 0.43 0.97 -0.12 -0.84 0.00 -1.11 -4.74 121.76 116.34 1k8h s ALA 27 Ca -0.12 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.33 1k8h s ALA 27 Cb -0.15 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1k8h s ALA 27 CO 0.04 -0.49 -0.17 0.20 0.00 0.00 0.00 175.76 175.34 1k8h s GLY 28 N -3.08 1.13 0.43 0.00 0.00 -1.14 -1.20 107.32 103.45 1k8h s GLY 28 Ca 0.27 -0.84 -0.15 0.00 0.00 0.00 0.00 44.72 43.99 1k8h s GLY 28 CO 0.04 0.18 0.86 -0.42 0.00 0.00 0.00 173.10 173.76 1k8h s ILE 29 N 0.97 4.62 -0.45 0.90 1.01 -0.78 -1.97 121.20 125.50 1k8h s ILE 29 Ca -0.06 1.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 1k8h s ILE 29 Cb -0.15 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.75 1k8h s ILE 29 CO -0.02 -0.48 0.30 0.68 0.00 0.00 0.00 174.94 175.42 1k8h s VAL 30 N -2.35 3.88 0.77 2.92 -7.23 -1.23 -4.33 120.40 112.82 1k8h s VAL 30 Ca 0.56 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1k8h s VAL 30 Cb -0.10 -3.59 -0.00 0.00 0.56 0.00 0.00 36.38 33.25 1k8h s VAL 30 CO 0.26 -0.75 0.69 0.18 -0.31 0.00 0.00 175.10 175.17 1k8h n LEU 31 N 4.76 1.70 -2.73 1.32 4.32 -1.26 -4.94 117.00 120.18 1k8h n LEU 31 Ca -0.05 0.57 -0.07 0.00 -0.02 0.00 0.00 56.01 56.43 1k8h n LEU 31 Cb 0.41 -1.29 0.06 0.00 -1.62 0.00 0.00 43.42 40.98 1k8h n LEU 31 CO 0.39 -2.78 0.31 1.17 -1.22 0.00 0.00 177.39 175.27 1k8h n LYS 32 N -1.45 0.62 -1.68 3.23 4.81 -1.26 -5.06 118.16 117.38 1k8h n LYS 32 Ca 0.11 -1.47 0.00 0.00 -0.87 0.00 0.00 58.31 56.08 1k8h n LYS 32 Cb 0.50 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.43 1k8h n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k8h n GLY 33 N 1.53 -4.83 3.55 3.14 0.00 -1.26 -4.61 105.19 102.71 1k8h n GLY 33 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8h n SER 34 N -0.01 0.00 0.01 1.61 2.88 -1.26 -4.71 113.62 112.14 1k8h n SER 34 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1k8h n SER 34 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1k8h h GLU 35 N 0.00 0.03 -0.22 -1.46 5.08 -1.98 -1.09 114.58 114.94 1k8h h GLU 35 Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1k8h h GLU 35 Cb 0.00 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1k8h h GLU 35 CO 0.00 0.25 -0.38 0.28 -1.00 0.00 0.00 179.01 178.16 1k8h h VAL 36 N -0.18 0.19 -0.00 3.13 2.07 -1.94 -1.71 116.25 117.80 1k8h h VAL 36 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1k8h h VAL 36 Cb 0.23 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1k8h h VAL 36 CO 0.00 0.00 -0.00 0.11 0.02 0.00 0.00 177.57 177.70 1k8h h LYS 37 N -0.40 0.00 -0.16 1.57 6.56 -1.96 -1.69 116.57 120.50 1k8h h LYS 37 Ca 0.11 -0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.74 1k8h h LYS 37 Cb 0.58 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.17 1k8h h LYS 37 CO -0.44 0.51 -0.43 1.03 -2.06 0.00 0.00 179.45 178.06 1k8h h SER 38 N -0.50 -1.36 -0.08 0.86 0.87 -1.11 -0.03 113.55 112.20 1k8h h SER 38 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1k8h h SER 38 Cb 0.51 0.56 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1k8h h SER 38 CO 0.00 -0.42 0.03 -0.07 -0.53 0.00 0.00 176.83 175.84 1k8h h LEU 39 N -0.48 0.12 -0.56 2.23 3.38 -1.42 -3.02 115.31 115.56 1k8h h LEU 39 Ca 0.08 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1k8h h LEU 39 Cb 0.63 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1k8h h LEU 39 CO -0.42 0.27 -0.09 -0.09 0.09 0.00 0.00 178.44 178.20 1k8h h ARG 40 N -0.04 0.04 0.03 1.13 2.43 -0.96 -1.93 114.38 115.07 1k8h h ARG 40 Ca 0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1k8h h ARG 40 Cb 0.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1k8h h ARG 40 CO -0.00 0.03 -0.17 0.93 -1.51 0.00 0.00 179.97 179.24 1k8h h GLU 41 N 0.04 -0.23 -0.63 0.20 4.39 -0.92 -3.43 114.58 114.01 1k8h h GLU 41 Ca 0.28 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 1k8h h GLU 41 Cb 0.43 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 28.98 1k8h h GLU 41 CO -0.54 -0.15 -0.37 1.17 -1.16 0.00 0.00 179.01 177.96 1k8h n LYS 42 N -3.42 0.43 0.00 2.33 4.81 -1.07 -5.13 118.16 116.11 1k8h n LYS 42 Ca -0.03 -1.60 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 1k8h n LYS 42 Cb 0.13 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1k8h n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k8h n GLY 43 N 2.64 0.59 0.76 3.14 0.00 -0.75 -4.92 105.19 106.65 1k8h n GLY 43 Ca 0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1k8h n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1k8h n THR 44 N 0.00 0.00 -1.07 2.61 5.66 -1.26 -4.21 114.28 116.01 1k8h n THR 44 Ca 0.00 -0.48 0.11 0.00 -3.05 0.00 0.00 64.05 60.62 1k8h n THR 44 Cb 0.00 0.27 -0.06 0.00 -1.55 0.00 0.00 70.33 68.99 1k8h n THR 44 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1k8h n VAL 45 N -0.14 -0.49 0.00 1.08 3.14 -1.25 -4.75 118.33 115.92 1k8h n VAL 45 Ca 0.01 0.54 -0.03 0.00 -2.96 0.00 0.00 64.34 61.90 1k8h n VAL 45 Cb 0.14 -0.83 -0.01 0.00 -1.06 0.00 0.00 33.84 32.08 1k8h n VAL 45 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1k8h n SER 46 N -3.89 1.34 -3.43 6.55 2.88 -1.25 -4.65 113.62 111.17 1k8h n SER 46 Ca -0.05 0.20 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 1k8h n SER 46 Cb 0.44 -0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 1k8h n SER 46 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1k8h s PHE 47 N -2.26 -0.60 0.33 0.66 -0.12 -1.26 -5.13 117.98 109.60 1k8h s PHE 47 Ca -0.10 1.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.86 1k8h s PHE 47 Cb 0.01 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1k8h s PHE 47 CO 0.14 -0.30 0.00 1.63 -0.05 0.00 0.00 175.22 176.64 1k8h n LYS 48 N 4.69 -2.84 0.00 1.99 4.76 -1.26 -4.85 118.16 120.65 1k8h n LYS 48 Ca -0.11 1.87 0.00 0.00 -2.87 0.00 0.00 58.31 57.20 1k8h n LYS 48 Cb 0.54 -3.46 0.00 0.00 -1.84 0.00 0.00 35.03 30.26 1k8h n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1k8h n ASP 49 N -4.24 0.00 -4.56 4.39 2.03 -1.26 -4.59 116.55 108.33 1k8h n ASP 49 Ca 0.01 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.96 1k8h n ASP 49 Cb 0.64 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.93 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1k8h s SER 50 N -3.08 5.50 0.16 1.67 0.01 -1.26 -2.44 113.70 114.26 1k8h s SER 50 Ca 0.00 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1k8h s SER 50 Cb 0.00 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1k8h s SER 50 CO 0.00 0.06 0.01 -0.36 0.41 0.00 0.00 173.24 173.36 1k8h s PHE 51 N 1.03 1.11 -0.06 2.43 0.40 -0.08 -4.67 117.98 118.13 1k8h s PHE 51 Ca 0.05 -1.06 0.03 0.00 -0.60 0.00 0.00 56.93 55.35 1k8h s PHE 51 Cb -0.14 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.76 1k8h s PHE 51 CO 0.03 -0.28 -0.16 0.54 0.70 0.00 0.00 175.22 176.05 1k8h s VAL 52 N -3.74 1.43 -0.02 -0.44 0.11 -1.23 -1.08 120.40 115.42 1k8h s VAL 52 Ca 0.23 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1k8h s VAL 52 Cb 0.06 -1.26 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 1k8h s VAL 52 CO 0.03 0.42 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.46 1k8h s ARG 53 N 0.33 1.38 -0.22 1.54 6.06 -0.61 -4.22 118.95 123.22 1k8h s ARG 53 Ca -0.11 -0.54 -0.07 0.00 -2.50 0.00 0.00 55.73 52.51 1k8h s ARG 53 Cb -0.14 -1.28 -0.03 0.00 0.06 0.00 0.00 34.95 33.55 1k8h s ARG 53 CO 0.04 0.28 0.06 0.42 -2.50 0.00 0.00 175.30 173.60 1k8h s ILE 54 N -0.16 4.48 0.28 4.11 -1.09 -1.26 -1.76 121.20 125.80 1k8h s ILE 54 Ca 0.02 -0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1k8h s ILE 54 Cb -0.08 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.72 1k8h s ILE 54 CO 0.00 0.40 0.30 -1.61 -1.23 0.00 0.00 174.94 172.80 1k8h s GLU 55 N 1.03 1.60 3.58 2.79 2.02 -1.21 -4.77 118.70 123.74 1k8h s GLU 55 Ca 0.04 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1k8h s GLU 55 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1k8h s GLU 55 CO 0.03 -0.60 0.00 0.09 0.02 0.00 0.00 175.26 174.79 1k8h n ASN 56 N -0.98 0.00 0.00 -0.19 4.13 -1.26 -2.48 115.26 114.48 1k8h n ASN 56 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1k8h n ASN 56 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k8h n GLY 57 N 0.00 -1.79 3.22 7.41 0.00 -1.26 -4.83 105.19 107.94 1k8h n GLY 57 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1k8h n GLY 57 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k8h s GLU 58 N 0.00 1.15 0.24 1.61 -1.05 -1.03 -3.82 118.70 115.81 1k8h s GLU 58 Ca 0.00 -1.54 -0.30 0.00 -0.15 0.00 0.00 54.97 52.98 1k8h s GLU 58 Cb 0.00 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1k8h s GLU 58 CO 0.00 -0.38 0.99 0.00 0.95 0.00 0.00 175.26 176.82 1k8h s ALA 59 N -4.12 3.36 0.02 -0.84 0.00 -1.24 -3.34 121.76 115.60 1k8h s ALA 59 Ca 0.34 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1k8h s ALA 59 Cb 0.06 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1k8h s ALA 59 CO 0.09 0.09 -0.22 -1.58 0.00 0.00 0.00 175.76 174.14 1k8h s TRP 60 N -1.11 1.98 -0.08 0.00 0.52 -0.72 -1.84 118.94 117.69 1k8h s TRP 60 Ca 0.42 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.20 1k8h s TRP 60 Cb -0.28 -1.22 -0.00 0.00 -1.15 0.00 0.00 33.47 30.82 1k8h s TRP 60 CO 0.34 0.05 -0.22 -0.51 0.02 0.00 0.00 176.95 176.63 1k8h s LEU 61 N -0.91 2.00 -0.12 2.99 1.02 -0.91 -1.57 118.68 121.18 1k8h s LEU 61 Ca 0.09 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.76 1k8h s LEU 61 Cb -0.09 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.86 1k8h s LEU 61 CO 0.01 0.16 -0.17 -0.31 0.02 0.00 0.00 176.35 176.06 1k8h s TYR 62 N 0.26 2.18 -0.09 0.29 1.51 -0.24 -2.03 117.35 119.23 1k8h s TYR 62 Ca -0.14 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 54.88 1k8h s TYR 62 Cb -0.16 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1k8h s TYR 62 CO 0.07 -0.53 -0.17 0.54 -1.11 0.00 0.00 175.55 174.35 1k8h s ASN 63 N 0.98 2.37 -0.17 2.29 4.22 -1.26 -0.91 114.94 122.46 1k8h s ASN 63 Ca -0.06 -0.42 0.18 0.00 -2.14 0.00 0.00 52.86 50.43 1k8h s ASN 63 Cb -0.15 -1.08 -0.26 0.00 1.28 0.00 0.00 41.25 41.04 1k8h s ASN 63 CO -0.02 0.07 0.15 0.18 -2.04 0.00 0.00 177.10 175.43 1k8h n LEU 64 N 3.82 0.06 -4.31 3.54 4.32 -1.02 -4.28 117.00 119.13 1k8h n LEU 64 Ca -0.21 0.03 -0.40 0.00 -0.02 0.00 0.00 56.01 55.41 1k8h n LEU 64 Cb 0.52 0.43 -0.10 0.00 -1.62 0.00 0.00 43.42 42.65 1k8h n LEU 64 CO 0.26 0.45 -0.12 -0.47 -1.22 0.00 0.00 177.39 176.28 1k8h s TYR 65 N -2.59 3.30 1.12 -1.77 5.04 -1.26 -4.73 117.35 116.45 1k8h s TYR 65 Ca -0.09 -1.30 -0.19 0.00 -2.44 0.00 0.00 57.07 53.05 1k8h s TYR 65 Cb 0.07 -2.76 0.26 0.00 0.35 0.00 0.00 41.96 39.88 1k8h s TYR 65 CO 0.84 -0.77 1.23 0.96 -1.34 0.00 0.00 175.55 176.46 1k8h s ILE 66 N 1.48 1.75 0.55 3.14 -5.25 -1.26 -3.93 121.20 117.68 1k8h s ILE 66 Ca 0.02 0.00 -0.08 0.00 -0.99 0.00 0.00 60.65 59.61 1k8h s ILE 66 Cb -0.22 -2.74 -0.03 0.00 2.95 0.00 0.00 42.46 42.42 1k8h s ILE 66 CO 0.04 0.00 0.90 0.00 -1.79 0.00 0.00 174.94 174.09 1k8h s ALA 67 N -3.47 3.26 -1.07 2.27 0.00 -1.26 -3.85 121.76 117.64 1k8h s ALA 67 Ca 0.74 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1k8h s ALA 67 Cb -0.05 -2.80 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 1k8h s ALA 67 CO 0.55 -0.54 2.72 -0.35 0.00 0.00 0.00 175.76 178.13 1k8h n PRO 68 N -2.50 2.77 -1.32 0.00 -0.04 -1.26 -4.89 135.00 127.76 1k8h n PRO 68 Ca 0.03 -1.68 -0.30 0.00 -0.04 0.00 0.00 63.50 61.51 1k8h n PRO 68 Cb 0.55 -2.51 0.13 0.00 -0.04 0.00 0.00 33.50 31.63 1k8h n PRO 68 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1k8h s TYR 69 N 2.40 2.46 -0.30 0.54 5.04 -1.26 -5.06 117.35 121.17 1k8h s TYR 69 Ca 0.57 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 56.31 1k8h s TYR 69 Cb 0.17 -3.17 0.19 0.00 0.35 0.00 0.00 41.96 39.50 1k8h s TYR 69 CO -0.04 -2.25 0.97 0.15 -1.34 0.00 0.00 175.55 173.05 1k8h s LYS 70 N -5.02 0.21 0.00 4.97 1.02 -1.26 -5.17 119.74 114.50 1k8h s LYS 70 Ca 0.63 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.77 1k8h s LYS 70 Cb -0.17 0.09 -0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1k8h s LYS 70 CO 0.56 -0.39 0.07 -1.01 -0.92 0.00 0.00 175.35 173.66 1k8h s HIS 71 N 2.90 0.09 0.20 3.18 3.76 -1.26 -5.16 115.29 119.00 1k8h s HIS 71 Ca 0.25 -0.20 -0.17 0.00 -0.15 0.00 0.00 55.06 54.79 1k8h s HIS 71 Cb -0.03 -0.08 -0.08 0.00 1.11 0.00 0.00 32.58 33.50 1k8h s HIS 71 CO -0.23 -0.21 0.64 0.00 -0.85 0.00 0.00 174.74 174.09 1k8h s ALA 72 N -1.16 3.48 -1.37 -1.40 0.00 -1.26 -4.03 121.76 116.02 1k8h s ALA 72 Ca -0.13 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1k8h s ALA 72 Cb -0.07 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1k8h s ALA 72 CO 0.00 0.39 0.84 2.41 0.00 0.00 0.00 175.76 179.40 1k8h n THR 73 N 0.65 -2.34 0.00 0.00 -1.04 -1.26 -4.88 114.28 105.41 1k8h n THR 73 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1k8h n THR 73 Cb 0.52 -3.59 0.00 0.00 -1.82 0.00 0.00 70.33 65.44 1k8h n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k8h n ILE 74 N -4.65 0.00 -1.71 12.58 0.13 -1.26 -5.14 119.36 119.31 1k8h n ILE 74 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 1k8h n ILE 74 Cb 0.59 -0.60 0.00 0.00 -0.84 0.00 0.00 39.64 38.78 1k8h n ILE 74 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1k8h n GLU 75 N -2.53 -4.71 -0.11 9.51 4.71 -1.26 -4.83 120.64 121.42 1k8h n GLU 75 Ca 0.00 3.40 -0.10 0.00 -0.01 0.00 0.00 57.16 60.45 1k8h n GLU 75 Cb 0.48 -3.70 0.04 0.00 -1.01 0.00 0.00 31.44 27.26 1k8h n GLU 75 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1k8h h ASN 76 N 3.00 0.88 0.00 1.62 -1.24 -2.01 -3.46 115.58 114.38 1k8h h ASN 76 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.67 1k8h h ASN 76 Cb 0.00 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.81 1k8h h ASN 76 CO 0.00 1.09 0.00 1.57 -1.29 0.00 0.00 177.43 178.80 1k8h n HIS 77 N -4.09 0.00 -3.23 0.67 -0.00 -1.26 -4.35 115.22 102.95 1k8h n HIS 77 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.69 1k8h n HIS 77 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.42 1k8h n HIS 77 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1k8h s ASP 78 N 0.00 -0.64 0.10 0.26 2.15 -1.26 -5.06 116.67 112.21 1k8h s ASP 78 Ca 0.00 0.30 -0.34 0.00 0.43 0.00 0.00 52.55 52.94 1k8h s ASP 78 Cb 0.00 1.64 -0.14 0.00 -0.30 0.00 0.00 42.92 44.12 1k8h s ASP 78 CO 0.00 -0.30 1.57 -0.65 -0.17 0.00 0.00 175.17 175.62 1k8h h PRO 79 N 8.08 -0.78 -6.28 4.34 0.11 -1.99 -3.40 132.00 132.08 1k8h h PRO 79 Ca -0.14 0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.47 1k8h h PRO 79 Cb 1.16 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1k8h h PRO 79 CO 0.24 -0.52 0.97 -0.51 -0.21 0.00 0.00 178.00 177.97 1k8h s LEU 80 N -10.20 4.29 -0.15 2.35 1.02 -1.26 -4.78 118.68 109.94 1k8h s LEU 80 Ca -0.17 2.10 -0.04 0.00 0.02 0.00 0.00 54.13 56.04 1k8h s LEU 80 Cb 0.06 -3.54 0.07 0.00 0.02 0.00 0.00 46.19 42.80 1k8h s LEU 80 CO 0.62 -0.83 0.18 0.00 0.02 0.00 0.00 176.35 176.34 1k8h s ARG 81 N 3.34 0.11 0.43 1.70 1.70 -1.26 -5.12 118.95 119.84 1k8h s ARG 81 Ca 0.67 0.29 -0.25 0.00 -0.47 0.00 0.00 55.73 55.96 1k8h s ARG 81 Cb -0.31 -0.98 -0.08 0.00 -0.57 0.00 0.00 34.95 33.01 1k8h s ARG 81 CO 0.26 -0.53 1.30 0.15 -1.08 0.00 0.00 175.30 175.40 1k8h s LYS 82 N 2.28 3.86 -0.09 3.89 3.01 -1.26 -4.63 119.74 126.81 1k8h s LYS 82 Ca 0.05 2.14 0.04 0.00 -1.01 0.00 0.00 55.97 57.18 1k8h s LYS 82 Cb -0.14 -2.67 -0.01 0.00 -1.01 0.00 0.00 37.83 34.00 1k8h s LYS 82 CO -0.09 -0.57 -0.22 1.03 0.51 0.00 0.00 175.35 176.00 1k8h s ARG 83 N -2.35 2.95 -0.22 1.68 0.52 -0.86 -5.06 118.95 115.60 1k8h s ARG 83 Ca 0.59 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1k8h s ARG 83 Cb -0.38 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 1k8h s ARG 83 CO 0.48 0.26 0.08 -1.59 0.02 0.00 0.00 175.30 174.55 1k8h s LYS 84 N 0.15 3.86 0.29 3.54 -2.85 -1.26 -2.14 119.74 121.33 1k8h s LYS 84 Ca -0.12 -0.39 0.10 0.00 -1.00 0.00 0.00 55.97 54.56 1k8h s LYS 84 Cb -0.16 -3.32 -0.05 0.00 -2.06 0.00 0.00 37.83 32.24 1k8h s LYS 84 CO 0.07 0.04 -0.04 -0.51 0.10 0.00 0.00 175.35 175.01 1k8h s LEU 85 N 1.02 3.00 0.08 2.77 1.02 -0.76 -3.56 118.68 122.24 1k8h s LEU 85 Ca 0.05 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.38 1k8h s LEU 85 Cb -0.14 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 1k8h s LEU 85 CO 0.03 -0.07 0.11 -0.22 0.02 0.00 0.00 176.35 176.22 1k8h s LEU 86 N -3.66 3.91 0.00 1.79 2.96 -0.83 -3.62 118.68 119.23 1k8h s LEU 86 Ca 0.32 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1k8h s LEU 86 Cb -0.04 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1k8h s LEU 86 CO 0.19 0.17 0.00 -0.11 -1.32 0.00 0.00 176.35 175.27 1k8h n LEU 87 N 0.37 0.00 0.00 -0.68 -0.00 -1.26 -2.91 117.00 112.52 1k8h n LEU 87 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1k8h n LEU 87 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1k8h n LEU 87 CO 0.46 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.42 1k8h n HIS 88 N 0.00 0.00 0.00 1.96 -0.00 -1.25 -5.01 115.22 110.92 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 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1k8h n HIS 88 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1k8h n LYS 89 N -0.58 0.00 -0.06 1.57 4.81 -1.25 -4.90 118.16 117.74 1k8h n LYS 89 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 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 1.17 0.00 0.00 177.40 178.48 1k8h h ARG 90 N 0.00 -0.00 -0.44 1.64 9.65 -2.00 -2.49 114.38 120.75 1k8h h ARG 90 Ca 0.00 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1k8h h ARG 90 Cb 0.00 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.50 1k8h h ARG 90 CO 0.00 -0.00 -0.11 0.93 2.80 0.00 0.00 179.97 183.59 1k8h h GLU 91 N -0.00 0.00 -0.30 0.20 5.08 -1.97 -2.00 114.58 115.59 1k8h h GLU 91 Ca 0.12 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1k8h h GLU 91 Cb 0.18 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1k8h h GLU 91 CO -0.25 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.50 1k8h h ILE 92 N 0.00 0.69 -0.32 3.13 1.08 -1.78 -1.22 117.51 119.09 1k8h h ILE 92 Ca 0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.75 1k8h h ILE 92 Cb 0.32 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 34.68 1k8h h ILE 92 CO -0.45 0.00 -0.28 0.24 -0.69 0.00 0.00 178.15 176.98 1k8h h MET 93 N -0.00 -0.24 -0.16 2.37 2.86 -0.96 -1.12 114.93 117.69 1k8h h MET 93 Ca 0.15 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1k8h h MET 93 Cb 0.22 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1k8h h MET 93 CO -0.31 -0.16 -0.01 0.00 1.06 0.00 0.00 176.91 177.49 1k8h h ARG 94 N -0.25 0.04 0.00 1.72 3.08 -1.08 -2.23 114.38 115.67 1k8h h ARG 94 Ca 0.16 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1k8h h ARG 94 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1k8h h ARG 94 CO -0.46 0.03 -0.31 1.25 -1.07 0.00 0.00 179.97 179.40 1k8h h LEU 95 N 0.04 -0.96 -0.23 3.04 6.46 -0.43 -0.28 115.31 122.95 1k8h h LEU 95 Ca 0.07 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1k8h h LEU 95 Cb 0.09 0.36 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 1k8h h LEU 95 CO -0.13 -0.30 -0.34 0.22 -0.62 0.00 0.00 178.44 177.27 1k8h h TYR 96 N -0.39 -0.95 0.00 1.25 3.20 -1.20 -0.59 116.97 118.29 1k8h h TYR 96 Ca 0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1k8h h TYR 96 Cb 0.42 0.45 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1k8h h TYR 96 CO -0.45 -0.41 0.00 0.41 -1.64 0.00 0.00 178.16 176.07 1k8h n GLY 97 N -1.41 -2.55 0.28 1.82 0.00 -0.84 -1.80 105.19 100.67 1k8h n GLY 97 Ca -0.02 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.49 0.00 1.61 3.64 -1.08 -1.23 116.57 119.02 1k8h h LYS 98 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1k8h h LYS 98 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1k8h h LYS 98 CO 0.00 -0.33 0.00 0.28 -2.27 0.00 0.00 179.45 177.13 1k8h n VAL 99 N -4.09 0.00 0.00 2.00 0.31 -0.23 -1.32 118.33 114.99 1k8h n VAL 99 Ca -0.06 1.49 -0.00 0.00 -0.01 0.00 0.00 64.34 65.76 1k8h n VAL 99 Cb 0.25 -2.24 -0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1k8h n VAL 99 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1k8h h GLN 100 N 0.00 -0.00 -0.03 5.55 5.75 -1.44 1.49 115.11 126.43 1k8h h GLN 100 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1k8h h GLN 100 Cb 0.00 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 1k8h h GLN 100 CO 0.00 -0.00 -0.52 0.93 -2.65 0.00 0.00 178.83 176.59 1k8h h GLU 101 N -0.00 -0.62 -0.56 1.69 5.08 -1.26 -2.60 114.58 116.31 1k8h h GLU 101 Ca -0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1k8h h GLU 101 Cb 0.00 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1k8h h GLU 101 CO -0.00 -0.41 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.27 1k8h h LYS 102 N -0.64 0.02 0.00 2.33 1.63 -1.24 -3.45 116.57 115.22 1k8h h LYS 102 Ca 0.02 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1k8h h LYS 102 Cb 0.71 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1k8h h LYS 102 CO -0.37 0.01 0.00 0.41 -3.45 0.00 0.00 179.45 176.05 1k8h n GLY 103 N -1.38 -0.22 3.24 5.01 0.00 -0.84 -5.09 105.19 105.91 1k8h n GLY 103 Ca 0.06 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 1.25 0.19 1.61 1.51 0.51 -4.22 117.35 118.19 1k8h s TYR 104 Ca 0.00 -1.21 0.01 0.00 -1.01 0.00 0.00 57.07 54.86 1k8h s TYR 104 Cb 0.00 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1k8h s TYR 104 CO 0.00 -0.43 0.04 0.99 -1.11 0.00 0.00 175.55 175.04 1k8h s THR 105 N -3.90 0.53 -0.04 -0.71 2.01 -0.72 -3.85 115.64 108.96 1k8h s THR 105 Ca 0.33 -1.98 0.04 0.00 0.31 0.00 0.00 61.69 60.39 1k8h s THR 105 Cb 0.07 -2.25 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 1k8h s THR 105 CO 0.09 -0.34 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.90 1k8h s ILE 106 N -3.76 1.29 0.06 1.82 1.01 -1.26 -1.44 121.20 118.92 1k8h s ILE 106 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1k8h s ILE 106 Cb 0.07 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1k8h s ILE 106 CO 0.06 0.38 -0.11 0.27 0.00 0.00 0.00 174.94 175.53 1k8h s ILE 107 N 0.03 0.87 0.44 2.92 -5.25 -1.11 -3.53 121.20 115.57 1k8h s ILE 107 Ca -0.03 -1.24 -0.14 0.00 -0.99 0.00 0.00 60.65 58.25 1k8h s ILE 107 Cb -0.10 -0.91 -0.08 0.00 2.95 0.00 0.00 42.46 44.32 1k8h s ILE 107 CO 0.02 -0.31 0.86 -2.16 -1.79 0.00 0.00 174.94 171.56 1k8h s PRO 108 N -1.75 3.91 0.00 0.37 0.04 -1.26 -2.15 135.00 134.16 1k8h s PRO 108 Ca -0.05 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1k8h s PRO 108 Cb -0.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1k8h s PRO 108 CO 0.01 -0.10 0.00 -0.11 0.04 0.00 0.00 177.00 176.85 1k8h n LEU 109 N -1.23 0.00 -4.09 -3.56 -0.00 -0.64 -4.70 117.00 102.79 1k8h n LEU 109 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.79 1k8h n LEU 109 Cb 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.79 1k8h n LEU 109 CO 0.45 0.00 -0.50 -0.54 -0.00 0.00 0.00 177.39 176.81 1k8h s LYS 110 N 0.89 2.11 -0.10 1.96 1.02 -1.23 -2.79 119.74 121.60 1k8h s LYS 110 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1k8h s LYS 110 Cb 0.00 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 1k8h s LYS 110 CO 0.00 0.08 -0.16 -0.48 -0.92 0.00 0.00 175.35 173.87 1k8h s LEU 111 N 0.54 1.76 0.03 3.17 2.34 -0.92 -2.56 118.68 123.04 1k8h s LEU 111 Ca -0.16 -0.42 0.04 0.00 0.06 0.00 0.00 54.13 53.66 1k8h s LEU 111 Cb -0.16 -1.08 -0.02 0.00 -0.56 0.00 0.00 46.19 44.37 1k8h s LEU 111 CO 0.05 0.04 -0.13 -0.72 -1.06 0.00 0.00 176.35 174.53 1k8h s TYR 112 N 0.83 1.14 -0.23 3.48 1.13 -0.95 -1.39 117.35 121.37 1k8h s TYR 112 Ca -0.10 -0.32 -0.08 0.00 -1.41 0.00 0.00 57.07 55.15 1k8h s TYR 112 Cb -0.15 -0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 39.97 1k8h s TYR 112 CO 0.01 0.02 0.10 1.67 -2.51 0.00 0.00 175.55 174.84 1k8h s TRP 113 N -0.74 3.20 0.14 -3.49 -2.14 -0.86 -2.22 118.94 112.84 1k8h s TRP 113 Ca 0.02 -0.05 0.10 0.00 2.66 0.00 0.00 56.10 58.82 1k8h s TRP 113 Cb -0.07 -2.21 -0.04 0.00 -3.10 0.00 0.00 33.47 28.05 1k8h s TRP 113 CO 0.01 -0.07 -0.19 0.21 -2.66 0.00 0.00 176.95 174.25 1k8h s LYS 114 N 1.09 1.73 0.00 3.25 2.20 -0.43 -3.00 119.74 124.59 1k8h s LYS 114 Ca 0.05 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1k8h s LYS 114 Cb -0.14 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1k8h s LYS 114 CO 0.04 0.45 0.00 0.09 -0.36 0.00 0.00 175.35 175.57 1k8h n ASN 115 N 0.57 0.00 0.00 1.43 4.13 -1.26 -2.65 115.26 117.47 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 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1k8h n ASN 115 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1k8h n ASN 116 N 2.23 0.00 -4.22 6.41 6.94 -1.26 -5.09 115.26 120.27 1k8h n ASN 116 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1k8h n ASN 116 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1k8h s LYS 117 N 0.00 1.12 0.07 -3.83 2.20 -1.09 -5.04 119.74 113.18 1k8h s LYS 117 Ca 0.00 -1.56 -0.12 0.00 -0.36 0.00 0.00 55.97 53.92 1k8h s LYS 117 Cb 0.00 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.24 1k8h s LYS 117 CO 0.00 -0.24 0.44 0.14 -0.36 0.00 0.00 175.35 175.33 1k8h s VAL 118 N -3.88 5.01 -0.11 4.02 -7.23 -1.26 -1.31 120.40 115.64 1k8h s VAL 118 Ca 0.29 0.67 0.01 0.00 -1.81 0.00 0.00 61.98 61.14 1k8h s VAL 118 Cb 0.07 -3.69 0.02 0.00 0.56 0.00 0.00 36.38 33.34 1k8h s VAL 118 CO 0.06 0.37 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.54 1k8h s LYS 119 N -1.66 2.18 -0.09 4.82 1.02 -0.94 -1.87 119.74 123.20 1k8h s LYS 119 Ca 0.31 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1k8h s LYS 119 Cb -0.15 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1k8h s LYS 119 CO 0.17 -0.10 -0.00 0.08 -0.92 0.00 0.00 175.35 174.58 1k8h s VAL 120 N 1.09 4.29 -0.19 3.17 1.01 -0.34 -2.24 120.40 127.18 1k8h s VAL 120 Ca -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1k8h s VAL 120 Cb -0.14 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1k8h s VAL 120 CO -0.03 0.60 -0.05 -0.22 0.00 0.00 0.00 175.10 175.40 1k8h s LEU 121 N -0.83 3.01 -0.02 3.92 2.96 -1.06 -2.76 118.68 123.92 1k8h s LEU 121 Ca 0.13 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1k8h s LEU 121 Cb -0.11 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1k8h s LEU 121 CO 0.02 0.06 -0.18 0.27 -1.32 0.00 0.00 176.35 175.21 1k8h s ILE 122 N 0.99 1.43 -0.09 6.68 -4.36 -1.09 -1.62 121.20 123.13 1k8h s ILE 122 Ca 0.00 -0.77 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 1k8h s ILE 122 Cb -0.15 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 1k8h s ILE 122 CO 0.01 0.40 -0.23 0.00 0.24 0.00 0.00 174.94 175.36 1k8h s ALA 123 N -0.40 2.24 -0.19 2.27 0.00 -0.92 -1.15 121.76 123.62 1k8h s ALA 123 Ca 0.06 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1k8h s ALA 123 Cb -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1k8h s ALA 123 CO -0.01 0.33 0.54 -0.48 0.00 0.00 0.00 175.76 176.15 1k8h s LEU 124 N 0.16 4.17 0.34 0.00 0.05 -0.04 -2.74 118.68 120.61 1k8h s LEU 124 Ca -0.13 0.74 0.07 0.00 0.05 0.00 0.00 54.13 54.87 1k8h s LEU 124 Cb -0.16 -2.76 -0.02 0.00 -2.05 0.00 0.00 46.19 41.20 1k8h s LEU 124 CO 0.07 -0.18 0.37 0.00 -0.55 0.00 0.00 176.35 176.06 1k8h s ALA 125 N 1.55 4.01 0.09 1.48 0.00 -0.52 -2.33 121.76 126.05 1k8h s ALA 125 Ca 0.26 -1.58 0.10 0.00 0.00 0.00 0.00 51.96 50.73 1k8h s ALA 125 Cb -0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1k8h s ALA 125 CO 0.10 -0.02 -0.26 0.21 0.00 0.00 0.00 175.76 175.80 1k8h s LYS 126 N -4.07 1.63 3.54 0.00 2.20 -0.82 -1.76 119.74 120.46 1k8h s LYS 126 Ca 0.43 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1k8h s LYS 126 Cb -0.07 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1k8h s LYS 126 CO 0.28 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 176.17 1k8h n GLY 127 N 1.30 0.64 0.00 5.54 0.00 -1.26 -4.09 105.19 107.31 1k8h n GLY 127 Ca -0.17 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1k8h n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1k8h n LYS 128 N 0.00 0.00 -2.66 1.61 2.85 -1.26 -5.03 118.16 113.67 1k8h n LYS 128 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1k8h n LYS 128 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1k8h n LYS 128 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1k8h n LYS 129 N 0.00 0.05 -0.02 -1.58 3.00 -1.26 -2.37 118.16 115.98 1k8h n LYS 129 Ca 0.00 -0.65 -0.10 0.00 -0.00 0.00 0.00 58.31 57.56 1k8h n LYS 129 Cb 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 35.03 35.20 1k8h n LYS 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1k8h n LEU 130 N 2.53 1.13 -4.38 3.14 4.32 -1.26 -4.86 117.00 117.61 1k8h n LEU 130 Ca 0.11 0.39 -0.33 0.00 -0.02 0.00 0.00 56.01 56.16 1k8h n LEU 130 Cb 0.66 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.30 1k8h n LEU 130 CO -0.12 0.45 -0.45 -0.47 -1.22 0.00 0.00 177.39 175.58 1k8h s TYR 131 N -2.59 2.79 -0.20 -1.77 6.14 -1.26 -5.09 117.35 115.36 1k8h s TYR 131 Ca -0.07 -0.58 -0.04 0.00 0.64 0.00 0.00 57.07 57.02 1k8h s TYR 131 Cb 0.08 -1.81 0.09 0.00 0.42 0.00 0.00 41.96 40.73 1k8h s TYR 131 CO 0.82 -0.15 0.18 0.16 0.64 0.00 0.00 175.55 177.19 1k8h s ASP 132 N 0.19 1.85 0.00 4.32 -4.77 -1.26 -5.12 116.67 111.88 1k8h s ASP 132 Ca -0.08 -0.45 0.15 0.00 -3.30 0.00 0.00 52.55 48.87 1k8h s ASP 132 Cb -0.15 0.14 0.12 0.00 -1.09 0.00 0.00 42.92 41.93 1k8h s ASP 132 CO 0.05 -0.35 0.96 0.54 0.70 0.00 0.00 175.17 177.08