#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k56 s LEU 2 N 0.00 3.62 0.09 3.17 2.96 -1.26 -0.47 118.68 126.79 3k56 s LEU 2 Ca 0.00 -0.67 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3k56 s LEU 2 Cb 0.00 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3k56 s LEU 2 CO 0.00 -0.15 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.88 3k56 s THR 3 N 1.48 3.32 -0.16 3.68 2.01 -0.24 -1.48 115.64 124.24 3k56 s THR 3 Ca 0.03 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3k56 s THR 3 Cb -0.17 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.84 3k56 s THR 3 CO 0.01 0.16 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.32 3k56 s ILE 4 N -1.16 1.66 -0.20 1.82 1.01 -0.72 -1.42 121.20 122.19 3k56 s ILE 4 Ca 0.20 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3k56 s ILE 4 Cb -0.11 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 3k56 s ILE 4 CO 0.12 0.45 -0.08 -0.22 0.00 0.00 0.00 174.94 175.21 3k56 s LEU 5 N 1.45 2.72 -0.03 2.97 0.20 -0.70 -0.91 118.68 124.38 3k56 s LEU 5 Ca 0.05 -0.44 -0.09 0.00 0.69 0.00 0.00 54.13 54.34 3k56 s LEU 5 Cb -0.13 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 3k56 s LEU 5 CO -0.11 0.00 0.27 -0.75 -0.29 0.00 0.00 176.35 175.47 3k56 s LYS 6 N 1.34 3.63 -0.23 1.98 2.20 0.27 -0.87 119.74 128.05 3k56 s LYS 6 Ca 0.04 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 3k56 s LYS 6 Cb -0.14 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3k56 s LYS 6 CO -0.04 0.69 -0.13 -0.51 -0.36 0.00 0.00 175.35 175.00 3k56 s LEU 7 N -1.38 3.01 0.14 5.43 1.43 0.26 -1.75 118.68 125.81 3k56 s LEU 7 Ca 0.23 -1.07 -0.35 0.00 -1.03 0.00 0.00 54.13 51.91 3k56 s LEU 7 Cb -0.14 -1.55 -0.16 0.00 0.03 0.00 0.00 46.19 44.37 3k56 s LEU 7 CO 0.12 -0.12 1.37 0.61 0.23 0.00 0.00 176.35 178.55 3k56 n GLY 8 N 4.54 0.57 0.34 -3.19 0.00 -0.11 -3.53 105.19 103.81 3k56 n GLY 8 Ca -0.17 0.64 0.16 0.00 0.00 0.00 0.00 46.02 46.65 3k56 n GLY 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k56 h GLY 9 N 4.61 0.00 1.28 -0.02 0.00 -1.90 -0.67 103.07 106.38 3k56 h GLY 9 Ca -0.46 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.91 3k56 h GLY 9 CO 0.79 0.00 0.39 0.23 0.00 0.00 0.00 176.54 177.94 3k56 h SER 10 N 0.00 0.56 0.17 0.19 0.87 -1.87 0.12 113.55 113.59 3k56 h SER 10 Ca 0.15 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3k56 h SER 10 Cb 0.62 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3k56 h SER 10 CO -0.00 0.38 -0.17 2.30 -0.53 0.00 0.00 176.83 178.81 3k56 n ILE 11 N -4.47 0.00 0.39 2.23 -5.35 -0.27 -4.01 119.36 107.88 3k56 n ILE 11 Ca 0.07 -0.16 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 3k56 n ILE 11 Cb 0.16 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.42 3k56 n ILE 11 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k56 n LEU 12 N -0.42 0.43 -4.03 7.28 4.77 -0.77 -4.64 117.00 119.63 3k56 n LEU 12 Ca 0.14 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 3k56 n LEU 12 Cb 0.35 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3k56 n LEU 12 CO 0.23 0.11 0.06 -0.55 -1.33 0.00 0.00 177.39 175.90 3k56 s SER 13 N -1.75 -0.02 -0.21 -1.43 0.15 0.35 -1.33 113.70 109.45 3k56 s SER 13 Ca 0.03 -1.00 0.01 0.00 0.70 0.00 0.00 55.95 55.69 3k56 s SER 13 Cb 0.06 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 3k56 s SER 13 CO 0.33 -1.03 -0.16 -0.62 1.20 0.00 0.00 173.24 172.96 3k56 s ASP 14 N -3.03 3.62 0.22 5.45 -1.08 -1.26 -4.55 116.67 116.03 3k56 s ASP 14 Ca 0.25 -0.85 0.23 0.00 -0.52 0.00 0.00 52.55 51.65 3k56 s ASP 14 Cb 0.02 -1.52 0.93 0.00 -1.46 0.00 0.00 42.92 40.88 3k56 s ASP 14 CO 0.08 -0.06 1.69 2.29 0.52 0.00 0.00 175.17 179.69 3k56 n LYS 15 N 4.58 0.17 0.00 4.34 2.85 -1.26 -1.12 118.16 127.73 3k56 n LYS 15 Ca -0.19 0.38 0.11 0.00 -1.05 0.00 0.00 58.31 57.57 3k56 n LYS 15 Cb 0.48 -1.82 0.02 0.00 -0.65 0.00 0.00 35.03 33.06 3k56 n LYS 15 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k56 n ASN 16 N -2.15 0.92 -4.14 -5.58 3.02 -1.26 -4.66 115.26 101.42 3k56 n ASN 16 Ca 0.03 -0.80 -0.38 0.00 -0.03 0.00 0.00 54.58 53.40 3k56 n ASN 16 Cb 0.24 0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 40.01 3k56 n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k56 s VAL 17 N -2.94 3.83 -0.15 2.41 1.01 -0.27 -5.07 120.40 119.22 3k56 s VAL 17 Ca 0.10 -2.54 -0.39 0.00 0.00 0.00 0.00 61.98 59.16 3k56 s VAL 17 Cb 0.17 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 3k56 s VAL 17 CO 0.78 -0.83 1.59 -2.65 0.00 0.00 0.00 175.10 173.99 3k56 n PRO 18 N 3.99 1.12 -1.01 2.72 -0.02 -1.26 -0.35 135.00 140.19 3k56 n PRO 18 Ca 0.04 0.41 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3k56 n PRO 18 Cb 0.40 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3k56 n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k56 n TYR 19 N 4.29 0.00 -2.45 6.00 4.01 0.14 -5.03 117.16 124.13 3k56 n TYR 19 Ca 0.24 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.69 3k56 n TYR 19 Cb 0.15 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3k56 n TYR 19 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3k56 s SER 20 N -2.06 6.21 -0.01 7.72 1.04 0.52 -5.02 113.70 122.09 3k56 s SER 20 Ca 0.00 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.47 3k56 s SER 20 Cb 0.00 -2.26 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 3k56 s SER 20 CO 0.00 -0.68 -0.06 -0.63 0.98 0.00 0.00 173.24 172.85 3k56 s ILE 21 N -2.86 0.52 -0.96 -1.02 -1.09 -1.26 -4.39 121.20 110.14 3k56 s ILE 21 Ca 0.50 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.48 3k56 s ILE 21 Cb -0.10 -0.45 0.17 0.00 -1.58 0.00 0.00 42.46 40.50 3k56 s ILE 21 CO 0.47 0.15 1.07 -0.54 -1.23 0.00 0.00 174.94 174.86 3k56 s LYS 22 N -0.08 3.72 0.01 2.79 1.02 -0.45 -4.93 119.74 121.83 3k56 s LYS 22 Ca 0.02 -2.20 -0.25 0.00 0.02 0.00 0.00 55.97 53.56 3k56 s LYS 22 Cb -0.03 -4.77 -0.18 0.00 -0.52 0.00 0.00 37.83 32.32 3k56 s LYS 22 CO -0.00 -1.59 1.38 -1.49 -0.92 0.00 0.00 175.35 172.72 3k56 h TRP 23 N 8.12 0.06 -0.54 3.18 4.06 -1.97 0.31 115.95 129.16 3k56 h TRP 23 Ca 0.17 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.16 3k56 h TRP 23 Cb 0.99 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 29.09 3k56 h TRP 23 CO 1.09 0.42 0.25 -0.44 -3.56 0.00 0.00 178.44 176.20 3k56 h ASP 24 N -0.32 0.34 -0.31 -3.49 3.32 -1.99 0.50 116.42 114.47 3k56 h ASP 24 Ca 0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3k56 h ASP 24 Cb 0.40 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3k56 h ASP 24 CO 0.00 0.23 0.11 -1.13 -1.72 0.00 0.00 179.24 176.73 3k56 h ASN 25 N 0.49 0.44 -0.99 6.45 -0.00 -1.84 0.47 115.58 120.59 3k56 h ASN 25 Ca 0.25 -0.18 0.08 0.00 -0.00 0.00 0.00 56.30 56.45 3k56 h ASN 25 Cb 0.20 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.33 3k56 h ASN 25 CO -0.20 0.50 0.64 0.25 -0.00 0.00 0.00 177.43 178.62 3k56 h LEU 26 N 0.35 0.98 0.04 0.34 5.85 0.25 -0.54 115.31 122.58 3k56 h LEU 26 Ca 0.10 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 3k56 h LEU 26 Cb 0.21 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.07 3k56 h LEU 26 CO -0.01 0.60 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.59 3k56 h GLU 27 N 1.10 0.45 -0.80 1.25 5.08 0.11 -1.86 114.58 119.90 3k56 h GLU 27 Ca 0.45 -0.54 0.14 0.00 -1.00 0.00 0.00 59.36 58.41 3k56 h GLU 27 Cb 0.28 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 3k56 h GLU 27 CO -0.20 1.19 0.38 -0.09 -1.00 0.00 0.00 179.01 179.29 3k56 h ARG 28 N -0.05 0.54 -0.30 2.33 2.43 0.01 -1.10 114.38 118.24 3k56 h ARG 28 Ca -0.11 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 3k56 h ARG 28 Cb 1.49 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3k56 h ARG 28 CO 0.15 0.36 -0.42 0.82 -1.51 0.00 0.00 179.97 179.37 3k56 h ILE 29 N 0.56 1.29 -0.59 1.20 2.04 -0.94 -1.33 117.51 119.74 3k56 h ILE 29 Ca 0.43 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 3k56 h ILE 29 Cb 0.61 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3k56 h ILE 29 CO -0.36 0.52 0.33 0.00 0.00 0.00 0.00 178.15 178.64 3k56 h ALA 30 N 0.69 1.48 -0.09 1.87 0.00 -1.07 -2.05 119.26 120.09 3k56 h ALA 30 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k56 h ALA 30 Cb 1.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k56 h ALA 30 CO 0.10 0.44 0.02 1.98 0.00 0.00 0.00 179.25 181.78 3k56 h MET 31 N 0.81 0.15 -0.48 0.00 1.85 -0.38 -1.89 114.93 114.99 3k56 h MET 31 Ca 0.21 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.28 3k56 h MET 31 Cb 0.00 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 3k56 h MET 31 CO -0.04 0.36 0.32 0.93 -0.40 0.00 0.00 176.91 178.08 3k56 h GLU 32 N -0.08 0.56 -0.49 0.39 5.08 -1.13 0.44 114.58 119.35 3k56 h GLU 32 Ca 0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3k56 h GLU 32 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3k56 h GLU 32 CO 0.00 0.37 -0.18 0.82 -1.00 0.00 0.00 179.01 179.03 3k56 h ILE 33 N 0.58 1.27 0.40 3.13 2.04 -1.01 0.73 117.51 124.66 3k56 h ILE 33 Ca 0.19 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3k56 h ILE 33 Cb 0.04 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3k56 h ILE 33 CO -0.05 0.46 -0.19 0.50 0.00 0.00 0.00 178.15 178.87 3k56 h LYS 34 N 0.84 -0.52 -0.85 2.37 1.63 -0.64 0.40 116.57 119.81 3k56 h LYS 34 Ca 0.12 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.15 3k56 h LYS 34 Cb 0.75 0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 32.38 3k56 h LYS 34 CO 0.06 -0.31 0.33 -0.91 -3.45 0.00 0.00 179.45 175.17 3k56 h ASN 35 N -0.60 0.24 0.56 4.20 2.35 -0.90 0.53 115.58 121.97 3k56 h ASN 35 Ca -0.06 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3k56 h ASN 35 Cb 0.45 0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.97 3k56 h ASN 35 CO 0.09 -0.00 -0.27 0.00 -1.65 0.00 0.00 177.43 175.60 3k56 h ALA 36 N 1.68 -0.75 -0.92 -0.83 0.00 -0.13 0.62 119.26 118.93 3k56 h ALA 36 Ca 0.51 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.38 3k56 h ALA 36 Cb 0.94 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3k56 h ALA 36 CO -0.52 -0.87 0.53 -0.07 0.00 0.00 0.00 179.25 178.31 3k56 h LEU 37 N -0.86 0.70 0.40 0.00 3.38 0.46 -1.82 115.31 117.57 3k56 h LEU 37 Ca -0.08 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k56 h LEU 37 Cb 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3k56 h LEU 37 CO 0.13 0.32 -0.19 0.44 0.09 0.00 0.00 178.44 179.22 3k56 h ASP 38 N 0.76 -0.46 -0.86 -0.43 3.32 0.66 -1.38 116.42 118.04 3k56 h ASP 38 Ca 0.49 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.67 3k56 h ASP 38 Cb 0.63 0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 3k56 h ASP 38 CO -0.33 -0.32 -0.43 0.22 -1.72 0.00 0.00 179.24 176.66 3k56 h TYR 39 N -0.55 -1.26 0.00 4.55 3.20 0.11 0.32 116.97 123.33 3k56 h TYR 39 Ca -0.06 0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3k56 h TYR 39 Cb 0.42 0.67 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3k56 h TYR 39 CO -0.05 -0.40 -0.02 1.88 -1.64 0.00 0.00 178.16 177.94 3k56 h TYR 40 N -0.07 0.00 -0.05 -3.82 -1.99 -1.26 -2.64 116.97 107.14 3k56 h TYR 40 Ca 0.26 0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.03 3k56 h TYR 40 Cb 0.55 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.24 3k56 h TYR 40 CO -0.84 0.02 -0.21 -0.22 -0.00 0.00 0.00 178.16 176.91 3k56 h LYS 41 N 0.00 -0.29 0.63 4.88 1.63 0.78 -2.04 116.57 122.16 3k56 h LYS 41 Ca -0.00 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3k56 h LYS 41 Cb 0.03 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3k56 h LYS 41 CO 0.00 -0.20 -0.45 -0.91 -3.45 0.00 0.00 179.45 174.45 3k56 h ASN 42 N -0.30 -1.16 0.00 4.20 2.35 -1.18 -2.10 115.58 117.39 3k56 h ASN 42 Ca 0.07 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3k56 h ASN 42 Cb 0.41 0.36 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3k56 h ASN 42 CO -0.22 -0.66 0.00 0.00 -1.65 0.00 0.00 177.43 174.90 3k56 n GLN 43 N -5.56 0.00 -4.15 0.81 1.13 -1.16 -4.64 117.38 103.81 3k56 n GLN 43 Ca -0.13 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.56 3k56 n GLN 43 Cb 0.45 -1.00 -0.07 0.00 0.11 0.00 0.00 30.24 29.74 3k56 n GLN 43 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3k56 n ASN 44 N -0.24 -1.60 -4.55 1.08 5.15 -0.79 -4.92 115.26 109.39 3k56 n ASN 44 Ca 0.00 -1.06 -0.34 0.00 -0.60 0.00 0.00 54.58 52.58 3k56 n ASN 44 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 3k56 n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3k56 s LYS 45 N -6.49 3.81 -0.34 1.20 2.20 -0.78 -5.06 119.74 114.28 3k56 s LYS 45 Ca 0.72 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 3k56 s LYS 45 Cb -0.42 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3k56 s LYS 45 CO 0.89 0.20 1.46 -2.00 -0.36 0.00 0.00 175.35 175.53 3k56 s GLU 46 N 0.53 3.67 -0.25 4.03 2.56 -1.26 -4.42 118.70 123.56 3k56 s GLU 46 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 54.97 56.17 3k56 s GLU 46 Cb -0.13 -4.01 0.04 0.00 2.00 0.00 0.00 34.13 32.03 3k56 s GLU 46 CO 0.02 -1.44 -0.09 -1.50 -0.56 0.00 0.00 175.26 171.69 3k56 s ILE 47 N 5.27 2.49 0.21 -3.70 2.07 -1.26 -4.79 121.20 121.49 3k56 s ILE 47 Ca 0.64 -1.29 -0.22 0.00 -1.41 0.00 0.00 60.65 58.36 3k56 s ILE 47 Cb -0.17 -2.33 -0.08 0.00 0.13 0.00 0.00 42.46 40.01 3k56 s ILE 47 CO 0.30 0.13 0.75 -0.54 -1.91 0.00 0.00 174.94 173.67 3k56 s LYS 48 N 1.23 4.38 -0.12 3.50 1.02 0.38 -5.01 119.74 125.11 3k56 s LYS 48 Ca -0.03 1.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.90 3k56 s LYS 48 Cb -0.18 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 3k56 s LYS 48 CO -0.06 0.45 0.27 -1.17 -0.92 0.00 0.00 175.35 173.92 3k56 s LEU 49 N -1.67 0.03 -0.05 3.17 2.96 -1.26 -1.08 118.68 120.78 3k56 s LEU 49 Ca 0.41 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 3k56 s LEU 49 Cb -0.19 0.76 -0.03 0.00 0.50 0.00 0.00 46.19 47.24 3k56 s LEU 49 CO 0.23 -0.20 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 3k56 s ILE 50 N 1.84 3.17 -0.02 6.68 1.01 -0.50 -4.19 121.20 129.18 3k56 s ILE 50 Ca -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3k56 s ILE 50 Cb -0.11 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3k56 s ILE 50 CO -0.09 0.59 -0.17 -0.76 0.00 0.00 0.00 174.94 174.51 3k56 s LEU 51 N -0.77 2.62 0.05 2.97 1.43 0.13 -1.73 118.68 123.38 3k56 s LEU 51 Ca 0.12 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3k56 s LEU 51 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3k56 s LEU 51 CO 0.01 0.32 -0.19 -0.69 0.23 0.00 0.00 176.35 176.03 3k56 s VAL 52 N -0.77 1.53 0.06 -1.59 1.01 -0.05 -0.54 120.40 120.05 3k56 s VAL 52 Ca 0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3k56 s VAL 52 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3k56 s VAL 52 CO 0.02 0.12 0.06 -1.38 0.00 0.00 0.00 175.10 173.92 3k56 s HIS 53 N -0.86 0.34 0.00 5.22 -3.43 -0.91 0.90 115.29 116.55 3k56 s HIS 53 Ca 0.06 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.53 3k56 s HIS 53 Cb -0.09 -0.24 0.00 0.00 -1.43 0.00 0.00 32.58 30.83 3k56 s HIS 53 CO 0.02 -0.42 0.00 0.41 -2.00 0.00 0.00 174.74 172.75 3k56 n GLY 54 N 0.26 1.20 0.20 -1.38 0.00 -1.23 -1.61 105.19 102.64 3k56 n GLY 54 Ca -0.16 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.01 3k56 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k56 h GLY 55 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.39 103.07 97.70 3k56 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k56 h GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3k56 n GLY 56 N 1.12 1.61 0.00 4.60 0.00 -1.26 0.74 105.19 112.00 3k56 n GLY 56 Ca 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3k56 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k56 n ALA 57 N 4.59 2.52 -0.02 4.61 0.00 -1.26 -3.46 120.51 127.49 3k56 n ALA 57 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 3k56 n ALA 57 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3k56 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k56 n PHE 58 N -0.64 0.00 0.03 0.00 3.72 0.75 -0.69 117.46 120.63 3k56 n PHE 58 Ca 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 3k56 n PHE 58 Cb 0.03 -0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 3k56 n PHE 58 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k56 h GLY 59 N -0.31 -0.59 -0.51 1.37 0.00 0.29 -3.14 103.07 100.18 3k56 h GLY 59 Ca -0.12 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.53 3k56 h GLY 59 CO -0.07 -0.22 -0.52 0.45 0.00 0.00 0.00 176.54 176.18 3k56 h HIS 60 N -0.10 -1.58 -0.25 5.60 3.86 -1.76 0.19 115.15 121.11 3k56 h HIS 60 Ca -0.01 0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3k56 h HIS 60 Cb 0.08 0.76 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 3k56 h HIS 60 CO -0.01 -0.45 0.17 -1.35 0.86 0.00 0.00 177.93 177.15 3k56 h PRO 61 N -0.29 0.13 0.17 2.45 0.11 -1.78 -0.26 132.00 132.52 3k56 h PRO 61 Ca 0.12 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.93 3k56 h PRO 61 Cb 0.56 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.66 3k56 h PRO 61 CO -0.67 0.08 -1.31 0.28 -0.21 0.00 0.00 178.00 176.17 3k56 h VAL 62 N 0.13 1.41 -0.14 3.15 2.07 -0.98 -3.19 116.25 118.70 3k56 h VAL 62 Ca 0.11 -2.88 0.05 0.00 0.82 0.00 0.00 66.70 64.80 3k56 h VAL 62 Cb 0.28 2.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 3k56 h VAL 62 CO -0.01 0.85 -0.24 0.00 0.02 0.00 0.00 177.57 178.19 3k56 h ALA 63 N 0.42 -0.20 -0.61 1.67 0.00 0.70 -2.67 119.26 118.58 3k56 h ALA 63 Ca -0.18 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3k56 h ALA 63 Cb 2.02 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 20.17 3k56 h ALA 63 CO 0.23 -0.69 -0.21 1.63 0.00 0.00 0.00 179.25 180.21 3k56 n LYS 64 N -5.36 -0.12 0.15 0.00 4.76 -0.25 0.99 118.16 118.33 3k56 n LYS 64 Ca -0.03 0.94 0.08 0.00 -2.87 0.00 0.00 58.31 56.43 3k56 n LYS 64 Cb 0.28 -1.39 0.42 0.00 -1.84 0.00 0.00 35.03 32.50 3k56 n LYS 64 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3k56 n LYS 65 N -4.92 0.10 0.00 1.97 5.02 -1.00 -2.39 118.16 116.94 3k56 n LYS 65 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3k56 n LYS 65 Cb 0.26 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 3k56 n LYS 65 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3k56 n TYR 66 N -2.07 0.00 -3.75 2.13 4.01 0.28 -4.97 117.16 112.79 3k56 n TYR 66 Ca -0.01 -0.34 -0.37 0.00 -0.16 0.00 0.00 57.90 57.03 3k56 n TYR 66 Cb 0.18 -0.03 -0.12 0.00 -0.31 0.00 0.00 39.34 39.06 3k56 n TYR 66 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k56 s LEU 67 N -0.67 3.55 -0.05 7.72 1.43 -1.01 -0.99 118.68 128.67 3k56 s LEU 67 Ca 0.00 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3k56 s LEU 67 Cb 0.00 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3k56 s LEU 67 CO 0.00 -0.02 -0.15 -0.75 0.23 0.00 0.00 176.35 175.66 3k56 s LYS 68 N 1.56 2.52 -0.32 1.70 2.47 0.14 -4.87 119.74 122.92 3k56 s LYS 68 Ca 0.06 -0.70 -0.28 0.00 -1.56 0.00 0.00 55.97 53.49 3k56 s LYS 68 Cb -0.15 -2.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.86 3k56 s LYS 68 CO 0.05 0.61 1.02 0.42 0.16 0.00 0.00 175.35 177.60 3k56 s ILE 69 N -0.69 4.55 -0.76 5.43 -1.09 -1.26 0.26 121.20 127.64 3k56 s ILE 69 Ca 0.11 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.14 3k56 s ILE 69 Cb -0.11 -4.37 0.19 0.00 -1.58 0.00 0.00 42.46 36.59 3k56 s ILE 69 CO 0.01 -0.46 0.59 -0.70 -1.23 0.00 0.00 174.94 173.15 3k56 s GLU 70 N 3.55 2.78 0.06 2.79 2.56 -1.23 -4.93 118.70 124.27 3k56 s GLU 70 Ca 0.43 -3.19 0.02 0.00 0.00 0.00 0.00 54.97 52.23 3k56 s GLU 70 Cb -0.12 -3.67 0.08 0.00 2.00 0.00 0.00 34.13 32.41 3k56 s GLU 70 CO 0.15 -1.25 0.12 -0.25 -0.56 0.00 0.00 175.26 173.47 3k56 n ASP 71 N 2.35 0.00 -2.93 -1.70 9.92 -1.26 -4.62 116.55 118.31 3k56 n ASP 71 Ca 0.18 0.07 -0.07 0.00 -0.53 0.00 0.00 54.79 54.44 3k56 n ASP 71 Cb 0.36 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.83 3k56 n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k56 n GLY 72 N -0.82 2.28 2.48 0.44 0.00 -1.26 -5.05 105.19 103.26 3k56 n GLY 72 Ca 0.02 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 3k56 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k56 n LYS 73 N -1.24 -4.18 -0.86 1.61 4.01 -1.26 -4.90 118.16 111.34 3k56 n LYS 73 Ca 0.03 3.10 -0.33 0.00 -0.51 0.00 0.00 58.31 60.60 3k56 n LYS 73 Cb 0.19 -4.14 -0.04 0.00 -0.51 0.00 0.00 35.03 30.53 3k56 n LYS 73 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3k56 n LYS 74 N 1.88 0.00 -4.63 1.97 2.85 -1.26 -3.53 118.16 115.45 3k56 n LYS 74 Ca -0.17 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.81 3k56 n LYS 74 Cb 0.26 -0.84 -0.17 0.00 -0.65 0.00 0.00 35.03 33.63 3k56 n LYS 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3k56 s ILE 75 N -0.06 1.60 -0.03 0.58 -1.09 0.72 -4.92 121.20 118.00 3k56 s ILE 75 Ca 0.51 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.92 3k56 s ILE 75 Cb -0.71 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 3k56 s ILE 75 CO 0.33 0.46 0.94 -0.36 -1.23 0.00 0.00 174.94 175.08 3k56 s PHE 76 N 0.81 3.62 0.15 3.97 0.08 -1.25 0.25 117.98 125.60 3k56 s PHE 76 Ca -0.10 1.61 0.09 0.00 0.12 0.00 0.00 56.93 58.65 3k56 s PHE 76 Cb -0.16 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 3k56 s PHE 76 CO 0.01 -0.03 -0.20 -1.50 -0.10 0.00 0.00 175.22 173.41 3k56 s ILE 77 N 1.14 1.82 -1.53 0.64 1.10 -0.16 -4.82 121.20 119.39 3k56 s ILE 77 Ca 0.49 -1.80 -0.14 0.00 -0.51 0.00 0.00 60.65 58.70 3k56 s ILE 77 Cb -0.20 -1.77 0.09 0.00 0.15 0.00 0.00 42.46 40.73 3k56 s ILE 77 CO 0.25 -0.22 0.94 0.59 -2.11 0.00 0.00 174.94 174.40 3k56 n ASN 78 N 0.56 -4.79 0.00 4.50 3.02 -1.26 -4.73 115.26 112.56 3k56 n ASN 78 Ca -0.15 -0.75 0.05 0.00 -0.03 0.00 0.00 54.58 53.70 3k56 n ASN 78 Cb 0.56 -3.83 0.30 0.00 -0.61 0.00 0.00 39.78 36.20 3k56 n ASN 78 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3k56 n MET 79 N -4.61 0.25 0.27 3.52 2.81 -1.26 -1.31 117.12 116.80 3k56 n MET 79 Ca 0.04 0.09 0.16 0.00 -1.81 0.00 0.00 57.70 56.18 3k56 n MET 79 Cb 0.53 -1.50 0.72 0.00 -0.71 0.00 0.00 33.22 32.25 3k56 n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3k56 h GLU 80 N 0.00 0.00 0.00 0.03 5.08 -2.01 -2.45 114.58 115.22 3k56 h GLU 80 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3k56 h GLU 80 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3k56 h GLU 80 CO 0.00 0.05 -1.91 1.63 -1.00 0.00 0.00 179.01 177.79 3k56 n LYS 81 N -3.20 0.78 0.15 2.33 4.76 -0.50 -4.76 118.16 117.71 3k56 n LYS 81 Ca -0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3k56 n LYS 81 Cb 0.29 -1.32 0.29 0.00 -1.84 0.00 0.00 35.03 32.45 3k56 n LYS 81 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3k56 h GLY 82 N 1.55 0.10 0.51 0.72 0.00 -1.15 -2.12 103.07 102.67 3k56 h GLY 82 Ca -0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3k56 h GLY 82 CO -0.04 0.08 -0.02 -2.75 0.00 0.00 0.00 176.54 173.81 3k56 h PHE 83 N 0.08 -0.06 -0.11 5.60 3.57 -1.70 -1.05 116.94 123.26 3k56 h PHE 83 Ca 0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3k56 h PHE 83 Cb 0.76 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 3k56 h PHE 83 CO 0.00 0.41 -0.32 2.35 -2.23 0.00 0.00 178.31 178.52 3k56 h TRP 84 N -0.56 -0.89 -0.58 0.41 -0.00 -1.80 -0.27 115.95 112.26 3k56 h TRP 84 Ca -0.01 0.04 0.05 0.00 -0.00 0.00 0.00 58.89 58.97 3k56 h TRP 84 Cb 0.50 0.41 -0.03 0.00 -0.00 0.00 0.00 29.16 30.03 3k56 h TRP 84 CO 0.09 -0.40 0.38 0.93 -0.00 0.00 0.00 178.44 179.44 3k56 h GLU 85 N -0.41 0.57 -0.01 2.65 5.08 -1.30 0.57 114.58 121.73 3k56 h GLU 85 Ca 0.09 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 3k56 h GLU 85 Cb 0.55 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3k56 h GLU 85 CO -0.34 0.38 -0.73 0.82 -1.00 0.00 0.00 179.01 178.14 3k56 h ILE 86 N 0.59 1.38 -0.34 3.13 2.04 -0.84 -2.55 117.51 120.92 3k56 h ILE 86 Ca 0.24 -2.11 0.07 0.00 1.00 0.00 0.00 64.86 64.06 3k56 h ILE 86 Cb 0.21 2.50 -0.08 0.00 -0.74 0.00 0.00 36.82 38.71 3k56 h ILE 86 CO -0.07 0.63 -0.36 1.56 0.00 0.00 0.00 178.15 179.91 3k56 h GLN 87 N 0.07 -0.31 -0.40 2.37 4.20 0.94 -1.49 115.11 120.50 3k56 h GLN 87 Ca -0.09 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.72 3k56 h GLN 87 Cb 1.42 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 29.20 3k56 h GLN 87 CO 0.14 -0.20 -0.03 -0.09 -0.67 0.00 0.00 178.83 177.98 3k56 h ARG 88 N -0.32 0.07 -0.27 1.46 2.43 0.02 0.35 114.38 118.12 3k56 h ARG 88 Ca 0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3k56 h ARG 88 Cb 0.56 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3k56 h ARG 88 CO -0.51 0.04 0.18 0.00 -1.51 0.00 0.00 179.97 178.17 3k56 h ALA 89 N 1.36 0.34 -0.28 2.80 0.00 -1.01 -0.61 119.26 121.87 3k56 h ALA 89 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3k56 h ALA 89 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k56 h ALA 89 CO -0.35 -0.19 0.06 0.52 0.00 0.00 0.00 179.25 179.29 3k56 h MET 90 N 0.36 0.40 -0.76 0.00 2.86 -0.58 -2.33 114.93 114.89 3k56 h MET 90 Ca 0.10 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3k56 h MET 90 Cb -0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3k56 h MET 90 CO -0.02 0.38 0.28 0.00 1.06 0.00 0.00 176.91 178.61 3k56 h ARG 91 N 0.40 1.14 -0.15 1.72 3.08 0.11 0.23 114.38 120.90 3k56 h ARG 91 Ca 0.10 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3k56 h ARG 91 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3k56 h ARG 91 CO -0.00 0.94 0.09 0.00 -1.07 0.00 0.00 179.97 179.93 3k56 h ARG 92 N 1.11 0.19 -0.10 0.04 2.47 -0.86 0.33 114.38 117.56 3k56 h ARG 92 Ca 0.25 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 3k56 h ARG 92 Cb 0.24 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3k56 h ARG 92 CO -0.02 0.12 0.01 0.35 0.56 0.00 0.00 179.97 181.00 3k56 h PHE 93 N 0.19 0.18 -0.93 3.04 3.57 -1.07 -1.58 116.94 120.34 3k56 h PHE 93 Ca 0.06 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3k56 h PHE 93 Cb -0.01 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3k56 h PHE 93 CO -0.07 0.40 0.61 -0.97 -2.23 0.00 0.00 178.31 176.05 3k56 h ASN 94 N -0.09 1.02 0.11 0.41 -1.24 -0.29 -1.79 115.58 113.71 3k56 h ASN 94 Ca 0.03 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3k56 h ASN 94 Cb 0.32 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.13 3k56 h ASN 94 CO 0.00 0.71 -0.05 0.78 -1.29 0.00 0.00 177.43 177.58 3k56 h ASN 95 N 1.19 -0.13 -0.94 1.15 -0.26 0.13 0.21 115.58 116.94 3k56 h ASN 95 Ca 0.36 -0.16 0.14 0.00 -0.56 0.00 0.00 56.30 56.07 3k56 h ASN 95 Cb -0.03 0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.18 3k56 h ASN 95 CO -0.10 0.09 0.55 0.40 -1.06 0.00 0.00 177.43 177.31 3k56 h ILE 96 N -0.35 0.83 -0.15 2.81 2.04 -0.99 0.26 117.51 121.96 3k56 h ILE 96 Ca -0.02 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 3k56 h ILE 96 Cb 0.28 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3k56 h ILE 96 CO 0.03 0.15 -0.56 0.40 0.00 0.00 0.00 178.15 178.17 3k56 h ILE 97 N 0.83 1.32 -0.15 -0.67 2.04 -1.03 -2.53 117.51 117.33 3k56 h ILE 97 Ca 0.49 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 3k56 h ILE 97 Cb 0.58 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3k56 h ILE 97 CO -0.31 0.56 -0.34 0.40 0.00 0.00 0.00 178.15 178.46 3k56 h ILE 98 N 0.32 1.28 -0.08 -0.67 2.04 0.02 -1.75 117.51 118.68 3k56 h ILE 98 Ca -0.03 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3k56 h ILE 98 Cb 1.19 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3k56 h ILE 98 CO 0.12 0.42 -0.25 0.44 0.00 0.00 0.00 178.15 178.88 3k56 h ASP 99 N 0.26 0.13 0.02 1.72 3.32 -0.43 -1.01 116.42 120.45 3k56 h ASP 99 Ca 0.03 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 3k56 h ASP 99 Cb 0.73 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.26 3k56 h ASP 99 CO 0.06 0.39 -0.61 0.74 -1.72 0.00 0.00 179.24 178.10 3k56 h THR 100 N 0.13 1.45 -0.33 0.35 2.02 -0.97 -1.44 112.91 114.12 3k56 h THR 100 Ca 0.02 -2.15 0.06 0.00 0.77 0.00 0.00 66.41 65.11 3k56 h THR 100 Cb 0.51 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.60 3k56 h THR 100 CO 0.04 0.62 0.02 -0.07 0.37 0.00 0.00 175.52 176.49 3k56 h LEU 101 N -0.19 -0.09 -1.11 2.58 3.38 -1.15 -2.30 115.31 116.43 3k56 h LEU 101 Ca -0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3k56 h LEU 101 Cb 1.34 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 3k56 h LEU 101 CO 0.12 -0.01 0.60 1.56 0.09 0.00 0.00 178.44 180.80 3k56 h GLN 102 N 0.12 1.00 0.00 1.13 1.08 -1.16 -1.04 115.11 116.25 3k56 h GLN 102 Ca 0.16 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3k56 h GLN 102 Cb 0.20 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3k56 h GLN 102 CO -0.25 0.66 -0.00 0.66 -0.95 0.00 0.00 178.83 178.96 3k56 h SER 103 N 1.03 0.00 -0.52 1.46 4.64 -0.67 -0.85 113.55 118.64 3k56 h SER 103 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3k56 h SER 103 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3k56 h SER 103 CO -0.17 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.57 3k56 n TYR 104 N -3.12 1.63 -1.97 4.77 4.01 -0.50 -4.93 117.16 117.05 3k56 n TYR 104 Ca -0.03 -0.72 -0.14 0.00 -0.16 0.00 0.00 57.90 56.85 3k56 n TYR 104 Cb 0.08 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 3k56 n TYR 104 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k56 n ASP 105 N 0.52 -4.47 -4.68 7.72 8.00 -0.32 -4.89 116.55 118.42 3k56 n ASP 105 Ca 0.25 0.11 -0.40 0.00 0.71 0.00 0.00 54.79 55.47 3k56 n ASP 105 Cb 1.03 -3.49 -0.06 0.00 -0.02 0.00 0.00 41.12 38.59 3k56 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k56 s ILE 106 N -2.64 5.03 -0.88 0.53 1.01 -0.58 -4.94 121.20 118.72 3k56 s ILE 106 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.83 3k56 s ILE 106 Cb 0.00 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 3k56 s ILE 106 CO 0.00 0.15 2.28 -0.81 0.00 0.00 0.00 174.94 176.56 3k56 n PRO 107 N 4.70 2.19 -2.50 2.79 -0.04 -1.26 -3.77 135.00 137.12 3k56 n PRO 107 Ca -0.02 -1.44 -0.36 0.00 -0.04 0.00 0.00 63.50 61.64 3k56 n PRO 107 Cb 0.50 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 3k56 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k56 s ALA 108 N 2.99 3.06 0.05 0.55 0.00 -1.26 -0.94 121.76 126.21 3k56 s ALA 108 Ca 0.44 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 3k56 s ALA 108 Cb 0.13 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3k56 s ALA 108 CO -0.03 -0.29 -0.00 0.14 0.00 0.00 0.00 175.76 175.58 3k56 s VAL 109 N -1.66 0.19 -0.16 0.00 -7.23 -0.95 -4.89 120.40 105.70 3k56 s VAL 109 Ca 0.59 -1.58 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 3k56 s VAL 109 Cb -0.23 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 3k56 s VAL 109 CO 0.28 -0.87 0.68 -0.55 -0.31 0.00 0.00 175.10 174.33 3k56 s SER 110 N -2.67 6.82 -0.27 4.85 0.15 -1.26 -0.37 113.70 120.95 3k56 s SER 110 Ca 0.03 0.99 -0.05 0.00 0.70 0.00 0.00 55.95 57.62 3k56 s SER 110 Cb 0.05 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3k56 s SER 110 CO -0.09 -0.25 0.03 -0.63 1.20 0.00 0.00 173.24 173.50 3k56 s ILE 111 N 1.66 3.67 -0.40 6.45 -1.09 -0.50 -4.90 121.20 126.09 3k56 s ILE 111 Ca 0.33 -0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 58.02 3k56 s ILE 111 Cb -0.16 -2.83 0.09 0.00 -1.58 0.00 0.00 42.46 37.97 3k56 s ILE 111 CO 0.12 0.19 0.20 -1.58 -1.23 0.00 0.00 174.94 172.64 3k56 s GLN 112 N 1.47 2.26 0.23 2.79 0.74 -1.26 -3.82 119.66 122.07 3k56 s GLN 112 Ca 0.03 -1.63 -0.06 0.00 0.05 0.00 0.00 55.36 53.75 3k56 s GLN 112 Cb -0.16 -3.60 0.22 0.00 1.10 0.00 0.00 33.01 30.57 3k56 s GLN 112 CO 0.00 -0.98 1.77 -1.35 -0.55 0.00 0.00 175.29 174.18 3k56 h PRO 113 N 8.17 1.06 -0.95 1.67 0.11 -1.92 -2.39 132.00 137.74 3k56 h PRO 113 Ca -0.17 -0.23 0.28 0.00 0.11 0.00 0.00 66.00 65.98 3k56 h PRO 113 Cb 1.06 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 3k56 h PRO 113 CO 0.70 0.92 0.91 0.66 -0.21 0.00 0.00 178.00 180.97 3k56 h SER 114 N 1.01 0.00 1.33 -2.05 4.64 -1.88 0.20 113.55 116.80 3k56 h SER 114 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3k56 h SER 114 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3k56 h SER 114 CO -0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3k56 h SER 115 N 0.00 0.00 0.00 4.97 0.02 -1.74 -3.42 113.55 113.38 3k56 h SER 115 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3k56 h SER 115 Cb 2.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.81 3k56 h SER 115 CO -0.00 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 177.91 3k56 n PHE 116 N -2.48 0.00 -3.59 3.45 1.16 0.44 -5.10 117.46 111.34 3k56 n PHE 116 Ca 0.04 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.26 3k56 n PHE 116 Cb 0.38 0.05 -0.08 0.00 -1.61 0.00 0.00 39.48 38.22 3k56 n PHE 116 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k56 s VAL 117 N 0.00 5.33 -0.24 1.97 1.01 0.34 -4.73 120.40 124.08 3k56 s VAL 117 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 3k56 s VAL 117 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3k56 s VAL 117 CO 0.00 0.38 -0.03 -0.69 0.00 0.00 0.00 175.10 174.76 3k56 s VAL 118 N 0.61 3.22 0.00 2.92 1.01 -0.05 -4.06 120.40 124.04 3k56 s VAL 118 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3k56 s VAL 118 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3k56 s VAL 118 CO 0.03 0.26 0.00 0.33 0.00 0.00 0.00 175.10 175.72 3k56 n PHE 119 N 4.75 -2.14 -2.08 5.22 7.35 -0.81 -0.36 117.46 129.39 3k56 n PHE 119 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 3k56 n PHE 119 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 3k56 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3k56 n GLY 120 N 4.89 -1.78 3.71 7.13 0.00 -1.26 -3.58 105.19 114.30 3k56 n GLY 120 Ca 0.00 -1.68 -0.62 0.00 0.00 0.00 0.00 46.02 43.72 3k56 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k56 n ASP 121 N 0.20 1.74 -2.56 1.61 9.92 -1.26 -3.73 116.55 122.48 3k56 n ASP 121 Ca 0.00 1.13 -0.03 0.00 -0.53 0.00 0.00 54.79 55.36 3k56 n ASP 121 Cb 0.00 -1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 3k56 n ASP 121 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3k56 n LYS 122 N 4.46 -4.13 -1.59 -1.24 4.76 -1.26 -4.74 118.16 114.42 3k56 n LYS 122 Ca 0.28 3.10 -0.44 0.00 -2.87 0.00 0.00 58.31 58.37 3k56 n LYS 122 Cb 0.05 -4.20 -0.04 0.00 -1.84 0.00 0.00 35.03 29.00 3k56 n LYS 122 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3k56 n LEU 123 N 1.88 3.25 -4.54 -0.35 7.94 -1.24 -4.85 117.00 119.09 3k56 n LEU 123 Ca -0.24 0.32 -0.42 0.00 -1.11 0.00 0.00 56.01 54.57 3k56 n LEU 123 Cb 0.36 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.73 3k56 n LEU 123 CO 0.22 -0.57 0.35 -0.63 -1.11 0.00 0.00 177.39 175.65 3k56 s ILE 124 N 7.66 4.89 -0.42 1.96 1.01 0.52 -4.97 121.20 131.85 3k56 s ILE 124 Ca 1.00 0.33 0.07 0.00 0.00 0.00 0.00 60.65 62.06 3k56 s ILE 124 Cb -0.41 -4.11 0.18 0.00 0.01 0.00 0.00 42.46 38.13 3k56 s ILE 124 CO 0.38 -0.42 0.62 0.12 0.00 0.00 0.00 174.94 175.64 3k56 s PHE 125 N 2.69 -1.57 -0.13 3.97 5.99 -1.26 -0.87 117.98 126.79 3k56 s PHE 125 Ca 0.22 0.03 -0.29 0.00 0.00 0.00 0.00 56.93 56.89 3k56 s PHE 125 Cb -0.15 0.25 -0.03 0.00 0.00 0.00 0.00 43.02 43.09 3k56 s PHE 125 CO 0.16 -1.17 1.50 0.34 -0.00 0.00 0.00 175.22 176.06 3k56 s ASP 126 N 1.67 6.71 0.00 6.13 -1.08 -1.26 -4.90 116.67 123.94 3k56 s ASP 126 Ca 0.18 1.92 0.19 0.00 -0.52 0.00 0.00 52.55 54.32 3k56 s ASP 126 Cb -0.04 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.41 3k56 s ASP 126 CO -0.06 -0.93 1.43 0.35 0.52 0.00 0.00 175.17 176.48 3k56 n THR 127 N 5.62 0.53 -0.09 1.71 -2.24 -1.26 -4.50 114.28 114.05 3k56 n THR 127 Ca 0.16 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 3k56 n THR 127 Cb 0.44 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 3k56 n THR 127 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k56 h SER 128 N 3.23 -1.39 -0.86 3.42 0.02 -2.01 -1.21 113.55 114.75 3k56 h SER 128 Ca 0.00 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 3k56 h SER 128 Cb 0.72 0.60 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 3k56 h SER 128 CO 0.00 -0.38 0.53 0.00 -1.14 0.00 0.00 176.83 175.83 3k56 h ALA 129 N 0.35 1.18 -0.83 3.77 0.00 -2.01 -1.41 119.26 120.32 3k56 h ALA 129 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k56 h ALA 129 Cb 0.59 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3k56 h ALA 129 CO -0.52 0.25 0.39 0.82 0.00 0.00 0.00 179.25 180.19 3k56 h ILE 130 N 0.95 1.26 -0.23 0.00 2.04 -1.60 -0.60 117.51 119.33 3k56 h ILE 130 Ca 0.38 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3k56 h ILE 130 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3k56 h ILE 130 CO -0.18 0.31 0.06 0.11 0.00 0.00 0.00 178.15 178.45 3k56 h LYS 131 N 1.19 0.37 -0.60 2.37 1.57 -0.19 -1.48 116.57 119.80 3k56 h LYS 131 Ca 0.29 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 3k56 h LYS 131 Cb 0.13 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3k56 h LYS 131 CO -0.03 0.48 0.24 0.93 -0.57 0.00 0.00 179.45 180.49 3k56 h GLU 132 N 0.19 0.42 -0.77 3.15 4.39 -1.29 -0.26 114.58 120.41 3k56 h GLU 132 Ca 0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3k56 h GLU 132 Cb 0.27 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3k56 h GLU 132 CO 0.00 0.28 0.48 0.52 -1.16 0.00 0.00 179.01 179.13 3k56 h MET 133 N 0.44 1.04 -0.54 2.33 2.86 -0.78 -1.50 114.93 118.76 3k56 h MET 133 Ca 0.29 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3k56 h MET 133 Cb 0.33 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3k56 h MET 133 CO -0.28 0.71 0.21 -0.07 1.06 0.00 0.00 176.91 178.55 3k56 h LEU 134 N 1.06 0.75 -1.47 1.22 3.38 -0.47 -0.47 115.31 119.31 3k56 h LEU 134 Ca 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3k56 h LEU 134 Cb -0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3k56 h LEU 134 CO -0.06 0.72 0.13 0.11 0.09 0.00 0.00 178.44 179.44 3k56 h LYS 135 N 0.74 0.00 -0.03 1.13 1.57 -0.02 0.13 116.57 120.09 3k56 h LYS 135 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3k56 h LYS 135 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3k56 h LYS 135 CO -0.01 0.00 -0.11 0.54 -0.57 0.00 0.00 179.45 179.29 3k56 n ARG 136 N -2.34 1.99 -1.85 3.15 5.12 -0.25 -4.96 116.66 117.52 3k56 n ARG 136 Ca -0.01 -1.66 -0.10 0.00 -1.93 0.00 0.00 57.85 54.14 3k56 n ARG 136 Cb 0.17 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.00 3k56 n ARG 136 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3k56 n ASN 137 N 0.98 -3.71 -4.87 0.55 5.03 0.44 -5.03 115.26 108.65 3k56 n ASN 137 Ca 0.12 0.09 -0.30 0.00 0.87 0.00 0.00 54.58 55.36 3k56 n ASN 137 Cb 0.55 -2.64 -0.01 0.00 -1.02 0.00 0.00 39.78 36.66 3k56 n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k56 s LEU 138 N -2.69 3.59 -0.65 3.41 1.43 -0.80 -4.82 118.68 118.15 3k56 s LEU 138 Ca 0.00 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.30 3k56 s LEU 138 Cb 0.00 -4.19 0.17 0.00 0.03 0.00 0.00 46.19 42.20 3k56 s LEU 138 CO 0.00 -0.60 0.49 -0.69 0.23 0.00 0.00 176.35 175.78 3k56 s VAL 139 N -2.71 3.98 0.22 -1.59 1.01 -0.12 -4.39 120.40 116.80 3k56 s VAL 139 Ca 0.53 -2.90 -0.32 0.00 0.00 0.00 0.00 61.98 59.29 3k56 s VAL 139 Cb -0.10 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 3k56 s VAL 139 CO 0.40 -0.90 1.61 -2.65 0.00 0.00 0.00 175.10 173.56 3k56 n PRO 140 N 3.55 2.47 -3.94 2.72 -0.02 -1.26 -2.24 135.00 136.29 3k56 n PRO 140 Ca 0.09 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 62.11 3k56 n PRO 140 Cb 0.39 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.06 3k56 n PRO 140 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k56 s VAL 141 N 0.68 2.88 0.06 -1.45 1.01 0.50 -0.70 120.40 123.37 3k56 s VAL 141 Ca 0.73 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3k56 s VAL 141 Cb -0.57 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3k56 s VAL 141 CO 0.40 -0.03 0.04 -0.63 0.00 0.00 0.00 175.10 174.89 3k56 s ILE 142 N 1.25 4.36 0.06 2.22 1.01 0.30 -1.41 121.20 128.99 3k56 s ILE 142 Ca -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3k56 s ILE 142 Cb -0.19 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3k56 s ILE 142 CO -0.02 0.20 -0.06 -1.38 0.00 0.00 0.00 174.94 173.68 3k56 s HIS 143 N -1.28 0.65 0.37 3.97 -3.43 -1.25 -2.13 115.29 112.18 3k56 s HIS 143 Ca 0.26 -0.74 -0.26 0.00 -0.80 0.00 0.00 55.06 53.52 3k56 s HIS 143 Cb -0.12 -0.40 -0.12 0.00 -1.43 0.00 0.00 32.58 30.51 3k56 s HIS 143 CO 0.18 -0.17 1.04 0.41 -2.00 0.00 0.00 174.74 174.20 3k56 n GLY 144 N 0.77 -0.13 3.53 -1.38 0.00 -0.63 -4.64 105.19 102.71 3k56 n GLY 144 Ca -0.18 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3k56 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k56 s ASP 145 N -0.62 -0.08 0.29 1.61 2.15 -0.98 -4.68 116.67 114.36 3k56 s ASP 145 Ca 0.60 -0.90 -0.29 0.00 0.43 0.00 0.00 52.55 52.40 3k56 s ASP 145 Cb -0.60 0.55 -0.09 0.00 -0.30 0.00 0.00 42.92 42.48 3k56 s ASP 145 CO 0.59 -1.08 1.03 -0.51 -0.17 0.00 0.00 175.17 175.02 3k56 s ILE 146 N -4.00 3.76 0.04 4.11 1.10 -1.26 -1.80 121.20 123.15 3k56 s ILE 146 Ca 0.21 1.69 -0.01 0.00 -0.51 0.00 0.00 60.65 62.04 3k56 s ILE 146 Cb 0.00 -4.04 -0.03 0.00 0.15 0.00 0.00 42.46 38.54 3k56 s ILE 146 CO 0.07 0.34 -0.03 0.68 -2.11 0.00 0.00 174.94 173.89 3k56 s VAL 147 N -1.27 0.20 0.52 4.00 -7.23 -0.34 -3.51 120.40 112.77 3k56 s VAL 147 Ca 0.45 -1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3k56 s VAL 147 Cb -0.28 -1.05 -0.06 0.00 0.56 0.00 0.00 36.38 35.56 3k56 s VAL 147 CO 0.35 -0.80 1.34 -0.38 -0.31 0.00 0.00 175.10 175.30 3k56 n ILE 148 N 0.68 3.54 -3.69 -0.62 2.08 -1.26 -1.44 119.36 118.65 3k56 n ILE 148 Ca -0.18 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.34 3k56 n ILE 148 Cb 0.59 -1.66 -0.15 0.00 -0.75 0.00 0.00 39.64 37.67 3k56 n ILE 148 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3k56 s ASP 149 N -0.82 3.92 0.59 4.38 -1.08 0.32 -1.93 116.67 122.05 3k56 s ASP 149 Ca 0.69 -1.59 0.29 0.00 -0.52 0.00 0.00 52.55 51.41 3k56 s ASP 149 Cb -0.43 -0.76 1.54 0.00 -1.46 0.00 0.00 42.92 41.80 3k56 s ASP 149 CO 0.51 -0.42 1.97 -2.24 0.52 0.00 0.00 175.17 175.51 3k56 h ASP 150 N 8.12 0.00 0.00 -0.34 2.03 -1.81 1.77 116.42 126.19 3k56 h ASP 150 Ca -0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 3k56 h ASP 150 Cb 1.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 3k56 h ASP 150 CO 0.46 0.00 -0.10 0.50 -1.03 0.00 0.00 179.24 179.07 3k56 h LYS 151 N 0.00 0.00 -0.14 4.15 3.64 -1.96 -3.42 116.57 118.84 3k56 h LYS 151 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3k56 h LYS 151 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3k56 h LYS 151 CO -0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 3k56 n ASN 152 N -3.63 1.33 0.00 4.20 3.02 -0.79 -5.00 115.26 114.38 3k56 n ASN 152 Ca -0.01 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 3k56 n ASN 152 Cb 0.05 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3k56 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k56 n GLY 153 N 1.05 2.14 3.06 7.41 0.00 0.60 -4.88 105.19 114.56 3k56 n GLY 153 Ca 0.15 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3k56 n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k56 s TYR 154 N 0.00 0.81 0.12 1.61 2.02 -1.26 0.12 117.35 120.76 3k56 s TYR 154 Ca 0.00 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3k56 s TYR 154 Cb 0.00 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 3k56 s TYR 154 CO 0.00 -0.02 0.05 0.50 -1.57 0.00 0.00 175.55 174.51 3k56 s ARG 155 N -0.91 0.87 -0.28 -0.62 3.52 -0.52 -4.78 118.95 116.24 3k56 s ARG 155 Ca -0.02 -1.38 -0.04 0.00 -0.13 0.00 0.00 55.73 54.16 3k56 s ARG 155 Cb -0.06 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3k56 s ARG 155 CO 0.00 -0.24 0.02 0.42 -0.81 0.00 0.00 175.30 174.70 3k56 s ILE 156 N -4.02 3.48 0.14 4.11 1.01 -1.26 -1.20 121.20 123.46 3k56 s ILE 156 Ca 0.20 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 3k56 s ILE 156 Cb 0.07 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.66 3k56 s ILE 156 CO -0.01 0.11 0.72 -0.51 0.00 0.00 0.00 174.94 175.25 3k56 s ILE 157 N 1.41 4.47 0.45 2.92 2.07 -0.74 -4.94 121.20 126.84 3k56 s ILE 157 Ca 0.01 1.57 0.06 0.00 -1.41 0.00 0.00 60.65 60.89 3k56 s ILE 157 Cb -0.17 -4.07 -0.03 0.00 0.13 0.00 0.00 42.46 38.31 3k56 s ILE 157 CO -0.00 0.53 0.19 -0.94 -1.91 0.00 0.00 174.94 172.80 3k56 s SER 158 N -1.12 4.40 0.34 4.50 1.04 -1.26 -2.32 113.70 119.27 3k56 s SER 158 Ca 0.34 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.62 3k56 s SER 158 Cb -0.22 -0.20 0.63 0.00 0.10 0.00 0.00 66.02 66.33 3k56 s SER 158 CO 0.24 -0.67 1.91 1.23 0.98 0.00 0.00 173.24 176.93 3k56 h GLY 159 N 1.32 0.62 1.91 7.32 0.00 -1.93 -1.80 103.07 110.52 3k56 h GLY 159 Ca -0.42 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.59 3k56 h GLY 159 CO 0.69 0.31 0.04 -0.55 0.00 0.00 0.00 176.54 177.03 3k56 h ASP 160 N 0.57 0.00 0.00 0.19 3.32 -1.97 0.52 116.42 119.05 3k56 h ASP 160 Ca 0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3k56 h ASP 160 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3k56 h ASP 160 CO -0.00 0.00 -0.18 0.44 -1.72 0.00 0.00 179.24 177.78 3k56 h ASP 161 N 0.00 0.00 -0.32 6.45 3.32 -1.73 -3.36 116.42 120.77 3k56 h ASP 161 Ca 0.01 -0.66 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 3k56 h ASP 161 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3k56 h ASP 161 CO -0.00 0.93 0.12 0.40 -1.72 0.00 0.00 179.24 178.97 3k56 h ILE 162 N -1.00 1.19 -0.87 0.35 2.04 -1.06 -1.91 117.51 116.26 3k56 h ILE 162 Ca -0.04 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3k56 h ILE 162 Cb 0.78 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3k56 h ILE 162 CO -0.03 0.21 0.47 0.58 0.00 0.00 0.00 178.15 179.39 3k56 h VAL 163 N 0.37 1.25 0.17 1.67 2.07 -0.15 -1.65 116.25 119.99 3k56 h VAL 163 Ca 0.11 -0.63 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 3k56 h VAL 163 Cb 0.21 0.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3k56 h VAL 163 CO -0.01 0.28 -0.96 1.55 0.02 0.00 0.00 177.57 178.45 3k56 h PRO 164 N 1.21 0.35 -0.96 1.57 0.13 -1.66 -1.99 132.00 130.66 3k56 h PRO 164 Ca 0.31 -0.60 0.25 0.00 -0.87 0.00 0.00 66.00 65.08 3k56 h PRO 164 Cb 0.03 0.22 -0.18 0.00 0.13 0.00 0.00 31.00 31.21 3k56 h PRO 164 CO -0.05 1.29 -0.01 -0.92 -0.23 0.00 0.00 178.00 178.08 3k56 h TYR 165 N -0.26 -0.11 0.15 1.56 3.20 -1.33 -1.48 116.97 118.70 3k56 h TYR 165 Ca -0.17 0.07 -0.30 0.00 3.14 0.00 0.00 58.73 61.47 3k56 h TYR 165 Cb 1.76 0.20 0.01 0.00 1.54 0.00 0.00 36.73 40.24 3k56 h TYR 165 CO 0.18 -0.40 -1.41 -0.07 -1.64 0.00 0.00 178.16 174.82 3k56 h LEU 166 N 0.02 0.49 -1.11 2.82 3.38 -1.23 0.18 115.31 119.86 3k56 h LEU 166 Ca 0.56 -0.58 0.17 0.00 0.09 0.00 0.00 57.88 58.12 3k56 h LEU 166 Cb 1.09 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 3k56 h LEU 166 CO -0.90 1.47 0.61 0.00 0.09 0.00 0.00 178.44 179.71 3k56 h ALA 167 N 0.46 1.73 0.01 1.53 0.00 -0.88 0.33 119.26 122.45 3k56 h ALA 167 Ca -0.20 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 3k56 h ALA 167 Cb 2.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 3k56 h ALA 167 CO 0.20 -0.05 -1.60 -0.97 0.00 0.00 0.00 179.25 176.83 3k56 h ASN 168 N 0.76 0.02 0.70 0.00 -1.24 -1.13 0.12 115.58 114.82 3k56 h ASN 168 Ca 0.53 -0.05 -0.16 0.00 0.71 0.00 0.00 56.30 57.34 3k56 h ASN 168 Cb 0.82 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 3k56 h ASN 168 CO -0.30 1.04 -0.73 -0.08 -1.29 0.00 0.00 177.43 176.06 3k56 h GLU 169 N 0.00 0.03 -0.15 6.67 4.57 -0.05 -3.17 114.58 122.48 3k56 h GLU 169 Ca -0.25 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3k56 h GLU 169 Cb 1.98 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 3k56 h GLU 169 CO 0.09 0.75 0.00 1.28 -1.18 0.00 0.00 179.01 179.95 3k56 n LEU 170 N -3.68 2.49 -3.63 1.64 4.77 0.11 -5.02 117.00 113.69 3k56 n LEU 170 Ca -0.01 -1.31 -0.21 0.00 -0.03 0.00 0.00 56.01 54.46 3k56 n LEU 170 Cb 0.71 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 3k56 n LEU 170 CO 0.44 0.52 -0.03 1.17 -1.33 0.00 0.00 177.39 178.16 3k56 n LYS 171 N 0.80 -4.89 -2.07 3.23 4.81 -0.11 -4.92 118.16 115.00 3k56 n LYS 171 Ca 0.10 0.67 -0.36 0.00 -0.87 0.00 0.00 58.31 57.85 3k56 n LYS 171 Cb 0.39 -5.28 0.02 0.00 0.02 0.00 0.00 35.03 30.18 3k56 n LYS 171 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k56 s ALA 172 N -3.59 2.65 -0.09 3.14 0.00 0.23 -4.93 121.76 119.16 3k56 s ALA 172 Ca 0.05 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 3k56 s ALA 172 Cb -0.01 -3.44 -0.29 0.00 0.00 0.00 0.00 23.12 19.39 3k56 s ALA 172 CO 0.80 -1.04 0.77 -0.44 0.00 0.00 0.00 175.76 175.85 3k56 h ASP 173 N 1.14 0.29 -3.48 0.00 3.32 -1.61 -3.47 116.42 112.63 3k56 h ASP 173 Ca -0.50 -0.93 -0.58 0.00 0.02 0.00 0.00 57.03 55.04 3k56 h ASP 173 Cb 1.29 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 3k56 h ASP 173 CO 0.56 1.32 -0.84 -0.22 -1.72 0.00 0.00 179.24 178.34 3k56 s LEU 174 N -7.93 1.84 -0.11 1.55 2.96 -1.20 -4.93 118.68 110.86 3k56 s LEU 174 Ca -0.17 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3k56 s LEU 174 Cb 0.00 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.67 3k56 s LEU 174 CO 0.77 0.10 -0.12 -0.63 -1.32 0.00 0.00 176.35 175.14 3k56 s ILE 175 N 0.45 1.28 -0.05 6.68 1.01 -1.25 -1.76 121.20 127.56 3k56 s ILE 175 Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3k56 s ILE 175 Cb -0.16 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3k56 s ILE 175 CO 0.05 0.40 -0.14 -0.76 0.00 0.00 0.00 174.94 174.49 3k56 s LEU 176 N 1.23 1.82 -0.28 2.97 1.43 -0.08 -0.35 118.68 125.43 3k56 s LEU 176 Ca -0.03 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3k56 s LEU 176 Cb -0.14 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.30 3k56 s LEU 176 CO -0.04 0.10 -0.06 -0.31 0.23 0.00 0.00 176.35 176.27 3k56 s TYR 177 N 0.23 3.24 -0.13 0.29 2.02 0.38 -0.57 117.35 122.81 3k56 s TYR 177 Ca -0.07 -2.40 -0.14 0.00 -0.37 0.00 0.00 57.07 54.09 3k56 s TYR 177 Cb -0.12 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 3k56 s TYR 177 CO 0.02 -0.88 0.33 0.00 -1.57 0.00 0.00 175.55 173.45 3k56 s ALA 178 N 1.10 3.60 0.26 3.71 0.00 -0.72 -2.17 121.76 127.55 3k56 s ALA 178 Ca -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3k56 s ALA 178 Cb -0.20 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3k56 s ALA 178 CO -0.06 0.15 0.35 0.25 0.00 0.00 0.00 175.76 176.45 3k56 n THR 179 N 3.30 0.00 -0.53 0.00 -2.24 -0.75 -0.94 114.28 113.13 3k56 n THR 179 Ca -0.12 -1.43 0.07 0.00 -2.27 0.00 0.00 64.05 60.30 3k56 n THR 179 Cb 0.52 0.85 0.34 0.00 -2.10 0.00 0.00 70.33 69.93 3k56 n THR 179 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k56 n ASP 180 N -1.79 4.81 -4.30 3.42 5.68 -1.26 -0.09 116.55 123.02 3k56 n ASP 180 Ca 0.01 -2.68 -0.19 0.00 -0.50 0.00 0.00 54.79 51.44 3k56 n ASP 180 Cb 0.45 -0.63 -0.11 0.00 -1.14 0.00 0.00 41.12 39.70 3k56 n ASP 180 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3k56 s VAL 181 N -2.31 1.58 -1.50 2.12 -7.23 -1.26 -4.92 120.40 106.88 3k56 s VAL 181 Ca 0.46 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.78 3k56 s VAL 181 Cb 0.34 -1.83 0.25 0.00 0.56 0.00 0.00 36.38 35.70 3k56 s VAL 181 CO 0.16 -0.50 1.34 0.47 -0.31 0.00 0.00 175.10 176.26 3k56 n ASP 182 N 0.05 0.00 0.00 4.85 8.00 -1.26 -2.95 116.55 125.24 3k56 n ASP 182 Ca -0.12 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3k56 n ASP 182 Cb 0.59 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3k56 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k56 n GLY 183 N -0.15 -0.77 3.63 0.44 0.00 -1.26 -4.23 105.19 102.85 3k56 n GLY 183 Ca 0.07 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3k56 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k56 s VAL 184 N -3.00 3.78 -0.35 1.61 1.01 -1.26 -4.92 120.40 117.27 3k56 s VAL 184 Ca 0.00 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 3k56 s VAL 184 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3k56 s VAL 184 CO 0.00 -0.34 0.75 -0.76 0.00 0.00 0.00 175.10 174.75 3k56 s LEU 185 N 5.10 4.15 -0.32 3.92 1.43 -1.26 -2.10 118.68 129.59 3k56 s LEU 185 Ca 0.68 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 3k56 s LEU 185 Cb -0.23 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.02 3k56 s LEU 185 CO 0.28 -0.68 0.13 -0.63 0.23 0.00 0.00 176.35 175.69 3k56 s ILE 186 N 2.99 4.32 -1.21 -0.59 -1.09 0.65 -4.50 121.20 121.76 3k56 s ILE 186 Ca 0.30 -0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3k56 s ILE 186 Cb -0.14 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3k56 s ILE 186 CO 0.16 -0.01 0.96 0.47 -1.23 0.00 0.00 174.94 175.29 3k56 n ASP 187 N 4.93 -1.94 -3.19 3.58 8.00 -1.26 -1.66 116.55 125.02 3k56 n ASP 187 Ca -0.14 -0.65 -0.23 0.00 0.71 0.00 0.00 54.79 54.49 3k56 n ASP 187 Cb 0.48 -4.99 0.03 0.00 -0.02 0.00 0.00 41.12 36.61 3k56 n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k56 n ASN 188 N -3.12 -5.38 -3.72 -2.24 4.05 -1.26 -4.97 115.26 98.61 3k56 n ASN 188 Ca -0.29 -0.35 -0.13 0.00 0.45 0.00 0.00 54.58 54.27 3k56 n ASN 188 Cb 0.67 -4.36 -0.10 0.00 1.23 0.00 0.00 39.78 37.22 3k56 n ASN 188 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3k56 s LYS 189 N -5.86 0.47 -0.48 1.20 2.20 -0.66 -5.08 119.74 111.53 3k56 s LYS 189 Ca 0.36 0.62 -0.28 0.00 -0.36 0.00 0.00 55.97 56.31 3k56 s LYS 189 Cb -0.17 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.34 3k56 s LYS 189 CO 0.45 -0.08 1.47 -1.25 -0.36 0.00 0.00 175.35 175.58 3k56 s PRO 190 N 0.46 3.39 0.25 4.03 0.04 -1.26 0.24 135.00 142.15 3k56 s PRO 190 Ca -0.02 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3k56 s PRO 190 Cb -0.04 -4.10 -0.11 0.00 0.04 0.00 0.00 34.50 30.29 3k56 s PRO 190 CO -0.02 -1.80 1.56 0.96 0.04 0.00 0.00 177.00 177.74 3k56 s ILE 191 N 6.01 2.32 0.45 0.56 -4.36 -0.89 -4.86 121.20 120.43 3k56 s ILE 191 Ca 0.60 0.26 0.15 0.00 -0.26 0.00 0.00 60.65 61.40 3k56 s ILE 191 Cb -0.13 -3.16 0.34 0.00 1.25 0.00 0.00 42.46 40.75 3k56 s ILE 191 CO 0.29 0.04 1.98 0.50 0.24 0.00 0.00 174.94 177.99 3k56 h LYS 192 N 5.47 0.33 -2.95 0.37 3.64 -1.93 -3.37 116.57 118.15 3k56 h LYS 192 Ca -0.45 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 3k56 h LYS 192 Cb 1.21 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 3k56 h LYS 192 CO 0.83 0.22 0.25 0.50 -2.27 0.00 0.00 179.45 178.98 3k56 s ARG 193 N -5.33 1.63 -0.31 1.90 3.52 -1.26 -2.39 118.95 116.71 3k56 s ARG 193 Ca -0.07 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 3k56 s ARG 193 Cb 0.20 0.59 0.15 0.00 -1.56 0.00 0.00 34.95 34.33 3k56 s ARG 193 CO 0.75 -0.74 0.36 0.42 -0.81 0.00 0.00 175.30 175.28 3k56 s ILE 194 N -3.83 -0.49 0.00 4.11 1.01 -0.29 -4.87 121.20 116.85 3k56 s ILE 194 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3k56 s ILE 194 Cb -0.05 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.53 3k56 s ILE 194 CO 0.02 -0.42 0.00 0.47 0.00 0.00 0.00 174.94 175.02 3k56 n ASP 195 N 5.08 0.00 -0.89 3.58 8.00 -1.26 -2.86 116.55 128.20 3k56 n ASP 195 Ca 0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.64 3k56 n ASP 195 Cb 0.47 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.82 3k56 n ASP 195 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3k56 n LYS 196 N 0.00 2.19 -0.01 -1.24 -0.00 -1.26 -3.99 118.16 113.85 3k56 n LYS 196 Ca 0.00 -1.77 -0.00 0.00 -0.00 0.00 0.00 58.31 56.54 3k56 n LYS 196 Cb 0.00 -1.47 -0.00 0.00 -0.00 0.00 0.00 35.03 33.56 3k56 n LYS 196 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3k56 h ASN 197 N 3.85 0.00 0.55 -5.58 4.21 -1.99 -3.39 115.58 113.22 3k56 h ASN 197 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3k56 h ASN 197 Cb 0.83 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 3k56 h ASN 197 CO 0.00 0.08 0.00 -0.46 -1.29 0.00 0.00 177.43 175.76 3k56 n ASN 198 N -2.43 0.05 -0.09 5.81 6.94 -1.26 -3.18 115.26 121.10 3k56 n ASN 198 Ca -0.00 0.51 -0.01 0.00 -0.02 0.00 0.00 54.58 55.06 3k56 n ASN 198 Cb 0.01 -0.52 0.25 0.00 -2.36 0.00 0.00 39.78 37.17 3k56 n ASN 198 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3k56 h ILE 199 N 0.00 1.20 0.12 1.53 2.10 -1.76 -2.21 117.51 118.50 3k56 h ILE 199 Ca 0.00 -0.69 0.02 0.00 1.08 0.00 0.00 64.86 65.27 3k56 h ILE 199 Cb 0.27 0.68 -0.04 0.00 -1.09 0.00 0.00 36.82 36.64 3k56 h ILE 199 CO 0.00 0.26 -0.33 0.22 -1.08 0.00 0.00 178.15 177.22 3k56 h TYR 200 N 0.71 -0.89 -0.07 2.19 3.20 -1.77 -1.38 116.97 118.95 3k56 h TYR 200 Ca 0.16 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3k56 h TYR 200 Cb 0.23 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3k56 h TYR 200 CO 0.01 -0.43 0.11 -0.22 -1.64 0.00 0.00 178.16 175.99 3k56 h LYS 201 N -0.55 0.00 0.04 1.82 3.64 -1.68 -3.10 116.57 116.73 3k56 h LYS 201 Ca 0.03 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 3k56 h LYS 201 Cb 0.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3k56 h LYS 201 CO -0.19 0.00 -1.10 0.82 -2.27 0.00 0.00 179.45 176.71 3k56 h ILE 202 N 0.00 1.09 -0.69 2.00 2.04 -0.68 -2.96 117.51 118.32 3k56 h ILE 202 Ca 0.04 -2.27 0.10 0.00 1.00 0.00 0.00 64.86 63.73 3k56 h ILE 202 Cb 0.26 2.58 -0.08 0.00 -0.74 0.00 0.00 36.82 38.84 3k56 h ILE 202 CO -0.00 0.50 0.31 -0.07 0.00 0.00 0.00 178.15 178.88 3k56 h LEU 203 N -0.77 0.36 -0.13 1.44 -0.00 -1.39 -0.20 115.31 114.62 3k56 h LEU 203 Ca -0.28 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.71 3k56 h LEU 203 Cb 1.40 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 42.02 3k56 h LEU 203 CO -0.09 0.19 -0.51 -1.13 -0.00 0.00 0.00 178.44 176.91 3k56 h ASN 204 N 0.51 -1.60 -1.00 -0.43 -0.73 -1.63 -1.65 115.58 109.05 3k56 h ASN 204 Ca 0.35 0.20 0.18 0.00 1.87 0.00 0.00 56.30 58.89 3k56 h ASN 204 Cb 0.43 0.63 -0.10 0.00 0.27 0.00 0.00 38.32 39.55 3k56 h ASN 204 CO -0.31 -0.47 0.61 0.22 -0.37 0.00 0.00 177.43 177.10 3k56 h TYR 205 N -0.56 1.07 0.00 0.67 5.03 -1.26 -2.85 116.97 119.07 3k56 h TYR 205 Ca 0.05 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.39 3k56 h TYR 205 Cb 0.67 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.63 3k56 h TYR 205 CO -0.56 0.27 0.00 1.28 -1.32 0.00 0.00 178.16 177.84 3k56 n LEU 206 N -4.75 0.59 -3.28 2.82 4.77 -0.13 -5.11 117.00 111.91 3k56 n LEU 206 Ca 0.22 -0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 3k56 n LEU 206 Cb 0.53 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3k56 n LEU 206 CO 0.22 0.15 -0.17 -0.94 -1.33 0.00 0.00 177.39 175.32 3k56 s SER 207 N -0.44 0.95 0.00 -1.43 1.04 -1.08 -4.88 113.70 107.86 3k56 s SER 207 Ca 0.00 -2.12 0.00 0.00 0.48 0.00 0.00 55.95 54.31 3k56 s SER 207 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3k56 s SER 207 CO 0.00 -0.20 0.00 0.80 0.98 0.00 0.00 173.24 174.82 3k56 n MET 218 N 3.58 0.00 0.01 4.02 0.00 -1.26 -5.15 117.12 118.32 3k56 n MET 218 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.87 3k56 n MET 218 Cb 0.47 -0.83 -0.00 0.00 0.00 0.00 0.00 33.22 32.86 3k56 n MET 218 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3k56 h LYS 219 N 0.00 -0.04 -0.67 2.12 1.63 -2.01 -3.10 116.57 114.50 3k56 h LYS 219 Ca 0.00 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3k56 h LYS 219 Cb 0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3k56 h LYS 219 CO 0.00 -0.03 0.44 -0.92 -3.45 0.00 0.00 179.45 175.50 3k56 h TYR 220 N -0.04 0.70 0.69 1.91 -0.00 -1.99 -2.14 116.97 116.09 3k56 h TYR 220 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.72 3k56 h TYR 220 Cb 0.04 -0.23 -0.00 0.00 -0.00 0.00 0.00 36.73 36.53 3k56 h TYR 220 CO -0.07 0.38 -0.43 -0.22 -0.00 0.00 0.00 178.16 177.82 3k56 h LYS 221 N 0.70 -1.01 0.00 1.82 3.64 -1.92 -0.28 116.57 119.53 3k56 h LYS 221 Ca 0.28 0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3k56 h LYS 221 Cb 0.23 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3k56 h LYS 221 CO -0.09 -0.67 -0.17 0.82 -2.27 0.00 0.00 179.45 177.06 3k56 h ILE 222 N -1.05 1.04 0.19 2.00 2.04 -1.31 -2.77 117.51 117.66 3k56 h ILE 222 Ca -0.09 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3k56 h ILE 222 Cb 0.85 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3k56 h ILE 222 CO 0.08 0.17 -0.09 -0.33 0.00 0.00 0.00 178.15 177.98 3k56 h GLU 223 N 0.00 -0.24 -1.11 2.37 5.08 -1.46 -3.07 114.58 116.15 3k56 h GLU 223 Ca -0.00 0.02 0.31 0.00 -1.00 0.00 0.00 59.36 58.69 3k56 h GLU 223 Cb 0.33 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3k56 h GLU 223 CO 0.02 -0.02 0.77 1.98 -1.00 0.00 0.00 179.01 180.76 3k56 h MET 224 N -1.03 0.13 0.00 2.33 4.05 -0.78 1.32 114.93 120.95 3k56 h MET 224 Ca -0.03 -0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 59.20 3k56 h MET 224 Cb 0.34 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 3k56 h MET 224 CO 0.04 0.09 -0.88 -0.84 0.23 0.00 0.00 176.91 175.55 3k56 h ILE 225 N 0.14 1.57 0.17 1.77 -0.00 -1.61 -3.33 117.51 116.22 3k56 h ILE 225 Ca 0.57 -3.09 -0.01 0.00 -0.00 0.00 0.00 64.86 62.33 3k56 h ILE 225 Cb 1.96 2.69 0.00 0.00 -0.00 0.00 0.00 36.82 41.47 3k56 h ILE 225 CO -0.11 0.86 -0.08 -0.09 -0.00 0.00 0.00 178.15 178.73 3k56 h ARG 226 N 0.00 -0.21 -5.26 0.16 2.43 0.18 -2.91 114.38 108.77 3k56 h ARG 226 Ca -0.01 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3k56 h ARG 226 Cb 1.62 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 3k56 h ARG 226 CO 0.11 0.05 0.72 1.17 -1.51 0.00 0.00 179.97 180.51 3k56 n LYS 227 N -5.08 0.96 0.00 0.20 4.81 -0.81 -1.05 118.16 117.20 3k56 n LYS 227 Ca -0.09 -2.11 0.00 0.00 -0.87 0.00 0.00 58.31 55.25 3k56 n LYS 227 Cb 0.20 -3.75 0.00 0.00 0.02 0.00 0.00 35.03 31.50 3k56 n LYS 227 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k56 n ASN 228 N 16.18 0.00 -4.34 3.14 5.03 -1.25 -4.90 115.26 129.12 3k56 n ASN 228 Ca 0.44 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.51 3k56 n ASN 228 Cb 0.46 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.17 3k56 n ASN 228 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3k56 n LYS 229 N 0.00 -2.18 -0.96 3.52 2.85 -0.22 -4.92 118.16 116.25 3k56 n LYS 229 Ca 0.00 0.28 -0.12 0.00 -1.05 0.00 0.00 58.31 57.42 3k56 n LYS 229 Cb 0.00 -4.87 0.08 0.00 -0.65 0.00 0.00 35.03 29.59 3k56 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3k56 s ARG 231 N -4.09 0.29 0.28 0.00 3.52 -1.26 0.33 118.95 118.01 3k56 s ARG 231 Ca 0.31 0.67 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 3k56 s ARG 231 Cb -0.01 -0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.05 3k56 s ARG 231 CO 0.22 -0.48 0.05 0.20 -0.81 0.00 0.00 175.30 174.49 3k56 s GLY 232 N 2.52 1.84 -0.07 8.12 0.00 -0.71 -3.79 107.32 115.23 3k56 s GLY 232 Ca 0.06 -1.93 0.03 0.00 0.00 0.00 0.00 44.72 42.89 3k56 s GLY 232 CO -0.13 -1.71 -0.16 -1.36 0.00 0.00 0.00 173.10 169.74 3k56 s PHE 233 N -3.48 1.81 -0.17 1.90 0.08 0.53 -1.29 117.98 117.36 3k56 s PHE 233 Ca 0.35 -0.66 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 3k56 s PHE 233 Cb 0.08 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.25 3k56 s PHE 233 CO 0.13 -0.29 -0.08 0.08 -0.10 0.00 0.00 175.22 174.97 3k56 s VAL 234 N 0.43 3.36 0.31 -0.44 1.01 -0.46 -0.47 120.40 124.15 3k56 s VAL 234 Ca -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3k56 s VAL 234 Cb -0.15 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3k56 s VAL 234 CO 0.05 0.48 0.51 2.22 0.00 0.00 0.00 175.10 178.36 3k56 n PHE 235 N 3.98 -1.60 -3.42 5.22 1.16 -0.92 -0.95 117.46 120.92 3k56 n PHE 235 Ca -0.18 -1.88 -0.39 0.00 -1.87 0.00 0.00 57.45 53.13 3k56 n PHE 235 Cb 0.52 0.58 -0.09 0.00 -1.61 0.00 0.00 39.48 38.88 3k56 n PHE 235 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3k56 s ASN 236 N -2.84 6.20 0.17 5.98 3.84 -1.15 -1.80 114.94 125.34 3k56 s ASN 236 Ca 0.21 0.11 0.24 0.00 0.21 0.00 0.00 52.86 53.63 3k56 s ASN 236 Cb -0.02 -2.19 0.33 0.00 -0.55 0.00 0.00 41.25 38.82 3k56 s ASN 236 CO 0.15 -0.20 1.34 1.23 -2.79 0.00 0.00 177.10 176.83 3k56 h GLY 237 N 8.61 0.00 1.80 1.21 0.00 -0.78 -3.27 103.07 110.64 3k56 h GLY 237 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3k56 h GLY 237 CO 0.64 0.00 -0.19 3.43 0.00 0.00 0.00 176.54 180.42 3k56 h ASN 238 N 0.00 0.00 -3.33 0.19 2.35 -1.92 -3.44 115.58 109.42 3k56 h ASN 238 Ca 0.00 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 3k56 h ASN 238 Cb 0.82 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.12 3k56 h ASN 238 CO 0.00 0.01 0.84 -0.75 -1.65 0.00 0.00 177.43 175.88 3k56 s LYS 239 N -3.21 4.05 0.09 0.81 2.20 -1.23 -4.91 119.74 117.53 3k56 s LYS 239 Ca 0.06 1.04 -0.36 0.00 -0.36 0.00 0.00 55.97 56.36 3k56 s LYS 239 Cb 0.07 -3.75 -0.18 0.00 -1.51 0.00 0.00 37.83 32.47 3k56 s LYS 239 CO 0.68 -0.92 1.05 0.00 -0.36 0.00 0.00 175.35 175.79 3k56 n ALA 240 N 6.91 -2.39 0.00 3.13 0.00 -1.26 -1.22 120.51 125.67 3k56 n ALA 240 Ca 0.12 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3k56 n ALA 240 Cb 0.47 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3k56 n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k56 n ASN 241 N 1.87 0.00 -0.32 0.00 3.02 -1.26 -4.88 115.26 113.69 3k56 n ASN 241 Ca 0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.69 3k56 n ASN 241 Cb 0.17 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 3k56 n ASN 241 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3k56 h ASN 242 N 0.00 1.05 -0.13 6.41 -0.26 -1.44 0.49 115.58 121.70 3k56 h ASN 242 Ca 0.00 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 3k56 h ASN 242 Cb 0.00 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 3k56 h ASN 242 CO 0.00 0.81 -0.06 0.40 -1.06 0.00 0.00 177.43 177.52 3k56 h ILE 243 N 1.19 1.32 0.09 2.81 2.04 -1.85 0.77 117.51 123.88 3k56 h ILE 243 Ca 0.31 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3k56 h ILE 243 Cb -0.03 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3k56 h ILE 243 CO -0.06 0.32 -0.44 0.22 0.00 0.00 0.00 178.15 178.20 3k56 h TYR 244 N -0.08 -1.23 -0.59 1.37 3.20 -1.75 0.28 116.97 118.16 3k56 h TYR 244 Ca 0.03 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3k56 h TYR 244 Cb 0.53 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 3k56 h TYR 244 CO 0.07 -0.53 0.28 0.87 -1.64 0.00 0.00 178.16 177.21 3k56 h LYS 245 N -0.65 0.50 -0.48 1.82 1.57 -0.65 -2.05 116.57 116.63 3k56 h LYS 245 Ca 0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3k56 h LYS 245 Cb 0.69 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3k56 h LYS 245 CO -0.27 0.33 0.09 0.00 -0.57 0.00 0.00 179.45 179.03 3k56 h ALA 246 N 1.35 0.64 -0.68 3.86 0.00 0.10 -2.35 119.26 122.19 3k56 h ALA 246 Ca 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k56 h ALA 246 Cb 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3k56 h ALA 246 CO -0.23 0.35 0.44 -0.07 0.00 0.00 0.00 179.25 179.75 3k56 h LEU 247 N 0.66 0.74 0.00 0.00 3.38 0.11 0.11 115.31 120.32 3k56 h LEU 247 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k56 h LEU 247 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3k56 h LEU 247 CO 0.01 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.24 3k56 n LEU 248 N -4.64 0.00 0.00 1.67 4.32 -0.82 -4.82 117.00 112.70 3k56 n LEU 248 Ca 0.06 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3k56 n LEU 248 Cb 0.05 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3k56 n LEU 248 CO 0.34 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 3k56 n GLY 249 N -0.26 1.21 3.33 -0.72 0.00 0.39 -5.03 105.19 104.11 3k56 n GLY 249 Ca 0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3k56 n GLY 249 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k56 s GLU 250 N -1.30 2.78 0.11 1.61 2.12 -0.95 -5.04 118.70 118.03 3k56 s GLU 250 Ca 0.00 -1.36 -0.12 0.00 0.36 0.00 0.00 54.97 53.85 3k56 s GLU 250 Cb 0.00 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.40 3k56 s GLU 250 CO 0.00 -0.95 0.18 1.33 -0.54 0.00 0.00 175.26 175.28 3k56 n VAL 251 N 5.04 0.73 -3.66 3.70 0.24 -1.26 -4.18 118.33 118.94 3k56 n VAL 251 Ca -0.11 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 61.89 3k56 n VAL 251 Cb 0.44 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.72 3k56 n VAL 251 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k56 s GLU 252 N -0.44 0.36 7.33 7.34 0.41 -1.26 -4.96 118.70 127.48 3k56 s GLU 252 Ca 0.28 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.89 3k56 s GLU 252 Cb -0.38 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.31 3k56 s GLU 252 CO 0.26 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.20 3k56 n GLY 253 N 5.24 2.36 3.55 -1.39 0.00 -1.26 -4.35 105.19 109.34 3k56 n GLY 253 Ca -0.11 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3k56 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k56 s THR 254 N 0.00 5.30 0.21 2.61 2.01 -0.13 -4.66 115.64 120.98 3k56 s THR 254 Ca 0.00 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 3k56 s THR 254 Cb 0.00 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 3k56 s THR 254 CO 0.00 0.09 0.81 -0.70 -0.69 0.00 0.00 174.62 174.13 3k56 s GLU 255 N 1.74 4.54 -0.26 4.92 2.12 -1.00 -1.36 118.70 129.39 3k56 s GLU 255 Ca 0.06 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.54 3k56 s GLU 255 Cb -0.17 -3.11 0.08 0.00 0.26 0.00 0.00 34.13 31.19 3k56 s GLU 255 CO 0.11 0.48 0.06 0.42 -0.54 0.00 0.00 175.26 175.79 3k56 s ILE 256 N -1.30 0.86 -0.37 -3.70 1.01 -0.41 -1.13 121.20 116.15 3k56 s ILE 256 Ca 0.40 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3k56 s ILE 256 Cb -0.21 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.82 3k56 s ILE 256 CO 0.25 -0.45 0.16 -0.62 0.00 0.00 0.00 174.94 174.29 3k56 s ASP 257 N 1.66 5.43 0.00 3.58 3.68 -1.13 -1.73 116.67 128.15 3k56 s ASP 257 Ca 0.04 -1.30 0.00 0.00 2.13 0.00 0.00 52.55 53.42 3k56 s ASP 257 Cb -0.17 -1.91 0.00 0.00 -1.45 0.00 0.00 42.92 39.39 3k56 s ASP 257 CO -0.17 -0.41 0.45 0.49 0.13 0.00 0.00 175.17 175.66