#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kru h ILE 3 N 0.00 0.57 0.00 2.46 2.10 -2.00 -0.33 117.51 120.31 3kru h ILE 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kru h ILE 3 Cb 0.00 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3kru h ILE 3 CO 0.00 0.00 0.00 0.17 -1.08 0.00 0.00 178.15 177.24 3kru h LEU 4 N 0.00 0.00 -0.71 2.19 8.10 -1.94 -2.53 115.31 120.41 3kru h LEU 4 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.09 3kru h LEU 4 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 3kru h LEU 4 CO -0.00 0.00 -0.00 1.41 -4.11 0.00 0.00 178.44 175.74 3kru n HIS 5 N -2.36 0.00 -2.50 0.17 8.25 -0.13 -0.84 115.22 117.81 3kru n HIS 5 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3kru n HIS 5 Cb 0.24 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 3kru n HIS 5 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3kru s MET 6 N -2.01 4.47 0.80 -0.41 -1.94 -0.96 -4.57 119.30 114.69 3kru s MET 6 Ca 0.40 1.68 -0.11 0.00 -1.71 0.00 0.00 55.69 55.95 3kru s MET 6 Cb 0.21 -3.37 0.08 0.00 2.01 0.00 0.00 34.83 33.76 3kru s MET 6 CO 0.35 -0.19 1.12 -2.14 -0.01 0.00 0.00 175.02 174.15 3kru s PRO 7 N 0.98 1.92 -0.15 2.03 0.02 -1.24 -3.82 135.00 134.74 3kru s PRO 7 Ca 0.57 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 3kru s PRO 7 Cb -0.27 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.44 3kru s PRO 7 CO 0.29 -1.92 -0.01 -1.17 -0.33 0.00 0.00 177.00 173.86 3kru s LEU 8 N -5.97 1.17 -0.21 -5.54 2.96 0.06 -4.93 118.68 106.21 3kru s LEU 8 Ca 0.64 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3kru s LEU 8 Cb -0.20 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 3kru s LEU 8 CO 0.54 -0.23 0.14 -0.75 -1.32 0.00 0.00 176.35 174.74 3kru s LYS 9 N 1.81 4.15 -0.16 1.98 2.20 -1.26 -0.63 119.74 127.82 3kru s LYS 9 Ca 0.02 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3kru s LYS 9 Cb -0.15 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3kru s LYS 9 CO -0.07 0.21 -0.08 0.42 -0.36 0.00 0.00 175.35 175.47 3kru s ILE 10 N 0.63 1.27 0.00 5.43 1.01 0.30 -4.99 121.20 124.84 3kru s ILE 10 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3kru s ILE 10 Cb -0.12 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3kru s ILE 10 CO 0.01 0.24 0.00 0.29 0.00 0.00 0.00 174.94 175.47 3kru n LYS 11 N 4.84 0.00 -0.12 2.79 5.02 -1.26 -1.50 118.16 127.92 3kru n LYS 11 Ca -0.13 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3kru n LYS 11 Cb 0.48 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.79 3kru n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kru n ASP 12 N 3.67 1.86 -4.52 4.39 9.92 -0.58 -4.88 116.55 126.41 3kru n ASP 12 Ca 0.00 -1.82 -0.35 0.00 -0.53 0.00 0.00 54.79 52.09 3kru n ASP 12 Cb 0.00 -0.16 -0.12 0.00 -0.64 0.00 0.00 41.12 40.20 3kru n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kru s ILE 13 N -1.68 4.28 -0.27 0.53 -1.09 -0.56 -5.07 121.20 117.34 3kru s ILE 13 Ca 0.30 -0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.44 3kru s ILE 13 Cb 0.16 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 3kru s ILE 13 CO 0.23 0.43 0.08 -0.89 -1.23 0.00 0.00 174.94 173.56 3kru s THR 14 N 0.81 4.21 -0.13 2.92 2.01 -1.26 -0.54 115.64 123.66 3kru s THR 14 Ca 0.02 -0.36 -0.20 0.00 0.31 0.00 0.00 61.69 61.46 3kru s THR 14 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3kru s THR 14 CO 0.02 0.24 0.56 -0.63 -0.69 0.00 0.00 174.62 174.12 3kru s ILE 15 N 1.58 5.12 -0.49 1.82 1.01 0.19 -4.89 121.20 125.54 3kru s ILE 15 Ca 0.05 1.10 0.26 0.00 0.00 0.00 0.00 60.65 62.06 3kru s ILE 15 Cb -0.16 -3.89 0.29 0.00 0.01 0.00 0.00 42.46 38.71 3kru s ILE 15 CO 0.03 0.26 1.76 0.07 0.00 0.00 0.00 174.94 177.06 3kru h LYS 16 N 6.92 0.00 0.00 2.79 2.10 -1.86 0.19 116.57 126.72 3kru h LYS 16 Ca -0.39 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.09 3kru h LYS 16 Cb 1.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 3kru h LYS 16 CO 0.76 0.00 0.03 0.27 -2.00 0.00 0.00 179.45 178.51 3kru n ASN 17 N -2.46 -1.69 -1.60 7.07 0.23 -1.26 -3.73 115.26 111.82 3kru n ASN 17 Ca 0.03 -2.69 0.09 0.00 -0.53 0.00 0.00 54.58 51.48 3kru n ASN 17 Cb 0.35 2.96 0.36 0.00 -2.08 0.00 0.00 39.78 41.37 3kru n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kru n ARG 18 N -0.54 3.75 -3.65 -3.83 5.12 -0.02 -4.62 116.66 112.87 3kru n ARG 18 Ca -0.03 -2.84 -0.37 0.00 -1.93 0.00 0.00 57.85 52.68 3kru n ARG 18 Cb 0.57 -1.91 -0.11 0.00 -1.16 0.00 0.00 32.46 29.85 3kru n ARG 18 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kru s ILE 19 N -1.88 5.19 -0.11 0.55 -1.09 -1.26 -0.80 121.20 121.80 3kru s ILE 19 Ca 0.51 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 59.03 3kru s ILE 19 Cb 0.33 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3kru s ILE 19 CO 0.24 0.30 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.91 3kru s MET 20 N 1.43 3.21 -0.39 2.79 -2.45 -0.39 -1.84 119.30 121.67 3kru s MET 20 Ca 0.07 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 53.74 3kru s MET 20 Cb -0.15 -2.81 0.02 0.00 1.25 0.00 0.00 34.83 33.14 3kru s MET 20 CO 0.07 0.52 1.17 1.41 1.05 0.00 0.00 175.02 179.24 3kru s MET 21 N -0.38 3.86 0.43 4.11 1.75 0.21 -1.00 119.30 128.28 3kru s MET 21 Ca 0.07 0.90 -0.26 0.00 -1.25 0.00 0.00 55.69 55.14 3kru s MET 21 Cb -0.12 -3.86 -0.09 0.00 2.84 0.00 0.00 34.83 33.60 3kru s MET 21 CO 0.02 -1.19 1.43 0.45 -0.65 0.00 0.00 175.02 175.09 3kru s SER 22 N 2.38 6.04 0.06 1.11 0.15 -0.11 -1.86 113.70 121.47 3kru s SER 22 Ca 0.50 2.94 -0.30 0.00 0.70 0.00 0.00 55.95 59.78 3kru s SER 22 Cb -0.11 -2.66 -0.09 0.00 -1.71 0.00 0.00 66.02 61.46 3kru s SER 22 CO 0.25 -1.07 1.78 -2.16 1.20 0.00 0.00 173.24 173.24 3kru s PRO 23 N -2.33 4.16 -0.11 5.44 0.04 -1.24 -4.81 135.00 136.16 3kru s PRO 23 Ca 0.58 2.45 -0.02 0.00 0.04 0.00 0.00 61.00 64.05 3kru s PRO 23 Cb -0.44 -3.80 0.04 0.00 0.04 0.00 0.00 34.50 30.34 3kru s PRO 23 CO 0.58 -0.84 0.02 -1.64 0.04 0.00 0.00 177.00 175.16 3kru s MET 24 N 3.34 0.58 0.25 4.56 -1.94 -1.26 -4.83 119.30 120.00 3kru s MET 24 Ca 0.79 -0.05 -0.31 0.00 -1.71 0.00 0.00 55.69 54.42 3kru s MET 24 Cb -0.41 -1.34 -0.13 0.00 2.01 0.00 0.00 34.83 34.96 3kru s MET 24 CO 0.35 -0.42 1.41 0.00 -0.01 0.00 0.00 175.02 176.35 3kru n MET 26 N 1.90 3.01 -3.89 0.00 2.81 -1.26 -5.01 117.12 114.67 3kru n MET 26 Ca 0.11 -0.08 -0.31 0.00 -1.81 0.00 0.00 57.70 55.61 3kru n MET 26 Cb 0.32 -1.06 0.01 0.00 -0.71 0.00 0.00 33.22 31.78 3kru n MET 26 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3kru n TYR 27 N -1.15 -2.05 -0.10 2.03 4.01 -1.26 -4.84 117.16 113.81 3kru n TYR 27 Ca 0.03 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.56 3kru n TYR 27 Cb 0.19 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 3kru n TYR 27 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kru n SER 28 N -2.68 1.17 -4.89 7.72 7.64 -1.04 -4.86 113.62 116.68 3kru n SER 28 Ca 0.04 -1.27 -0.29 0.00 1.01 0.00 0.00 58.87 58.36 3kru n SER 28 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 3kru n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kru s ALA 29 N -0.27 2.93 1.00 -0.43 0.00 -0.30 -4.80 121.76 119.89 3kru s ALA 29 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3kru s ALA 29 Cb 0.00 -2.94 0.19 0.00 0.00 0.00 0.00 23.12 20.37 3kru s ALA 29 CO 0.00 -1.18 1.09 -1.54 0.00 0.00 0.00 175.76 174.13 3kru s SER 30 N -4.39 2.56 0.19 0.00 1.04 -1.10 -4.43 113.70 107.57 3kru s SER 30 Ca 0.58 1.27 0.19 0.00 0.48 0.00 0.00 55.95 58.47 3kru s SER 30 Cb -0.11 -1.95 0.85 0.00 0.10 0.00 0.00 66.02 64.91 3kru s SER 30 CO 0.50 -3.18 1.58 0.35 0.98 0.00 0.00 173.24 173.47 3kru n THR 31 N -4.22 1.02 1.21 2.02 -2.24 -1.21 -1.14 114.28 109.72 3kru n THR 31 Ca 0.05 0.36 0.09 0.00 -2.27 0.00 0.00 64.05 62.28 3kru n THR 31 Cb 0.57 -1.28 0.31 0.00 -2.10 0.00 0.00 70.33 67.83 3kru n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kru n ASP 32 N -2.01 1.54 -0.65 3.42 8.00 -1.26 -4.93 116.55 120.65 3kru n ASP 32 Ca 0.01 -1.78 -0.09 0.00 0.71 0.00 0.00 54.79 53.65 3kru n ASP 32 Cb 0.16 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3kru n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kru n GLY 33 N 1.06 1.03 3.79 0.44 0.00 -0.29 -4.83 105.19 106.40 3kru n GLY 33 Ca 0.14 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3kru n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kru s MET 34 N -2.65 4.40 0.80 1.61 -1.94 -1.26 -1.50 119.30 118.77 3kru s MET 34 Ca 0.00 0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 54.84 3kru s MET 34 Cb 0.00 -3.24 0.07 0.00 2.01 0.00 0.00 34.83 33.67 3kru s MET 34 CO 0.00 0.60 1.11 -1.25 -0.01 0.00 0.00 175.02 175.46 3kru s PRO 35 N -1.16 2.04 0.07 2.03 0.04 -1.26 -2.72 135.00 134.05 3kru s PRO 35 Ca 0.33 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.93 3kru s PRO 35 Cb -0.21 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 3kru s PRO 35 CO 0.23 -1.63 0.07 0.27 0.04 0.00 0.00 177.00 175.98 3kru n ASN 36 N -3.42 -0.19 0.30 6.66 0.23 -1.26 -4.94 115.26 112.64 3kru n ASN 36 Ca 0.07 -1.47 0.16 0.00 -0.53 0.00 0.00 54.58 52.82 3kru n ASN 36 Cb 0.57 0.41 0.96 0.00 -2.08 0.00 0.00 39.78 39.64 3kru n ASN 36 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kru h ASP 37 N 0.45 0.00 0.23 0.53 3.32 -1.98 -1.99 116.42 116.98 3kru h ASP 37 Ca -0.05 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3kru h ASP 37 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3kru h ASP 37 CO 0.08 0.01 -0.37 -0.25 -1.72 0.00 0.00 179.24 176.98 3kru h TRP 38 N 0.00 -1.03 -0.62 4.55 2.91 -1.96 -2.21 115.95 117.59 3kru h TRP 38 Ca -0.00 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.07 3kru h TRP 38 Cb 0.02 0.42 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 3kru h TRP 38 CO 0.00 -0.50 0.37 0.45 -1.03 0.00 0.00 178.44 177.74 3kru h HIS 39 N -0.67 0.70 -0.23 2.65 -0.00 -1.75 0.05 115.15 115.90 3kru h HIS 39 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3kru h HIS 39 Cb 0.66 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 3kru h HIS 39 CO -0.28 0.39 0.14 0.82 -0.00 0.00 0.00 177.93 179.00 3kru h ILE 40 N 0.73 1.09 -0.38 2.45 2.04 -1.33 -1.19 117.51 120.91 3kru h ILE 40 Ca 0.25 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3kru h ILE 40 Cb 0.05 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3kru h ILE 40 CO -0.11 0.08 0.07 0.58 0.00 0.00 0.00 178.15 178.77 3kru h VAL 41 N 0.29 1.24 -0.27 1.67 2.07 -1.24 -1.20 116.25 118.81 3kru h VAL 41 Ca 0.08 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3kru h VAL 41 Cb 0.01 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3kru h VAL 41 CO -0.02 0.29 -0.16 -0.74 0.02 0.00 0.00 177.57 176.96 3kru h HIS 42 N 0.48 -0.39 -0.05 1.57 -0.00 -0.62 -0.34 115.15 115.80 3kru h HIS 42 Ca 0.12 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.27 3kru h HIS 42 Cb 0.35 0.21 0.02 0.00 -0.00 0.00 0.00 27.41 27.99 3kru h HIS 42 CO 0.02 -0.23 -0.96 1.88 -0.00 0.00 0.00 177.93 178.65 3kru h TYR 43 N -0.13 1.07 -0.87 5.26 0.05 -1.23 -3.25 116.97 117.87 3kru h TYR 43 Ca 0.14 -0.54 0.02 0.00 0.05 0.00 0.00 58.73 58.40 3kru h TYR 43 Cb 0.35 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 3kru h TYR 43 CO -0.34 1.38 0.57 0.00 -1.05 0.00 0.00 178.16 178.72 3kru h ALA 44 N 0.45 1.42 -0.80 3.88 0.00 -1.00 -2.01 119.26 121.20 3kru h ALA 44 Ca -0.10 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kru h ALA 44 Cb 1.60 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3kru h ALA 44 CO 0.19 0.51 0.44 1.15 0.00 0.00 0.00 179.25 181.54 3kru h THR 45 N 1.13 0.87 0.00 0.00 2.02 -1.09 -0.30 112.91 115.54 3kru h THR 45 Ca 0.33 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 3kru h THR 45 Cb -0.05 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3kru h THR 45 CO -0.09 0.13 -0.39 0.03 0.37 0.00 0.00 175.52 175.58 3kru h ARG 46 N 0.72 0.00 0.08 6.66 -0.00 -1.45 0.33 114.38 120.71 3kru h ARG 46 Ca 0.39 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.87 3kru h ARG 46 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.37 3kru h ARG 46 CO -0.27 0.39 -0.04 0.00 0.00 0.00 0.00 179.97 180.06 3kru h ALA 47 N 1.61 -0.10 -0.30 0.04 0.00 -0.90 -2.16 119.26 117.45 3kru h ALA 47 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kru h ALA 47 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3kru h ALA 47 CO 0.05 -0.40 0.14 0.82 0.00 0.00 0.00 179.25 179.86 3kru h ILE 48 N -0.41 1.11 0.00 0.00 2.04 -0.99 -0.61 117.51 118.65 3kru h ILE 48 Ca -0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3kru h ILE 48 Cb 0.35 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3kru h ILE 48 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.90 3kru n GLY 49 N -1.33 -0.58 0.70 5.37 0.00 0.09 -4.80 105.19 104.64 3kru n GLY 49 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kru n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 50 N -0.11 0.80 3.75 -0.02 0.00 -0.24 -2.82 105.19 106.54 3kru n GLY 50 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kru n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kru s VAL 51 N -2.16 2.22 0.01 1.61 1.01 -0.85 -4.91 120.40 117.33 3kru s VAL 51 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3kru s VAL 51 Cb 0.00 -3.12 -0.18 0.00 0.00 0.00 0.00 36.38 33.08 3kru s VAL 51 CO 0.00 0.03 1.28 1.23 0.00 0.00 0.00 175.10 177.64 3kru h GLY 52 N 4.70 0.23 -7.08 4.51 0.00 -1.65 -3.41 103.07 100.37 3kru h GLY 52 Ca -0.47 -0.25 -0.50 0.00 0.00 0.00 0.00 47.33 46.11 3kru h GLY 52 CO 0.77 0.22 -0.78 -2.27 0.00 0.00 0.00 176.54 174.49 3kru s LEU 53 N -9.08 1.11 -0.38 3.11 0.20 -0.95 -1.25 118.68 111.45 3kru s LEU 53 Ca -0.15 -0.50 -0.18 0.00 0.69 0.00 0.00 54.13 53.99 3kru s LEU 53 Cb 0.03 -0.65 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 3kru s LEU 53 CO 0.72 -0.22 0.49 -0.63 -0.29 0.00 0.00 176.35 176.42 3kru s ILE 54 N 1.82 5.03 -0.42 6.68 1.01 0.09 -0.62 121.20 134.80 3kru s ILE 54 Ca 0.02 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 3kru s ILE 54 Cb -0.15 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.36 3kru s ILE 54 CO -0.07 -0.29 0.52 -0.32 0.00 0.00 0.00 174.94 174.78 3kru s MET 55 N 2.32 3.21 0.47 2.79 1.75 -0.78 -0.40 119.30 128.67 3kru s MET 55 Ca 0.16 -0.57 -0.24 0.00 -1.25 0.00 0.00 55.69 53.79 3kru s MET 55 Cb -0.16 -3.95 -0.08 0.00 2.84 0.00 0.00 34.83 33.49 3kru s MET 55 CO 0.14 -0.89 1.41 0.94 -0.65 0.00 0.00 175.02 175.97 3kru n GLN 56 N 5.86 2.11 -1.03 4.11 7.27 -0.33 -3.66 117.38 131.71 3kru n GLN 56 Ca -0.05 0.76 -0.35 0.00 0.07 0.00 0.00 57.00 57.43 3kru n GLN 56 Cb 0.48 -2.61 0.08 0.00 2.41 0.00 0.00 30.24 30.59 3kru n GLN 56 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3kru n GLU 57 N -0.39 -0.01 -1.53 3.69 0.28 -1.26 -2.69 120.64 118.72 3kru n GLU 57 Ca 0.06 0.03 -0.64 0.00 -0.16 0.00 0.00 57.16 56.45 3kru n GLU 57 Cb 0.42 -1.58 -0.11 0.00 1.43 0.00 0.00 31.44 31.60 3kru n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kru n ALA 58 N -2.79 -0.61 -3.78 -1.84 0.00 -1.26 -4.27 120.51 105.95 3kru n ALA 58 Ca 0.06 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 3kru n ALA 58 Cb 0.52 -2.01 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 3kru n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kru s THR 59 N 4.35 2.75 0.18 0.00 2.01 0.51 -4.36 115.64 121.08 3kru s THR 59 Ca 1.11 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3kru s THR 59 Cb -1.47 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 3kru s THR 59 CO 0.74 0.16 1.32 0.00 -0.69 0.00 0.00 174.62 176.15 3kru s ALA 60 N 1.29 3.53 -0.90 7.40 0.00 -0.38 -1.37 121.76 131.34 3kru s ALA 60 Ca -0.01 1.09 0.28 0.00 0.00 0.00 0.00 51.96 53.32 3kru s ALA 60 Cb -0.17 -3.49 1.07 0.00 0.00 0.00 0.00 23.12 20.53 3kru s ALA 60 CO -0.05 -0.54 1.87 1.33 0.00 0.00 0.00 175.76 178.37 3kru n VAL 61 N 2.93 0.23 -3.56 0.00 0.24 -0.43 -1.26 118.33 116.49 3kru n VAL 61 Ca 0.07 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 3kru n VAL 61 Cb 0.43 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.25 3kru n VAL 61 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3kru s GLU 62 N -3.04 1.38 0.27 7.34 -1.05 -1.26 -4.42 118.70 117.92 3kru s GLU 62 Ca 0.13 -0.63 -0.00 0.00 -0.15 0.00 0.00 54.97 54.31 3kru s GLU 62 Cb 0.16 0.58 0.38 0.00 -0.44 0.00 0.00 34.13 34.82 3kru s GLU 62 CO 0.56 -0.61 1.76 0.66 0.95 0.00 0.00 175.26 178.58 3kru h SER 63 N 2.04 0.66 0.42 0.83 4.64 -2.00 -0.98 113.55 119.17 3kru h SER 63 Ca -0.30 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kru h SER 63 Cb 1.29 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kru h SER 63 CO 0.35 0.77 0.00 -2.11 -0.87 0.00 0.00 176.83 174.98 3kru n ARG 64 N -4.20 0.22 0.00 4.77 1.85 -1.26 -2.18 116.66 115.86 3kru n ARG 64 Ca 0.02 0.12 0.13 0.00 -1.00 0.00 0.00 57.85 57.11 3kru n ARG 64 Cb 0.32 -1.50 0.38 0.00 -1.05 0.00 0.00 32.46 30.62 3kru n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kru n GLY 65 N 0.37 0.06 3.77 2.89 0.00 -0.37 -4.57 105.19 107.34 3kru n GLY 65 Ca 0.08 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3kru n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kru s ARG 66 N -2.14 3.04 -0.13 1.61 0.52 -0.93 -0.27 118.95 120.65 3kru s ARG 66 Ca 0.32 1.44 -0.28 0.00 -0.52 0.00 0.00 55.73 56.69 3kru s ARG 66 Cb 0.20 -1.98 -0.26 0.00 0.52 0.00 0.00 34.95 33.43 3kru s ARG 66 CO 0.38 -1.07 0.77 0.82 0.02 0.00 0.00 175.30 176.22 3kru h ILE 67 N 0.46 1.75 -2.95 1.52 2.04 -1.90 -3.39 117.51 115.04 3kru h ILE 67 Ca -0.48 -2.37 -0.44 0.00 1.00 0.00 0.00 64.86 62.57 3kru h ILE 67 Cb 1.25 3.35 -0.14 0.00 -0.74 0.00 0.00 36.82 40.54 3kru h ILE 67 CO 0.55 0.62 -0.65 0.42 0.00 0.00 0.00 178.15 179.09 3kru s THR 68 N -2.25 1.30 -0.86 -0.27 -4.23 -1.26 -0.10 115.64 107.98 3kru s THR 68 Ca -0.19 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 58.31 3kru s THR 68 Cb -0.02 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.59 3kru s THR 68 CO 0.70 -0.24 0.94 -0.90 -0.54 0.00 0.00 174.62 174.59 3kru n ASP 69 N -0.55 2.47 -0.32 3.99 5.68 -1.26 -2.50 116.55 124.07 3kru n ASP 69 Ca -0.05 -2.28 0.08 0.00 -0.50 0.00 0.00 54.79 52.04 3kru n ASP 69 Cb 0.64 -0.53 0.17 0.00 -1.14 0.00 0.00 41.12 40.27 3kru n ASP 69 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3kru n HIS 70 N 0.21 0.00 -3.14 2.11 8.25 -1.26 -3.30 115.22 118.09 3kru n HIS 70 Ca 0.09 -1.23 -0.31 0.00 -0.26 0.00 0.00 57.72 56.01 3kru n HIS 70 Cb 0.54 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 3kru n HIS 70 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kru s ASP 71 N -3.05 6.57 0.50 0.41 1.11 -1.04 -1.15 116.67 120.03 3kru s ASP 71 Ca 0.35 1.02 -0.22 0.00 0.18 0.00 0.00 52.55 53.88 3kru s ASP 71 Cb 0.32 -2.27 -0.06 0.00 1.07 0.00 0.00 42.92 41.98 3kru s ASP 71 CO -0.02 -0.25 1.19 -0.76 1.18 0.00 0.00 175.17 176.52 3kru s LEU 72 N -3.40 3.90 0.18 1.23 1.43 -1.26 -4.19 118.68 116.56 3kru s LEU 72 Ca 0.49 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 56.02 3kru s LEU 72 Cb -0.11 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 3kru s LEU 72 CO 0.26 -1.15 -0.13 -0.83 0.23 0.00 0.00 176.35 174.73 3kru s GLY 73 N -1.40 1.28 -0.30 -3.19 0.00 -0.56 -1.25 107.32 101.91 3kru s GLY 73 Ca 0.68 -1.57 0.20 0.00 0.00 0.00 0.00 44.72 44.03 3kru s GLY 73 CO 0.35 -1.66 1.01 4.51 0.00 0.00 0.00 173.10 177.31 3kru n ILE 74 N -0.22 1.08 1.10 0.90 3.06 -0.39 -4.81 119.36 120.08 3kru n ILE 74 Ca -0.09 -2.99 0.13 0.00 -2.50 0.00 0.00 62.75 57.29 3kru n ILE 74 Cb 0.60 0.89 0.26 0.00 0.54 0.00 0.00 39.64 41.93 3kru n ILE 74 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3kru n TRP 75 N -0.25 0.06 -4.06 9.51 2.14 -1.26 -4.52 117.44 119.06 3kru n TRP 75 Ca 0.08 -0.03 -0.11 0.00 2.07 0.00 0.00 57.50 59.52 3kru n TRP 75 Cb 0.81 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.25 3kru n TRP 75 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 3kru s ASN 76 N -1.93 0.13 0.24 -0.67 2.20 -1.26 -5.05 114.94 108.60 3kru s ASN 76 Ca 0.32 -1.13 0.06 0.00 -0.94 0.00 0.00 52.86 51.17 3kru s ASN 76 Cb 0.20 0.55 0.24 0.00 -2.00 0.00 0.00 41.25 40.24 3kru s ASN 76 CO 0.31 -1.09 1.55 0.44 -2.94 0.00 0.00 177.10 175.36 3kru h ASP 77 N 2.32 0.18 -0.89 3.54 3.32 -2.00 -3.09 116.42 119.81 3kru h ASP 77 Ca -0.29 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.66 3kru h ASP 77 Cb 1.25 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 3kru h ASP 77 CO 0.40 0.78 0.58 -0.08 -1.72 0.00 0.00 179.24 179.21 3kru h GLU 78 N 0.11 1.14 -0.66 3.56 4.81 -2.00 -1.80 114.58 119.74 3kru h GLU 78 Ca -0.01 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3kru h GLU 78 Cb 1.17 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 3kru h GLU 78 CO 0.10 0.75 0.17 1.96 -0.73 0.00 0.00 179.01 181.26 3kru h GLN 79 N 1.17 1.04 -0.66 1.92 4.20 -1.87 -2.88 115.11 118.04 3kru h GLN 79 Ca 0.33 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3kru h GLN 79 Cb -0.09 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 3kru h GLN 79 CO -0.09 0.93 0.38 0.28 -0.67 0.00 0.00 178.83 179.67 3kru h VAL 80 N 0.97 1.01 -0.81 -0.54 2.07 -1.36 0.51 116.25 118.10 3kru h VAL 80 Ca 0.21 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kru h VAL 80 Cb 0.35 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3kru h VAL 80 CO 0.00 0.13 0.43 0.50 0.02 0.00 0.00 177.57 178.65 3kru h LYS 81 N 0.72 1.13 0.24 1.57 3.11 -1.14 -0.83 116.57 121.38 3kru h LYS 81 Ca 0.28 -0.13 -0.33 0.00 -2.81 0.00 0.00 60.65 57.65 3kru h LYS 81 Cb 0.12 -0.22 0.03 0.00 -1.00 0.00 0.00 32.23 31.17 3kru h LYS 81 CO -0.15 0.84 -1.48 0.93 -2.81 0.00 0.00 179.45 176.77 3kru h GLU 82 N 1.13 0.51 -0.34 1.90 4.39 -1.32 -3.30 114.58 117.55 3kru h GLU 82 Ca 0.28 -0.87 -0.01 0.00 0.34 0.00 0.00 59.36 59.11 3kru h GLU 82 Cb 0.05 0.32 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3kru h GLU 82 CO -0.04 1.41 0.17 -0.07 -1.16 0.00 0.00 179.01 179.32 3kru h LEU 83 N 0.14 0.41 -1.80 1.33 3.38 -0.64 -2.19 115.31 115.94 3kru h LEU 83 Ca -0.25 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.84 3kru h LEU 83 Cb 2.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.77 3kru h LEU 83 CO 0.26 0.34 0.43 0.50 0.09 0.00 0.00 178.44 180.07 3kru h LYS 84 N 0.46 0.20 -0.63 1.13 3.64 -1.23 -0.88 116.57 119.26 3kru h LYS 84 Ca 0.12 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3kru h LYS 84 Cb 0.04 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3kru h LYS 84 CO -0.02 0.13 0.17 0.87 -2.27 0.00 0.00 179.45 178.33 3kru h LYS 85 N 0.20 0.97 0.12 1.90 1.57 -1.53 0.67 116.57 120.47 3kru h LYS 85 Ca 0.30 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3kru h LYS 85 Cb 0.90 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3kru h LYS 85 CO -0.05 0.85 -0.06 0.82 -0.57 0.00 0.00 179.45 180.44 3kru h ILE 86 N 0.93 1.02 -0.22 1.86 2.04 -1.28 -2.68 117.51 119.18 3kru h ILE 86 Ca 0.20 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3kru h ILE 86 Cb 0.31 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3kru h ILE 86 CO -0.00 0.13 -0.10 0.58 0.00 0.00 0.00 178.15 178.76 3kru h VAL 87 N -0.42 0.69 -0.49 1.67 2.07 -1.18 -1.88 116.25 116.70 3kru h VAL 87 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kru h VAL 87 Cb 0.34 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3kru h VAL 87 CO 0.03 0.00 0.28 0.44 0.02 0.00 0.00 177.57 178.34 3kru h ASP 88 N -0.06 0.61 0.09 0.57 3.32 -0.88 -0.88 116.42 119.19 3kru h ASP 88 Ca 0.12 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3kru h ASP 88 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3kru h ASP 88 CO -0.26 0.51 -0.50 -0.29 -1.72 0.00 0.00 179.24 176.98 3kru h ILE 89 N 0.66 1.32 -0.30 0.35 2.10 -1.33 -0.49 117.51 119.82 3kru h ILE 89 Ca 0.18 -1.73 -0.09 0.00 1.08 0.00 0.00 64.86 64.30 3kru h ILE 89 Cb 0.03 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 3kru h ILE 89 CO -0.03 0.53 -0.16 0.00 -1.08 0.00 0.00 178.15 177.41 3kru h LYS 91 N 0.39 0.91 0.00 0.00 1.57 -1.12 -2.28 116.57 116.04 3kru h LYS 91 Ca 0.06 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3kru h LYS 91 Cb 0.69 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kru h LYS 91 CO 0.05 0.91 -0.07 0.00 -0.57 0.00 0.00 179.45 179.77 3kru h ALA 92 N 1.14 1.62 -0.65 3.86 0.00 -0.97 -2.07 119.26 122.18 3kru h ALA 92 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kru h ALA 92 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kru h ALA 92 CO 0.03 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3kru n ASN 93 N -4.07 4.88 0.00 0.00 3.02 -0.92 -4.95 115.26 113.22 3kru n ASN 93 Ca -0.03 -2.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.04 3kru n ASN 93 Cb 0.15 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3kru n ASN 93 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kru n GLY 94 N 1.13 0.71 3.89 7.41 0.00 -0.78 -4.43 105.19 113.13 3kru n GLY 94 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3kru n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kru s ALA 95 N -2.00 3.73 0.10 4.61 0.00 -0.91 -4.87 121.76 122.43 3kru s ALA 95 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3kru s ALA 95 Cb 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 3kru s ALA 95 CO 0.00 0.62 0.94 0.08 0.00 0.00 0.00 175.76 177.40 3kru s VAL 96 N -1.66 4.53 -0.24 0.00 1.01 -0.38 -3.92 120.40 119.74 3kru s VAL 96 Ca 0.41 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 64.35 3kru s VAL 96 Cb -0.12 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3kru s VAL 96 CO 0.23 0.32 0.05 -0.32 0.00 0.00 0.00 175.10 175.38 3kru s MET 97 N 0.02 3.63 0.25 2.72 1.75 -1.26 -0.73 119.30 125.68 3kru s MET 97 Ca 0.46 -0.49 0.09 0.00 -1.25 0.00 0.00 55.69 54.50 3kru s MET 97 Cb -0.23 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 3kru s MET 97 CO 0.29 -0.16 0.04 0.20 -0.65 0.00 0.00 175.02 174.73 3kru s GLY 98 N 1.53 1.61 -0.06 2.11 0.00 0.46 -0.24 107.32 112.73 3kru s GLY 98 Ca 0.06 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.24 3kru s GLY 98 CO 0.03 -1.63 -0.15 -1.50 0.00 0.00 0.00 173.10 169.85 3kru s ILE 99 N -2.22 1.32 -0.47 0.90 2.07 -0.51 -1.19 121.20 121.11 3kru s ILE 99 Ca 0.31 -0.62 -0.20 0.00 -1.41 0.00 0.00 60.65 58.73 3kru s ILE 99 Cb -0.07 -1.16 0.04 0.00 0.13 0.00 0.00 42.46 41.39 3kru s ILE 99 CO 0.21 0.39 0.66 -1.58 -1.91 0.00 0.00 174.94 172.71 3kru s GLN 100 N 0.34 3.23 -0.11 3.50 0.74 -1.10 -0.77 119.66 125.49 3kru s GLN 100 Ca -0.10 -0.53 -0.28 0.00 0.05 0.00 0.00 55.36 54.50 3kru s GLN 100 Cb -0.14 -4.01 -0.02 0.00 1.10 0.00 0.00 33.01 29.95 3kru s GLN 100 CO 0.03 -1.12 0.93 -0.51 -0.55 0.00 0.00 175.29 174.07 3kru s LEU 101 N 2.86 4.24 0.11 3.68 1.43 0.69 -0.37 118.68 131.33 3kru s LEU 101 Ca 0.21 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 3kru s LEU 101 Cb -0.16 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3kru s LEU 101 CO 0.17 -0.39 -0.09 0.00 0.23 0.00 0.00 176.35 176.27 3kru s ALA 102 N 1.86 1.14 -0.17 4.21 0.00 -0.47 -1.45 121.76 126.87 3kru s ALA 102 Ca 0.45 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 3kru s ALA 102 Cb -0.18 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.10 3kru s ALA 102 CO 0.17 -0.11 0.30 -1.58 0.00 0.00 0.00 175.76 174.54 3kru s HIS 103 N -3.00 -0.54 -0.06 0.00 2.46 -1.26 -1.31 115.29 111.58 3kru s HIS 103 Ca 0.10 0.95 0.31 0.00 0.47 0.00 0.00 55.06 56.89 3kru s HIS 103 Cb 0.01 -0.01 1.14 0.00 -0.13 0.00 0.00 32.58 33.59 3kru s HIS 103 CO -0.01 -0.47 1.89 0.00 -2.47 0.00 0.00 174.74 173.68 3kru h ALA 104 N 8.25 1.00 -0.56 1.58 0.00 -0.88 -0.54 119.26 128.11 3kru h ALA 104 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kru h ALA 104 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kru h ALA 104 CO 0.17 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3kru n GLY 105 N 0.26 3.20 0.06 0.00 0.00 -1.26 -1.35 105.19 106.09 3kru n GLY 105 Ca 0.01 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3kru n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kru n ARG 106 N 14.00 0.10 -0.39 1.61 1.85 -0.80 -1.80 116.66 131.23 3kru n ARG 106 Ca 0.00 0.30 0.07 0.00 -1.00 0.00 0.00 57.85 57.23 3kru n ARG 106 Cb 0.00 -1.68 0.25 0.00 -1.05 0.00 0.00 32.46 29.98 3kru n ARG 106 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kru n LYS 107 N -1.86 2.71 -1.70 2.89 5.02 -0.46 -4.63 118.16 120.14 3kru n LYS 107 Ca 0.03 -1.97 -0.42 0.00 -2.02 0.00 0.00 58.31 53.93 3kru n LYS 107 Cb 0.22 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3kru n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kru n ASN 109 N 6.70 3.46 -4.57 0.00 5.15 0.86 -4.78 115.26 122.08 3kru n ASN 109 Ca 0.19 -3.50 -0.39 0.00 -0.60 0.00 0.00 54.58 50.28 3kru n ASN 109 Cb 0.40 -0.68 -0.11 0.00 -0.53 0.00 0.00 39.78 38.86 3kru n ASN 109 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kru s ILE 110 N -3.14 5.29 0.53 -1.44 1.01 -1.25 -4.89 121.20 117.33 3kru s ILE 110 Ca 0.49 0.04 0.20 0.00 0.00 0.00 0.00 60.65 61.38 3kru s ILE 110 Cb 0.42 -3.58 0.32 0.00 0.01 0.00 0.00 42.46 39.62 3kru s ILE 110 CO 0.06 0.17 2.12 0.77 0.00 0.00 0.00 174.94 178.06 3kru h SER 111 N 8.41 0.00 -0.04 3.58 4.64 -1.97 -2.59 113.55 125.58 3kru h SER 111 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3kru h SER 111 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kru h SER 111 CO 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 3kru n TYR 112 N -4.38 0.02 -2.10 4.77 0.18 -1.26 -4.99 117.16 109.40 3kru n TYR 112 Ca 0.00 -0.01 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 3kru n TYR 112 Cb 0.23 -0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.22 3kru n TYR 112 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3kru s GLU 113 N -1.69 3.07 -1.06 -3.48 0.41 -0.98 -5.00 118.70 109.98 3kru s GLU 113 Ca 0.24 0.36 -0.19 0.00 -0.41 0.00 0.00 54.97 54.97 3kru s GLU 113 Cb 0.17 -2.14 0.11 0.00 -1.78 0.00 0.00 34.13 30.50 3kru s GLU 113 CO 0.26 -0.78 1.35 0.34 -0.49 0.00 0.00 175.26 175.94 3kru s ASP 114 N -4.29 6.72 -0.07 -0.19 2.15 -1.26 -5.00 116.67 114.73 3kru s ASP 114 Ca 0.55 -2.15 -0.30 0.00 0.43 0.00 0.00 52.55 51.09 3kru s ASP 114 Cb -0.11 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 3kru s ASP 114 CO 0.50 -1.12 1.15 -0.69 -0.17 0.00 0.00 175.17 174.83 3kru s VAL 115 N 3.23 4.39 0.17 1.11 1.01 -1.26 -4.84 120.40 124.21 3kru s VAL 115 Ca 0.41 1.70 0.08 0.00 0.00 0.00 0.00 61.98 64.17 3kru s VAL 115 Cb -0.02 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3kru s VAL 115 CO -0.05 -0.01 -0.17 0.68 0.00 0.00 0.00 175.10 175.55 3kru s VAL 116 N 2.23 1.76 0.37 2.92 -7.23 -1.26 -1.48 120.40 117.70 3kru s VAL 116 Ca 0.54 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 3kru s VAL 116 Cb -0.23 -1.86 0.06 0.00 0.56 0.00 0.00 36.38 34.91 3kru s VAL 116 CO 0.20 -0.39 0.84 -0.83 -0.31 0.00 0.00 175.10 174.61 3kru s GLY 117 N -2.81 0.38 0.19 2.32 0.00 -0.75 -1.91 107.32 104.74 3kru s GLY 117 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 3kru s GLY 117 CO 0.06 0.13 1.47 -0.56 0.00 0.00 0.00 173.10 174.20 3kru h PRO 118 N 2.00 0.43 -4.16 2.90 0.13 -1.85 -1.81 132.00 129.64 3kru h PRO 118 Ca -0.33 -0.32 -0.18 0.00 -0.87 0.00 0.00 66.00 64.30 3kru h PRO 118 Cb 1.24 0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.24 3kru h PRO 118 CO 0.42 0.94 -0.70 -1.12 -0.23 0.00 0.00 178.00 177.31 3kru s SER 119 N -6.95 0.43 -1.33 1.44 0.01 -1.26 -4.48 113.70 101.57 3kru s SER 119 Ca -0.06 -0.63 -0.17 0.00 1.31 0.00 0.00 55.95 56.40 3kru s SER 119 Cb 0.11 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.48 3kru s SER 119 CO 0.83 -0.35 1.94 -0.81 0.41 0.00 0.00 173.24 175.27 3kru n PRO 120 N 1.22 2.89 -3.91 12.44 -0.04 -1.26 -4.76 135.00 141.59 3kru n PRO 120 Ca -0.21 -2.91 -0.16 0.00 -0.04 0.00 0.00 63.50 60.18 3kru n PRO 120 Cb 0.56 -3.41 -0.16 0.00 -0.04 0.00 0.00 33.50 30.46 3kru n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kru s ILE 121 N 4.31 0.12 0.48 0.52 1.01 -1.26 -4.91 121.20 121.47 3kru s ILE 121 Ca 0.52 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 61.05 3kru s ILE 121 Cb 0.08 -0.20 -0.09 0.00 0.01 0.00 0.00 42.46 42.27 3kru s ILE 121 CO 0.02 0.11 1.02 -0.54 0.00 0.00 0.00 174.94 175.55 3kru s LYS 122 N 0.79 3.86 0.36 2.79 1.02 -1.26 -4.48 119.74 122.81 3kru s LYS 122 Ca -0.07 1.29 0.27 0.00 0.02 0.00 0.00 55.97 57.47 3kru s LYS 122 Cb -0.11 -2.11 0.92 0.00 -0.52 0.00 0.00 37.83 36.02 3kru s LYS 122 CO -0.02 -0.37 1.78 0.00 -0.92 0.00 0.00 175.35 175.82 3kru h ALA 123 N 1.52 1.00 0.00 5.17 0.00 -1.82 -3.48 119.26 121.66 3kru h ALA 123 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kru h ALA 123 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kru h ALA 123 CO 0.59 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.25 3kru n GLY 124 N 0.53 1.11 0.32 0.00 0.00 -1.26 -4.46 105.19 101.44 3kru n GLY 124 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.12 3kru n GLY 124 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kru h ASP 125 N 0.00 0.65 0.78 1.61 3.32 -2.01 -1.60 116.42 119.17 3kru h ASP 125 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kru h ASP 125 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kru h ASP 125 CO 0.00 0.51 0.00 -2.11 -1.72 0.00 0.00 179.24 175.92 3kru n ARG 126 N -4.42 0.03 -3.03 3.56 -4.01 -1.26 -4.86 116.66 102.68 3kru n ARG 126 Ca 0.05 0.09 -0.25 0.00 -1.04 0.00 0.00 57.85 56.70 3kru n ARG 126 Cb 0.08 -1.50 -0.00 0.00 -3.04 0.00 0.00 32.46 28.00 3kru n ARG 126 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3kru s TYR 127 N -2.96 3.46 0.53 2.89 2.02 -0.60 -5.09 117.35 117.60 3kru s TYR 127 Ca 0.12 0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 57.13 3kru s TYR 127 Cb 0.15 -2.14 -0.06 0.00 -0.40 0.00 0.00 41.96 39.51 3kru s TYR 127 CO 0.42 -0.14 1.02 -1.59 -1.57 0.00 0.00 175.55 173.70 3kru s LYS 128 N -4.53 3.68 -0.19 -0.62 -2.85 -1.26 -4.88 119.74 109.10 3kru s LYS 128 Ca 0.44 1.15 -0.29 0.00 -1.00 0.00 0.00 55.97 56.28 3kru s LYS 128 Cb -0.10 -2.09 -0.02 0.00 -2.06 0.00 0.00 37.83 33.57 3kru s LYS 128 CO 0.40 -0.51 1.34 -1.17 0.10 0.00 0.00 175.35 175.51 3kru s LEU 129 N -4.06 4.11 0.44 2.77 2.96 -1.26 -4.63 118.68 119.01 3kru s LEU 129 Ca 0.63 1.65 -0.23 0.00 -0.22 0.00 0.00 54.13 55.96 3kru s LEU 129 Cb -0.14 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 3kru s LEU 129 CO 0.30 -0.88 1.09 -2.16 -1.32 0.00 0.00 176.35 173.38 3kru s PRO 130 N 3.79 3.91 0.07 0.98 0.04 -1.26 -4.93 135.00 137.59 3kru s PRO 130 Ca 0.58 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 3kru s PRO 130 Cb -0.22 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 3kru s PRO 130 CO 0.19 -0.38 0.58 -0.98 0.04 0.00 0.00 177.00 176.45 3kru s ARG 131 N -2.75 4.22 -0.09 4.56 1.70 -0.55 -4.28 118.95 121.77 3kru s ARG 131 Ca 0.62 0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 56.34 3kru s ARG 131 Cb -0.23 -3.25 -0.04 0.00 -0.57 0.00 0.00 34.95 30.86 3kru s ARG 131 CO 0.28 0.62 1.55 -2.00 -1.08 0.00 0.00 175.30 174.67 3kru s GLU 132 N -1.04 4.19 0.31 3.89 2.12 -1.26 -1.81 118.70 125.10 3kru s GLU 132 Ca 0.29 2.03 -0.29 0.00 0.36 0.00 0.00 54.97 57.37 3kru s GLU 132 Cb -0.20 -3.93 -0.10 0.00 0.26 0.00 0.00 34.13 30.17 3kru s GLU 132 CO 0.19 -0.82 1.25 -0.51 -0.54 0.00 0.00 175.26 174.83 3kru s LEU 133 N 3.92 4.46 0.72 2.70 1.43 -0.68 -4.96 118.68 126.27 3kru s LEU 133 Ca 0.68 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 56.23 3kru s LEU 133 Cb -0.30 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.30 3kru s LEU 133 CO 0.25 -0.42 1.08 -0.94 0.23 0.00 0.00 176.35 176.55 3kru s SER 134 N -0.57 5.22 0.36 2.29 1.04 -1.26 -4.87 113.70 115.91 3kru s SER 134 Ca 0.48 1.36 0.03 0.00 0.48 0.00 0.00 55.95 58.30 3kru s SER 134 Cb -0.37 -2.19 0.69 0.00 0.10 0.00 0.00 66.02 64.25 3kru s SER 134 CO 0.49 -1.51 2.02 -0.37 0.98 0.00 0.00 173.24 174.85 3kru h VAL 135 N -0.77 1.15 -0.52 5.02 -1.51 -1.99 0.21 116.25 117.84 3kru h VAL 135 Ca -0.45 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 3kru h VAL 135 Cb 1.24 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 3kru h VAL 135 CO 0.60 0.14 0.24 -0.33 -1.23 0.00 0.00 177.57 176.99 3kru h GLU 136 N 0.79 0.76 -0.54 5.19 3.07 -2.00 -1.39 114.58 120.46 3kru h GLU 136 Ca 0.22 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 3kru h GLU 136 Cb -0.08 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3kru h GLU 136 CO -0.05 0.64 -0.07 0.93 -1.40 0.00 0.00 179.01 179.07 3kru h GLU 137 N 0.70 0.98 -0.63 2.33 5.08 -1.74 -2.31 114.58 118.99 3kru h GLU 137 Ca 0.18 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3kru h GLU 137 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3kru h GLU 137 CO -0.02 1.01 0.39 0.82 -1.00 0.00 0.00 179.01 180.21 3kru h ILE 138 N 0.89 1.08 -0.87 3.13 2.04 -0.73 -1.41 117.51 121.64 3kru h ILE 138 Ca 0.15 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3kru h ILE 138 Cb 0.61 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3kru h ILE 138 CO 0.04 0.14 0.56 0.50 0.00 0.00 0.00 178.15 179.39 3kru h LYS 139 N 0.77 1.16 -0.34 2.37 3.64 -0.98 0.18 116.57 123.37 3kru h LYS 139 Ca 0.25 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3kru h LYS 139 Cb 0.01 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3kru h LYS 139 CO -0.10 0.78 -0.04 0.66 -2.27 0.00 0.00 179.45 178.48 3kru h SER 140 N 1.19 0.51 -0.08 4.20 4.64 -0.81 -0.71 113.55 122.49 3kru h SER 140 Ca 0.32 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 61.30 3kru h SER 140 Cb -0.11 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3kru h SER 140 CO -0.07 0.61 -0.86 0.40 -0.87 0.00 0.00 176.83 176.04 3kru h ILE 141 N 0.51 1.29 -0.52 0.95 2.04 -0.29 -0.26 117.51 121.23 3kru h ILE 141 Ca 0.11 -2.08 0.10 0.00 1.00 0.00 0.00 64.86 63.99 3kru h ILE 141 Cb 0.39 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 3kru h ILE 141 CO 0.02 0.65 0.03 0.58 0.00 0.00 0.00 178.15 179.43 3kru h VAL 142 N 0.41 0.62 -0.75 1.67 2.07 -0.75 -0.73 116.25 118.78 3kru h VAL 142 Ca -0.09 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kru h VAL 142 Cb 1.51 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3kru h VAL 142 CO 0.17 0.03 0.45 0.11 0.02 0.00 0.00 177.57 178.36 3kru h LYS 143 N 0.15 1.02 -0.69 1.57 1.79 -0.96 -2.24 116.57 117.22 3kru h LYS 143 Ca 0.27 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3kru h LYS 143 Cb 0.40 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 3kru h LYS 143 CO -0.41 0.71 0.42 0.00 -1.08 0.00 0.00 179.45 179.10 3kru h ALA 144 N 1.46 0.87 -0.95 3.86 0.00 -0.15 -0.90 119.26 123.46 3kru h ALA 144 Ca 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kru h ALA 144 Cb -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3kru h ALA 144 CO -0.05 0.34 0.58 0.74 0.00 0.00 0.00 179.25 180.86 3kru h PHE 145 N 0.93 1.25 -0.26 0.00 0.04 -0.68 -0.54 116.94 117.67 3kru h PHE 145 Ca 0.25 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 3kru h PHE 145 Cb -0.04 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.68 3kru h PHE 145 CO -0.02 0.82 0.15 0.78 -0.60 0.00 0.00 178.31 179.45 3kru h GLY 146 N 1.31 0.38 1.24 -1.45 0.00 -0.85 -1.42 103.07 102.28 3kru h GLY 146 Ca 0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3kru h GLY 146 CO -0.07 0.16 0.05 0.83 0.00 0.00 0.00 176.54 177.51 3kru h GLU 147 N 0.32 0.93 -0.83 4.80 5.08 -1.04 -1.42 114.58 122.42 3kru h GLU 147 Ca 0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3kru h GLU 147 Cb 0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3kru h GLU 147 CO -0.02 0.89 0.46 0.00 -1.00 0.00 0.00 179.01 179.35 3kru h ALA 148 N 1.18 1.26 -0.47 3.43 0.00 -0.90 -0.74 119.26 123.01 3kru h ALA 148 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3kru h ALA 148 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kru h ALA 148 CO 0.02 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 3kru h ALA 149 N 1.36 0.79 -0.25 0.00 0.00 -0.77 0.84 119.26 121.23 3kru h ALA 149 Ca 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kru h ALA 149 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kru h ALA 149 CO -0.05 0.66 0.17 -0.22 0.00 0.00 0.00 179.25 179.81 3kru h LYS 150 N 0.81 0.33 -0.79 0.00 3.64 -0.90 -0.59 116.57 119.08 3kru h LYS 150 Ca 0.12 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3kru h LYS 150 Cb 0.73 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3kru h LYS 150 CO 0.06 0.22 0.40 0.00 -2.27 0.00 0.00 179.45 177.86 3kru h ARG 151 N 0.34 1.13 -0.82 1.90 3.08 -0.98 -2.09 114.38 116.94 3kru h ARG 151 Ca 0.09 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3kru h ARG 151 Cb -0.04 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 3kru h ARG 151 CO -0.02 0.86 0.38 0.00 -1.07 0.00 0.00 179.97 180.12 3kru h ALA 152 N 1.21 1.14 -0.66 0.04 0.00 -0.25 -0.83 119.26 119.90 3kru h ALA 152 Ca 0.27 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3kru h ALA 152 Cb 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3kru h ALA 152 CO -0.04 0.65 0.16 -0.97 0.00 0.00 0.00 179.25 179.04 3kru h ASN 153 N 1.16 1.01 -0.24 0.00 -1.24 -0.88 -2.24 115.58 113.15 3kru h ASN 153 Ca 0.28 -0.24 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 3kru h ASN 153 Cb 0.13 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 3kru h ASN 153 CO -0.03 0.99 0.06 -0.07 -1.29 0.00 0.00 177.43 177.08 3kru h LEU 154 N 0.99 0.45 -0.65 0.34 3.38 -0.79 -1.65 115.31 117.38 3kru h LEU 154 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kru h LEU 154 Cb 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kru h LEU 154 CO 0.00 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3kru h ALA 155 N 1.59 1.00 0.00 1.53 0.00 -0.74 -3.47 119.26 119.16 3kru h ALA 155 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kru h ALA 155 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kru h ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3kru n GLY 156 N 0.50 0.93 3.71 0.00 0.00 -0.62 -4.45 105.19 105.26 3kru n GLY 156 Ca 0.03 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kru n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kru n TYR 157 N -2.14 2.09 0.02 1.61 4.01 -0.99 -4.93 117.16 116.83 3kru n TYR 157 Ca 0.00 0.46 -0.13 0.00 -0.16 0.00 0.00 57.90 58.06 3kru n TYR 157 Cb 0.00 -2.35 -0.14 0.00 -0.31 0.00 0.00 39.34 36.54 3kru n TYR 157 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kru h ASP 158 N 1.63 0.20 -4.02 7.72 3.32 -0.97 -3.44 116.42 120.86 3kru h ASP 158 Ca -0.49 -0.34 -0.42 0.00 0.02 0.00 0.00 57.03 55.79 3kru h ASP 158 Cb 1.31 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.50 3kru h ASP 158 CO 0.58 1.30 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.91 3kru s VAL 159 N -2.61 0.81 -0.13 -1.35 1.01 -0.97 -4.03 120.40 113.13 3kru s VAL 159 Ca -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kru s VAL 159 Cb 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3kru s VAL 159 CO 0.82 0.23 -0.09 0.54 0.00 0.00 0.00 175.10 176.61 3kru s VAL 160 N -0.14 3.43 -0.11 2.92 0.11 -1.10 -1.42 120.40 124.09 3kru s VAL 160 Ca 0.02 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 3kru s VAL 160 Cb -0.05 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 3kru s VAL 160 CO -0.00 0.52 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.44 3kru s GLU 161 N 0.18 3.13 -0.21 1.54 2.12 0.05 -0.55 118.70 124.95 3kru s GLU 161 Ca -0.05 -0.72 -0.17 0.00 0.36 0.00 0.00 54.97 54.39 3kru s GLU 161 Cb -0.15 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 3kru s GLU 161 CO 0.04 0.31 0.45 0.42 -0.54 0.00 0.00 175.26 175.94 3kru s ILE 162 N 0.10 5.15 -0.75 -3.70 1.01 -0.37 -0.22 121.20 122.41 3kru s ILE 162 Ca -0.07 0.80 -0.21 0.00 0.00 0.00 0.00 60.65 61.17 3kru s ILE 162 Cb -0.15 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.63 3kru s ILE 162 CO 0.05 0.20 1.03 -2.28 0.00 0.00 0.00 174.94 173.94 3kru s HIS 163 N 1.61 2.79 -0.25 3.97 2.46 -0.53 -1.34 115.29 124.00 3kru s HIS 163 Ca 0.21 -0.81 0.13 0.00 0.47 0.00 0.00 55.06 55.06 3kru s HIS 163 Cb -0.15 -4.31 0.61 0.00 -0.13 0.00 0.00 32.58 28.60 3kru s HIS 163 CO 0.09 -1.62 1.57 0.00 -2.47 0.00 0.00 174.74 172.31 3kru n ALA 164 N 7.43 3.81 -4.35 1.58 0.00 0.50 -4.62 120.51 124.87 3kru n ALA 164 Ca 0.06 -2.48 -0.20 0.00 0.00 0.00 0.00 53.44 50.82 3kru n ALA 164 Cb 0.47 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 3kru n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kru n ALA 165 N -0.48 0.33 -2.27 0.00 0.00 -1.06 -3.52 120.51 113.50 3kru n ALA 165 Ca 0.30 -1.46 -0.19 0.00 0.00 0.00 0.00 53.44 52.09 3kru n ALA 165 Cb 1.10 0.88 -0.02 0.00 0.00 0.00 0.00 19.45 21.40 3kru n ALA 165 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kru n HIS 166 N -0.74 -0.81 -0.99 0.00 8.25 -1.21 -2.40 115.22 117.31 3kru n HIS 166 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3kru n HIS 166 Cb 0.42 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.84 3kru n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kru n GLY 167 N -0.97 0.46 0.00 -1.41 0.00 -1.25 -4.43 105.19 97.59 3kru n GLY 167 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kru n GLY 167 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kru n TYR 168 N -2.79 -3.03 0.07 1.61 4.01 -1.01 -4.56 117.16 111.47 3kru n TYR 168 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3kru n TYR 168 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 3kru n TYR 168 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3kru h LEU 169 N 0.00 -0.40 -0.35 7.72 5.85 -1.17 0.35 115.31 127.31 3kru h LEU 169 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kru h LEU 169 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kru h LEU 169 CO 0.00 -0.20 0.08 0.40 -0.34 0.00 0.00 178.44 178.38 3kru h ILE 170 N -0.26 1.23 -0.89 4.05 2.04 -1.82 -2.06 117.51 119.80 3kru h ILE 170 Ca 0.03 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.20 3kru h ILE 170 Cb 0.29 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3kru h ILE 170 CO -0.10 0.26 0.54 -0.74 0.00 0.00 0.00 178.15 178.11 3kru h HIS 171 N 0.42 1.00 -0.96 1.37 2.76 -1.52 -0.99 115.15 117.22 3kru h HIS 171 Ca 0.11 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 3kru h HIS 171 Cb 0.32 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 3kru h HIS 171 CO 0.02 0.45 0.63 0.93 -1.30 0.00 0.00 177.93 178.66 3kru h GLU 172 N 0.94 1.15 -0.33 5.26 5.08 -0.24 -0.29 114.58 126.15 3kru h GLU 172 Ca 0.41 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3kru h GLU 172 Cb 0.30 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kru h GLU 172 CO -0.22 0.76 -0.22 0.74 -1.00 0.00 0.00 179.01 179.08 3kru h PHE 173 N 1.19 0.70 -0.01 4.33 0.04 -0.79 -3.20 116.94 119.20 3kru h PHE 173 Ca 0.39 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 3kru h PHE 173 Cb 0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3kru h PHE 173 CO -0.00 0.79 -0.57 -0.07 -0.60 0.00 0.00 178.31 177.86 3kru h LEU 174 N 0.55 0.02 -9.28 1.54 3.38 0.07 -3.43 115.31 108.15 3kru h LEU 174 Ca 0.08 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.46 3kru h LEU 174 Cb 0.67 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 3kru h LEU 174 CO 0.05 0.58 -0.14 -0.55 0.09 0.00 0.00 178.44 178.47 3kru s SER 175 N -6.87 6.63 0.65 -0.43 0.15 -0.50 -4.90 113.70 108.44 3kru s SER 175 Ca -0.02 0.75 0.39 0.00 0.70 0.00 0.00 55.95 57.78 3kru s SER 175 Cb 0.13 -2.28 2.18 0.00 -1.71 0.00 0.00 66.02 64.34 3kru s SER 175 CO 0.76 -0.03 2.27 -0.65 1.20 0.00 0.00 173.24 176.79 3kru h PRO 176 N 6.87 0.00 0.00 5.44 0.11 -1.83 -1.35 132.00 141.24 3kru h PRO 176 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3kru h PRO 176 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3kru h PRO 176 CO 0.75 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.27 3kru h LEU 177 N 0.00 0.00 0.00 2.35 3.38 -1.92 -3.30 115.31 115.82 3kru h LEU 177 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kru h LEU 177 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kru h LEU 177 CO -0.00 0.20 -0.74 -1.54 0.09 0.00 0.00 178.44 176.45 3kru n SER 178 N -3.34 2.48 -4.15 -0.43 3.41 -0.93 -4.93 113.62 105.73 3kru n SER 178 Ca 0.00 -0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 57.99 3kru n SER 178 Cb 0.43 1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 65.37 3kru n SER 178 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kru s ASN 179 N -1.96 5.41 -0.15 4.04 3.84 -0.55 -4.00 114.94 121.56 3kru s ASN 179 Ca -0.00 -2.09 0.16 0.00 0.21 0.00 0.00 52.86 51.13 3kru s ASN 179 Cb 0.02 -1.89 0.62 0.00 -0.55 0.00 0.00 41.25 39.45 3kru s ASN 179 CO 0.15 -0.57 1.53 0.29 -2.79 0.00 0.00 177.10 175.71 3kru n LYS 180 N 4.56 3.60 -2.00 0.43 4.76 -1.26 -4.66 118.16 123.58 3kru n LYS 180 Ca -0.03 -2.83 -0.38 0.00 -2.87 0.00 0.00 58.31 52.20 3kru n LYS 180 Cb 0.41 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 3kru n LYS 180 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kru s ARG 181 N -2.33 3.54 -0.03 1.97 0.52 -1.26 -4.93 118.95 116.43 3kru s ARG 181 Ca 0.45 2.07 0.10 0.00 -0.52 0.00 0.00 55.73 57.83 3kru s ARG 181 Cb 0.33 -2.42 0.30 0.00 0.52 0.00 0.00 34.95 33.68 3kru s ARG 181 CO 0.15 -0.82 1.25 1.63 0.02 0.00 0.00 175.30 177.53 3kru n LYS 182 N -0.58 2.86 -0.08 3.54 4.76 -1.26 -2.87 118.16 124.53 3kru n LYS 182 Ca 0.08 -2.12 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 3kru n LYS 182 Cb 0.46 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 3kru n LYS 182 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kru n ASP 183 N 0.19 0.00 0.00 4.39 5.68 -1.26 -4.93 116.55 120.62 3kru n ASP 183 Ca 0.12 -0.08 0.10 0.00 -0.50 0.00 0.00 54.79 54.42 3kru n ASP 183 Cb 0.48 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.96 3kru n ASP 183 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3kru n GLU 184 N -0.08 0.25 -0.24 0.11 0.00 -1.26 -1.94 120.64 117.48 3kru n GLU 184 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.38 3kru n GLU 184 Cb 0.00 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.20 3kru n GLU 184 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3kru n TYR 185 N -1.31 0.63 -4.19 -1.84 4.01 -1.26 -4.57 117.16 108.62 3kru n TYR 185 Ca 0.09 -0.31 -0.16 0.00 -0.16 0.00 0.00 57.90 57.36 3kru n TYR 185 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.13 3kru n TYR 185 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3kru s GLY 186 N -1.34 1.78 0.00 2.72 0.00 -0.82 -3.94 107.32 105.73 3kru s GLY 186 Ca 0.41 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3kru s GLY 186 CO 0.32 -1.27 0.00 -2.01 0.00 0.00 0.00 173.10 170.14 3kru n ASN 187 N -1.16 0.00 -4.76 1.64 2.85 -1.14 -4.66 115.26 108.04 3kru n ASN 187 Ca 0.04 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.18 3kru n ASN 187 Cb 0.63 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.71 3kru n ASN 187 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3kru s SER 188 N -4.00 4.81 0.27 1.20 1.04 -1.26 -4.75 113.70 111.01 3kru s SER 188 Ca 0.00 2.09 -0.04 0.00 0.48 0.00 0.00 55.95 58.48 3kru s SER 188 Cb 0.00 -2.56 0.34 0.00 0.10 0.00 0.00 66.02 63.90 3kru s SER 188 CO 0.00 -1.83 1.89 -0.29 0.98 0.00 0.00 173.24 173.98 3kru h ILE 189 N -0.13 1.23 -0.31 -1.02 2.10 -1.99 -0.06 117.51 117.34 3kru h ILE 189 Ca -0.47 -0.60 -0.05 0.00 1.08 0.00 0.00 64.86 64.82 3kru h ILE 189 Cb 1.26 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 3kru h ILE 189 CO 0.53 0.27 -0.02 1.05 -1.08 0.00 0.00 178.15 178.89 3kru h GLU 190 N 1.09 0.47 -0.21 2.19 9.09 -1.97 -1.59 114.58 123.66 3kru h GLU 190 Ca 0.27 -0.10 -0.20 0.00 0.05 0.00 0.00 59.36 59.38 3kru h GLU 190 Cb 0.05 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 3kru h GLU 190 CO -0.04 0.52 -0.66 -0.91 0.05 0.00 0.00 179.01 177.97 3kru h ASN 191 N 0.45 0.89 -0.20 3.06 4.21 -1.55 -2.67 115.58 119.77 3kru h ASN 191 Ca 0.10 -0.53 -0.03 0.00 1.21 0.00 0.00 56.30 57.05 3kru h ASN 191 Cb 0.34 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 3kru h ASN 191 CO 0.01 1.32 0.05 0.03 -1.29 0.00 0.00 177.43 177.55 3kru h ARG 192 N 0.57 0.41 0.00 0.81 3.08 -0.71 -2.25 114.38 116.29 3kru h ARG 192 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kru h ARG 192 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3kru h ARG 192 CO 0.14 0.40 -0.05 0.00 -1.07 0.00 0.00 179.97 179.39 3kru n ALA 193 N -2.49 2.35 -0.15 0.04 0.00 -0.63 -3.94 120.51 115.69 3kru n ALA 193 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 3kru n ALA 193 Cb 0.18 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.24 3kru n ALA 193 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kru h ARG 194 N 0.00 0.28 -0.28 0.00 2.43 -1.05 -0.52 114.38 115.24 3kru h ARG 194 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kru h ARG 194 Cb 0.69 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3kru h ARG 194 CO 0.00 0.19 0.14 0.35 -1.51 0.00 0.00 179.97 179.14 3kru h PHE 195 N 0.29 0.40 -0.24 2.20 3.57 -1.77 0.80 116.94 122.20 3kru h PHE 195 Ca 0.24 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3kru h PHE 195 Cb 0.28 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3kru h PHE 195 CO -0.19 0.36 0.03 1.25 -2.23 0.00 0.00 178.31 177.52 3kru h LEU 196 N 0.33 -0.04 -0.62 0.59 5.85 -1.70 -0.07 115.31 119.64 3kru h LEU 196 Ca 0.10 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3kru h LEU 196 Cb 0.10 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3kru h LEU 196 CO -0.01 0.01 0.39 0.40 -0.34 0.00 0.00 178.44 178.89 3kru h ILE 197 N 0.11 1.09 -0.57 4.05 2.04 -0.76 -0.94 117.51 122.53 3kru h ILE 197 Ca 0.11 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3kru h ILE 197 Cb 0.12 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3kru h ILE 197 CO -0.16 0.14 0.05 -0.33 0.00 0.00 0.00 178.15 177.84 3kru h GLU 198 N 0.77 0.95 -0.22 2.37 5.08 -0.44 -1.11 114.58 121.98 3kru h GLU 198 Ca 0.25 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3kru h GLU 198 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3kru h GLU 198 CO -0.09 0.91 0.09 0.28 -1.00 0.00 0.00 179.01 179.19 3kru h VAL 199 N 0.89 1.17 -0.44 3.13 2.07 -0.62 -0.86 116.25 121.58 3kru h VAL 199 Ca 0.17 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3kru h VAL 199 Cb 0.46 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3kru h VAL 199 CO 0.02 0.17 0.28 0.40 0.02 0.00 0.00 177.57 178.45 3kru h ILE 200 N 0.20 1.09 -0.71 4.57 2.04 -0.97 0.23 117.51 123.97 3kru h ILE 200 Ca 0.07 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3kru h ILE 200 Cb 0.18 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3kru h ILE 200 CO -0.01 0.10 0.45 0.44 0.00 0.00 0.00 178.15 179.14 3kru h ASP 201 N 0.57 0.76 -0.29 1.72 3.32 -1.03 -0.55 116.42 120.92 3kru h ASP 201 Ca 0.17 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3kru h ASP 201 Cb -0.04 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3kru h ASP 201 CO -0.05 0.53 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.43 3kru h GLU 202 N 0.90 0.87 -0.65 3.56 4.57 -0.88 -2.32 114.58 120.63 3kru h GLU 202 Ca 0.28 -0.52 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 3kru h GLU 202 Cb -0.02 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3kru h GLU 202 CO -0.09 1.16 0.41 0.28 -1.18 0.00 0.00 179.01 179.58 3kru h VAL 203 N 0.69 1.09 -0.64 0.32 2.07 -0.65 -2.67 116.25 116.46 3kru h VAL 203 Ca 0.03 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kru h VAL 203 Cb 1.09 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3kru h VAL 203 CO 0.11 0.15 0.40 0.03 0.02 0.00 0.00 177.57 178.27 3kru h ARG 204 N 0.80 0.85 0.00 1.57 3.08 -0.87 0.11 114.38 119.91 3kru h ARG 204 Ca 0.26 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kru h ARG 204 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3kru h ARG 204 CO -0.10 0.58 -0.01 0.87 -1.07 0.00 0.00 179.97 180.24 3kru h LYS 205 N 0.87 0.00 -0.07 0.04 1.57 -1.07 -3.08 116.57 114.83 3kru h LYS 205 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kru h LYS 205 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3kru h LYS 205 CO -0.05 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 3kru n ASN 206 N -3.17 2.14 -3.92 0.86 3.02 0.23 -5.01 115.26 109.41 3kru n ASN 206 Ca -0.02 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.35 3kru n ASN 206 Cb 0.15 -0.04 -0.17 0.00 -0.61 0.00 0.00 39.78 39.11 3kru n ASN 206 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3kru s TRP 207 N -0.96 1.02 0.27 3.10 -0.11 -0.36 -3.57 118.94 118.34 3kru s TRP 207 Ca 0.05 -0.35 -0.30 0.00 1.22 0.00 0.00 56.10 56.71 3kru s TRP 207 Cb 0.02 -0.85 -0.13 0.00 -1.50 0.00 0.00 33.47 31.01 3kru s TRP 207 CO 0.03 -0.26 1.35 -2.30 -4.62 0.00 0.00 176.95 171.16 3kru n PRO 208 N 4.15 2.02 0.32 5.86 -0.02 -1.26 -4.80 135.00 141.26 3kru n PRO 208 Ca -0.22 0.72 0.21 0.00 -2.02 0.00 0.00 63.50 62.19 3kru n PRO 208 Cb 0.51 -2.34 1.08 0.00 -0.02 0.00 0.00 33.50 32.73 3kru n PRO 208 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kru h GLU 209 N 3.63 0.00 -0.39 -0.52 9.09 -2.00 -2.01 114.58 122.38 3kru h GLU 209 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3kru h GLU 209 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3kru h GLU 209 CO 0.71 0.00 0.00 0.27 0.05 0.00 0.00 179.01 180.05 3kru n ASN 210 N -3.13 2.65 -4.52 3.06 6.94 -1.26 -4.87 115.26 114.13 3kru n ASN 210 Ca -0.02 -1.92 -0.33 0.00 -0.02 0.00 0.00 54.58 52.29 3kru n ASN 210 Cb 0.13 -0.26 -0.12 0.00 -2.36 0.00 0.00 39.78 37.17 3kru n ASN 210 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3kru s LYS 211 N -1.48 2.54 0.56 -3.83 1.02 -0.76 -1.53 119.74 116.27 3kru s LYS 211 Ca 0.35 -0.68 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3kru s LYS 211 Cb 0.19 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3kru s LYS 211 CO 0.26 0.63 1.17 -2.14 -0.92 0.00 0.00 175.35 174.35 3kru s PRO 212 N -0.91 3.18 -0.16 -1.68 0.02 -1.26 -4.85 135.00 129.35 3kru s PRO 212 Ca 0.13 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.89 3kru s PRO 212 Cb -0.11 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kru s PRO 212 CO 0.02 -1.02 -0.17 0.42 -0.33 0.00 0.00 177.00 175.92 3kru s ILE 213 N -1.66 2.43 0.22 2.83 1.01 -1.26 -2.73 121.20 122.04 3kru s ILE 213 Ca 0.75 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3kru s ILE 213 Cb -0.28 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3kru s ILE 213 CO 0.31 0.52 0.24 -0.36 0.00 0.00 0.00 174.94 175.65 3kru s PHE 214 N 0.94 3.26 -0.07 3.97 0.40 0.29 -1.05 117.98 125.72 3kru s PHE 214 Ca -0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3kru s PHE 214 Cb -0.15 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.90 3kru s PHE 214 CO -0.03 0.50 -0.06 0.08 0.70 0.00 0.00 175.22 176.41 3kru s VAL 215 N -1.98 0.76 -0.12 -0.44 1.01 -0.81 -1.24 120.40 117.58 3kru s VAL 215 Ca 0.33 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 3kru s VAL 215 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3kru s VAL 215 CO 0.26 0.30 0.48 -0.60 0.00 0.00 0.00 175.10 175.54 3kru s ARG 216 N 1.34 4.34 0.12 2.72 3.52 -0.45 -0.71 118.95 129.82 3kru s ARG 216 Ca -0.03 0.45 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 3kru s ARG 216 Cb -0.14 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3kru s ARG 216 CO -0.03 0.15 -0.14 0.14 -0.81 0.00 0.00 175.30 174.61 3kru s VAL 217 N 0.64 1.33 -0.40 7.11 -7.23 -0.89 -0.37 120.40 120.59 3kru s VAL 217 Ca 0.26 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 3kru s VAL 217 Cb -0.15 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.32 3kru s VAL 217 CO 0.10 -0.37 0.37 -0.44 -0.31 0.00 0.00 175.10 174.44 3kru s SER 218 N -2.35 6.15 0.00 4.85 0.01 -1.26 -0.53 113.70 120.58 3kru s SER 218 Ca 0.08 -0.71 0.30 0.00 1.31 0.00 0.00 55.95 56.93 3kru s SER 218 Cb -0.06 -2.19 1.46 0.00 0.21 0.00 0.00 66.02 65.44 3kru s SER 218 CO 0.03 -0.49 1.98 0.00 0.41 0.00 0.00 173.24 175.18 3kru n ALA 219 N 5.38 2.68 -3.66 1.44 0.00 -0.27 -4.77 120.51 121.31 3kru n ALA 219 Ca -0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 3kru n ALA 219 Cb 0.48 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 3kru n ALA 219 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kru s ASP 220 N -2.20 -0.72 0.00 0.00 -1.08 -1.26 -2.43 116.67 108.98 3kru s ASP 220 Ca 0.38 1.19 0.26 0.00 -0.52 0.00 0.00 52.55 53.85 3kru s ASP 220 Cb 0.21 1.06 0.62 0.00 -1.46 0.00 0.00 42.92 43.36 3kru s ASP 220 CO 0.40 -0.21 1.49 0.47 0.52 0.00 0.00 175.17 177.84 3kru n ASP 221 N 4.26 0.60 -2.87 -0.34 8.00 -0.26 -0.88 116.55 125.05 3kru n ASP 221 Ca -0.22 -0.38 -0.21 0.00 0.71 0.00 0.00 54.79 54.69 3kru n ASP 221 Cb 0.57 0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.86 3kru n ASP 221 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kru n TYR 222 N -1.28 -1.68 -3.75 1.24 4.01 -1.26 -4.89 117.16 109.54 3kru n TYR 222 Ca 0.07 0.35 -0.12 0.00 -0.16 0.00 0.00 57.90 58.04 3kru n TYR 222 Cb 0.34 -4.06 -0.11 0.00 -0.31 0.00 0.00 39.34 35.19 3kru n TYR 222 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kru s MET 223 N -5.53 0.33 0.13 -0.72 1.75 -1.26 -5.02 119.30 108.98 3kru s MET 223 Ca 0.22 0.48 -0.35 0.00 -1.25 0.00 0.00 55.69 54.79 3kru s MET 223 Cb -0.10 0.10 -0.16 0.00 2.84 0.00 0.00 34.83 37.51 3kru s MET 223 CO 0.27 -0.08 1.35 0.39 -0.65 0.00 0.00 175.02 176.31 3kru n GLU 224 N 3.29 1.41 0.00 4.11 -0.58 -1.26 -1.38 120.64 126.23 3kru n GLU 224 Ca -0.16 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 3kru n GLU 224 Cb 0.57 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 3kru n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kru n GLY 225 N 2.54 2.04 0.09 0.62 0.00 -1.26 -5.03 105.19 104.19 3kru n GLY 225 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 3kru n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 226 N -2.00 0.70 3.76 -0.02 0.00 -0.48 -4.36 105.19 102.79 3kru n GLY 226 Ca 0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3kru n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kru s ILE 227 N 0.12 2.28 0.34 -0.61 1.01 -1.26 -4.87 121.20 118.21 3kru s ILE 227 Ca 0.02 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.97 3kru s ILE 227 Cb -0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3kru s ILE 227 CO 0.01 0.05 0.18 0.54 0.00 0.00 0.00 174.94 175.72 3kru s ASN 228 N 0.03 1.90 0.31 3.58 2.20 -1.25 -1.11 114.94 120.60 3kru s ASN 228 Ca 0.56 -1.63 -0.00 0.00 -0.94 0.00 0.00 52.86 50.84 3kru s ASN 228 Cb -0.45 0.45 0.51 0.00 -2.00 0.00 0.00 41.25 39.77 3kru s ASN 228 CO 0.54 -0.94 1.97 -0.29 -2.94 0.00 0.00 177.10 175.44 3kru h ILE 229 N 2.08 1.16 -0.66 0.54 6.09 -1.88 -0.75 117.51 124.10 3kru h ILE 229 Ca -0.32 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 62.75 3kru h ILE 229 Cb 1.25 0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 3kru h ILE 229 CO 0.50 0.19 0.17 0.44 -3.07 0.00 0.00 178.15 176.37 3kru h ASP 230 N 1.03 1.00 -0.56 2.19 3.32 -1.97 0.14 116.42 121.58 3kru h ASP 230 Ca 0.31 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3kru h ASP 230 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3kru h ASP 230 CO -0.08 0.97 0.03 -0.03 -1.72 0.00 0.00 179.24 178.42 3kru h MET 231 N 0.99 0.96 -0.41 3.56 4.05 -1.66 -2.19 114.93 120.23 3kru h MET 231 Ca 0.21 -0.29 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 3kru h MET 231 Cb 0.36 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 3kru h MET 231 CO 0.00 0.95 -0.14 1.98 0.23 0.00 0.00 176.91 179.94 3kru h MET 232 N 0.85 0.75 -0.67 0.39 1.85 -0.83 -1.77 114.93 115.50 3kru h MET 232 Ca 0.16 -0.26 0.07 0.00 -0.61 0.00 0.00 59.70 59.07 3kru h MET 232 Cb 0.49 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.41 3kru h MET 232 CO 0.02 0.85 0.35 0.28 -0.40 0.00 0.00 176.91 178.01 3kru h VAL 233 N 0.67 0.91 -0.25 -5.77 2.07 -0.76 0.73 116.25 113.86 3kru h VAL 233 Ca 0.11 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3kru h VAL 233 Cb 0.61 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3kru h VAL 233 CO 0.04 0.12 0.05 -0.33 0.02 0.00 0.00 177.57 177.47 3kru h GLU 234 N 0.63 0.15 -0.54 1.57 5.08 -0.87 -0.64 114.58 119.96 3kru h GLU 234 Ca 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3kru h GLU 234 Cb 0.26 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3kru h GLU 234 CO -0.22 0.10 0.29 1.88 -1.00 0.00 0.00 179.01 180.05 3kru h TYR 235 N 0.15 0.76 -0.47 4.33 0.05 -0.72 -2.68 116.97 118.38 3kru h TYR 235 Ca 0.11 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 3kru h TYR 235 Cb 0.11 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 3kru h TYR 235 CO -0.15 0.57 0.06 0.82 -1.05 0.00 0.00 178.16 178.41 3kru h ILE 236 N 0.73 1.22 0.00 -2.88 1.08 -0.59 -1.21 117.51 115.86 3kru h ILE 236 Ca 0.19 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 3kru h ILE 236 Cb 0.07 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3kru h ILE 236 CO -0.03 0.31 -0.07 0.78 -0.69 0.00 0.00 178.15 178.45 3kru h ASN 237 N 0.71 0.00 1.41 1.72 2.35 -0.83 -0.36 115.58 120.58 3kru h ASN 237 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kru h ASN 237 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3kru h ASN 237 CO 0.01 0.07 -0.01 0.24 -1.65 0.00 0.00 177.43 176.09 3kru h MET 238 N 0.00 0.00 0.00 0.81 2.86 -0.90 -3.36 114.93 114.34 3kru h MET 238 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kru h MET 238 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3kru h MET 238 CO 0.01 0.01 0.00 0.44 1.06 0.00 0.00 176.91 178.43 3kru n ILE 239 N -3.10 0.00 0.26 -1.22 -5.35 -0.67 -4.82 119.36 104.46 3kru n ILE 239 Ca 0.02 -0.44 0.13 0.00 -0.27 0.00 0.00 62.75 62.19 3kru n ILE 239 Cb 0.40 1.08 0.70 0.00 -1.74 0.00 0.00 39.64 40.07 3kru n ILE 239 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3kru h LYS 240 N 0.00 0.00 -0.00 6.28 2.10 -1.25 0.46 116.57 124.16 3kru h LYS 240 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kru h LYS 240 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3kru h LYS 240 CO 0.00 0.13 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.31 3kru n ASP 241 N -3.52 0.08 -0.00 7.07 8.00 -1.26 -3.73 116.55 123.19 3kru n ASP 241 Ca -0.01 -0.52 0.03 0.00 0.71 0.00 0.00 54.79 55.00 3kru n ASP 241 Cb 0.27 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 3kru n ASP 241 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kru n LYS 242 N -1.12 4.39 -4.32 -1.24 5.02 0.13 -5.05 118.16 115.97 3kru n LYS 242 Ca 0.18 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 3kru n LYS 242 Cb 0.20 -0.82 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 3kru n LYS 242 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kru s VAL 243 N -1.67 0.92 -0.09 -0.18 -7.23 -1.05 -4.90 120.40 106.20 3kru s VAL 243 Ca 0.02 -2.02 0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3kru s VAL 243 Cb 0.04 -2.35 -0.19 0.00 0.56 0.00 0.00 36.38 34.44 3kru s VAL 243 CO 0.24 -0.30 0.16 0.47 -0.31 0.00 0.00 175.10 175.35 3kru n ASP 244 N -0.40 1.64 -3.63 4.85 8.00 -0.22 -4.83 116.55 121.96 3kru n ASP 244 Ca -0.05 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 3kru n ASP 244 Cb 0.64 1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 42.83 3kru n ASP 244 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kru s LEU 245 N -4.62 -0.74 -0.24 0.64 0.20 -1.22 -4.19 118.68 108.51 3kru s LEU 245 Ca -0.06 1.37 -0.09 0.00 0.69 0.00 0.00 54.13 56.04 3kru s LEU 245 Cb 0.06 2.36 -0.04 0.00 -0.43 0.00 0.00 46.19 48.14 3kru s LEU 245 CO 0.58 -0.23 0.11 -0.63 -0.29 0.00 0.00 176.35 175.89 3kru s ILE 246 N 0.61 4.80 -0.58 6.68 -1.09 -0.40 -1.93 121.20 129.30 3kru s ILE 246 Ca -0.02 -0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 3kru s ILE 246 Cb -0.05 -3.24 0.09 0.00 -1.58 0.00 0.00 42.46 37.68 3kru s ILE 246 CO -0.04 0.34 0.74 -0.62 -1.23 0.00 0.00 174.94 174.13 3kru s ASP 247 N 1.32 6.20 -0.26 3.58 -1.08 0.11 -1.19 116.67 125.34 3kru s ASP 247 Ca 0.06 -1.20 -0.16 0.00 -0.52 0.00 0.00 52.55 50.73 3kru s ASP 247 Cb -0.15 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 38.96 3kru s ASP 247 CO 0.05 -1.13 0.43 -0.69 0.52 0.00 0.00 175.17 174.35 3kru s VAL 248 N 2.96 5.14 0.00 1.11 1.01 -0.79 -2.10 120.40 127.72 3kru s VAL 248 Ca 0.15 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3kru s VAL 248 Cb -0.21 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3kru s VAL 248 CO 0.09 0.13 0.00 -0.24 0.00 0.00 0.00 175.10 175.08 3kru n SER 249 N 5.37 1.09 -3.68 3.32 2.88 0.31 -4.12 113.62 118.80 3kru n SER 249 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.40 3kru n SER 249 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 3kru n SER 249 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kru s SER 250 N 1.00 -0.34 0.27 -3.46 1.04 -1.26 -1.11 113.70 109.85 3kru s SER 250 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3kru s SER 250 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3kru s SER 250 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3kru n GLY 251 N -0.42 -1.85 0.00 7.32 0.00 -0.06 -4.76 105.19 105.43 3kru n GLY 251 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kru n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 252 N -0.72 3.14 0.06 -0.02 0.00 -1.26 -3.35 105.19 103.05 3kru n GLY 252 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3kru n GLY 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kru h LEU 253 N 0.00 0.06 -8.19 0.99 5.85 -1.86 -3.31 115.31 108.85 3kru h LEU 253 Ca 0.00 -0.31 -0.22 0.00 0.84 0.00 0.00 57.88 58.19 3kru h LEU 253 Cb 0.00 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 40.82 3kru h LEU 253 CO 0.00 0.35 -0.71 -0.76 -0.34 0.00 0.00 178.44 176.98 3kru s LEU 254 N -9.57 2.34 0.04 2.25 1.43 -1.26 -4.82 118.68 109.09 3kru s LEU 254 Ca -0.15 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 3kru s LEU 254 Cb 0.04 -0.04 -0.07 0.00 0.03 0.00 0.00 46.19 46.15 3kru s LEU 254 CO 0.68 -0.33 1.62 0.21 0.23 0.00 0.00 176.35 178.76 3kru s ASN 255 N -2.04 6.65 -0.03 2.29 3.04 -1.26 -4.99 114.94 118.60 3kru s ASN 255 Ca -0.05 2.39 -0.02 0.00 0.04 0.00 0.00 52.86 55.22 3kru s ASN 255 Cb -0.04 -2.56 0.01 0.00 -1.54 0.00 0.00 41.25 37.12 3kru s ASN 255 CO -0.02 -0.87 0.07 -0.69 -3.04 0.00 0.00 177.10 172.54 3kru s VAL 256 N 2.90 -0.00 -0.69 -5.21 1.01 -1.26 -5.11 120.40 112.04 3kru s VAL 256 Ca 0.73 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 3kru s VAL 256 Cb -0.37 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 35.92 3kru s VAL 256 CO 0.31 0.00 1.31 1.51 0.00 0.00 0.00 175.10 178.23 3kru s ASP 257 N 0.08 6.16 -0.08 3.32 -4.77 -1.26 -5.00 116.67 115.13 3kru s ASP 257 Ca -0.00 -0.23 -0.09 0.00 -3.30 0.00 0.00 52.55 48.93 3kru s ASP 257 Cb -0.01 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 3kru s ASP 257 CO -0.00 -1.79 0.22 -0.63 0.70 0.00 0.00 175.17 173.67 3kru s ILE 258 N 5.81 5.37 -0.22 2.11 1.01 -1.26 -5.06 121.20 128.97 3kru s ILE 258 Ca 0.40 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 3kru s ILE 258 Cb -0.08 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3kru s ILE 258 CO 0.18 0.59 1.46 0.21 0.00 0.00 0.00 174.94 177.39 3kru s ASN 259 N -1.10 6.59 -0.17 3.58 2.47 -1.26 -5.00 114.94 120.05 3kru s ASN 259 Ca 0.18 1.56 -0.06 0.00 0.42 0.00 0.00 52.86 54.96 3kru s ASN 259 Cb -0.13 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 3kru s ASN 259 CO 0.07 -1.09 0.03 -0.76 -3.72 0.00 0.00 177.10 171.63 3kru s LEU 260 N 4.56 3.62 0.14 3.21 1.43 -1.26 -4.98 118.68 125.40 3kru s LEU 260 Ca 0.64 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 3kru s LEU 260 Cb -0.23 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.16 3kru s LEU 260 CO 0.25 0.18 0.78 -0.72 0.23 0.00 0.00 176.35 177.07 3kru s TYR 261 N 0.32 -0.33 0.23 0.29 -0.85 -1.26 -5.08 117.35 110.67 3kru s TYR 261 Ca 0.01 0.07 -0.32 0.00 -0.52 0.00 0.00 57.07 56.31 3kru s TYR 261 Cb -0.13 0.60 -0.12 0.00 0.38 0.00 0.00 41.96 42.69 3kru s TYR 261 CO 0.01 -0.84 1.69 -2.14 -1.52 0.00 0.00 175.55 172.75 3kru s PRO 262 N -3.51 4.12 -0.29 -3.49 0.02 -1.26 -1.92 135.00 128.68 3kru s PRO 262 Ca 0.07 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3kru s PRO 262 Cb -0.02 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3kru s PRO 262 CO -0.05 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3kru n GLY 263 N 3.56 0.60 0.18 0.52 0.00 -0.80 -4.93 105.19 104.32 3kru n GLY 263 Ca 0.14 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.61 3kru n GLY 263 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3kru h TYR 264 N 0.00 0.00 -0.12 1.61 -0.00 -1.51 -0.56 116.97 116.39 3kru h TYR 264 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.67 3kru h TYR 264 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.95 3kru h TYR 264 CO 0.10 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.30 3kru n GLN 265 N -2.36 1.34 -0.10 0.10 6.02 -1.26 -4.69 117.38 116.42 3kru n GLN 265 Ca -0.02 -1.42 -0.07 0.00 -0.01 0.00 0.00 57.00 55.49 3kru n GLN 265 Cb 0.05 -1.20 0.11 0.00 1.02 0.00 0.00 30.24 30.22 3kru n GLN 265 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kru h VAL 266 N 1.77 1.26 -0.59 5.09 2.07 -1.36 -2.79 116.25 121.71 3kru h VAL 266 Ca 0.00 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3kru h VAL 266 Cb 0.51 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3kru h VAL 266 CO 0.00 0.42 0.39 0.11 0.02 0.00 0.00 177.57 178.51 3kru h LYS 267 N 0.71 0.66 -0.43 1.57 1.57 -1.84 -1.10 116.57 117.71 3kru h LYS 267 Ca 0.11 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kru h LYS 267 Cb 0.63 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3kru h LYS 267 CO 0.04 0.44 0.10 1.88 -0.57 0.00 0.00 179.45 181.34 3kru h TYR 268 N 0.68 0.73 -0.84 -1.35 0.05 -1.83 -1.48 116.97 112.93 3kru h TYR 268 Ca 0.24 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 3kru h TYR 268 Cb 0.10 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 3kru h TYR 268 CO -0.00 0.69 0.40 0.00 -1.05 0.00 0.00 178.16 178.20 3kru h ALA 269 N 0.96 1.09 -0.11 3.88 0.00 -1.24 -1.50 119.26 122.34 3kru h ALA 269 Ca 0.13 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3kru h ALA 269 Cb 0.33 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kru h ALA 269 CO 0.00 0.66 -0.78 1.05 0.00 0.00 0.00 179.25 180.18 3kru h GLU 270 N 1.21 0.64 -0.44 0.00 4.11 -0.79 -1.63 114.58 117.68 3kru h GLU 270 Ca 0.29 -0.54 -0.07 0.00 0.07 0.00 0.00 59.36 59.11 3kru h GLU 270 Cb 0.13 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3kru h GLU 270 CO -0.04 1.16 0.00 1.15 0.07 0.00 0.00 179.01 181.35 3kru h THR 271 N 0.43 1.26 -0.47 -1.06 2.02 -1.09 -0.35 112.91 113.66 3kru h THR 271 Ca -0.05 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 3kru h THR 271 Cb 1.40 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3kru h THR 271 CO 0.15 0.36 0.06 0.40 0.37 0.00 0.00 175.52 176.85 3kru h ILE 272 N 0.62 1.25 -0.38 3.11 2.04 -1.30 0.75 117.51 123.60 3kru h ILE 272 Ca 0.12 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.08 3kru h ILE 272 Cb 0.49 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3kru h ILE 272 CO 0.02 0.33 0.12 0.50 0.00 0.00 0.00 178.15 179.13 3kru h LYS 273 N 0.66 0.26 0.10 2.37 3.64 -1.06 -0.98 116.57 121.56 3kru h LYS 273 Ca 0.14 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 3kru h LYS 273 Cb 0.42 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3kru h LYS 273 CO 0.01 0.17 -0.85 -0.22 -2.27 0.00 0.00 179.45 176.29 3kru h LYS 274 N 0.27 0.40 0.01 1.90 1.63 -0.93 -1.75 116.57 118.11 3kru h LYS 274 Ca 0.17 -0.57 -0.21 0.00 -0.85 0.00 0.00 60.65 59.20 3kru h LYS 274 Cb 0.16 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3kru h LYS 274 CO -0.19 1.23 -0.93 0.00 -3.45 0.00 0.00 179.45 176.11 3kru h ARG 275 N -0.15 0.25 -0.00 1.90 3.08 -0.86 -3.30 114.38 115.30 3kru h ARG 275 Ca -0.13 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3kru h ARG 275 Cb 1.61 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.75 3kru h ARG 275 CO 0.16 1.02 -0.77 0.00 -1.07 0.00 0.00 179.97 179.31 3kru n ASN 277 N -1.23 -2.59 -4.17 0.00 5.03 -0.67 -5.00 115.26 106.63 3kru n ASN 277 Ca 0.06 -0.71 -0.16 0.00 0.87 0.00 0.00 54.58 54.64 3kru n ASN 277 Cb 0.35 -4.54 -0.11 0.00 -1.02 0.00 0.00 39.78 34.46 3kru n ASN 277 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3kru s ILE 278 N -3.47 0.98 0.47 2.41 2.07 -1.15 -5.07 121.20 117.44 3kru s ILE 278 Ca 0.16 -1.49 -0.23 0.00 -1.41 0.00 0.00 60.65 57.68 3kru s ILE 278 Cb -0.07 -1.21 -0.07 0.00 0.13 0.00 0.00 42.46 41.24 3kru s ILE 278 CO 0.77 -0.43 1.17 -0.54 -1.91 0.00 0.00 174.94 174.00 3kru s LYS 279 N -2.34 3.70 0.09 3.50 1.02 -1.26 -4.30 119.74 120.15 3kru s LYS 279 Ca 0.02 1.78 0.01 0.00 0.02 0.00 0.00 55.97 57.80 3kru s LYS 279 Cb -0.06 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3kru s LYS 279 CO 0.01 -0.60 -0.05 0.95 -0.92 0.00 0.00 175.35 174.74 3kru s THR 280 N -1.55 0.55 -0.02 2.17 -4.23 -1.26 -1.27 115.64 110.03 3kru s THR 280 Ca 0.65 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3kru s THR 280 Cb -0.29 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 3kru s THR 280 CO 0.35 -0.90 -0.12 -0.55 -0.54 0.00 0.00 174.62 172.85 3kru s SER 281 N -3.01 4.21 -0.01 3.99 0.15 -0.33 -0.21 113.70 118.49 3kru s SER 281 Ca 0.11 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3kru s SER 281 Cb 0.06 -0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 3kru s SER 281 CO -0.06 0.32 0.05 0.00 1.20 0.00 0.00 173.24 174.74 3kru s ALA 282 N -0.84 3.45 -0.05 5.45 0.00 -0.66 -1.89 121.76 127.22 3kru s ALA 282 Ca 0.14 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 3kru s ALA 282 Cb -0.11 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.56 3kru s ALA 282 CO 0.03 0.67 0.38 0.54 0.00 0.00 0.00 175.76 177.38 3kru s VAL 283 N -1.13 0.04 0.00 0.00 0.11 -1.26 -0.53 120.40 117.63 3kru s VAL 283 Ca 0.21 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3kru s VAL 283 Cb -0.12 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3kru s VAL 283 CO 0.12 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 3kru n GLY 284 N 1.60 2.38 2.55 6.54 0.00 -1.26 -4.36 105.19 112.64 3kru n GLY 284 Ca -0.19 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3kru n GLY 284 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kru n LEU 285 N 0.00 -2.14 -4.64 0.99 4.77 -1.26 -1.91 117.00 112.81 3kru n LEU 285 Ca 0.00 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 3kru n LEU 285 Cb 0.00 -2.97 -0.07 0.00 -2.33 0.00 0.00 43.42 38.05 3kru n LEU 285 CO 0.00 -0.11 0.17 -0.63 -1.33 0.00 0.00 177.39 175.49 3kru s ILE 286 N -3.08 5.13 0.00 -0.08 1.01 -1.26 -4.12 121.20 118.80 3kru s ILE 286 Ca 0.07 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.53 3kru s ILE 286 Cb -0.03 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3kru s ILE 286 CO 0.09 0.17 0.00 0.35 0.00 0.00 0.00 174.94 175.55 3kru n THR 287 N 4.73 0.00 -3.98 2.92 -2.24 -1.26 -4.74 114.28 109.70 3kru n THR 287 Ca -0.06 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3kru n THR 287 Cb 0.50 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 3kru n THR 287 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kru s THR 288 N -0.76 5.10 0.29 4.28 -4.23 -1.26 -5.00 115.64 114.06 3kru s THR 288 Ca 0.00 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 3kru s THR 288 Cb 0.00 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3kru s THR 288 CO 0.00 0.27 1.89 -0.61 -0.54 0.00 0.00 174.62 175.63 3kru h GLN 289 N 3.67 1.01 0.14 3.99 4.15 -1.99 -1.85 115.11 124.23 3kru h GLN 289 Ca -0.48 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 58.89 3kru h GLN 289 Cb 1.18 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3kru h GLN 289 CO 0.68 0.67 -0.15 1.49 -1.93 0.00 0.00 178.83 179.59 3kru h GLU 290 N 1.04 -0.31 -0.43 1.69 4.81 -1.99 0.04 114.58 119.43 3kru h GLU 290 Ca 0.42 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 3kru h GLU 290 Cb 0.27 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3kru h GLU 290 CO -0.17 -0.21 -0.22 1.25 -0.73 0.00 0.00 179.01 178.93 3kru h LEU 291 N -0.32 0.88 -0.50 1.64 5.85 -1.95 -1.31 115.31 119.60 3kru h LEU 291 Ca 0.01 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3kru h LEU 291 Cb 0.31 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3kru h LEU 291 CO -0.05 1.07 0.19 0.00 -0.34 0.00 0.00 178.44 179.32 3kru h ALA 292 N 0.99 0.62 -0.57 1.25 0.00 -1.02 -1.11 119.26 119.43 3kru h ALA 292 Ca 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3kru h ALA 292 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kru h ALA 292 CO 0.06 -0.20 0.02 0.93 0.00 0.00 0.00 179.25 180.07 3kru h GLU 293 N 0.38 1.00 -0.53 0.00 5.08 -0.77 -2.36 114.58 117.38 3kru h GLU 293 Ca 0.24 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kru h GLU 293 Cb 0.24 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3kru h GLU 293 CO -0.23 0.98 0.34 1.49 -1.00 0.00 0.00 179.01 180.59 3kru h GLU 294 N 0.89 0.67 -0.18 2.33 4.22 -0.89 0.13 114.58 121.75 3kru h GLU 294 Ca 0.16 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.57 3kru h GLU 294 Cb 0.52 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kru h GLU 294 CO 0.03 0.45 0.10 0.82 -2.18 0.00 0.00 179.01 178.23 3kru h ILE 295 N 0.69 1.02 -0.18 2.32 2.04 -0.96 -0.91 117.51 121.54 3kru h ILE 295 Ca 0.20 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 3kru h ILE 295 Cb -0.05 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3kru h ILE 295 CO -0.06 0.04 -0.38 -0.07 0.00 0.00 0.00 178.15 177.68 3kru h LEU 296 N 0.22 0.64 -0.78 1.44 3.38 -1.30 -1.02 115.31 117.89 3kru h LEU 296 Ca 0.07 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 3kru h LEU 296 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kru h LEU 296 CO -0.03 1.08 -0.38 0.28 0.09 0.00 0.00 178.44 179.48 3kru h SER 297 N 0.22 0.50 -0.13 -0.43 0.02 -0.87 -2.19 113.55 110.67 3kru h SER 297 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3kru h SER 297 Cb 0.98 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3kru h SER 297 CO 0.08 0.83 0.00 0.59 -1.14 0.00 0.00 176.83 177.20 3kru n ASN 298 N -4.04 0.76 -3.67 3.07 3.02 -0.35 -4.92 115.26 109.12 3kru n ASN 298 Ca -0.01 -1.92 -0.25 0.00 -0.03 0.00 0.00 54.58 52.36 3kru n ASN 298 Cb 0.49 -0.09 0.07 0.00 -0.61 0.00 0.00 39.78 39.64 3kru n ASN 298 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kru n GLU 299 N -0.12 -7.47 0.09 3.52 1.02 -0.82 -4.89 120.64 111.97 3kru n GLU 299 Ca 0.07 0.78 0.07 0.00 -0.02 0.00 0.00 57.16 58.05 3kru n GLU 299 Cb 0.13 -5.80 -0.01 0.00 -0.02 0.00 0.00 31.44 25.74 3kru n GLU 299 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kru h ARG 300 N -2.58 0.00 -2.90 3.49 3.08 -1.41 -3.48 114.38 110.58 3kru h ARG 300 Ca -0.57 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.53 3kru h ARG 300 Cb 1.37 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.34 3kru h ARG 300 CO 0.59 0.15 0.26 0.00 -1.07 0.00 0.00 179.97 179.89 3kru s ALA 301 N -3.16 -1.43 -0.13 0.04 0.00 -1.24 -2.27 121.76 113.58 3kru s ALA 301 Ca -0.00 0.09 0.18 0.00 0.00 0.00 0.00 51.96 52.23 3kru s ALA 301 Cb 0.09 0.82 -0.24 0.00 0.00 0.00 0.00 23.12 23.79 3kru s ALA 301 CO 0.78 -0.92 0.39 -0.25 0.00 0.00 0.00 175.76 175.76 3kru n ASP 302 N -0.42 0.28 -4.20 0.00 8.00 0.71 -4.51 116.55 116.42 3kru n ASP 302 Ca -0.09 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.34 3kru n ASP 302 Cb 0.61 0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 42.51 3kru n ASP 302 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kru s LEU 303 N -5.40 2.28 -0.21 0.64 1.43 -1.01 -4.88 118.68 111.53 3kru s LEU 303 Ca -0.07 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 3kru s LEU 303 Cb 0.09 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 3kru s LEU 303 CO 0.84 -0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 176.66 3kru s VAL 304 N -1.23 3.59 -0.19 -1.59 1.01 0.02 -1.65 120.40 120.36 3kru s VAL 304 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3kru s VAL 304 Cb -0.10 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3kru s VAL 304 CO 0.03 0.43 0.14 0.00 0.00 0.00 0.00 175.10 175.70 3kru s ALA 305 N 1.20 3.69 -0.13 5.51 0.00 0.31 -1.26 121.76 131.09 3kru s ALA 305 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3kru s ALA 305 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 3kru s ALA 305 CO -0.00 0.18 -0.11 -0.51 0.00 0.00 0.00 175.76 175.31 3kru s LEU 306 N 0.30 2.82 0.00 0.00 1.43 -0.17 -4.42 118.68 118.64 3kru s LEU 306 Ca 0.09 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3kru s LEU 306 Cb -0.11 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3kru s LEU 306 CO -0.01 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3kru n GLY 307 N 3.39 0.11 0.33 -3.19 0.00 -1.26 -0.94 105.19 103.64 3kru n GLY 307 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3kru n GLY 307 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kru h ARG 308 N 0.00 0.46 -0.76 1.61 3.08 -1.95 -0.86 114.38 115.95 3kru h ARG 308 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3kru h ARG 308 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3kru h ARG 308 CO 0.00 0.30 0.50 1.49 -1.07 0.00 0.00 179.97 181.19 3kru h GLU 309 N 0.47 1.01 0.00 0.04 4.57 -1.88 -1.13 114.58 117.66 3kru h GLU 309 Ca 0.22 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3kru h GLU 309 Cb 0.26 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3kru h GLU 309 CO -0.06 0.67 0.00 -0.07 -1.18 0.00 0.00 179.01 178.37 3kru h LEU 310 N 1.04 0.00 -0.07 1.64 3.38 -1.37 0.95 115.31 120.87 3kru h LEU 310 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 3kru h LEU 310 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kru h LEU 310 CO -0.06 0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.22 3kru h LEU 311 N 0.00 0.29 0.00 1.67 3.38 -1.00 -3.22 115.31 116.43 3kru h LEU 311 Ca 0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3kru h LEU 311 Cb 0.64 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kru h LEU 311 CO 0.00 0.83 -0.59 0.08 0.09 0.00 0.00 178.44 178.85 3kru h ARG 312 N -0.24 0.00 -2.01 1.13 0.11 -1.33 -3.40 114.38 108.64 3kru h ARG 312 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 3kru h ARG 312 Cb 0.79 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.48 3kru h ARG 312 CO 0.04 0.05 -1.10 -1.71 0.10 0.00 0.00 179.97 177.34 3kru n ASN 313 N -2.90 0.47 0.30 0.08 5.15 0.32 -4.99 115.26 113.69 3kru n ASN 313 Ca 0.01 -2.79 0.16 0.00 -0.60 0.00 0.00 54.58 51.36 3kru n ASN 313 Cb 0.57 -0.64 0.92 0.00 -0.53 0.00 0.00 39.78 40.10 3kru n ASN 313 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3kru h PRO 314 N 3.81 0.00 -0.67 1.20 0.13 -1.76 -2.15 132.00 132.57 3kru h PRO 314 Ca 0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 3kru h PRO 314 Cb 0.89 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.92 3kru h PRO 314 CO 0.49 0.03 0.19 0.66 -0.23 0.00 0.00 178.00 179.14 3kru n TYR 315 N -3.64 2.27 -0.30 1.56 4.02 -1.26 -4.49 117.16 115.32 3kru n TYR 315 Ca -0.03 -1.11 0.08 0.00 -0.01 0.00 0.00 57.90 56.84 3kru n TYR 315 Cb 0.13 -0.63 0.20 0.00 -0.02 0.00 0.00 39.34 39.02 3kru n TYR 315 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3kru h TRP 316 N 2.84 -0.12 -0.59 -0.72 7.01 -1.62 -0.84 115.95 121.92 3kru h TRP 316 Ca 0.20 0.07 -0.10 0.00 2.11 0.00 0.00 58.89 61.16 3kru h TRP 316 Cb 2.20 0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 29.44 3kru h TRP 316 CO 1.20 -0.33 -0.03 0.28 -2.79 0.00 0.00 178.44 176.77 3kru h VAL 317 N 0.06 1.27 -0.78 2.65 2.07 -1.83 -2.62 116.25 117.06 3kru h VAL 317 Ca 0.48 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.89 3kru h VAL 317 Cb 0.89 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3kru h VAL 317 CO -0.80 0.43 0.51 -0.07 0.02 0.00 0.00 177.57 177.65 3kru h LEU 318 N 0.95 0.72 -1.27 2.57 3.38 -0.99 -0.68 115.31 120.00 3kru h LEU 318 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kru h LEU 318 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kru h LEU 318 CO 0.04 0.46 0.00 0.45 0.09 0.00 0.00 178.44 179.48 3kru h HIS 319 N 0.82 0.00 0.00 1.13 3.86 -1.19 -2.05 115.15 117.71 3kru h HIS 319 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3kru h HIS 319 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kru h HIS 319 CO -0.00 0.00 -0.40 0.25 0.86 0.00 0.00 177.93 178.64 3kru n THR 320 N -2.68 0.22 -2.46 2.45 -2.24 -0.26 -4.92 114.28 104.38 3kru n THR 320 Ca 0.01 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 3kru n THR 320 Cb 0.24 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 3kru n THR 320 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kru s TYR 321 N -3.08 3.20 -1.82 4.78 2.02 -0.77 -4.90 117.35 116.78 3kru s TYR 321 Ca 0.10 1.62 0.15 0.00 -0.37 0.00 0.00 57.07 58.57 3kru s TYR 321 Cb 0.15 -3.21 0.18 0.00 -0.40 0.00 0.00 41.96 38.69 3kru s TYR 321 CO 0.66 -0.85 1.06 0.25 -1.57 0.00 0.00 175.55 175.11 3kru n THR 322 N -0.06 0.19 -4.00 -0.71 -2.24 -1.26 -4.95 114.28 101.26 3kru n THR 322 Ca 0.05 -0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 3kru n THR 322 Cb 0.49 1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 69.75 3kru n THR 322 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kru s SER 323 N -1.24 0.29 0.48 3.42 0.15 -1.26 -5.04 113.70 110.50 3kru s SER 323 Ca 0.21 -0.10 0.19 0.00 0.70 0.00 0.00 55.95 56.95 3kru s SER 323 Cb 0.14 -0.02 1.19 0.00 -1.71 0.00 0.00 66.02 65.62 3kru s SER 323 CO 0.20 -0.01 2.04 0.07 1.20 0.00 0.00 173.24 176.75 3kru h LYS 324 N 5.92 0.00 0.00 5.44 2.10 -1.92 -2.14 116.57 125.97 3kru h LYS 324 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3kru h LYS 324 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3kru h LYS 324 CO 0.50 0.14 0.00 0.39 -2.00 0.00 0.00 179.45 178.48 3kru n GLU 325 N -4.14 0.16 0.19 0.07 -0.58 -1.26 -1.79 120.64 113.28 3kru n GLU 325 Ca -0.02 0.48 0.12 0.00 -0.42 0.00 0.00 57.16 57.31 3kru n GLU 325 Cb 0.22 -1.86 0.17 0.00 -0.57 0.00 0.00 31.44 29.40 3kru n GLU 325 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3kru h ASP 326 N 0.00 0.00 -4.28 1.62 3.32 -1.82 -3.46 116.42 111.79 3kru h ASP 326 Ca 0.00 -0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.54 3kru h ASP 326 Cb 0.24 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.85 3kru h ASP 326 CO 0.00 0.00 0.38 0.26 -1.72 0.00 0.00 179.24 178.17 3kru s TRP 327 N -3.22 3.26 0.36 4.55 0.52 -0.74 -5.01 118.94 118.66 3kru s TRP 327 Ca 0.06 1.42 -0.28 0.00 0.02 0.00 0.00 56.10 57.33 3kru s TRP 327 Cb 0.07 -2.86 -0.12 0.00 -1.15 0.00 0.00 33.47 29.41 3kru s TRP 327 CO 0.68 -0.93 1.33 -2.30 0.02 0.00 0.00 176.95 175.75 3kru n PRO 328 N -2.52 2.23 -0.21 4.98 -0.02 -1.26 -4.78 135.00 133.42 3kru n PRO 328 Ca 0.07 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.38 3kru n PRO 328 Cb 0.54 -2.42 0.31 0.00 -0.02 0.00 0.00 33.50 31.90 3kru n PRO 328 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kru h LYS 329 N 2.56 0.84 0.00 -0.52 1.63 -1.93 0.04 116.57 119.20 3kru h LYS 329 Ca -0.47 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 3kru h LYS 329 Cb 1.28 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3kru h LYS 329 CO 0.62 0.56 -0.01 1.96 -3.45 0.00 0.00 179.45 179.13 3kru h GLN 330 N 0.87 0.00 -0.16 1.90 7.50 -2.01 -2.86 115.11 120.35 3kru h GLN 330 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 3kru h GLN 330 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.66 3kru h GLN 330 CO -0.10 0.01 0.00 0.66 -1.50 0.00 0.00 178.83 177.90 3kru n TYR 331 N -3.97 0.20 0.27 2.96 4.01 -0.04 -4.68 117.16 115.92 3kru n TYR 331 Ca -0.03 -0.21 0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3kru n TYR 331 Cb 0.09 -0.01 0.78 0.00 -0.31 0.00 0.00 39.34 39.89 3kru n TYR 331 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 3kru h GLU 332 N 2.24 0.00 0.00 -0.72 4.11 -1.21 0.12 114.58 119.12 3kru h GLU 332 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kru h GLU 332 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3kru h GLU 332 CO 0.00 0.04 0.00 0.00 0.07 0.00 0.00 179.01 179.12 3kru h ARG 333 N 0.00 0.00 -0.01 1.06 2.47 -1.83 -2.32 114.38 113.75 3kru h ARG 333 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kru h ARG 333 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3kru h ARG 333 CO 0.01 0.00 -0.36 0.00 0.56 0.00 0.00 179.97 180.17 3kru n ALA 334 N -1.88 3.31 -1.81 0.04 0.00 0.40 -4.92 120.51 115.66 3kru n ALA 334 Ca -0.01 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 3kru n ALA 334 Cb 0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 3kru n ALA 334 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kru s PHE 335 N -2.54 2.88 0.00 0.00 5.36 -0.88 -5.18 117.98 117.62 3kru s PHE 335 Ca 0.21 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 3kru s PHE 335 Cb 0.19 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 3kru s PHE 335 CO 0.56 -3.45 0.22 0.36 -1.46 0.00 0.00 175.22 171.44