#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u10 n THR 21 N 0.00 1.02 0.25 0.00 -2.24 -1.26 -4.84 114.28 107.22 1u10 n THR 21 Ca 0.00 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1u10 n THR 21 Cb 0.00 -0.68 0.66 0.00 -2.10 0.00 0.00 70.33 68.21 1u10 n THR 21 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1u10 h PRO 22 N -0.88 0.00 -0.27 -0.78 0.11 -2.00 -1.97 132.00 126.21 1u10 h PRO 22 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1u10 h PRO 22 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1u10 h PRO 22 CO 0.39 0.10 -0.35 -1.49 -0.21 0.00 0.00 178.00 176.44 1u10 h TRP 23 N 0.00 0.69 -0.00 0.65 4.06 -1.90 -2.40 115.95 117.05 1u10 h TRP 23 Ca -0.00 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1u10 h TRP 23 Cb 0.21 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1u10 h TRP 23 CO 0.00 0.86 0.00 1.04 -3.56 0.00 0.00 178.44 176.78 1u10 n GLN 24 N -4.06 1.09 -0.04 0.49 6.02 -0.75 -3.89 117.38 116.25 1u10 n GLN 24 Ca -0.01 -0.13 -0.05 0.00 -0.01 0.00 0.00 57.00 56.79 1u10 n GLN 24 Cb 0.48 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 1u10 n GLN 24 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1u10 n LYS 25 N -0.83 1.58 -1.60 -1.09 5.02 -1.10 -4.89 118.16 115.25 1u10 n LYS 25 Ca 0.23 0.02 -0.49 0.00 -2.02 0.00 0.00 58.31 56.06 1u10 n LYS 25 Cb 0.14 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1u10 n LYS 25 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1u10 n ILE 26 N -2.51 0.58 0.10 -0.18 3.06 -0.92 -4.89 119.36 114.59 1u10 n ILE 26 Ca -0.14 -0.14 0.08 0.00 -2.50 0.00 0.00 62.75 60.04 1u10 n ILE 26 Cb 0.71 -1.00 -0.11 0.00 0.54 0.00 0.00 39.64 39.78 1u10 n ILE 26 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1u10 n THR 27 N 2.01 0.00 -4.53 9.51 -2.24 -1.26 -4.63 114.28 113.14 1u10 n THR 27 Ca 0.16 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 1u10 n THR 27 Cb 0.24 0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1u10 n THR 27 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1u10 s GLN 28 N -2.97 1.65 0.96 -0.78 -1.52 -1.26 -4.90 119.66 110.83 1u10 s GLN 28 Ca -0.04 -1.22 -0.11 0.00 -1.95 0.00 0.00 55.36 52.04 1u10 s GLN 28 Cb 0.10 -1.99 0.16 0.00 -0.22 0.00 0.00 33.01 31.06 1u10 s GLN 28 CO 0.64 0.48 1.09 -2.14 -0.25 0.00 0.00 175.29 175.11 1u10 s PRO 29 N -1.80 0.75 -0.02 2.91 0.02 -1.26 -4.75 135.00 130.85 1u10 s PRO 29 Ca 0.14 1.03 -0.25 0.00 0.02 0.00 0.00 61.00 61.95 1u10 s PRO 29 Cb -0.10 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1u10 s PRO 29 CO 0.06 -2.65 0.76 0.08 -0.33 0.00 0.00 177.00 174.92 1u10 s VAL 30 N -2.75 4.91 0.38 3.83 1.01 -1.26 -4.95 120.40 121.57 1u10 s VAL 30 Ca 0.65 1.59 -0.28 0.00 0.00 0.00 0.00 61.98 63.94 1u10 s VAL 30 Cb -0.21 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 1u10 s VAL 30 CO 0.59 0.28 1.47 -2.84 0.00 0.00 0.00 175.10 174.60 1u10 s PRO 31 N 0.51 4.09 0.00 2.72 0.02 -1.26 0.09 135.00 141.18 1u10 s PRO 31 Ca 0.40 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1u10 s PRO 31 Cb -0.19 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1u10 s PRO 31 CO 0.21 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1u10 n GLY 32 N 0.49 0.82 3.73 0.52 0.00 -1.26 -4.48 105.19 105.00 1u10 n GLY 32 Ca 0.01 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1u10 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u10 s SER 33 N -3.04 6.71 0.12 1.61 0.01 -1.26 -4.37 113.70 113.48 1u10 s SER 33 Ca 0.00 2.51 -0.31 0.00 1.31 0.00 0.00 55.95 59.46 1u10 s SER 33 Cb 0.00 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 1u10 s SER 33 CO 0.00 -0.70 1.76 0.00 0.41 0.00 0.00 173.24 174.71 1u10 s ALA 34 N 0.70 3.77 -0.12 1.44 0.00 -1.26 -4.29 121.76 122.00 1u10 s ALA 34 Ca 0.64 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.96 1u10 s ALA 34 Cb -0.40 -3.73 0.06 0.00 0.00 0.00 0.00 23.12 19.04 1u10 s ALA 34 CO 0.35 -1.14 0.25 -0.65 0.00 0.00 0.00 175.76 174.57 1u10 s GLN 35 N 2.46 0.17 -0.21 0.00 -1.52 0.14 -4.84 119.66 115.85 1u10 s GLN 35 Ca 0.78 0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 54.66 1u10 s GLN 35 Cb -0.45 -0.08 -0.03 0.00 -0.22 0.00 0.00 33.01 32.23 1u10 s GLN 35 CO 0.35 -0.24 0.54 -1.12 -0.25 0.00 0.00 175.29 174.57 1u10 s SER 36 N 1.94 6.56 -0.16 5.90 0.01 -1.26 -0.39 113.70 126.31 1u10 s SER 36 Ca -0.03 0.68 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 1u10 s SER 36 Cb -0.11 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 1u10 s SER 36 CO -0.08 -0.22 -0.12 -0.63 0.41 0.00 0.00 173.24 172.60 1u10 s ILE 37 N 1.83 3.04 0.00 1.44 1.01 0.13 -3.62 121.20 125.03 1u10 s ILE 37 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1u10 s ILE 37 Cb -0.16 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1u10 s ILE 37 CO 0.10 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1u10 n GLY 38 N 3.92 0.00 3.60 6.18 0.00 0.58 -0.64 105.19 118.83 1u10 n GLY 38 Ca -0.18 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 1u10 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u10 s SER 39 N -4.00 4.02 0.43 1.61 1.04 -0.86 -0.18 113.70 115.77 1u10 s SER 39 Ca 0.00 -1.05 0.23 0.00 0.48 0.00 0.00 55.95 55.61 1u10 s SER 39 Cb 0.00 -0.47 1.22 0.00 0.10 0.00 0.00 66.02 66.87 1u10 s SER 39 CO 0.00 -0.21 1.78 -0.26 0.98 0.00 0.00 173.24 175.53 1u10 h PHE 40 N 1.90 0.50 -0.51 5.02 0.04 -1.94 -0.95 116.94 121.00 1u10 h PHE 40 Ca -0.42 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1u10 h PHE 40 Cb 1.25 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1u10 h PHE 40 CO 0.73 0.03 0.00 0.43 -0.60 0.00 0.00 178.31 178.90 1u10 n SER 41 N -4.53 3.75 -2.85 2.17 7.64 -1.26 -2.30 113.62 116.24 1u10 n SER 41 Ca 0.26 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1u10 n SER 41 Cb 0.98 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 1u10 n SER 41 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1u10 s ASN 42 N -1.09 -0.68 0.00 6.43 2.47 -0.36 -4.90 114.94 116.81 1u10 s ASN 42 Ca 0.39 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1u10 s ASN 42 Cb 0.23 0.87 0.00 0.00 -1.45 0.00 0.00 41.25 40.90 1u10 s ASN 42 CO 0.22 -0.06 0.00 0.61 -3.72 0.00 0.00 177.10 174.14 1u10 n GLY 43 N 3.62 0.75 1.08 1.21 0.00 -1.19 -2.03 105.19 108.62 1u10 n GLY 43 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1u10 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u10 s ILE 45 N -2.70 -0.01 0.00 0.00 2.07 -0.62 0.19 121.20 120.14 1u10 s ILE 45 Ca 0.05 0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1u10 s ILE 45 Cb -0.01 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1u10 s ILE 45 CO 0.03 0.02 0.10 -0.69 -1.91 0.00 0.00 174.94 172.49 1u10 s VAL 46 N 0.83 4.81 -1.51 4.00 1.01 0.48 -4.39 120.40 125.63 1u10 s VAL 46 Ca -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1u10 s VAL 46 Cb -0.06 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1u10 s VAL 46 CO -0.06 0.32 0.07 0.61 0.00 0.00 0.00 175.10 176.04 1u10 n GLY 47 N 1.07 -0.37 3.59 4.51 0.00 0.11 -0.68 105.19 113.41 1u10 n GLY 47 Ca -0.12 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1u10 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u10 n ALA 48 N -2.06 -0.87 -2.38 4.61 0.00 -1.26 -4.11 120.51 114.44 1u10 n ALA 48 Ca -0.20 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 1u10 n ALA 48 Cb 0.66 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1u10 n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u10 s ASP 49 N -1.95 5.25 -0.10 0.00 2.15 0.39 -4.84 116.67 117.57 1u10 s ASP 49 Ca 0.68 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 53.11 1u10 s ASP 49 Cb -0.29 -0.83 -0.02 0.00 -0.30 0.00 0.00 42.92 41.47 1u10 s ASP 49 CO 0.56 -0.48 -0.12 -0.89 -0.17 0.00 0.00 175.17 174.07 1u10 s THR 50 N -2.36 3.23 -0.14 1.71 2.01 -1.26 -1.71 115.64 117.12 1u10 s THR 50 Ca 0.44 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1u10 s THR 50 Cb -0.05 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1u10 s THR 50 CO 0.27 0.55 1.04 -0.22 -0.69 0.00 0.00 174.62 175.58 1u10 s LEU 51 N -0.16 4.21 0.11 4.42 2.96 -0.80 -4.96 118.68 124.45 1u10 s LEU 51 Ca 0.00 1.52 -0.33 0.00 -0.22 0.00 0.00 54.13 55.11 1u10 s LEU 51 Cb -0.13 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.88 1u10 s LEU 51 CO 0.03 -0.53 1.75 -2.65 -1.32 0.00 0.00 176.35 173.63 1u10 n PRO 52 N 5.42 2.46 -0.14 0.98 -0.02 -1.26 -4.88 135.00 137.55 1u10 n PRO 52 Ca 0.10 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1u10 n PRO 52 Cb 0.48 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.24 1u10 n PRO 52 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1u10 h ILE 53 N 4.36 1.10 -3.42 4.25 1.08 -1.98 -3.41 117.51 119.49 1u10 h ILE 53 Ca -0.46 -0.20 -0.60 0.00 -0.39 0.00 0.00 64.86 63.21 1u10 h ILE 53 Cb 1.24 0.46 -0.10 0.00 -3.07 0.00 0.00 36.82 35.36 1u10 h ILE 53 CO 0.93 0.11 0.14 -1.10 -0.69 0.00 0.00 178.15 177.53 1u10 s GLN 54 N -6.16 4.20 0.02 2.37 -1.52 -1.26 -4.51 119.66 112.80 1u10 s GLN 54 Ca -0.13 0.62 -0.17 0.00 -1.95 0.00 0.00 55.36 53.73 1u10 s GLN 54 Cb 0.11 -3.59 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1u10 s GLN 54 CO 0.73 -0.27 0.37 0.45 -0.25 0.00 0.00 175.29 176.32 1u10 s SER 55 N 1.24 -0.24 0.34 5.90 0.15 -1.26 -5.04 113.70 114.79 1u10 s SER 55 Ca 0.29 0.01 0.18 0.00 0.70 0.00 0.00 55.95 57.13 1u10 s SER 55 Cb -0.16 0.38 0.17 0.00 -1.71 0.00 0.00 66.02 64.71 1u10 s SER 55 CO 0.10 -0.59 1.50 -0.33 1.20 0.00 0.00 173.24 175.12 1u10 h GLU 56 N 3.30 0.00 0.00 5.44 4.39 -2.00 -3.36 114.58 122.36 1u10 h GLU 56 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1u10 h GLU 56 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1u10 h GLU 56 CO 0.43 0.29 -1.37 0.72 -1.16 0.00 0.00 179.01 177.91 1u10 n HIS 57 N -3.16 0.00 -3.90 4.33 8.25 -1.26 -4.99 115.22 114.48 1u10 n HIS 57 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1u10 n HIS 57 Cb 0.65 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 1u10 n HIS 57 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1u10 s TYR 58 N -3.13 0.27 0.05 4.41 -0.85 -1.26 -1.83 117.35 115.01 1u10 s TYR 58 Ca 0.01 -0.63 0.04 0.00 -0.52 0.00 0.00 57.07 55.98 1u10 s TYR 58 Cb 0.14 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 1u10 s TYR 58 CO 0.84 -0.76 -0.12 -0.65 -1.52 0.00 0.00 175.55 173.34 1u10 s GLN 59 N -3.94 0.74 0.38 -3.49 -0.21 -0.21 -4.14 119.66 108.78 1u10 s GLN 59 Ca 0.15 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 54.75 1u10 s GLN 59 Cb 0.02 -0.68 0.05 0.00 1.00 0.00 0.00 33.01 33.41 1u10 s GLN 59 CO -0.01 0.15 0.45 0.28 -2.12 0.00 0.00 175.29 174.04 1u10 n VAL 60 N 1.51 0.00 -0.36 1.09 0.31 -1.26 -1.28 118.33 118.34 1u10 n VAL 60 Ca -0.21 -1.32 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 1u10 n VAL 60 Cb 0.54 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1u10 n VAL 60 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u10 n ARG 62 N -1.68 -0.19 0.33 5.55 1.74 0.42 -4.85 116.66 117.97 1u10 n ARG 62 Ca 0.07 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.33 1u10 n ARG 62 Cb 0.40 0.00 0.97 0.00 -1.02 0.00 0.00 32.46 32.81 1u10 n ARG 62 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1u10 h THR 63 N 0.07 0.03 0.00 0.55 1.35 -1.91 0.11 112.91 113.11 1u10 h THR 63 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1u10 h THR 63 Cb 0.00 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1u10 h THR 63 CO 0.00 0.00 -0.06 -2.24 -0.25 0.00 0.00 175.52 172.97 1u10 h ASP 64 N 0.00 0.00 1.10 5.36 2.03 -1.96 -1.86 116.42 121.08 1u10 h ASP 64 Ca 0.01 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.25 1u10 h ASP 64 Cb 0.41 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.90 1u10 h ASP 64 CO -0.00 0.06 -0.29 1.56 -1.03 0.00 0.00 179.24 179.55 1u10 h GLN 65 N 0.00 0.00 -4.97 4.15 4.20 -1.20 -3.47 115.11 113.81 1u10 h GLN 65 Ca -0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1u10 h GLN 65 Cb 0.29 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.21 1u10 h GLN 65 CO 0.01 0.29 -0.62 0.54 -0.67 0.00 0.00 178.83 178.38 1u10 n ARG 66 N -3.35 -5.52 -2.13 1.46 1.74 -0.70 -4.94 116.66 103.21 1u10 n ARG 66 Ca 0.01 0.69 -0.24 0.00 -0.77 0.00 0.00 57.85 57.54 1u10 n ARG 66 Cb 0.51 -5.25 0.02 0.00 -1.02 0.00 0.00 32.46 26.72 1u10 n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1u10 n ARG 67 N -3.62 3.51 -1.38 5.56 1.74 -1.26 -4.35 116.66 116.86 1u10 n ARG 67 Ca -0.21 -4.20 -0.17 0.00 -0.77 0.00 0.00 57.85 52.51 1u10 n ARG 67 Cb 0.63 -2.24 0.11 0.00 -1.02 0.00 0.00 32.46 29.93 1u10 n ARG 67 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1u10 n TYR 68 N -0.66 2.05 -4.37 -1.55 0.18 -1.22 -2.88 117.16 108.71 1u10 n TYR 68 Ca 0.42 -2.10 -0.25 0.00 1.88 0.00 0.00 57.90 57.85 1u10 n TYR 68 Cb 0.91 -0.58 -0.09 0.00 -0.38 0.00 0.00 39.34 39.20 1u10 n TYR 68 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1u10 s PHE 69 N -3.49 2.49 -0.53 -3.48 0.08 -1.06 -1.90 117.98 110.09 1u10 s PHE 69 Ca 0.50 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.28 1u10 s PHE 69 Cb 0.42 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 1u10 s PHE 69 CO 0.01 0.60 0.00 0.41 -0.10 0.00 0.00 175.22 176.14 1u10 n GLY 70 N -0.36 -1.26 3.78 4.36 0.00 -0.70 -1.54 105.19 109.47 1u10 n GLY 70 Ca -0.08 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1u10 n GLY 70 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1u10 s HIS 71 N -2.76 2.77 0.45 1.61 2.46 -0.13 0.15 115.29 119.84 1u10 s HIS 71 Ca 0.00 1.55 0.16 0.00 0.47 0.00 0.00 55.06 57.24 1u10 s HIS 71 Cb 0.00 -3.19 1.10 0.00 -0.13 0.00 0.00 32.58 30.36 1u10 s HIS 71 CO 0.00 -1.37 1.96 -1.35 -2.47 0.00 0.00 174.74 171.51 1u10 h PRO 72 N 1.01 0.33 -0.89 2.88 0.11 -1.89 0.58 132.00 134.14 1u10 h PRO 72 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1u10 h PRO 72 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1u10 h PRO 72 CO 0.57 0.22 0.51 -0.44 -0.21 0.00 0.00 178.00 178.65 1u10 h ASP 73 N 0.34 1.09 -0.58 -2.05 5.19 -1.91 -2.53 116.42 115.98 1u10 h ASP 73 Ca 0.30 -0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.52 1u10 h ASP 73 Cb 0.72 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1u10 h ASP 73 CO -0.08 0.86 -0.06 0.25 -3.12 0.00 0.00 179.24 177.10 1u10 h LEU 74 N 1.24 1.05 -1.16 1.55 5.85 -1.15 -0.99 115.31 121.70 1u10 h LEU 74 Ca 0.32 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1u10 h LEU 74 Cb -0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.74 1u10 h LEU 74 CO -0.05 1.13 0.00 0.52 -0.34 0.00 0.00 178.44 179.70 1u10 n VAL 75 N -4.16 0.03 0.00 1.05 0.31 -0.69 -1.60 118.33 113.27 1u10 n VAL 75 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1u10 n VAL 75 Cb 0.38 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1u10 n VAL 75 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1u10 n PHE 77 N 0.48 0.00 -0.30 3.52 7.35 -0.38 -1.92 117.46 126.22 1u10 n PHE 77 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1u10 n PHE 77 Cb 0.05 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.01 1u10 n PHE 77 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1u10 h ILE 78 N 0.00 1.07 -0.38 -2.13 2.04 -1.57 0.66 117.51 117.21 1u10 h ILE 78 Ca 0.00 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1u10 h ILE 78 Cb 0.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1u10 h ILE 78 CO 0.00 0.18 -0.03 1.56 0.00 0.00 0.00 178.15 179.86 1u10 h GLN 79 N 0.97 0.69 0.26 2.37 4.20 -1.66 -0.68 115.11 121.26 1u10 h GLN 79 Ca 0.35 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1u10 h GLN 79 Cb 0.10 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1u10 h GLN 79 CO -0.15 0.81 -0.19 -0.09 -0.67 0.00 0.00 178.83 178.54 1u10 h ARG 80 N 0.50 -0.44 0.06 1.46 2.43 -1.71 -0.77 114.38 115.91 1u10 h ARG 80 Ca 0.10 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1u10 h ARG 80 Cb 0.52 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1u10 h ARG 80 CO 0.03 -0.29 -0.03 1.25 -1.51 0.00 0.00 179.97 179.41 1u10 h LEU 81 N -0.45 -0.07 -0.84 3.80 5.85 -0.85 -2.38 115.31 120.36 1u10 h LEU 81 Ca -0.02 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1u10 h LEU 81 Cb 0.40 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1u10 h LEU 81 CO -0.00 0.04 0.53 0.28 -0.34 0.00 0.00 178.44 178.95 1u10 h SER 82 N -0.18 0.88 0.18 1.25 0.02 -1.10 -1.40 113.55 113.21 1u10 h SER 82 Ca -0.01 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1u10 h SER 82 Cb 0.15 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1u10 h SER 82 CO 0.01 0.60 -0.29 -1.28 -1.14 0.00 0.00 176.83 174.73 1u10 h SER 83 N 1.03 -0.80 0.06 3.07 0.87 -1.02 -0.56 113.55 116.19 1u10 h SER 83 Ca 0.34 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 61.01 1u10 h SER 83 Cb 0.04 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1u10 h SER 83 CO -0.13 -0.39 -0.24 1.56 -0.53 0.00 0.00 176.83 177.11 1u10 h GLN 84 N -0.54 -0.39 -0.98 2.24 4.20 -0.93 -0.24 115.11 118.48 1u10 h GLN 84 Ca 0.02 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1u10 h GLN 84 Cb 0.54 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 1u10 h GLN 84 CO -0.13 -0.26 0.62 0.28 -0.67 0.00 0.00 178.83 178.67 1u10 h VAL 85 N -0.40 0.99 -0.13 -0.54 2.07 -1.10 -1.30 116.25 115.84 1u10 h VAL 85 Ca 0.04 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1u10 h VAL 85 Cb 0.45 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1u10 h VAL 85 CO -0.17 0.19 -0.14 0.28 0.02 0.00 0.00 177.57 177.75 1u10 h SER 86 N 1.04 0.36 -0.34 0.57 0.02 -0.78 -3.06 113.55 111.36 1u10 h SER 86 Ca 0.45 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1u10 h SER 86 Cb 0.33 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1u10 h SER 86 CO -0.22 0.78 0.22 0.78 -1.14 0.00 0.00 176.83 177.24 1u10 h ASN 87 N -0.05 0.41 0.10 3.07 2.35 -0.64 0.68 115.58 121.49 1u10 h ASN 87 Ca 0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1u10 h ASN 87 Cb 0.68 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1u10 h ASN 87 CO 0.04 0.30 0.00 0.18 -1.65 0.00 0.00 177.43 176.30 1u10 n LEU 88 N -4.47 0.00 -2.46 1.61 4.77 -0.53 -5.10 117.00 110.82 1u10 n LEU 88 Ca 0.02 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1u10 n LEU 88 Cb 0.07 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1u10 n LEU 88 CO 0.35 -0.01 -0.46 0.61 -1.33 0.00 0.00 177.39 176.55 1u10 n GLY 89 N 0.71 -4.35 0.00 -0.72 0.00 0.23 -5.09 105.19 95.98 1u10 n GLY 89 Ca 0.18 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1u10 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u10 n GLY 91 N 0.86 4.68 3.57 -0.02 0.00 -1.25 -5.05 105.19 107.98 1u10 n GLY 91 Ca -0.12 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1u10 n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u10 s THR 92 N -0.10 4.12 0.26 2.61 2.01 -0.45 -3.91 115.64 120.18 1u10 s THR 92 Ca 0.00 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1u10 s THR 92 Cb 0.00 -2.79 -0.09 0.00 0.01 0.00 0.00 72.50 69.63 1u10 s THR 92 CO 0.00 0.52 1.16 -0.69 -0.69 0.00 0.00 174.62 174.92 1u10 s VAL 93 N -0.03 3.38 -0.35 3.82 1.01 -0.76 -3.73 120.40 123.74 1u10 s VAL 93 Ca 0.02 1.32 -0.09 0.00 0.00 0.00 0.00 61.98 63.24 1u10 s VAL 93 Cb -0.13 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1u10 s VAL 93 CO 0.02 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 174.80 1u10 s LEU 94 N -1.16 4.42 -0.09 3.92 1.43 -1.26 -1.05 118.68 124.88 1u10 s LEU 94 Ca 0.47 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1u10 s LEU 94 Cb -0.33 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1u10 s LEU 94 CO 0.42 -0.32 0.42 -0.63 0.23 0.00 0.00 176.35 176.46 1u10 s ILE 95 N 1.51 5.16 0.00 -0.59 -1.09 -0.40 -1.37 121.20 124.41 1u10 s ILE 95 Ca 0.01 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1u10 s ILE 95 Cb -0.19 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1u10 s ILE 95 CO 0.05 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1u10 n GLY 96 N 2.84 3.48 3.65 6.18 0.00 -0.03 -4.57 105.19 116.75 1u10 n GLY 96 Ca -0.10 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 1u10 n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u10 n ASP 97 N 0.00 0.73 0.00 1.61 8.00 -1.26 -4.68 116.55 120.95 1u10 n ASP 97 Ca 0.00 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1u10 n ASP 97 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 1u10 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u10 n GLY 99 N 0.85 1.60 0.17 0.44 0.00 -0.59 -1.33 105.19 106.33 1u10 n GLY 99 Ca 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1u10 n GLY 99 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u10 h PRO 101 N 0.00 0.16 0.00 1.61 0.11 -1.82 -2.80 132.00 129.26 1u10 h PRO 101 Ca 0.00 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 1u10 h PRO 101 Cb 0.00 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 30.90 1u10 h PRO 101 CO 0.00 0.66 -0.77 0.00 -0.21 0.00 0.00 178.00 177.68 1u10 n ALA 102 N -2.46 2.53 -0.07 -0.75 0.00 -1.26 -4.13 120.51 114.38 1u10 n ALA 102 Ca -0.02 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.13 1u10 n ALA 102 Cb 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1u10 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u10 n GLY 103 N -0.03 -1.45 0.00 0.00 0.00 -1.26 -1.59 105.19 100.86 1u10 n GLY 103 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1u10 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u10 n GLY 104 N 0.00 2.29 3.74 -0.02 0.00 -1.08 -4.85 105.19 105.28 1u10 n GLY 104 Ca 0.00 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1u10 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u10 s ARG 105 N -2.91 4.44 0.75 1.61 3.52 -1.26 -4.44 118.95 120.66 1u10 s ARG 105 Ca 0.00 1.99 -0.13 0.00 -0.13 0.00 0.00 55.73 57.46 1u10 s ARG 105 Cb 0.00 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.25 1u10 s ARG 105 CO 0.00 -0.14 1.13 -0.06 -0.81 0.00 0.00 175.30 175.41 1u10 s PHE 106 N -0.22 2.35 -0.83 5.12 2.99 -1.26 -4.82 117.98 121.30 1u10 s PHE 106 Ca 0.53 1.60 -0.09 0.00 0.00 0.00 0.00 56.93 58.98 1u10 s PHE 106 Cb -0.35 -3.21 0.21 0.00 0.00 0.00 0.00 43.02 39.67 1u10 s PHE 106 CO 0.40 -2.07 0.74 1.21 -0.00 0.00 0.00 175.22 175.50 1u10 s ASN 107 N -2.77 6.36 0.00 1.36 2.47 -1.26 -4.86 114.94 116.23 1u10 s ASN 107 Ca 0.66 -3.02 0.00 0.00 0.42 0.00 0.00 52.86 50.92 1u10 s ASN 107 Cb -0.21 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1u10 s ASN 107 CO 0.50 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 174.07 1u10 n GLY 108 N 3.42 1.62 0.00 1.21 0.00 -1.26 -5.12 105.19 105.05 1u10 n GLY 108 Ca 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1u10 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u10 n GLY 109 N 2.80 -1.09 3.30 -0.02 0.00 -1.26 -5.05 105.19 103.86 1u10 n GLY 109 Ca 0.00 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 1u10 n GLY 109 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u10 n HIS 110 N -0.46 -2.16 0.58 1.61 8.25 -1.26 -4.93 115.22 116.85 1u10 n HIS 110 Ca 0.00 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 1u10 n HIS 110 Cb 0.00 -1.66 0.12 0.00 1.12 0.00 0.00 29.99 29.57 1u10 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u10 n ALA 111 N -3.52 3.09 -1.71 -1.41 0.00 -1.26 -4.49 120.51 111.20 1u10 n ALA 111 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1u10 n ALA 111 Cb 0.56 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1u10 n ALA 111 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u10 n SER 112 N -2.05 0.00 -1.36 0.00 3.41 -1.26 -4.65 113.62 107.71 1u10 n SER 112 Ca 0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.49 1u10 n SER 112 Cb 0.44 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1u10 n SER 112 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u10 n HIS 113 N 0.00 -0.23 0.40 7.33 -0.00 -1.10 -4.63 115.22 116.99 1u10 n HIS 113 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1u10 n HIS 113 Cb 0.00 -2.84 0.06 0.00 -0.00 0.00 0.00 29.99 27.20 1u10 n HIS 113 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1u10 n GLN 114 N -2.53 0.40 -0.36 -0.41 6.02 -0.97 -4.19 117.38 115.35 1u10 n GLN 114 Ca -0.16 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 56.96 1u10 n GLN 114 Cb 0.55 -1.70 0.20 0.00 1.02 0.00 0.00 30.24 30.31 1u10 n GLN 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u10 n THR 115 N -2.25 2.16 -2.62 5.09 -2.24 -1.26 -2.62 114.28 110.54 1u10 n THR 115 Ca 0.02 -2.24 -0.21 0.00 -2.27 0.00 0.00 64.05 59.35 1u10 n THR 115 Cb 0.48 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1u10 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u10 n GLY 116 N -0.99 -0.46 0.00 3.38 0.00 -1.26 -4.56 105.19 101.29 1u10 n GLY 116 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1u10 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u10 n LEU 117 N -3.27 1.32 -4.31 0.99 4.77 -1.26 -0.96 117.00 114.28 1u10 n LEU 117 Ca -0.19 -1.32 -0.30 0.00 -0.03 0.00 0.00 56.01 54.18 1u10 n LEU 117 Cb 0.65 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1u10 n LEU 117 CO 0.35 0.33 -0.56 -1.81 -1.33 0.00 0.00 177.39 174.36 1u10 s ASP 118 N -0.60 3.00 -0.12 -1.43 1.01 -1.26 -0.76 116.67 116.50 1u10 s ASP 118 Ca 0.00 -0.53 -0.06 0.00 0.71 0.00 0.00 52.55 52.67 1u10 s ASP 118 Cb 0.00 -0.29 0.05 0.00 1.01 0.00 0.00 42.92 43.69 1u10 s ASP 118 CO 0.00 0.27 0.29 0.54 0.21 0.00 0.00 175.17 176.47 1u10 s VAL 119 N -0.72 -0.09 -0.00 -1.27 0.11 0.12 -4.55 120.40 114.00 1u10 s VAL 119 Ca 0.10 0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 1u10 s VAL 119 Cb -0.10 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1u10 s VAL 119 CO 0.01 0.06 0.63 -1.81 -3.33 0.00 0.00 175.10 170.66 1u10 s ASP 120 N 1.44 7.01 -0.04 3.54 1.01 -0.44 -0.87 116.67 128.32 1u10 s ASP 120 Ca -0.08 1.21 0.03 0.00 0.71 0.00 0.00 52.55 54.42 1u10 s ASP 120 Cb -0.10 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1u10 s ASP 120 CO -0.10 0.07 -0.12 -0.63 0.21 0.00 0.00 175.17 174.60 1u10 s ILE 121 N -0.07 1.05 0.27 0.77 1.01 -1.26 -0.85 121.20 122.12 1u10 s ILE 121 Ca 0.33 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1u10 s ILE 121 Cb -0.19 -0.94 -0.11 0.00 0.01 0.00 0.00 42.46 41.24 1u10 s ILE 121 CO 0.18 0.32 1.50 0.12 0.00 0.00 0.00 174.94 177.06 1u10 s PHE 122 N 0.29 2.92 -0.68 3.97 5.99 -0.47 -4.32 117.98 125.66 1u10 s PHE 122 Ca -0.06 0.94 -0.04 0.00 0.00 0.00 0.00 56.93 57.76 1u10 s PHE 122 Cb -0.11 -3.91 0.08 0.00 0.00 0.00 0.00 43.02 39.07 1u10 s PHE 122 CO 0.02 -3.01 2.67 1.28 -0.00 0.00 0.00 175.22 176.18 1u10 n LEU 123 N 2.26 6.88 -3.76 6.12 4.77 0.39 -4.65 117.00 129.01 1u10 n LEU 123 Ca 0.07 -4.28 -0.13 0.00 -0.03 0.00 0.00 56.01 51.63 1u10 n LEU 123 Cb 0.39 -1.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.07 1u10 n LEU 123 CO 0.62 1.82 -0.22 -1.10 -1.33 0.00 0.00 177.39 177.18 1u10 s GLN 124 N -1.57 0.11 -0.60 3.23 -0.21 -1.26 -4.97 119.66 114.38 1u10 s GLN 124 Ca 0.58 0.35 0.04 0.00 0.02 0.00 0.00 55.36 56.35 1u10 s GLN 124 Cb 0.33 -0.14 0.15 0.00 1.00 0.00 0.00 33.01 34.35 1u10 s GLN 124 CO -0.19 -0.14 0.37 -0.51 -2.12 0.00 0.00 175.29 172.70 1u10 s LEU 125 N 1.00 4.45 0.30 2.90 1.43 -1.26 -4.40 118.68 123.10 1u10 s LEU 125 Ca -0.08 -3.41 -0.30 0.00 -1.03 0.00 0.00 54.13 49.32 1u10 s LEU 125 Cb -0.10 -1.60 -0.11 0.00 0.03 0.00 0.00 46.19 44.42 1u10 s LEU 125 CO -0.05 -0.16 1.53 -2.16 0.23 0.00 0.00 176.35 175.73 1u10 s PRO 126 N -0.83 4.16 0.00 1.29 0.04 -1.24 -4.40 135.00 134.02 1u10 s PRO 126 Ca 0.21 2.50 0.28 0.00 0.04 0.00 0.00 61.00 64.03 1u10 s PRO 126 Cb -0.15 -3.03 1.17 0.00 0.04 0.00 0.00 34.50 32.52 1u10 s PRO 126 CO -0.08 -0.54 1.81 1.63 0.04 0.00 0.00 177.00 179.86 1u10 n LYS 127 N 1.81 1.03 -3.95 4.56 5.02 -1.26 -1.34 118.16 124.03 1u10 n LYS 127 Ca 0.06 -0.46 -0.17 0.00 -2.02 0.00 0.00 58.31 55.73 1u10 n LYS 127 Cb 0.39 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 1u10 n LYS 127 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1u10 s THR 128 N -2.29 0.19 0.25 -0.18 2.01 -1.26 -4.95 115.64 109.41 1u10 s THR 128 Ca 0.33 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 1u10 s THR 128 Cb 0.20 -0.27 -0.13 0.00 0.01 0.00 0.00 72.50 72.31 1u10 s THR 128 CO 0.43 0.13 1.37 0.54 -0.69 0.00 0.00 174.62 176.41 1u10 n ARG 129 N 3.96 1.98 -2.21 4.92 1.74 -1.26 -4.97 116.66 120.82 1u10 n ARG 129 Ca -0.25 0.70 -0.34 0.00 -0.77 0.00 0.00 57.85 57.20 1u10 n ARG 129 Cb 0.52 -2.34 -0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1u10 n ARG 129 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1u10 s TRP 130 N -0.22 2.85 0.83 -1.55 0.52 -1.26 -5.05 118.94 115.05 1u10 s TRP 130 Ca 0.67 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 58.22 1u10 s TRP 130 Cb -0.65 -3.13 0.12 0.00 -1.15 0.00 0.00 33.47 28.66 1u10 s TRP 130 CO 0.52 -1.24 1.17 0.95 0.02 0.00 0.00 176.95 178.36 1u10 s THR 131 N -2.10 2.08 0.27 2.01 -4.23 -1.26 -4.87 115.64 107.53 1u10 s THR 131 Ca 0.68 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.02 1u10 s THR 131 Cb -0.19 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.91 1u10 s THR 131 CO 0.30 0.00 1.89 0.28 -0.54 0.00 0.00 174.62 176.54 1u10 h SER 132 N -1.09 1.00 -0.55 3.99 0.02 -1.99 -2.06 113.55 112.87 1u10 h SER 132 Ca -0.44 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.31 1u10 h SER 132 Cb 1.29 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1u10 h SER 132 CO 0.52 0.80 -0.10 0.00 -1.14 0.00 0.00 176.83 176.91 1u10 h ALA 133 N 1.36 0.77 -0.45 3.77 0.00 -1.99 -1.44 119.26 121.28 1u10 h ALA 133 Ca 0.28 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u10 h ALA 133 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1u10 h ALA 133 CO -0.05 0.67 0.09 1.96 0.00 0.00 0.00 179.25 181.93 1u10 h GLN 134 N 0.93 0.74 -0.18 0.00 4.20 -1.82 -1.93 115.11 117.05 1u10 h GLN 134 Ca 0.14 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1u10 h GLN 134 Cb 0.67 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1u10 h GLN 134 CO 0.05 0.75 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.75 1u10 h LEU 135 N 0.61 0.28 -0.32 1.46 3.38 -1.12 -1.96 115.31 117.64 1u10 h LEU 135 Ca 0.14 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1u10 h LEU 135 Cb 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u10 h LEU 135 CO 0.01 0.45 -0.73 0.25 0.09 0.00 0.00 178.44 178.51 1u10 h LEU 136 N 0.28 0.68 -6.18 1.67 5.85 -1.02 0.12 115.31 116.71 1u10 h LEU 136 Ca 0.05 -0.44 -0.59 0.00 0.84 0.00 0.00 57.88 57.75 1u10 h LEU 136 Cb 0.42 -0.20 -0.41 0.00 0.37 0.00 0.00 40.66 40.84 1u10 h LEU 136 CO 0.03 1.20 -0.76 0.54 -0.34 0.00 0.00 178.44 179.11 1u10 n ARG 137 N -3.89 1.88 -1.82 1.25 1.74 -0.75 -4.46 116.66 110.62 1u10 n ARG 137 Ca -0.05 -4.19 -0.42 0.00 -0.77 0.00 0.00 57.85 52.42 1u10 n ARG 137 Cb 0.71 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1u10 n ARG 137 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1u10 s PRO 138 N -1.97 4.16 -0.48 5.56 0.02 -0.76 -4.78 135.00 136.76 1u10 s PRO 138 Ca 0.38 2.50 -0.19 0.00 0.02 0.00 0.00 61.00 63.70 1u10 s PRO 138 Cb 0.14 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.60 1u10 s PRO 138 CO -0.05 -0.69 0.60 -1.14 -0.33 0.00 0.00 177.00 175.39 1u10 s GLN 139 N 1.13 3.15 0.59 5.54 2.00 -1.26 -5.04 119.66 125.77 1u10 s GLN 139 Ca 0.72 -0.78 -0.19 0.00 -2.00 0.00 0.00 55.36 53.11 1u10 s GLN 139 Cb -0.47 -4.05 -0.04 0.00 0.80 0.00 0.00 33.01 29.25 1u10 s GLN 139 CO 0.32 -1.13 1.23 0.00 -0.50 0.00 0.00 175.29 175.22 1u10 s ALA 140 N 2.59 2.57 -0.45 1.58 0.00 -1.26 -5.00 121.76 121.79 1u10 s ALA 140 Ca 0.16 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.19 1u10 s ALA 140 Cb -0.18 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.58 1u10 s ALA 140 CO 0.13 -1.23 0.22 -1.17 0.00 0.00 0.00 175.76 173.72 1u10 s LEU 141 N -4.00 5.02 -0.00 0.00 2.96 -1.26 -5.07 118.68 116.32 1u10 s LEU 141 Ca 0.77 -2.35 -0.31 0.00 -0.22 0.00 0.00 54.13 52.01 1u10 s LEU 141 Cb -0.32 -1.76 -0.10 0.00 0.50 0.00 0.00 46.19 44.50 1u10 s LEU 141 CO 0.36 -0.43 1.95 -0.67 -1.32 0.00 0.00 176.35 176.24 1u10 n ASP 142 N 4.10 3.95 0.00 3.68 2.03 -1.26 -4.51 116.55 124.54 1u10 n ASP 142 Ca 0.02 0.91 0.11 0.00 0.52 0.00 0.00 54.79 56.35 1u10 n ASP 142 Cb 0.40 -1.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.20 1u10 n ASP 142 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u10 n LEU 143 N 7.34 0.47 -4.68 -2.67 4.77 -0.95 -4.92 117.00 116.36 1u10 n LEU 143 Ca 0.21 -0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 1u10 n LEU 143 Cb 0.37 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1u10 n LEU 143 CO 0.70 0.09 0.31 -0.69 -1.33 0.00 0.00 177.39 176.47 1u10 s VAL 144 N -3.28 5.07 0.96 4.08 1.01 -1.26 0.08 120.40 127.06 1u10 s VAL 144 Ca -0.00 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 1u10 s VAL 144 Cb 0.15 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1u10 s VAL 144 CO 0.88 0.18 0.65 -1.54 0.00 0.00 0.00 175.10 175.26 1u10 n SER 145 N 4.59 -1.30 -0.21 3.32 3.41 -0.48 -4.80 113.62 118.15 1u10 n SER 145 Ca -0.03 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 58.98 1u10 n SER 145 Cb 0.50 -1.28 0.36 0.00 -0.26 0.00 0.00 64.21 63.53 1u10 n SER 145 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u10 h ARG 146 N -1.75 0.72 0.00 4.33 3.08 -1.97 -0.04 114.38 118.76 1u10 h ARG 146 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1u10 h ARG 146 Cb 1.28 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1u10 h ARG 146 CO 0.37 0.48 0.00 -0.40 -1.07 0.00 0.00 179.97 179.35 1u10 n ASP 147 N -4.50 0.00 -1.89 7.04 5.68 -1.26 -4.90 116.55 116.72 1u10 n ASP 147 Ca 0.13 -0.08 -0.18 0.00 -0.50 0.00 0.00 54.79 54.16 1u10 n ASP 147 Cb 0.30 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1u10 n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u10 n GLY 148 N 0.86 0.03 0.04 6.12 0.00 -0.03 -4.89 105.19 107.33 1u10 n GLY 148 Ca 0.12 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1u10 n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u10 n LYS 149 N -2.65 4.23 -3.52 1.61 5.02 -1.26 -4.42 118.16 117.16 1u10 n LYS 149 Ca -0.20 -0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 55.80 1u10 n LYS 149 Cb 0.64 -0.76 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 1u10 n LYS 149 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1u10 s HIS 150 N -1.01 -0.41 0.37 2.13 -3.43 -1.26 -4.76 115.29 106.90 1u10 s HIS 150 Ca 0.02 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.33 1u10 s HIS 150 Cb 0.02 0.58 -0.08 0.00 -1.43 0.00 0.00 32.58 31.67 1u10 s HIS 150 CO 0.10 -0.80 0.78 0.14 -2.00 0.00 0.00 174.74 172.96 1u10 s VAL 151 N -3.55 4.68 -0.55 -5.38 -7.23 -1.26 -1.38 120.40 105.72 1u10 s VAL 151 Ca 0.04 0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 60.86 1u10 s VAL 151 Cb -0.02 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1u10 s VAL 151 CO -0.08 -0.33 2.05 -0.69 -0.31 0.00 0.00 175.10 175.74 1u10 s VAL 152 N -2.15 3.24 0.50 1.32 1.01 0.11 -4.70 120.40 119.72 1u10 s VAL 152 Ca 0.54 0.15 0.36 0.00 0.00 0.00 0.00 61.98 63.03 1u10 s VAL 152 Cb -0.10 -3.61 0.56 0.00 0.00 0.00 0.00 36.38 33.24 1u10 s VAL 152 CO 0.22 -0.58 1.68 0.77 0.00 0.00 0.00 175.10 177.19 1u10 h SER 153 N 16.43 0.13 0.75 3.32 4.64 -1.92 0.35 113.55 137.25 1u10 h SER 153 Ca -0.26 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1u10 h SER 153 Cb 1.20 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u10 h SER 153 CO 1.19 -0.05 -0.22 0.35 -0.87 0.00 0.00 176.83 177.23 1u10 n THR 154 N -4.33 0.00 -0.06 2.95 -2.24 -1.26 -3.88 114.28 105.45 1u10 n THR 154 Ca 0.34 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.09 1u10 n THR 154 Cb 1.47 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 69.42 1u10 n THR 154 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u10 n LEU 155 N -1.47 0.00 -4.69 3.22 4.77 0.12 -4.95 117.00 113.99 1u10 n LEU 155 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1u10 n LEU 155 Cb 0.33 0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1u10 n LEU 155 CO 0.30 0.29 1.00 0.86 -1.33 0.00 0.00 177.39 178.51 1u10 s TRP 156 N -2.65 3.12 0.05 -1.77 -0.11 -0.71 -5.03 118.94 111.85 1u10 s TRP 156 Ca -0.08 1.10 0.06 0.00 1.22 0.00 0.00 56.10 58.41 1u10 s TRP 156 Cb 0.07 -3.50 -0.04 0.00 -1.50 0.00 0.00 33.47 28.51 1u10 s TRP 156 CO 0.70 -1.66 -0.13 0.15 -4.62 0.00 0.00 176.95 171.39 1u10 s LYS 157 N 2.13 2.17 0.59 5.86 -0.14 -1.26 -4.97 119.74 124.11 1u10 s LYS 157 Ca 0.59 -0.95 0.29 0.00 -1.36 0.00 0.00 55.97 54.54 1u10 s LYS 157 Cb -0.27 -2.28 1.70 0.00 -1.68 0.00 0.00 37.83 35.29 1u10 s LYS 157 CO 0.24 0.54 2.13 -1.35 -0.76 0.00 0.00 175.35 176.15 1u10 h PRO 158 N 4.23 0.00 -0.70 -1.68 0.11 -2.00 -1.07 132.00 130.88 1u10 h PRO 158 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1u10 h PRO 158 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1u10 h PRO 158 CO 0.50 0.00 0.41 0.93 -0.21 0.00 0.00 178.00 179.63 1u10 h GLU 159 N 0.00 0.96 -0.33 1.05 3.07 -1.99 -1.23 114.58 116.11 1u10 h GLU 159 Ca 0.07 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1u10 h GLU 159 Cb 0.40 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1u10 h GLU 159 CO -0.00 0.68 -0.20 0.82 -1.40 0.00 0.00 179.01 178.91 1u10 h ILE 160 N 0.97 1.26 -0.04 3.13 1.08 -1.57 0.22 117.51 122.56 1u10 h ILE 160 Ca 0.25 -1.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1u10 h ILE 160 Cb -0.02 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1u10 h ILE 160 CO -0.05 0.40 0.03 0.15 -0.69 0.00 0.00 178.15 177.99 1u10 h PHE 161 N 0.54 0.06 -0.61 1.37 3.57 -1.42 -2.30 116.94 118.15 1u10 h PHE 161 Ca 0.08 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1u10 h PHE 161 Cb 0.65 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1u10 h PHE 161 CO 0.03 0.09 0.21 0.77 -2.23 0.00 0.00 178.31 177.17 1u10 h SER 162 N 0.01 0.87 -0.52 0.41 0.02 -0.89 -1.72 113.55 111.73 1u10 h SER 162 Ca 0.02 -0.19 0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1u10 h SER 162 Cb 0.04 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1u10 h SER 162 CO -0.00 0.83 0.16 0.25 -1.14 0.00 0.00 176.83 176.92 1u10 h LEU 163 N 0.86 0.12 -0.54 5.07 5.85 -0.34 0.16 115.31 126.50 1u10 h LEU 163 Ca 0.20 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 1u10 h LEU 163 Cb 0.25 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1u10 h LEU 163 CO -0.01 0.09 -0.66 0.40 -0.34 0.00 0.00 178.44 177.92 1u10 h ILE 164 N 0.32 1.39 -0.27 4.05 2.04 -1.25 -2.68 117.51 121.11 1u10 h ILE 164 Ca 0.26 -2.07 -0.15 0.00 1.00 0.00 0.00 64.86 63.89 1u10 h ILE 164 Cb 0.31 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1u10 h ILE 164 CO -0.29 0.62 -0.46 0.50 0.00 0.00 0.00 178.15 178.52 1u10 h LYS 165 N 0.22 0.70 -0.64 2.37 3.64 -0.77 -0.69 116.57 121.40 1u10 h LYS 165 Ca -0.02 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1u10 h LYS 165 Cb 1.20 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1u10 h LYS 165 CO 0.11 1.01 0.15 -0.07 -2.27 0.00 0.00 179.45 178.38 1u10 h LEU 166 N 0.56 0.98 -0.15 5.20 3.38 -0.61 0.54 115.31 125.21 1u10 h LEU 166 Ca 0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1u10 h LEU 166 Cb 1.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u10 h LEU 166 CO 0.10 0.96 -0.19 0.00 0.09 0.00 0.00 178.44 179.40 1u10 h ALA 167 N 1.05 0.23 -0.13 1.53 0.00 -1.43 -3.08 119.26 117.44 1u10 h ALA 167 Ca 0.20 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1u10 h ALA 167 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1u10 h ALA 167 CO 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1u10 h ALA 168 N 0.60 1.70 0.00 0.00 0.00 -0.94 -2.08 119.26 118.54 1u10 h ALA 168 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u10 h ALA 168 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u10 h ALA 168 CO 0.04 0.23 0.00 1.96 0.00 0.00 0.00 179.25 181.48 1u10 h GLN 169 N 0.19 0.00 -6.65 0.00 4.20 -0.84 -3.45 115.11 108.55 1u10 h GLN 169 Ca 0.04 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.23 1u10 h GLN 169 Cb 0.19 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.03 1u10 h GLN 169 CO 0.01 0.00 0.94 0.34 -0.67 0.00 0.00 178.83 179.45 1u10 s ASP 170 N -5.63 6.47 0.56 1.46 2.15 -0.78 -4.89 116.67 116.01 1u10 s ASP 170 Ca 0.04 2.77 0.25 0.00 0.43 0.00 0.00 52.55 56.03 1u10 s ASP 170 Cb 0.08 -2.60 1.60 0.00 -0.30 0.00 0.00 42.92 41.70 1u10 s ASP 170 CO 0.57 -0.90 2.18 0.07 -0.17 0.00 0.00 175.17 176.92 1u10 h LYS 171 N 6.57 0.00 -0.00 4.34 2.10 -1.89 -2.10 116.57 125.59 1u10 h LYS 171 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1u10 h LYS 171 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1u10 h LYS 171 CO 0.92 0.00 -0.10 -0.25 -2.00 0.00 0.00 179.45 178.02 1u10 n ASP 172 N -4.09 0.12 -4.72 7.07 8.00 -1.26 -4.83 116.55 116.83 1u10 n ASP 172 Ca -0.02 0.25 -0.39 0.00 0.71 0.00 0.00 54.79 55.35 1u10 n ASP 172 Cb 0.15 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1u10 n ASP 172 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u10 s VAL 173 N -2.94 5.10 -0.21 2.53 1.01 -0.79 -0.81 120.40 124.28 1u10 s VAL 173 Ca 0.15 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.37 1u10 s VAL 173 Cb 0.19 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1u10 s VAL 173 CO 0.55 0.30 -0.16 0.35 0.00 0.00 0.00 175.10 176.15 1u10 n THR 174 N 3.62 1.23 -3.85 3.92 -2.24 -0.59 -4.86 114.28 111.50 1u10 n THR 174 Ca -0.04 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1u10 n THR 174 Cb 0.51 -1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.48 1u10 n THR 174 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1u10 s ARG 175 N -2.43 0.62 -0.15 -0.78 0.52 -1.20 -4.59 118.95 110.93 1u10 s ARG 175 Ca -0.26 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1u10 s ARG 175 Cb 0.07 0.26 0.05 0.00 0.52 0.00 0.00 34.95 35.85 1u10 s ARG 175 CO 0.52 -0.17 0.04 0.42 0.02 0.00 0.00 175.30 176.13 1u10 s ILE 176 N -2.11 0.36 -0.10 1.52 1.01 -0.03 -1.24 121.20 120.61 1u10 s ILE 176 Ca -0.09 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1u10 s ILE 176 Cb -0.03 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1u10 s ILE 176 CO -0.02 -0.09 0.54 -0.36 0.00 0.00 0.00 174.94 175.01 1u10 s PHE 177 N 1.95 3.54 0.22 3.97 0.08 0.32 -0.19 117.98 127.87 1u10 s PHE 177 Ca 0.01 1.00 -0.05 0.00 0.12 0.00 0.00 56.93 58.02 1u10 s PHE 177 Cb -0.15 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1u10 s PHE 177 CO -0.07 0.16 0.26 0.14 -0.10 0.00 0.00 175.22 175.61 1u10 s VAL 178 N 0.60 0.00 0.48 -0.44 -7.23 -0.70 -1.13 120.40 111.98 1u10 s VAL 178 Ca 0.29 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 1u10 s VAL 178 Cb -0.16 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 1u10 s VAL 178 CO 0.13 0.00 1.19 0.21 -0.31 0.00 0.00 175.10 176.32 1u10 s ASN 179 N -3.12 5.98 0.26 4.85 3.84 -0.54 -1.48 114.94 124.73 1u10 s ASN 179 Ca 0.34 2.37 -0.01 0.00 0.21 0.00 0.00 52.86 55.77 1u10 s ASN 179 Cb 0.04 -2.61 0.55 0.00 -0.55 0.00 0.00 41.25 38.68 1u10 s ASN 179 CO 0.12 -1.05 1.73 -0.65 -2.79 0.00 0.00 177.10 174.46 1u10 h PRO 180 N 1.88 0.48 -0.35 0.43 0.11 -1.86 0.13 132.00 132.81 1u10 h PRO 180 Ca -0.50 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.63 1u10 h PRO 180 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1u10 h PRO 180 CO 0.59 0.32 0.24 0.00 -0.21 0.00 0.00 178.00 178.94 1u10 h ALA 181 N 1.59 1.99 0.10 -0.75 0.00 -1.86 -0.83 119.26 119.50 1u10 h ALA 181 Ca 0.47 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.07 1u10 h ALA 181 Cb 0.74 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.50 1u10 h ALA 181 CO -0.42 -0.05 -1.20 0.82 0.00 0.00 0.00 179.25 178.40 1u10 h ILE 182 N 0.27 1.28 -0.20 0.00 2.04 -1.12 -2.95 117.51 116.83 1u10 h ILE 182 Ca 0.15 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.56 1u10 h ILE 182 Cb 0.26 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1u10 h ILE 182 CO -0.03 0.74 -0.06 0.50 0.00 0.00 0.00 178.15 179.29 1u10 h LYS 183 N 0.29 0.31 -0.65 2.37 3.64 -0.98 -1.94 116.57 119.61 1u10 h LYS 183 Ca -0.18 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1u10 h LYS 183 Cb 1.87 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.61 1u10 h LYS 183 CO 0.23 0.39 0.42 0.37 -2.27 0.00 0.00 179.45 178.59 1u10 h GLN 184 N 0.30 0.82 -0.60 1.90 -0.00 -1.14 0.24 115.11 116.63 1u10 h GLN 184 Ca 0.06 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 1u10 h GLN 184 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 1u10 h GLN 184 CO 0.01 0.54 0.12 0.37 0.00 0.00 0.00 178.83 179.88 1u10 h GLN 185 N 0.84 0.97 -0.60 1.69 5.75 -1.20 -2.44 115.11 120.13 1u10 h GLN 185 Ca 0.24 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1u10 h GLN 185 Cb -0.06 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1u10 h GLN 185 CO -0.07 0.90 0.10 -0.07 -2.65 0.00 0.00 178.83 177.04 1u10 h LEU 186 N 0.88 0.92 -0.81 -2.39 3.38 -0.77 -0.44 115.31 116.08 1u10 h LEU 186 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1u10 h LEU 186 Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1u10 h LEU 186 CO 0.01 0.93 0.43 0.00 0.09 0.00 0.00 178.44 179.89 1u10 h LEU 188 N 1.13 0.36 -0.31 0.00 3.38 -0.98 -3.25 115.31 115.64 1u10 h LEU 188 Ca 0.28 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1u10 h LEU 188 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1u10 h LEU 188 CO -0.04 0.67 0.00 0.44 0.09 0.00 0.00 178.44 179.59 1u10 h ASP 189 N 0.04 0.00 -0.95 -0.43 5.19 -0.89 -3.35 116.42 116.04 1u10 h ASP 189 Ca 0.04 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1u10 h ASP 189 Cb 0.52 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.98 1u10 h ASP 189 CO 0.02 0.00 0.62 0.00 -3.12 0.00 0.00 179.24 176.76 1u10 h ALA 190 N 2.28 1.25 -0.62 3.45 0.00 -0.89 -3.48 119.26 121.25 1u10 h ALA 190 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u10 h ALA 190 Cb 0.71 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1u10 h ALA 190 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1u10 n GLY 191 N -1.36 2.10 0.13 0.00 0.00 -1.26 -3.69 105.19 101.12 1u10 n GLY 191 Ca 0.12 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1u10 n GLY 191 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u10 h THR 192 N 0.00 1.45 -1.74 2.61 2.02 -1.99 -3.40 112.91 111.87 1u10 h THR 192 Ca 0.00 -2.77 -0.67 0.00 0.77 0.00 0.00 66.41 63.74 1u10 h THR 192 Cb 0.00 2.71 -0.14 0.00 -1.74 0.00 0.00 68.15 68.98 1u10 h THR 192 CO 0.00 0.82 1.31 -0.62 0.37 0.00 0.00 175.52 177.40 1u10 s ASP 193 N -7.13 6.68 0.00 4.18 2.15 -1.24 -4.71 116.67 116.60 1u10 s ASP 193 Ca -0.05 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.89 1u10 s ASP 193 Cb 0.08 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1u10 s ASP 193 CO 0.88 -1.18 0.19 -2.11 -0.17 0.00 0.00 175.17 172.78 1u10 n ARG 194 N 7.43 -0.37 -0.22 4.34 1.85 -1.26 -4.84 116.66 123.59 1u10 n ARG 194 Ca 0.32 -0.19 0.21 0.00 -1.00 0.00 0.00 57.85 57.19 1u10 n ARG 194 Cb 0.48 -0.69 0.56 0.00 -1.05 0.00 0.00 32.46 31.76 1u10 n ARG 194 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1u10 h ASP 195 N 0.00 0.31 0.21 2.89 3.32 -1.97 0.18 116.42 121.37 1u10 h ASP 195 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1u10 h ASP 195 Cb 0.30 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1u10 h ASP 195 CO 0.00 0.12 -0.07 4.11 -1.72 0.00 0.00 179.24 181.69 1u10 h TRP 196 N 0.31 0.00 -0.63 4.55 5.08 -1.92 -2.69 115.95 120.65 1u10 h TRP 196 Ca 0.46 0.00 0.18 0.00 1.08 0.00 0.00 58.89 60.61 1u10 h TRP 196 Cb 1.28 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.41 1u10 h TRP 196 CO -0.00 0.07 0.51 -0.07 -1.28 0.00 0.00 178.44 177.66 1u10 h LEU 197 N 0.00 0.00 -1.31 0.11 3.38 -0.97 -1.55 115.31 114.98 1u10 h LEU 197 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1u10 h LEU 197 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1u10 h LEU 197 CO 0.01 0.00 0.51 -0.09 0.09 0.00 0.00 178.44 178.95 1u10 h ARG 198 N 0.00 0.82 0.00 1.13 2.43 -1.66 -0.60 114.38 116.50 1u10 h ARG 198 Ca 0.30 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1u10 h ARG 198 Cb 1.32 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1u10 h ARG 198 CO -0.00 0.54 -0.02 0.87 -1.51 0.00 0.00 179.97 179.85 1u10 h LYS 199 N 0.85 0.00 -6.31 0.20 1.57 -1.50 -3.43 116.57 107.95 1u10 h LYS 199 Ca 0.33 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.54 1u10 h LYS 199 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1u10 h LYS 199 CO -0.11 0.02 0.89 0.08 -0.57 0.00 0.00 179.45 179.75 1u10 s VAL 200 N -3.60 4.38 -0.08 0.50 1.01 -0.23 -0.85 120.40 121.53 1u10 s VAL 200 Ca 0.02 1.59 0.02 0.00 0.00 0.00 0.00 61.98 63.61 1u10 s VAL 200 Cb 0.08 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1u10 s VAL 200 CO 0.57 -0.45 -0.12 -0.13 0.00 0.00 0.00 175.10 174.97 1u10 s ARG 201 N 3.79 2.88 0.48 2.72 1.81 0.73 -4.92 118.95 126.43 1u10 s ARG 201 Ca 0.49 -0.65 -0.20 0.00 -1.72 0.00 0.00 55.73 53.65 1u10 s ARG 201 Cb -0.14 -2.52 -0.09 0.00 -0.45 0.00 0.00 34.95 31.74 1u10 s ARG 201 CO 0.17 0.49 1.00 -2.14 -0.68 0.00 0.00 175.30 174.15 1u10 s PRO 202 N -0.37 3.93 0.19 3.54 0.02 -1.26 -1.72 135.00 139.33 1u10 s PRO 202 Ca 0.04 1.22 -0.24 0.00 0.02 0.00 0.00 61.00 62.04 1u10 s PRO 202 Cb -0.12 -2.12 0.05 0.00 0.02 0.00 0.00 34.50 32.32 1u10 s PRO 202 CO 0.02 -0.30 0.81 -0.46 -0.33 0.00 0.00 177.00 176.75 1u10 s TRP 203 N -2.16 -0.23 0.64 6.54 -0.11 -0.55 -4.84 118.94 118.23 1u10 s TRP 203 Ca 0.64 -0.10 -0.17 0.00 1.22 0.00 0.00 56.10 57.69 1u10 s TRP 203 Cb -0.13 0.65 -0.01 0.00 -1.50 0.00 0.00 33.47 32.48 1u10 s TRP 203 CO 0.20 -0.96 1.19 -0.06 -4.62 0.00 0.00 176.95 172.70 1u10 s PHE 204 N -3.57 2.33 0.00 5.86 0.08 -1.26 -4.12 117.98 117.30 1u10 s PHE 204 Ca 0.10 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.69 1u10 s PHE 204 Cb -0.03 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1u10 s PHE 204 CO 0.01 -2.22 0.00 1.04 -0.10 0.00 0.00 175.22 173.94 1u10 n GLN 205 N -2.07 0.00 -3.84 0.44 3.00 -1.26 -4.87 117.38 108.78 1u10 n GLN 205 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.88 1u10 n GLN 205 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 1u10 n GLN 205 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1u10 n HIS 206 N 14.00 -1.79 0.18 1.08 8.25 -1.26 -3.57 115.22 132.11 1u10 n HIS 206 Ca 0.00 0.80 0.11 0.00 -0.26 0.00 0.00 57.72 58.37 1u10 n HIS 206 Cb 0.00 -4.04 -0.04 0.00 1.12 0.00 0.00 29.99 27.02 1u10 n HIS 206 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1u10 n ARG 207 N -4.35 0.55 0.00 -0.41 1.74 -1.26 -1.47 116.66 111.46 1u10 n ARG 207 Ca -0.29 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 1u10 n ARG 207 Cb 0.68 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1u10 n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u10 n ALA 208 N -2.12 1.66 -2.95 7.54 0.00 -1.26 -2.25 120.51 121.13 1u10 n ALA 208 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1u10 n ALA 208 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1u10 n ALA 208 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1u10 n HIS 209 N -0.23 0.00 -3.37 0.00 1.44 -1.26 -0.46 115.22 111.34 1u10 n HIS 209 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1u10 n HIS 209 Cb 0.05 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.07 1u10 n HIS 209 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1u10 s HIS 211 N 0.72 -0.74 -0.19 -1.40 5.04 -0.29 -4.68 115.29 113.74 1u10 s HIS 211 Ca 0.00 0.72 -0.11 0.00 -1.54 0.00 0.00 55.06 54.12 1u10 s HIS 211 Cb 0.00 -0.05 -0.05 0.00 0.04 0.00 0.00 32.58 32.52 1u10 s HIS 211 CO 0.00 -0.71 0.19 0.08 -2.34 0.00 0.00 174.74 171.96 1u10 s VAL 212 N 2.51 5.37 -0.05 0.89 1.01 -0.05 -0.52 120.40 129.55 1u10 s VAL 212 Ca 0.12 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1u10 s VAL 212 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1u10 s VAL 212 CO -0.16 0.41 -0.25 -0.60 0.00 0.00 0.00 175.10 174.50 1u10 s ARG 213 N 0.49 2.50 0.13 2.72 3.52 -0.37 -0.70 118.95 127.23 1u10 s ARG 213 Ca 0.11 -0.90 0.03 0.00 -0.13 0.00 0.00 55.73 54.84 1u10 s ARG 213 Cb -0.12 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 1u10 s ARG 213 CO 0.01 0.39 0.19 -0.51 -0.81 0.00 0.00 175.30 174.57 1u10 s LEU 214 N -0.20 4.08 0.78 -0.88 1.43 0.06 -1.55 118.68 122.40 1u10 s LEU 214 Ca -0.02 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1u10 s LEU 214 Cb -0.13 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.46 1u10 s LEU 214 CO 0.03 0.10 1.12 0.00 0.23 0.00 0.00 176.35 177.83 1u10 s ARG 215 N -2.93 2.06 0.28 1.70 1.70 0.01 -4.77 118.95 117.00 1u10 s ARG 215 Ca 0.33 1.38 -0.30 0.00 -0.47 0.00 0.00 55.73 56.67 1u10 s ARG 215 Cb -0.11 -1.86 -0.11 0.00 -0.57 0.00 0.00 34.95 32.30 1u10 s ARG 215 CO 0.26 -1.82 1.54 0.00 -1.08 0.00 0.00 175.30 174.19 1u10 s PRO 217 N -0.54 4.11 0.21 0.00 0.02 -1.26 -4.90 135.00 132.64 1u10 s PRO 217 Ca 0.61 2.57 -0.14 0.00 0.02 0.00 0.00 61.00 64.06 1u10 s PRO 217 Cb -0.46 -2.98 0.22 0.00 0.02 0.00 0.00 34.50 31.30 1u10 s PRO 217 CO 0.47 -0.56 1.63 0.00 -0.33 0.00 0.00 177.00 178.21 1u10 h ALA 218 N 3.46 0.37 -0.02 -1.55 0.00 -2.03 -1.91 119.26 117.58 1u10 h ALA 218 Ca -0.50 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u10 h ALA 218 Cb 1.23 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1u10 h ALA 218 CO 0.68 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1u10 n ASP 219 N -5.43 0.72 -4.16 0.00 5.75 -1.26 -4.44 116.55 107.73 1u10 n ASP 219 Ca 0.07 -1.29 -0.43 0.00 -0.01 0.00 0.00 54.79 53.13 1u10 n ASP 219 Cb 0.33 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1u10 n ASP 219 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1u10 n SER 220 N -0.42 5.00 0.15 -1.12 7.64 -0.72 -4.82 113.62 119.34 1u10 n SER 220 Ca 0.21 -3.01 0.19 0.00 1.01 0.00 0.00 58.87 57.26 1u10 n SER 220 Cb 0.22 -1.56 0.78 0.00 -1.01 0.00 0.00 64.21 62.64 1u10 n SER 220 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1u10 h LEU 221 N 9.31 0.00 -3.14 -3.43 3.38 -1.83 -2.11 115.31 117.49 1u10 h LEU 221 Ca 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.17 1u10 h LEU 221 Cb 0.75 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 1u10 h LEU 221 CO 1.49 0.00 0.24 -0.62 0.09 0.00 0.00 178.44 179.64 1u10 n GLU 222 N -3.69 2.83 -4.27 1.13 1.02 -1.26 -4.91 120.64 111.48 1u10 n GLU 222 Ca 0.04 -2.21 -0.35 0.00 -0.02 0.00 0.00 57.16 54.63 1u10 n GLU 222 Cb 0.49 -1.95 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 1u10 n GLU 222 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u10 s GLU 224 N -0.33 3.69 0.51 0.00 2.02 0.75 -4.91 118.70 120.42 1u10 s GLU 224 Ca 0.07 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 1u10 s GLU 224 Cb -0.12 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1u10 s GLU 224 CO 0.02 -0.15 0.82 -0.51 0.02 0.00 0.00 175.26 175.46 1u10 s ASP 225 N 1.53 6.21 0.08 -0.19 1.01 -1.26 -4.56 116.67 119.49 1u10 s ASP 225 Ca 0.06 0.97 -0.01 0.00 0.71 0.00 0.00 52.55 54.28 1u10 s ASP 225 Cb -0.15 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1u10 s ASP 225 CO 0.04 -0.65 0.24 -1.10 0.21 0.00 0.00 175.17 173.92 1u10 s GLN 226 N -4.81 3.47 1.05 8.23 -0.21 -1.26 -5.08 119.66 121.05 1u10 s GLN 226 Ca 0.49 -0.39 -0.12 0.00 0.02 0.00 0.00 55.36 55.36 1u10 s GLN 226 Cb -0.10 -3.00 0.22 0.00 1.00 0.00 0.00 33.01 31.13 1u10 s GLN 226 CO 0.46 0.58 1.08 -2.14 -2.12 0.00 0.00 175.29 173.14 1u10 s PRO 227 N -2.59 -0.05 0.79 2.91 0.02 -1.26 -4.94 135.00 129.88 1u10 s PRO 227 Ca 0.36 1.10 -0.11 0.00 0.02 0.00 0.00 61.00 62.37 1u10 s PRO 227 Cb -0.13 -1.64 0.07 0.00 0.02 0.00 0.00 34.50 32.83 1u10 s PRO 227 CO 0.28 -3.22 1.12 -0.51 -0.33 0.00 0.00 177.00 174.34 1u10 s LEU 228 N -6.92 3.07 1.05 -5.54 1.43 -1.26 -5.01 118.68 105.50 1u10 s LEU 228 Ca 0.67 2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 55.63 1u10 s LEU 228 Cb -0.24 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 41.65 1u10 s LEU 228 CO 0.62 -2.28 1.12 -2.84 0.23 0.00 0.00 176.35 173.20 1u10 s PRO 229 N -4.62 0.01 0.86 1.29 0.02 -1.26 -4.99 135.00 126.32 1u10 s PRO 229 Ca 0.65 0.24 -0.11 0.00 0.02 0.00 0.00 61.00 61.80 1u10 s PRO 229 Cb -0.20 -1.71 0.11 0.00 0.02 0.00 0.00 34.50 32.72 1u10 s PRO 229 CO 0.53 -2.95 1.15 -2.14 -0.33 0.00 0.00 177.00 173.26 1u10 s PRO 230 N -5.20 1.42 0.70 5.54 0.02 -1.26 -4.98 135.00 131.25 1u10 s PRO 230 Ca 0.67 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 1u10 s PRO 230 Cb -0.15 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1u10 s PRO 230 CO 0.56 -2.33 1.06 -1.54 -0.33 0.00 0.00 177.00 174.43 1u10 s SER 231 N -2.71 5.36 0.00 2.53 1.04 -1.26 -4.90 113.70 113.76 1u10 s SER 231 Ca 0.67 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1u10 s SER 231 Cb -0.23 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1u10 s SER 231 CO 0.56 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1u10 n GLY 232 N -2.18 -1.57 0.02 7.32 0.00 -1.26 -4.37 105.19 103.15 1u10 n GLY 232 Ca 0.07 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.57 1u10 n GLY 232 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u10 n ASP 233 N -1.80 0.08 -0.06 1.61 5.68 -1.26 -4.42 116.55 116.38 1u10 n ASP 233 Ca 0.00 0.53 -0.01 0.00 -0.50 0.00 0.00 54.79 54.81 1u10 n ASP 233 Cb 0.00 -0.54 -0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1u10 n ASP 233 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u10 n GLY 234 N -0.95 0.24 0.08 6.12 0.00 -1.26 -4.31 105.19 105.12 1u10 n GLY 234 Ca 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1u10 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u10 n GLY 236 N 0.50 0.83 0.23 0.00 0.00 -1.26 -4.54 105.19 100.95 1u10 n GLY 236 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1u10 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u10 h ALA 237 N -1.99 0.68 0.25 4.61 0.00 -1.99 -1.73 119.26 119.09 1u10 h ALA 237 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1u10 h ALA 237 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u10 h ALA 237 CO 0.00 -0.34 -0.31 1.49 0.00 0.00 0.00 179.25 180.09 1u10 h GLU 238 N 0.20 -0.55 -0.85 0.00 4.81 -1.89 -0.52 114.58 115.79 1u10 h GLU 238 Ca 0.32 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.79 1u10 h GLU 238 Cb 0.50 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 1u10 h GLU 238 CO -0.45 -0.37 0.30 1.25 -0.73 0.00 0.00 179.01 179.01 1u10 h LEU 239 N -0.57 0.17 -1.55 1.64 5.85 -1.43 0.11 115.31 119.54 1u10 h LEU 239 Ca -0.03 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1u10 h LEU 239 Cb 0.51 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1u10 h LEU 239 CO -0.07 -0.04 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.18 1u10 h GLN 240 N 0.33 0.00 0.00 1.25 4.15 -0.77 -2.10 115.11 117.97 1u10 h GLN 240 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.93 1u10 h GLN 240 Cb 0.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1u10 h GLN 240 CO -0.55 0.20 0.00 0.66 -1.93 0.00 0.00 178.83 177.22 1u10 h SER 241 N 0.00 0.00 1.45 -0.69 4.64 0.67 -2.43 113.55 117.19 1u10 h SER 241 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u10 h SER 241 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1u10 h SER 241 CO 0.03 0.00 -0.12 -0.50 -0.87 0.00 0.00 176.83 175.37 1u10 h TRP 242 N 0.00 0.00 -0.56 4.77 4.06 -1.39 -3.25 115.95 119.58 1u10 h TRP 242 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1u10 h TRP 242 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1u10 h TRP 242 CO 0.00 0.00 0.00 1.19 -3.56 0.00 0.00 178.44 176.07 1u10 n PHE 243 N -2.37 0.85 -0.93 0.49 3.72 -0.91 -5.02 117.46 113.29 1u10 n PHE 243 Ca 0.05 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1u10 n PHE 243 Cb 0.45 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1u10 n PHE 243 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1u10 n GLU 244 N 1.11 0.00 0.00 -1.08 4.07 -1.23 -5.08 120.64 118.44 1u10 n GLU 244 Ca 0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1u10 n GLU 244 Cb 0.53 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 1u10 n GLU 244 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1u10 n PRO 259 N 0.00 0.00 -1.72 5.31 -0.02 -1.26 -5.00 135.00 132.32 1u10 n PRO 259 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1u10 n PRO 259 Cb 0.17 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.69 1u10 n PRO 259 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1u10 n PRO 260 N -0.41 1.62 -1.98 0.52 -0.02 -1.26 -4.99 135.00 128.47 1u10 n PRO 260 Ca 0.00 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1u10 n PRO 260 Cb 0.00 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.01 1u10 n PRO 260 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u10 s LEU 261 N -2.95 3.48 0.48 2.45 2.96 -1.26 -4.97 118.68 118.87 1u10 s LEU 261 Ca 0.70 1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 56.26 1u10 s LEU 261 Cb -0.43 -4.54 -0.07 0.00 0.50 0.00 0.00 46.19 41.65 1u10 s LEU 261 CO 0.50 -1.28 1.31 -2.84 -1.32 0.00 0.00 176.35 172.72 1u10 s PRO 262 N -4.05 3.55 0.16 0.98 0.02 -1.26 -4.82 135.00 129.59 1u10 s PRO 262 Ca 0.65 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 63.62 1u10 s PRO 262 Cb -0.17 -2.47 0.07 0.00 0.02 0.00 0.00 34.50 31.95 1u10 s PRO 262 CO 0.38 -0.83 1.65 -1.35 -0.33 0.00 0.00 177.00 176.51 1u10 h PRO 263 N 2.00 -0.12 -0.66 5.54 0.11 -1.99 -0.93 132.00 135.95 1u10 h PRO 263 Ca -0.50 0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.74 1u10 h PRO 263 Cb 1.27 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1u10 h PRO 263 CO 0.60 -0.08 0.19 0.77 -0.21 0.00 0.00 178.00 179.27 1u10 h SER 264 N -0.12 0.11 -0.52 -2.05 0.02 -1.99 0.47 113.55 109.46 1u10 h SER 264 Ca 0.17 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1u10 h SER 264 Cb 0.39 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1u10 h SER 264 CO -0.42 0.04 -0.08 0.00 -1.14 0.00 0.00 176.83 175.24 1u10 h GLN 266 N 0.84 1.25 -0.66 0.00 5.75 0.21 -2.07 115.11 120.44 1u10 h GLN 266 Ca 0.14 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1u10 h GLN 266 Cb 0.64 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1u10 h GLN 266 CO 0.04 0.93 0.43 0.00 -2.65 0.00 0.00 178.83 177.59 1u10 h ALA 267 N 1.25 1.71 -0.61 3.38 0.00 0.22 0.31 119.26 125.51 1u10 h ALA 267 Ca 0.31 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1u10 h ALA 267 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u10 h ALA 267 CO -0.05 0.20 0.11 -0.07 0.00 0.00 0.00 179.25 179.45 1u10 h LEU 268 N 0.72 0.96 -0.16 0.00 3.38 -1.02 -2.45 115.31 116.74 1u10 h LEU 268 Ca 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1u10 h LEU 268 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1u10 h LEU 268 CO -0.08 0.97 -0.01 -0.07 0.09 0.00 0.00 178.44 179.34 1u10 h LEU 269 N 0.91 0.29 -2.02 1.67 3.38 -0.83 -1.22 115.31 117.49 1u10 h LEU 269 Ca 0.19 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1u10 h LEU 269 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1u10 h LEU 269 CO 0.01 0.54 0.11 0.44 0.09 0.00 0.00 178.44 179.63 1u10 h ASP 270 N 0.02 0.00 -0.68 -0.43 3.32 -0.88 -1.30 116.42 116.48 1u10 h ASP 270 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1u10 h ASP 270 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1u10 h ASP 270 CO 0.01 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 1u10 n GLU 271 N -4.46 3.03 -3.36 3.56 1.02 -0.93 -4.96 120.64 114.53 1u10 n GLU 271 Ca 0.01 -2.69 -0.24 0.00 -0.02 0.00 0.00 57.16 54.21 1u10 n GLU 271 Cb 0.23 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1u10 n GLU 271 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1u10 n HIS 272 N 1.39 -2.21 0.74 -0.32 8.25 -0.49 -4.87 115.22 117.72 1u10 n HIS 272 Ca 0.24 0.69 0.13 0.00 -0.26 0.00 0.00 57.72 58.52 1u10 n HIS 272 Cb 0.69 -4.27 0.46 0.00 1.12 0.00 0.00 29.99 27.98 1u10 n HIS 272 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u10 n VAL 273 N -4.56 0.40 1.26 1.59 0.31 -0.50 -5.05 118.33 111.78 1u10 n VAL 273 Ca -0.04 -0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1u10 n VAL 273 Cb 0.58 -0.53 0.32 0.00 -0.91 0.00 0.00 33.84 33.30 1u10 n VAL 273 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13