#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1u s LYS 3 N 0.00 4.53 1.16 1.43 1.02 -1.26 -5.05 119.74 121.57 2x1u s LYS 3 Ca 0.00 1.24 -0.17 0.00 0.02 0.00 0.00 55.97 57.07 2x1u s LYS 3 Cb 0.00 -2.85 0.26 0.00 -0.52 0.00 0.00 37.83 34.72 2x1u s LYS 3 CO 0.00 0.32 1.08 -1.25 -0.92 0.00 0.00 175.35 174.58 2x1u s PRO 4 N -1.97 -0.84 0.07 -1.68 0.04 -1.26 -4.90 135.00 124.46 2x1u s PRO 4 Ca 0.48 0.21 -0.35 0.00 0.04 0.00 0.00 61.00 61.38 2x1u s PRO 4 Cb -0.19 -1.62 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 2x1u s PRO 4 CO 0.24 -3.52 1.62 0.94 0.04 0.00 0.00 177.00 176.32 2x1u n GLN 5 N -4.67 1.96 -1.74 4.56 7.27 -1.26 -4.96 117.38 118.54 2x1u n GLN 5 Ca 0.09 0.71 -0.31 0.00 0.07 0.00 0.00 57.00 57.56 2x1u n GLN 5 Cb 0.58 -2.47 0.03 0.00 2.41 0.00 0.00 30.24 30.79 2x1u n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1u s PRO 6 N 1.66 3.26 -0.02 3.69 0.04 -1.26 -4.91 135.00 137.46 2x1u s PRO 6 Ca 0.84 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2x1u s PRO 6 Cb -0.74 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2x1u s PRO 6 CO 0.43 -0.83 -0.13 0.42 0.04 0.00 0.00 177.00 176.93 2x1u s ILE 7 N -3.13 1.08 -0.19 0.56 1.01 -0.89 -1.39 121.20 118.25 2x1u s ILE 7 Ca 0.57 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2x1u s ILE 7 Cb -0.12 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.46 2x1u s ILE 7 CO 0.54 0.31 -0.14 0.00 0.00 0.00 0.00 174.94 175.65 2x1u s ALA 8 N -0.14 2.13 -0.06 9.38 0.00 -0.76 -1.39 121.76 130.92 2x1u s ALA 8 Ca 0.02 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.82 2x1u s ALA 8 Cb -0.07 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 2x1u s ALA 8 CO 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 175.76 174.95 2x1u s ALA 9 N 1.35 1.77 -0.17 0.00 0.00 0.32 -1.39 121.76 123.64 2x1u s ALA 9 Ca 0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 2x1u s ALA 9 Cb -0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2x1u s ALA 9 CO -0.10 0.30 -0.07 0.00 0.00 0.00 0.00 175.76 175.89 2x1u s ALA 10 N 0.10 2.80 -0.30 0.00 0.00 -0.08 -0.67 121.76 123.61 2x1u s ALA 10 Ca -0.07 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 2x1u s ALA 10 Cb -0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 2x1u s ALA 10 CO 0.04 -0.03 0.16 1.21 0.00 0.00 0.00 175.76 177.14 2x1u s ASN 11 N 0.80 5.66 0.29 0.00 2.47 0.60 -0.62 114.94 124.14 2x1u s ASN 11 Ca -0.03 -0.36 -0.29 0.00 0.42 0.00 0.00 52.86 52.60 2x1u s ASN 11 Cb -0.15 -2.03 -0.10 0.00 -1.45 0.00 0.00 41.25 37.52 2x1u s ASN 11 CO 0.01 -0.15 1.19 0.86 -3.72 0.00 0.00 177.10 175.29 2x1u s TRP 12 N 1.66 3.37 0.01 0.43 -0.11 -0.62 -2.81 118.94 120.87 2x1u s TRP 12 Ca 0.06 1.57 0.02 0.00 1.22 0.00 0.00 56.10 58.96 2x1u s TRP 12 Cb -0.17 -3.45 -0.01 0.00 -1.50 0.00 0.00 33.47 28.35 2x1u s TRP 12 CO 0.07 -1.10 -0.07 -1.59 -4.62 0.00 0.00 176.95 169.65 2x1u s LYS 13 N -1.45 0.51 0.68 5.86 -2.85 -1.26 -4.79 119.74 116.45 2x1u s LYS 13 Ca 0.47 -0.35 -0.17 0.00 -1.00 0.00 0.00 55.97 54.92 2x1u s LYS 13 Cb -0.35 -0.46 0.01 0.00 -2.06 0.00 0.00 37.83 34.98 2x1u s LYS 13 CO 0.45 0.12 1.27 0.45 0.10 0.00 0.00 175.35 177.74 2x1u s SER 15 N -0.48 4.37 0.00 0.03 0.15 -1.26 -3.35 113.70 113.16 2x1u s SER 15 Ca -0.00 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.22 2x1u s SER 15 Cb -0.04 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2x1u s SER 15 CO -0.00 -2.16 0.00 0.61 1.20 0.00 0.00 173.24 172.89 2x1u n GLY 16 N 0.81 0.77 3.58 9.45 0.00 -1.26 -5.02 105.19 113.52 2x1u n GLY 16 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2x1u n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x1u n SER 17 N 0.00 0.94 0.02 1.61 2.88 -1.21 -4.89 113.62 112.97 2x1u n SER 17 Ca 0.00 1.05 0.14 0.00 -1.33 0.00 0.00 58.87 58.73 2x1u n SER 17 Cb 0.00 -1.30 0.55 0.00 -0.75 0.00 0.00 64.21 62.71 2x1u n SER 17 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2x1u n PRO 18 N 0.34 0.06 -3.87 -1.46 -0.02 -1.26 -4.90 135.00 123.89 2x1u n PRO 18 Ca 0.10 0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 2x1u n PRO 18 Cb 0.37 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 2x1u n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x1u s ASP 19 N -3.34 6.34 -0.20 2.55 -0.00 -1.26 -5.06 116.67 115.71 2x1u s ASP 19 Ca 0.13 0.21 -0.29 0.00 -0.00 0.00 0.00 52.55 52.59 2x1u s ASP 19 Cb 0.17 -1.92 0.00 0.00 -0.00 0.00 0.00 42.92 41.17 2x1u s ASP 19 CO 0.55 -0.01 1.07 -0.55 -0.00 0.00 0.00 175.17 176.24 2x1u s SER 20 N -3.44 7.10 0.23 0.27 0.15 -1.26 -4.91 113.70 111.84 2x1u s SER 20 Ca 0.35 1.46 -0.06 0.00 0.70 0.00 0.00 55.95 58.41 2x1u s SER 20 Cb -0.10 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 61.98 2x1u s SER 20 CO 0.29 -0.65 1.84 0.25 1.20 0.00 0.00 173.24 176.17 2x1u h LEU 21 N 9.24 0.76 -0.25 3.45 5.85 -1.97 -0.20 115.31 132.19 2x1u h LEU 21 Ca -0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2x1u h LEU 21 Cb 1.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2x1u h LEU 21 CO 0.96 0.48 0.15 -1.28 -0.34 0.00 0.00 178.44 178.41 2x1u h SER 22 N 0.89 0.30 -0.38 1.25 0.87 -1.99 -1.03 113.55 113.46 2x1u h SER 22 Ca 0.36 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 2x1u h SER 22 Cb 0.19 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2x1u h SER 22 CO -0.18 0.27 0.15 -0.33 -0.53 0.00 0.00 176.83 176.20 2x1u h GLU 23 N 0.31 0.64 -0.26 2.24 5.08 -1.83 -0.80 114.58 119.96 2x1u h GLU 23 Ca 0.09 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2x1u h GLU 23 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2x1u h GLU 23 CO -0.02 0.55 0.01 -0.07 -1.00 0.00 0.00 179.01 178.49 2x1u h LEU 24 N 0.63 0.44 -0.61 1.33 3.38 -0.68 -0.55 115.31 119.25 2x1u h LEU 24 Ca 0.15 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2x1u h LEU 24 Cb 0.18 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2x1u h LEU 24 CO -0.01 0.62 0.31 0.40 0.09 0.00 0.00 178.44 179.85 2x1u h ILE 25 N 0.24 0.93 -0.45 1.22 2.04 -0.88 0.42 117.51 121.02 2x1u h ILE 25 Ca 0.08 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.80 2x1u h ILE 25 Cb 0.39 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2x1u h ILE 25 CO 0.01 0.10 0.15 0.44 0.00 0.00 0.00 178.15 178.85 2x1u h ASP 26 N 0.57 0.13 -0.32 1.72 3.32 -0.93 0.10 116.42 121.03 2x1u h ASP 26 Ca 0.28 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.42 2x1u h ASP 26 Cb 0.21 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2x1u h ASP 26 CO -0.20 0.11 0.12 0.25 -1.72 0.00 0.00 179.24 177.80 2x1u h LEU 27 N 0.31 0.14 -0.41 1.55 5.85 -0.25 -1.89 115.31 120.61 2x1u h LEU 27 Ca 0.22 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2x1u h LEU 27 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2x1u h LEU 27 CO -0.23 0.12 0.19 -0.26 -0.34 0.00 0.00 178.44 177.91 2x1u h PHE 28 N 0.26 0.59 -0.83 1.25 0.04 -0.49 -2.55 116.94 115.22 2x1u h PHE 28 Ca 0.14 -0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.99 2x1u h PHE 28 Cb 0.10 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 2x1u h PHE 28 CO -0.13 0.49 0.54 -0.91 -0.60 0.00 0.00 178.31 177.70 2x1u h ASN 29 N 0.52 0.67 0.10 2.17 2.35 -0.52 -1.90 115.58 118.96 2x1u h ASN 29 Ca 0.14 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2x1u h ASN 29 Cb 0.13 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2x1u h ASN 29 CO -0.02 0.38 -0.04 -1.54 -1.65 0.00 0.00 177.43 174.57 2x1u n SER 30 N -4.52 0.73 -4.70 5.81 3.41 -0.74 -4.79 113.62 108.81 2x1u n SER 30 Ca 0.15 -1.07 -0.40 0.00 -0.26 0.00 0.00 58.87 57.28 2x1u n SER 30 Cb 0.37 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2x1u n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1u s THR 31 N -2.15 5.00 -0.13 6.66 2.01 -0.72 -5.02 115.64 121.30 2x1u s THR 31 Ca 0.38 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 2x1u s THR 31 Cb 0.21 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2x1u s THR 31 CO 0.39 0.19 1.17 -0.44 -0.69 0.00 0.00 174.62 175.24 2x1u s SER 32 N 0.91 7.05 -0.17 3.53 0.01 -1.26 -5.02 113.70 118.75 2x1u s SER 32 Ca 0.38 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2x1u s SER 32 Cb -0.18 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.54 2x1u s SER 32 CO 0.17 -0.64 -0.09 -0.63 0.41 0.00 0.00 173.24 172.46 2x1u s ILE 33 N 2.79 1.38 -1.96 1.44 1.01 -1.26 -5.03 121.20 119.56 2x1u s ILE 33 Ca 0.53 -0.75 0.17 0.00 0.00 0.00 0.00 60.65 60.59 2x1u s ILE 33 Cb -0.21 -1.46 0.20 0.00 0.01 0.00 0.00 42.46 40.99 2x1u s ILE 33 CO 0.16 0.21 1.10 0.59 0.00 0.00 0.00 174.94 177.01 2x1u n ASN 34 N 4.79 2.60 -4.50 3.58 3.02 -1.26 -4.97 115.26 118.52 2x1u n ASN 34 Ca -0.14 -1.76 -0.24 0.00 -0.03 0.00 0.00 54.58 52.41 2x1u n ASN 34 Cb 0.48 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 2x1u n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1u s HIS 35 N -1.32 2.24 -0.64 3.10 -3.43 -1.26 -5.07 115.29 108.91 2x1u s HIS 35 Ca 0.23 -0.54 -0.27 0.00 -0.80 0.00 0.00 55.06 53.68 2x1u s HIS 35 Cb 0.15 -1.24 -0.00 0.00 -1.43 0.00 0.00 32.58 30.05 2x1u s HIS 35 CO 0.22 0.51 1.67 0.34 -2.00 0.00 0.00 174.74 175.48 2x1u s ASP 36 N -3.54 5.57 -0.04 7.38 -1.08 -1.26 -4.94 116.67 118.76 2x1u s ASP 36 Ca 0.31 0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.44 2x1u s ASP 36 Cb 0.02 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.97 2x1u s ASP 36 CO 0.15 -2.18 0.09 0.54 0.52 0.00 0.00 175.17 174.28 2x1u s VAL 37 N 7.95 -0.04 -0.39 1.11 0.11 -1.26 -4.24 120.40 123.63 2x1u s VAL 37 Ca 0.57 0.15 -0.27 0.00 -2.93 0.00 0.00 61.98 59.51 2x1u s VAL 37 Cb -0.11 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.60 2x1u s VAL 37 CO 0.19 0.06 0.99 -1.58 -3.33 0.00 0.00 175.10 171.44 2x1u s GLN 38 N 0.87 3.82 0.02 1.54 2.00 -0.49 -4.90 119.66 122.53 2x1u s GLN 38 Ca -0.07 0.62 -0.14 0.00 -2.00 0.00 0.00 55.36 53.77 2x1u s GLN 38 Cb -0.09 -3.83 -0.06 0.00 0.80 0.00 0.00 33.01 29.83 2x1u s GLN 38 CO -0.03 -1.06 0.42 0.00 -0.50 0.00 0.00 175.29 174.12 2x1u s VAL 40 N -1.16 0.59 -0.30 0.00 1.01 -0.48 -0.78 120.40 119.27 2x1u s VAL 40 Ca 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2x1u s VAL 40 Cb -0.16 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.68 2x1u s VAL 40 CO 0.15 0.23 0.01 -0.69 0.00 0.00 0.00 175.10 174.79 2x1u s VAL 41 N 0.79 3.00 -0.13 2.92 1.01 -0.11 -0.90 120.40 126.98 2x1u s VAL 41 Ca -0.11 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 2x1u s VAL 41 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2x1u s VAL 41 CO 0.01 -0.13 0.51 0.00 0.00 0.00 0.00 175.10 175.48 2x1u s ALA 42 N 1.25 3.48 0.15 5.51 0.00 0.21 -0.86 121.76 131.50 2x1u s ALA 42 Ca -0.05 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.82 2x1u s ALA 42 Cb -0.20 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2x1u s ALA 42 CO -0.01 -0.12 -0.26 0.45 0.00 0.00 0.00 175.76 175.82 2x1u s SER 43 N 0.77 3.37 0.59 0.00 0.15 0.00 -1.58 113.70 117.00 2x1u s SER 43 Ca 0.27 -0.78 -0.16 0.00 0.70 0.00 0.00 55.95 55.98 2x1u s SER 43 Cb -0.15 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2x1u s SER 43 CO 0.11 0.16 1.05 0.28 1.20 0.00 0.00 173.24 176.04 2x1u s THR 44 N -1.25 3.89 0.24 6.45 -1.32 -1.26 -3.82 115.64 118.56 2x1u s THR 44 Ca 0.16 0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 61.47 2x1u s THR 44 Cb -0.09 -3.42 0.23 0.00 -1.51 0.00 0.00 72.50 67.71 2x1u s THR 44 CO 0.07 -0.53 1.68 0.15 -2.21 0.00 0.00 174.62 173.78 2x1u h PHE 45 N 0.45 0.22 0.00 9.09 3.04 -1.97 -0.87 116.94 126.90 2x1u h PHE 45 Ca -0.47 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.52 2x1u h PHE 45 Cb 1.22 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 2x1u h PHE 45 CO 0.59 -0.11 -0.05 -0.39 -2.02 0.00 0.00 178.31 176.33 2x1u h VAL 46 N 0.24 0.55 -0.22 1.41 -1.51 -2.03 -2.25 116.25 112.43 2x1u h VAL 46 Ca 0.41 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 2x1u h VAL 46 Cb 0.70 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2x1u h VAL 46 CO -0.53 0.05 0.00 1.41 -1.23 0.00 0.00 177.57 177.27 2x1u n HIS 47 N -3.78 0.27 -0.07 5.19 8.25 -0.35 -4.58 115.22 120.15 2x1u n HIS 47 Ca -0.03 -0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.20 2x1u n HIS 47 Cb 0.14 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2x1u n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1u h LEU 48 N 4.21 0.25 -0.17 2.41 3.38 -1.17 -1.59 115.31 122.62 2x1u h LEU 48 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2x1u h LEU 48 Cb 0.93 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2x1u h LEU 48 CO 0.00 0.18 0.11 0.00 0.09 0.00 0.00 178.44 178.82 2x1u h ALA 49 N 1.13 0.22 -0.51 1.53 0.00 -1.81 -0.22 119.26 119.60 2x1u h ALA 49 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2x1u h ALA 49 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2x1u h ALA 49 CO -0.06 -0.28 0.25 1.98 0.00 0.00 0.00 179.25 181.14 2x1u h MET 50 N 0.22 0.72 -0.39 0.00 1.85 -1.85 -2.68 114.93 112.80 2x1u h MET 50 Ca 0.06 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2x1u h MET 50 Cb 0.00 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 2x1u h MET 50 CO -0.01 0.59 0.12 1.15 -0.40 0.00 0.00 176.91 178.36 2x1u h THR 51 N 0.67 1.22 -0.74 -0.77 2.02 -1.00 -0.58 112.91 113.73 2x1u h THR 51 Ca 0.18 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.66 2x1u h THR 51 Cb 0.10 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2x1u h THR 51 CO -0.02 0.25 0.49 0.50 0.37 0.00 0.00 175.52 177.10 2x1u h LYS 52 N 0.48 0.92 -0.08 6.66 3.64 -1.01 0.75 116.57 127.93 2x1u h LYS 52 Ca 0.12 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 2x1u h LYS 52 Cb 0.27 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2x1u h LYS 52 CO -0.00 0.61 -0.89 1.49 -2.27 0.00 0.00 179.45 178.39 2x1u h GLU 53 N 0.95 0.75 0.00 1.90 4.57 -1.19 -3.37 114.58 118.20 2x1u h GLU 53 Ca 0.28 -0.70 -0.24 0.00 -1.18 0.00 0.00 59.36 57.52 2x1u h GLU 53 Cb -0.04 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 2x1u h GLU 53 CO -0.07 1.29 -1.46 -0.09 -1.18 0.00 0.00 179.01 177.49 2x1u h ARG 54 N 0.46 0.00 -6.38 1.92 2.43 -0.68 -3.45 114.38 108.69 2x1u h ARG 54 Ca -0.09 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.54 2x1u h ARG 54 Cb 1.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2x1u h ARG 54 CO 0.18 0.54 0.58 -1.17 -1.51 0.00 0.00 179.97 178.59 2x1u s LEU 55 N -6.15 4.32 0.00 3.80 2.96 0.22 -4.89 118.68 118.94 2x1u s LEU 55 Ca -0.03 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 2x1u s LEU 55 Cb 0.08 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2x1u s LEU 55 CO 0.82 -0.47 0.01 -0.24 -1.32 0.00 0.00 176.35 175.14 2x1u n SER 56 N 4.55 0.01 -4.66 3.68 2.88 -1.26 -4.90 113.62 113.91 2x1u n SER 56 Ca 0.09 -0.18 -0.46 0.00 -1.33 0.00 0.00 58.87 56.99 2x1u n SER 56 Cb 0.47 0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 2x1u n SER 56 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2x1u n HIS 57 N -0.24 2.19 0.20 0.66 -0.00 -1.26 -4.86 115.22 111.90 2x1u n HIS 57 Ca 0.00 0.33 0.16 0.00 -0.00 0.00 0.00 57.72 58.21 2x1u n HIS 57 Cb 0.01 -2.51 0.79 0.00 -0.00 0.00 0.00 29.99 28.29 2x1u n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2x1u h PRO 58 N 5.48 0.00 -0.18 1.57 0.11 -1.98 -0.77 132.00 136.23 2x1u h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2x1u h PRO 58 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2x1u h PRO 58 CO 0.85 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.27 2x1u n LYS 59 N -3.99 1.99 -4.25 1.05 5.02 -1.26 -4.91 118.16 111.81 2x1u n LYS 59 Ca 0.01 -1.48 -0.34 0.00 -2.02 0.00 0.00 58.31 54.48 2x1u n LYS 59 Cb 0.29 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 2x1u n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1u s PHE 60 N -1.78 3.18 0.14 2.13 0.40 -0.30 -0.87 117.98 120.89 2x1u s PHE 60 Ca 0.34 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.90 2x1u s PHE 60 Cb 0.20 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2x1u s PHE 60 CO 0.29 0.50 -0.13 0.14 0.70 0.00 0.00 175.22 176.73 2x1u s VAL 61 N -1.04 1.32 0.08 -0.44 -7.23 0.04 -4.84 120.40 108.29 2x1u s VAL 61 Ca 0.18 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 2x1u s VAL 61 Cb -0.12 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 2x1u s VAL 61 CO 0.08 -0.56 0.44 -0.51 -0.31 0.00 0.00 175.10 174.23 2x1u s ILE 62 N -2.69 5.03 0.05 -0.62 1.10 -1.26 -0.93 121.20 121.88 2x1u s ILE 62 Ca 0.13 0.62 0.06 0.00 -0.51 0.00 0.00 60.65 60.95 2x1u s ILE 62 Cb -0.02 -3.68 -0.03 0.00 0.15 0.00 0.00 42.46 38.89 2x1u s ILE 62 CO 0.03 0.34 -0.16 0.00 -2.11 0.00 0.00 174.94 173.03 2x1u s ALA 63 N -1.35 1.39 0.76 1.50 0.00 -0.04 -3.89 121.76 120.14 2x1u s ALA 63 Ca 0.32 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 2x1u s ALA 63 Cb -0.15 -0.21 0.12 0.00 0.00 0.00 0.00 23.12 22.88 2x1u s ALA 63 CO 0.17 0.27 0.80 0.00 0.00 0.00 0.00 175.76 177.00 2x1u n ALA 64 N 1.67 -0.27 -3.26 0.00 0.00 -0.60 -0.82 120.51 117.23 2x1u n ALA 64 Ca -0.19 -1.35 -0.15 0.00 0.00 0.00 0.00 53.44 51.76 2x1u n ALA 64 Cb 0.54 0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.97 2x1u n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x1u s GLN 65 N -4.59 0.16 0.00 0.00 -0.21 -1.25 -1.69 119.66 112.09 2x1u s GLN 65 Ca 0.50 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.90 2x1u s GLN 65 Cb -0.02 -0.26 0.00 0.00 1.00 0.00 0.00 33.01 33.73 2x1u s GLN 65 CO 0.34 -0.05 0.00 0.09 -2.12 0.00 0.00 175.29 173.55 2x1u n ASN 66 N 3.57 0.00 -4.69 5.90 3.02 -0.31 -4.89 115.26 117.85 2x1u n ASN 66 Ca -0.20 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.91 2x1u n ASN 66 Cb 0.55 -1.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 2x1u n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x1u n ALA 67 N 0.94 1.54 0.00 5.41 0.00 -1.26 -4.88 120.51 122.26 2x1u n ALA 67 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2x1u n ALA 67 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2x1u n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1u n GLY 68 N 2.35 0.83 3.72 0.00 0.00 -1.26 -4.93 105.19 105.90 2x1u n GLY 68 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2x1u n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1u s ASN 69 N -0.77 6.75 0.33 1.61 3.84 -1.26 -4.88 114.94 120.56 2x1u s ASN 69 Ca 0.00 0.90 0.04 0.00 0.21 0.00 0.00 52.86 54.01 2x1u s ASN 69 Cb 0.00 -2.32 0.66 0.00 -0.55 0.00 0.00 41.25 39.05 2x1u s ASN 69 CO 0.00 -0.04 1.92 0.00 -2.79 0.00 0.00 177.10 176.19 2x1u h ALA 70 N 6.76 1.65 -0.34 1.71 0.00 -1.96 0.34 119.26 127.42 2x1u h ALA 70 Ca -0.41 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2x1u h ALA 70 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2x1u h ALA 70 CO 0.76 0.20 -0.27 -0.44 0.00 0.00 0.00 179.25 179.50 2x1u h ASP 71 N 0.86 0.73 -0.34 0.00 3.32 -1.99 -1.32 116.42 117.68 2x1u h ASP 71 Ca 0.38 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2x1u h ASP 71 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2x1u h ASP 71 CO -0.15 0.96 -0.22 0.00 -1.72 0.00 0.00 179.24 178.12 2x1u h ALA 72 N 1.09 0.48 -0.26 3.45 0.00 -1.60 -1.82 119.26 120.61 2x1u h ALA 72 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2x1u h ALA 72 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2x1u h ALA 72 CO 0.06 0.45 0.17 -0.07 0.00 0.00 0.00 179.25 179.86 2x1u h LEU 80 N 0.52 0.28 -1.34 0.00 3.38 -0.93 -0.84 115.31 116.38 2x1u h LEU 80 Ca 0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2x1u h LEU 80 Cb 0.77 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2x1u h LEU 80 CO 0.06 0.21 0.49 0.00 0.09 0.00 0.00 178.44 179.29 2x1u h ALA 81 N 1.10 1.67 -0.21 1.53 0.00 -1.12 -0.91 119.26 121.32 2x1u h ALA 81 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2x1u h ALA 81 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2x1u h ALA 81 CO -0.02 0.22 -0.59 1.03 0.00 0.00 0.00 179.25 179.88 2x1u h SER 82 N 0.80 0.76 0.03 0.00 0.87 -0.89 -0.68 113.55 114.44 2x1u h SER 82 Ca 0.32 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2x1u h SER 82 Cb 0.23 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2x1u h SER 82 CO -0.11 1.18 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.29 2x1u h LEU 83 N 0.51 -0.03 -0.31 2.23 3.38 -0.61 -1.35 115.31 119.12 2x1u h LEU 83 Ca -0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2x1u h LEU 83 Cb 1.17 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2x1u h LEU 83 CO 0.12 0.02 -0.14 0.11 0.09 0.00 0.00 178.44 178.64 2x1u h LYS 84 N -0.08 -0.08 -0.59 1.13 1.79 -1.10 0.17 116.57 117.80 2x1u h LYS 84 Ca -0.00 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 2x1u h LYS 84 Cb 0.07 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2x1u h LYS 84 CO 0.01 -0.06 0.41 -0.44 -1.08 0.00 0.00 179.45 178.29 2x1u h ASP 85 N -0.09 0.16 0.75 0.86 3.32 -0.92 0.77 116.42 121.28 2x1u h ASP 85 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2x1u h ASP 85 Cb 0.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2x1u h ASP 85 CO -0.37 0.09 -0.03 0.33 -1.72 0.00 0.00 179.24 177.54 2x1u n PHE 86 N -4.42 0.00 -0.26 4.55 7.35 -0.02 -4.89 117.46 119.76 2x1u n PHE 86 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 2x1u n PHE 86 Cb 0.54 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.99 2x1u n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1u n GLY 87 N 1.39 0.86 3.64 7.13 0.00 0.26 -5.06 105.19 113.42 2x1u n GLY 87 Ca 0.11 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2x1u n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1u s VAL 88 N -2.00 5.09 -0.35 1.61 1.01 -0.79 -4.95 120.40 120.02 2x1u s VAL 88 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2x1u s VAL 88 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2x1u s VAL 88 CO 0.00 0.14 0.45 0.59 0.00 0.00 0.00 175.10 176.28 2x1u n ASN 89 N 5.08 0.90 -4.33 3.32 4.13 -1.26 -3.62 115.26 119.49 2x1u n ASN 89 Ca -0.05 -0.95 -0.22 0.00 1.68 0.00 0.00 54.58 55.04 2x1u n ASN 89 Cb 0.50 0.35 -0.11 0.00 -1.54 0.00 0.00 39.78 38.98 2x1u n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x1u s TRP 90 N -0.66 1.84 -0.10 3.10 0.52 -1.25 -0.32 118.94 122.07 2x1u s TRP 90 Ca 0.03 -0.45 -0.16 0.00 0.02 0.00 0.00 56.10 55.54 2x1u s TRP 90 Cb 0.03 -0.93 0.04 0.00 -1.15 0.00 0.00 33.47 31.45 2x1u s TRP 90 CO 0.08 0.31 0.41 -1.50 0.02 0.00 0.00 176.95 176.27 2x1u s ILE 91 N -1.86 0.02 -0.14 2.03 2.07 -0.65 -1.56 121.20 121.11 2x1u s ILE 91 Ca 0.14 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2x1u s ILE 91 Cb -0.07 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2x1u s ILE 91 CO 0.06 -0.08 0.01 -0.69 -1.91 0.00 0.00 174.94 172.32 2x1u s VAL 92 N -0.41 4.31 0.04 4.00 1.01 -0.68 -0.93 120.40 127.74 2x1u s VAL 92 Ca -0.05 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2x1u s VAL 92 Cb -0.03 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2x1u s VAL 92 CO 0.03 0.52 -0.09 -0.76 0.00 0.00 0.00 175.10 174.80 2x1u s LEU 93 N -0.04 2.20 -0.04 3.92 1.43 -0.50 -1.17 118.68 124.49 2x1u s LEU 93 Ca 0.03 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2x1u s LEU 93 Cb -0.13 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.83 2x1u s LEU 93 CO 0.02 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2x1u n GLY 94 N 1.76 0.47 3.62 -3.19 0.00 -1.26 -1.05 105.19 105.54 2x1u n GLY 94 Ca -0.20 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2x1u n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1u n HIS 95 N -2.91 1.02 -0.32 1.61 -0.00 -1.26 -4.50 115.22 108.85 2x1u n HIS 95 Ca -0.00 0.46 -0.05 0.00 0.46 0.00 0.00 57.72 58.58 2x1u n HIS 95 Cb 0.05 -2.18 -0.03 0.00 -0.12 0.00 0.00 29.99 27.71 2x1u n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1u n SER 96 N -0.46 -0.70 0.17 0.26 3.41 -1.26 -0.79 113.62 114.25 2x1u n SER 96 Ca 0.12 1.39 0.05 0.00 -0.26 0.00 0.00 58.87 60.17 2x1u n SER 96 Cb 0.45 -0.24 0.48 0.00 -0.26 0.00 0.00 64.21 64.65 2x1u n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1u h GLU 97 N 0.00 0.15 -0.82 4.33 9.09 -1.97 -0.12 114.58 125.24 2x1u h GLU 97 Ca 0.19 -0.02 0.11 0.00 0.05 0.00 0.00 59.36 59.68 2x1u h GLU 97 Cb 0.39 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.40 2x1u h GLU 97 CO -0.76 0.23 0.53 0.00 0.05 0.00 0.00 179.01 179.06 2x1u h ARG 98 N 0.14 0.69 0.00 1.06 2.47 -1.28 -0.17 114.38 117.29 2x1u h ARG 98 Ca 0.03 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2x1u h ARG 98 Cb 0.23 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2x1u h ARG 98 CO 0.01 0.45 -0.12 0.00 0.56 0.00 0.00 179.97 180.88 2x1u h ARG 99 N 0.71 0.00 0.00 0.04 3.08 -1.11 0.48 114.38 117.58 2x1u h ARG 99 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2x1u h ARG 99 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2x1u h ARG 99 CO -0.15 0.28 -0.03 0.11 -1.07 0.00 0.00 179.97 179.11 2x1u h TRP 100 N -1.00 0.00 0.00 3.04 5.08 -1.17 -3.07 115.95 118.83 2x1u h TRP 100 Ca -0.02 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.91 2x1u h TRP 100 Cb 0.35 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 2x1u h TRP 100 CO 0.04 0.00 -0.72 0.98 -1.28 0.00 0.00 178.44 177.47 2x1u n TYR 101 N -2.85 0.00 0.25 0.12 9.36 -0.17 -4.76 117.16 119.11 2x1u n TYR 101 Ca 0.04 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.40 2x1u n TYR 101 Cb 0.50 -0.27 0.54 0.00 -0.63 0.00 0.00 39.34 39.49 2x1u n TYR 101 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x1u h TYR 102 N -0.43 0.00 0.00 2.98 0.05 -1.28 -3.47 116.97 114.82 2x1u h TYR 102 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2x1u h TYR 102 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2x1u h TYR 102 CO -0.15 0.08 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 2x1u n GLY 103 N 0.21 0.81 3.64 3.88 0.00 -0.74 -4.99 105.19 108.01 2x1u n GLY 103 Ca 0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2x1u n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1u s GLU 104 N -0.67 3.84 0.75 1.61 2.02 0.08 -4.97 118.70 121.37 2x1u s GLU 104 Ca 0.00 2.16 -0.11 0.00 0.02 0.00 0.00 54.97 57.04 2x1u s GLU 104 Cb 0.00 -4.14 0.05 0.00 0.10 0.00 0.00 34.13 30.14 2x1u s GLU 104 CO 0.00 -1.27 1.12 0.95 0.02 0.00 0.00 175.26 176.08 2x1u s THR 105 N 5.39 2.65 0.24 3.63 -4.23 -1.26 -4.39 115.64 117.68 2x1u s THR 105 Ca 0.84 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 2x1u s THR 105 Cb -0.34 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.51 2x1u s THR 105 CO 0.35 -0.26 1.74 0.78 -0.54 0.00 0.00 174.62 176.69 2x1u h ASN 106 N -0.83 0.31 -0.48 3.99 2.35 -1.97 -0.43 115.58 118.52 2x1u h ASN 106 Ca -0.45 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.42 2x1u h ASN 106 Cb 1.30 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.71 2x1u h ASN 106 CO 0.64 0.13 0.28 -0.33 -1.65 0.00 0.00 177.43 176.50 2x1u h GLU 107 N 0.47 0.54 -0.32 0.81 3.07 -1.92 0.08 114.58 117.30 2x1u h GLU 107 Ca 0.41 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 2x1u h GLU 107 Cb 0.59 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2x1u h GLU 107 CO -0.38 0.36 0.06 0.82 -1.40 0.00 0.00 179.01 178.46 2x1u h ILE 108 N 0.56 1.23 -0.36 3.13 2.04 -1.59 -1.05 117.51 121.47 2x1u h ILE 108 Ca 0.19 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2x1u h ILE 108 Cb 0.03 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2x1u h ILE 108 CO -0.09 0.26 0.15 0.58 0.00 0.00 0.00 178.15 179.05 2x1u h VAL 109 N 0.36 1.18 -0.88 1.67 2.07 -0.90 -1.68 116.25 118.07 2x1u h VAL 109 Ca 0.10 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.13 2x1u h VAL 109 Cb 0.33 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2x1u h VAL 109 CO 0.00 0.20 0.58 0.00 0.02 0.00 0.00 177.57 178.37 2x1u h ALA 110 N 1.00 1.50 -0.64 1.67 0.00 -0.79 -0.58 119.26 121.42 2x1u h ALA 110 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2x1u h ALA 110 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2x1u h ALA 110 CO -0.01 0.38 0.06 -0.44 0.00 0.00 0.00 179.25 179.24 2x1u h ASP 111 N 1.03 1.05 -0.56 0.00 3.32 -0.70 -1.46 116.42 119.09 2x1u h ASP 111 Ca 0.37 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2x1u h ASP 111 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2x1u h ASP 111 CO -0.13 1.06 -0.05 0.11 -1.72 0.00 0.00 179.24 178.51 2x1u h LYS 112 N 1.00 1.03 -0.32 3.56 1.57 -0.47 -0.32 116.57 122.63 2x1u h LYS 112 Ca 0.19 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2x1u h LYS 112 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2x1u h LYS 112 CO 0.02 1.04 0.18 0.28 -0.57 0.00 0.00 179.45 180.40 2x1u h VAL 113 N 0.92 1.13 -0.58 0.50 2.07 -0.87 -0.01 116.25 119.41 2x1u h VAL 113 Ca 0.15 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2x1u h VAL 113 Cb 0.61 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2x1u h VAL 113 CO 0.04 0.13 0.29 0.00 0.02 0.00 0.00 177.57 178.05 2x1u h ALA 114 N 1.05 0.75 -0.29 1.67 0.00 -1.16 0.18 119.26 121.46 2x1u h ALA 114 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2x1u h ALA 114 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2x1u h ALA 114 CO -0.02 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.69 2x1u h ALA 115 N 1.12 0.35 -0.21 0.00 0.00 -0.75 -0.53 119.26 119.24 2x1u h ALA 115 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2x1u h ALA 115 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2x1u h ALA 115 CO -0.03 -0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.09 2x1u h ALA 116 N 1.14 0.27 -0.67 0.00 0.00 -0.78 -1.03 119.26 118.19 2x1u h ALA 116 Ca 0.12 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2x1u h ALA 116 Cb 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2x1u h ALA 116 CO -0.07 -0.17 0.40 0.28 0.00 0.00 0.00 179.25 179.68 2x1u h VAL 117 N 0.21 1.04 0.00 0.00 2.07 -0.81 -1.36 116.25 117.40 2x1u h VAL 117 Ca 0.07 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2x1u h VAL 117 Cb 0.11 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2x1u h VAL 117 CO -0.01 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 2x1u h ALA 118 N 1.31 1.03 -0.00 1.67 0.00 -0.81 -1.10 119.26 121.36 2x1u h ALA 118 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2x1u h ALA 118 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2x1u h ALA 118 CO -0.14 0.06 -0.10 0.43 0.00 0.00 0.00 179.25 179.50 2x1u n SER 119 N -3.19 0.25 0.00 0.00 7.64 -0.41 -4.93 113.62 112.97 2x1u n SER 119 Ca -0.00 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2x1u n SER 119 Cb 0.29 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2x1u n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1u n GLY 120 N 1.35 1.09 3.88 0.23 0.00 -0.42 -4.92 105.19 106.41 2x1u n GLY 120 Ca 0.12 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2x1u n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1u s PHE 121 N -2.00 3.43 0.04 1.61 0.40 -0.69 -4.93 117.98 115.85 2x1u s PHE 121 Ca 0.00 0.86 -0.24 0.00 -0.60 0.00 0.00 56.93 56.95 2x1u s PHE 121 Cb 0.00 -2.25 -0.06 0.00 0.51 0.00 0.00 43.02 41.22 2x1u s PHE 121 CO 0.00 0.22 0.72 -1.64 0.70 0.00 0.00 175.22 175.23 2x1u s MET 122 N -3.01 4.46 -0.13 0.44 -1.94 0.57 -4.48 119.30 115.20 2x1u s MET 122 Ca 0.47 0.99 0.02 0.00 -1.71 0.00 0.00 55.69 55.46 2x1u s MET 122 Cb -0.11 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.40 2x1u s MET 122 CO 0.23 0.33 -0.19 0.08 -0.01 0.00 0.00 175.02 175.47 2x1u s VAL 123 N -0.19 1.80 -0.45 -6.03 1.01 0.06 -1.64 120.40 114.95 2x1u s VAL 123 Ca 0.36 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2x1u s VAL 123 Cb -0.20 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2x1u s VAL 123 CO 0.22 0.50 0.48 -0.63 0.00 0.00 0.00 175.10 175.66 2x1u s ILE 124 N 0.96 5.06 -0.24 2.22 1.01 -0.11 -0.35 121.20 129.76 2x1u s ILE 124 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 2x1u s ILE 124 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2x1u s ILE 124 CO -0.03 -0.54 0.16 0.00 0.00 0.00 0.00 174.94 174.52 2x1u s ALA 125 N 2.17 3.59 -0.04 9.38 0.00 0.47 -1.41 121.76 135.92 2x1u s ALA 125 Ca 0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 2x1u s ALA 125 Cb -0.19 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 2x1u s ALA 125 CO 0.12 -0.20 0.33 0.00 0.00 0.00 0.00 175.76 176.01 2x1u s ILE 127 N -0.95 0.40 0.00 0.00 -4.36 -0.34 -4.63 121.20 111.31 2x1u s ILE 127 Ca 0.21 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 2x1u s ILE 127 Cb -0.15 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.29 2x1u s ILE 127 CO 0.10 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.59 2x1u n GLY 128 N -0.25 3.84 3.92 6.27 0.00 -1.26 -1.40 105.19 116.31 2x1u n GLY 128 Ca -0.04 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 2x1u n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1u s GLU 129 N -2.38 3.55 0.88 1.61 1.03 -1.26 -4.74 118.70 117.38 2x1u s GLU 129 Ca 0.00 -0.20 -0.13 0.00 0.03 0.00 0.00 54.97 54.66 2x1u s GLU 129 Cb 0.00 -2.71 0.14 0.00 -0.80 0.00 0.00 34.13 30.75 2x1u s GLU 129 CO 0.00 0.26 1.24 0.95 -1.33 0.00 0.00 175.26 176.37 2x1u s THR 130 N -2.08 2.01 0.15 1.83 -4.23 -1.26 -1.04 115.64 111.02 2x1u s THR 130 Ca 0.41 -0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 2x1u s THR 130 Cb -0.10 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.77 2x1u s THR 130 CO 0.31 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.35 2x1u h LEU 131 N -1.31 0.66 -0.70 4.79 5.85 -1.97 0.16 115.31 122.80 2x1u h LEU 131 Ca -0.45 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.13 2x1u h LEU 131 Cb 1.28 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2x1u h LEU 131 CO 0.52 0.64 0.45 -0.61 -0.34 0.00 0.00 178.44 179.11 2x1u h GLN 132 N 0.63 0.88 -0.36 1.25 -0.00 -1.98 0.17 115.11 115.70 2x1u h GLN 132 Ca 0.16 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 2x1u h GLN 132 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 2x1u h GLN 132 CO -0.01 0.58 0.05 0.93 0.00 0.00 0.00 178.83 180.38 2x1u h GLU 133 N 0.91 0.61 -0.27 1.69 5.08 -1.88 -1.82 114.58 118.90 2x1u h GLU 133 Ca 0.27 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2x1u h GLU 133 Cb -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2x1u h GLU 133 CO -0.08 0.68 0.02 -0.09 -1.00 0.00 0.00 179.01 178.54 2x1u h ARG 134 N 0.44 0.11 0.00 2.33 9.65 -0.55 -0.08 114.38 126.29 2x1u h ARG 134 Ca 0.11 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2x1u h ARG 134 Cb 0.37 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2x1u h ARG 134 CO 0.01 0.07 0.00 0.39 2.80 0.00 0.00 179.97 183.24 2x1u n GLU 135 N -5.13 0.06 -0.28 0.20 1.02 0.55 -2.59 120.64 114.48 2x1u n GLU 135 Ca -0.01 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.36 2x1u n GLU 135 Cb 0.13 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.21 2x1u n GLU 135 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2x1u n SER 136 N -1.70 3.48 -0.33 1.62 3.41 -0.70 -4.96 113.62 114.43 2x1u n SER 136 Ca 0.05 -2.02 -0.04 0.00 -0.26 0.00 0.00 58.87 56.61 2x1u n SER 136 Cb 0.30 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 2x1u n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1u n GLY 137 N 1.07 0.59 1.27 5.00 0.00 -1.07 -4.93 105.19 107.12 2x1u n GLY 137 Ca 0.18 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.44 2x1u n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1u n ARG 138 N -2.59 3.17 -0.08 1.61 1.74 -0.06 -4.60 116.66 115.85 2x1u n ARG 138 Ca -0.04 -2.64 -0.07 0.00 -0.77 0.00 0.00 57.85 54.33 2x1u n ARG 138 Cb 0.21 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 2x1u n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1u h THR 139 N 3.58 0.71 -0.18 0.55 2.02 -1.85 0.09 112.91 117.84 2x1u h THR 139 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2x1u h THR 139 Cb 1.15 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2x1u h THR 139 CO 0.11 0.00 0.06 0.00 0.37 0.00 0.00 175.52 176.05 2x1u h ALA 140 N 1.29 0.23 -0.46 6.16 0.00 -1.94 -0.19 119.26 124.35 2x1u h ALA 140 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x1u h ALA 140 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2x1u h ALA 140 CO -0.30 -0.15 0.30 0.28 0.00 0.00 0.00 179.25 179.38 2x1u h VAL 141 N 0.11 1.12 0.25 0.00 2.07 -1.81 -1.29 116.25 116.69 2x1u h VAL 141 Ca 0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2x1u h VAL 141 Cb 0.22 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2x1u h VAL 141 CO -0.00 0.11 -0.12 0.58 0.02 0.00 0.00 177.57 178.16 2x1u h VAL 142 N 0.62 0.79 -0.79 2.57 2.07 -0.77 -1.24 116.25 119.50 2x1u h VAL 142 Ca 0.17 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2x1u h VAL 142 Cb -0.07 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2x1u h VAL 142 CO -0.04 0.05 0.29 0.58 0.02 0.00 0.00 177.57 178.48 2x1u h VAL 143 N -0.45 1.26 -0.11 2.57 2.07 -0.93 -1.59 116.25 119.07 2x1u h VAL 143 Ca -0.03 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 2x1u h VAL 143 Cb 0.34 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2x1u h VAL 143 CO 0.06 0.35 -0.48 -0.07 0.02 0.00 0.00 177.57 177.45 2x1u h LEU 144 N 1.15 0.30 -0.40 2.57 3.38 -1.19 -1.90 115.31 119.22 2x1u h LEU 144 Ca 0.26 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2x1u h LEU 144 Cb 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2x1u h LEU 144 CO -0.02 0.74 -0.04 0.74 0.09 0.00 0.00 178.44 179.94 2x1u h THR 145 N 0.23 1.27 -0.40 0.22 2.02 -0.81 -1.10 112.91 114.33 2x1u h THR 145 Ca 0.01 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2x1u h THR 145 Cb 0.93 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2x1u h THR 145 CO 0.08 0.37 0.20 1.56 0.37 0.00 0.00 175.52 178.09 2x1u h GLN 146 N 0.55 0.58 -0.02 6.66 4.20 -1.08 -1.88 115.11 124.12 2x1u h GLN 146 Ca 0.11 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2x1u h GLN 146 Cb 0.54 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2x1u h GLN 146 CO 0.03 0.49 -0.72 0.97 -0.67 0.00 0.00 178.83 178.93 2x1u h ILE 147 N 0.52 1.46 -0.82 2.54 2.10 -1.35 -3.01 117.51 118.95 2x1u h ILE 147 Ca 0.14 -2.32 -0.04 0.00 1.08 0.00 0.00 64.86 63.72 2x1u h ILE 147 Cb 0.10 2.24 -0.04 0.00 -1.09 0.00 0.00 36.82 38.04 2x1u h ILE 147 CO -0.02 0.67 0.37 0.00 -1.08 0.00 0.00 178.15 178.09 2x1u h ALA 148 N 1.16 1.09 -0.50 0.18 0.00 -0.98 -0.64 119.26 119.57 2x1u h ALA 148 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x1u h ALA 148 Cb 1.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2x1u h ALA 148 CO 0.11 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.34 2x1u h ALA 149 N 1.21 0.64 -0.19 0.00 0.00 -1.29 -1.45 119.26 118.18 2x1u h ALA 149 Ca 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x1u h ALA 149 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2x1u h ALA 149 CO -0.03 0.10 0.11 0.82 0.00 0.00 0.00 179.25 180.25 2x1u h ILE 150 N 0.67 1.10 0.00 0.00 2.04 -1.36 -2.92 117.51 117.05 2x1u h ILE 150 Ca 0.18 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2x1u h ILE 150 Cb -0.05 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2x1u h ILE 150 CO -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.18 2x1u h ALA 151 N 1.00 1.87 0.00 1.87 0.00 -0.82 -2.09 119.26 121.08 2x1u h ALA 151 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2x1u h ALA 151 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2x1u h ALA 151 CO -0.01 0.05 -0.22 -0.22 0.00 0.00 0.00 179.25 178.85 2x1u h LYS 152 N 0.00 0.00 -0.29 0.00 3.64 -1.07 -2.47 116.57 116.38 2x1u h LYS 152 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x1u h LYS 152 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2x1u h LYS 152 CO 0.00 0.22 0.00 1.63 -2.27 0.00 0.00 179.45 179.03 2x1u n LYS 153 N -3.87 2.33 -4.42 1.90 4.76 -0.79 -4.96 118.16 113.11 2x1u n LYS 153 Ca -0.02 -2.00 -0.25 0.00 -2.87 0.00 0.00 58.31 53.17 2x1u n LYS 153 Cb 0.31 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 2x1u n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1u s LEU 154 N -1.59 2.61 0.28 -0.35 1.43 -0.93 -4.77 118.68 115.36 2x1u s LEU 154 Ca 0.36 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 2x1u s LEU 154 Cb 0.21 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2x1u s LEU 154 CO 0.31 0.07 0.29 -0.54 0.23 0.00 0.00 176.35 176.71 2x1u s LYS 155 N -3.14 3.00 0.25 1.70 1.02 -1.26 -4.97 119.74 116.34 2x1u s LYS 155 Ca 0.26 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 2x1u s LYS 155 Cb -0.07 -2.64 0.46 0.00 -0.52 0.00 0.00 37.83 35.07 2x1u s LYS 155 CO 0.13 0.28 1.78 -0.22 -0.92 0.00 0.00 175.35 176.40 2x1u h LYS 156 N 1.28 0.66 0.00 1.68 3.64 -1.96 0.17 116.57 122.04 2x1u h LYS 156 Ca -0.48 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2x1u h LYS 156 Cb 1.24 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2x1u h LYS 156 CO 0.59 0.44 -0.04 0.00 -2.27 0.00 0.00 179.45 178.17 2x1u h ALA 157 N 1.51 1.14 0.00 5.00 0.00 -2.00 -2.91 119.26 121.99 2x1u h ALA 157 Ca 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2x1u h ALA 157 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2x1u h ALA 157 CO -0.31 0.05 -0.23 -0.44 0.00 0.00 0.00 179.25 178.32 2x1u h ASP 158 N 0.00 0.00 0.34 0.00 3.32 -1.05 -3.02 116.42 116.00 2x1u h ASP 158 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x1u h ASP 158 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2x1u h ASP 158 CO 0.00 0.23 -0.00 -0.50 -1.72 0.00 0.00 179.24 177.25 2x1u h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.61 0.51 115.95 123.46 2x1u h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x1u h TRP 159 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2x1u h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2x1u h ALA 160 N 2.00 1.00 -0.28 1.49 0.00 -1.76 -1.78 119.26 119.93 2x1u h ALA 160 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1u h ALA 160 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2x1u h ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2x1u n LYS 161 N -2.45 2.36 -4.83 0.00 4.76 0.17 -4.99 118.16 113.17 2x1u n LYS 161 Ca -0.01 -1.86 -0.33 0.00 -2.87 0.00 0.00 58.31 53.24 2x1u n LYS 161 Cb 0.12 -1.26 -0.13 0.00 -1.84 0.00 0.00 35.03 31.92 2x1u n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1u s VAL 162 N -0.99 3.22 -0.03 -0.18 1.01 -0.67 -0.76 120.40 121.99 2x1u s VAL 162 Ca 0.21 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2x1u s VAL 162 Cb 0.12 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2x1u s VAL 162 CO 0.15 0.59 -0.10 -0.69 0.00 0.00 0.00 175.10 175.06 2x1u s VAL 163 N -0.75 0.87 -0.16 2.92 1.01 0.52 -4.61 120.40 120.20 2x1u s VAL 163 Ca 0.12 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 2x1u s VAL 163 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2x1u s VAL 163 CO 0.01 0.28 0.10 -0.63 0.00 0.00 0.00 175.10 174.86 2x1u s ILE 164 N 0.30 5.19 -0.29 2.22 -1.09 -0.76 -0.40 121.20 126.37 2x1u s ILE 164 Ca -0.05 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 2x1u s ILE 164 Cb -0.10 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2x1u s ILE 164 CO 0.01 0.51 0.03 0.00 -1.23 0.00 0.00 174.94 174.27 2x1u s ALA 165 N -0.17 2.91 -0.25 9.38 0.00 0.18 -0.29 121.76 133.51 2x1u s ALA 165 Ca 0.09 -1.58 -0.25 0.00 0.00 0.00 0.00 51.96 50.22 2x1u s ALA 165 Cb -0.12 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 2x1u s ALA 165 CO 0.01 -1.06 0.87 -0.47 0.00 0.00 0.00 175.76 175.11 2x1u s TYR 166 N 1.38 3.29 -0.21 0.00 5.04 0.08 -1.20 117.35 125.73 2x1u s TYR 166 Ca -0.01 1.15 -0.04 0.00 -2.44 0.00 0.00 57.07 55.73 2x1u s TYR 166 Cb -0.18 -3.13 0.07 0.00 0.35 0.00 0.00 41.96 39.07 2x1u s TYR 166 CO -0.00 -0.45 0.08 -1.21 -1.34 0.00 0.00 175.55 172.63 2x1u s GLU 167 N 2.95 0.30 0.13 4.97 2.02 -0.49 -1.13 118.70 127.45 2x1u s GLU 167 Ca 0.36 -0.35 -0.31 0.00 0.02 0.00 0.00 54.97 54.69 2x1u s GLU 167 Cb -0.15 -1.78 -0.10 0.00 0.10 0.00 0.00 34.13 32.21 2x1u s GLU 167 CO 0.08 -0.76 1.62 -2.14 0.02 0.00 0.00 175.26 174.08 2x1u s PRO 168 N 2.01 4.20 0.32 0.39 0.02 -1.26 -4.20 135.00 136.49 2x1u s PRO 168 Ca 0.03 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.45 2x1u s PRO 168 Cb -0.16 -3.34 0.61 0.00 0.02 0.00 0.00 34.50 31.63 2x1u s PRO 168 CO -0.16 -0.67 1.91 0.28 -0.33 0.00 0.00 177.00 178.03 2x1u h VAL 169 N 4.33 1.02 0.00 3.83 2.07 -1.38 0.12 116.25 126.24 2x1u h VAL 169 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2x1u h VAL 169 Cb 1.20 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2x1u h VAL 169 CO 0.92 0.17 0.00 -2.67 0.02 0.00 0.00 177.57 176.01 2x1u n TRP 170 N -4.50 0.00 0.83 1.57 4.27 -1.26 -1.87 117.44 116.48 2x1u n TRP 170 Ca 0.14 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.83 2x1u n TRP 170 Cb 0.25 -0.37 -0.08 0.00 -1.36 0.00 0.00 31.31 29.75 2x1u n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1u n ALA 171 N -1.37 4.06 -2.57 -1.67 0.00 0.42 -4.62 120.51 114.75 2x1u n ALA 171 Ca 0.03 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 2x1u n ALA 171 Cb 0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 2x1u n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1u s ILE 172 N -2.53 4.43 0.00 0.00 1.01 -0.78 -1.47 121.20 121.86 2x1u s ILE 172 Ca 0.09 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2x1u s ILE 172 Cb 0.14 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2x1u s ILE 172 CO 0.66 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 175.36 2x1u n GLY 173 N 4.89 0.67 0.00 6.18 0.00 -1.26 -4.87 105.19 110.80 2x1u n GLY 173 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2x1u n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1u n THR 174 N -2.32 0.00 -0.92 2.61 -2.24 -1.25 -4.95 114.28 105.21 2x1u n THR 174 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2x1u n THR 174 Cb 0.03 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2x1u n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1u n GLY 175 N 1.46 0.47 3.22 3.38 0.00 -1.26 -4.97 105.19 107.49 2x1u n GLY 175 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2x1u n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1u s LYS 176 N -0.54 3.02 0.48 1.61 2.47 -1.26 -5.04 119.74 120.47 2x1u s LYS 176 Ca 0.00 -2.34 -0.19 0.00 -1.56 0.00 0.00 55.97 51.88 2x1u s LYS 176 Cb 0.00 -4.09 -0.09 0.00 -1.46 0.00 0.00 37.83 32.19 2x1u s LYS 176 CO 0.00 -1.24 0.99 0.54 0.16 0.00 0.00 175.35 175.80 2x1u s VAL 177 N 0.34 4.25 0.39 4.02 0.11 -1.26 -4.12 120.40 124.12 2x1u s VAL 177 Ca 0.15 1.28 -0.26 0.00 -2.93 0.00 0.00 61.98 60.21 2x1u s VAL 177 Cb -0.17 -3.58 -0.09 0.00 -1.53 0.00 0.00 36.38 31.01 2x1u s VAL 177 CO -0.05 -0.42 1.26 0.00 -3.33 0.00 0.00 175.10 172.56 2x1u s ALA 178 N -2.28 3.27 0.81 1.54 0.00 -1.26 -5.01 121.76 118.83 2x1u s ALA 178 Ca 0.62 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 2x1u s ALA 178 Cb -0.11 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.63 2x1u s ALA 178 CO 0.22 -0.70 1.09 0.95 0.00 0.00 0.00 175.76 177.31 2x1u s THR 179 N -1.28 3.12 0.36 0.00 -4.23 -1.26 -4.75 115.64 107.61 2x1u s THR 179 Ca 0.55 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.50 2x1u s THR 179 Cb -0.36 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 70.90 2x1u s THR 179 CO 0.47 -0.47 1.93 -0.65 -0.54 0.00 0.00 174.62 175.35 2x1u h PRO 180 N -1.25 0.70 -0.35 3.99 0.11 -1.95 0.52 132.00 133.78 2x1u h PRO 180 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2x1u h PRO 180 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2x1u h PRO 180 CO 0.53 0.46 -0.03 0.37 -0.21 0.00 0.00 178.00 179.13 2x1u h GLN 181 N 0.72 0.63 -0.14 1.05 4.15 -1.98 0.53 115.11 120.07 2x1u h GLN 181 Ca 0.36 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2x1u h GLN 181 Cb 0.44 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2x1u h GLN 181 CO -0.14 0.77 0.07 1.96 -1.93 0.00 0.00 178.83 179.56 2x1u h GLN 182 N 0.44 0.20 0.03 1.69 4.20 -1.73 0.00 115.11 119.93 2x1u h GLN 182 Ca 0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2x1u h GLN 182 Cb 0.50 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2x1u h GLN 182 CO 0.02 0.22 -0.01 0.00 -0.67 0.00 0.00 178.83 178.39 2x1u h ALA 183 N 0.96 -0.03 -0.64 3.87 0.00 -0.85 -1.96 119.26 120.61 2x1u h ALA 183 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x1u h ALA 183 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2x1u h ALA 183 CO -0.01 -0.52 0.41 0.37 0.00 0.00 0.00 179.25 179.51 2x1u h GLN 184 N -0.04 0.85 -0.56 0.00 5.75 -0.77 -0.58 115.11 119.76 2x1u h GLN 184 Ca -0.00 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2x1u h GLN 184 Cb 0.03 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 2x1u h GLN 184 CO 0.01 0.57 0.26 0.93 -2.65 0.00 0.00 178.83 177.95 2x1u h GLU 185 N 0.87 0.81 -0.35 1.69 5.08 -0.87 0.66 114.58 122.47 2x1u h GLU 185 Ca 0.23 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2x1u h GLU 185 Cb -0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2x1u h GLU 185 CO -0.05 0.67 0.06 0.00 -1.00 0.00 0.00 179.01 178.69 2x1u h ALA 186 N 1.10 0.46 -0.59 3.43 0.00 -1.00 -1.60 119.26 121.05 2x1u h ALA 186 Ca 0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2x1u h ALA 186 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2x1u h ALA 186 CO -0.02 0.16 0.15 0.45 0.00 0.00 0.00 179.25 179.99 2x1u h HIS 187 N 0.41 0.99 -0.77 0.00 3.86 -0.95 -2.08 115.15 116.62 2x1u h HIS 187 Ca 0.11 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2x1u h HIS 187 Cb 0.35 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 2x1u h HIS 187 CO 0.02 0.84 0.35 0.00 0.86 0.00 0.00 177.93 180.00 2x1u h ALA 188 N 1.04 1.17 0.01 2.45 0.00 -0.73 0.07 119.26 123.27 2x1u h ALA 188 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x1u h ALA 188 Cb 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2x1u h ALA 188 CO 0.00 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.10 2x1u h LEU 189 N 1.10 -0.06 -0.25 0.00 5.85 -1.06 0.53 115.31 121.41 2x1u h LEU 189 Ca 0.26 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2x1u h LEU 189 Cb 0.14 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2x1u h LEU 189 CO -0.03 -0.04 0.11 0.40 -0.34 0.00 0.00 178.44 178.55 2x1u h ILE 190 N -0.05 0.98 -0.63 4.05 2.04 -1.01 -1.56 117.51 121.33 2x1u h ILE 190 Ca 0.01 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 2x1u h ILE 190 Cb 0.05 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2x1u h ILE 190 CO -0.02 0.04 0.06 -0.09 0.00 0.00 0.00 178.15 178.14 2x1u h ARG 191 N 0.25 1.08 -0.57 2.37 2.43 -0.75 -1.07 114.38 118.11 2x1u h ARG 191 Ca 0.10 -0.32 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2x1u h ARG 191 Cb 0.04 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 2x1u h ARG 191 CO -0.08 1.03 0.31 1.03 -1.51 0.00 0.00 179.97 180.74 2x1u h SER 192 N 0.99 0.45 -0.05 -3.80 0.87 -0.70 0.68 113.55 112.01 2x1u h SER 192 Ca 0.19 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2x1u h SER 192 Cb 0.50 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2x1u h SER 192 CO 0.02 0.31 0.03 -0.25 -0.53 0.00 0.00 176.83 176.40 2x1u h TRP 193 N 0.59 0.06 -1.00 2.24 7.01 -0.65 -1.54 115.95 122.66 2x1u h TRP 193 Ca 0.25 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.29 2x1u h TRP 193 Cb 0.14 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.12 2x1u h TRP 193 CO -0.09 0.10 0.65 0.28 -2.79 0.00 0.00 178.44 176.60 2x1u h VAL 194 N 0.00 1.17 -0.31 2.65 2.07 -0.84 0.05 116.25 121.05 2x1u h VAL 194 Ca 0.02 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2x1u h VAL 194 Cb 0.06 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2x1u h VAL 194 CO -0.00 0.23 0.08 -1.28 0.02 0.00 0.00 177.57 176.62 2x1u h SER 195 N 1.26 0.46 0.90 0.57 0.87 -0.57 0.32 113.55 117.36 2x1u h SER 195 Ca 0.40 -0.22 -0.19 0.00 -1.23 0.00 0.00 61.79 60.55 2x1u h SER 195 Cb 0.01 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2x1u h SER 195 CO -0.13 0.56 -0.89 0.77 -0.53 0.00 0.00 176.83 176.62 2x1u h SER 196 N 0.34 0.00 0.13 6.23 4.64 -1.01 -2.77 113.55 121.11 2x1u h SER 196 Ca 0.10 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.12 2x1u h SER 196 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 2x1u h SER 196 CO -0.00 0.89 -2.16 0.29 -0.87 0.00 0.00 176.83 174.98 2x1u n LYS 197 N -3.47 0.67 -0.06 4.77 4.76 -0.02 -4.71 118.16 120.10 2x1u n LYS 197 Ca -0.00 0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 2x1u n LYS 197 Cb 0.85 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.40 2x1u n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1u n ILE 198 N -2.75 0.70 0.00 -0.18 2.08 0.10 -5.06 119.36 114.26 2x1u n ILE 198 Ca -0.25 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 62.82 2x1u n ILE 198 Cb 1.05 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.71 2x1u n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1u n GLY 199 N 2.63 4.41 0.35 7.39 0.00 -0.64 -4.88 105.19 114.44 2x1u n GLY 199 Ca -0.23 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2x1u n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1u h ALA 200 N 0.00 1.23 0.39 4.61 0.00 -1.81 -0.19 119.26 123.49 2x1u h ALA 200 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x1u h ALA 200 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2x1u h ALA 200 CO 0.00 0.52 -0.49 0.38 0.00 0.00 0.00 179.25 179.66 2x1u h ASP 201 N 1.22 -1.36 -0.57 0.00 3.04 -1.93 0.44 116.42 117.25 2x1u h ASP 201 Ca 0.36 0.12 0.10 0.00 -3.24 0.00 0.00 57.03 54.38 2x1u h ASP 201 Cb -0.05 0.47 -0.08 0.00 -1.04 0.00 0.00 39.33 38.63 2x1u h ASP 201 CO -0.11 -0.62 0.13 0.58 -2.04 0.00 0.00 179.24 177.18 2x1u h VAL 202 N -0.91 0.68 -0.84 4.15 2.07 -1.86 -1.95 116.25 117.60 2x1u h VAL 202 Ca -0.04 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2x1u h VAL 202 Cb 0.82 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2x1u h VAL 202 CO -0.12 0.05 0.53 0.00 0.02 0.00 0.00 177.57 178.05 2x1u h ALA 203 N 1.44 1.13 -0.34 1.67 0.00 -0.65 -1.12 119.26 121.40 2x1u h ALA 203 Ca 0.29 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2x1u h ALA 203 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x1u h ALA 203 CO -0.37 0.31 -0.09 0.78 0.00 0.00 0.00 179.25 179.89 2x1u h GLY 204 N 0.99 0.62 1.09 0.00 0.00 -0.18 -2.92 103.07 102.68 2x1u h GLY 204 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2x1u h GLY 204 CO -0.15 0.39 -0.51 1.18 0.00 0.00 0.00 176.54 177.45 2x1u n GLU 205 N -4.21 0.08 -2.35 4.80 -0.58 -0.89 -4.59 120.64 112.89 2x1u n GLU 205 Ca 0.01 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2x1u n GLU 205 Cb 0.32 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 2x1u n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x1u s LEU 206 N -3.31 4.33 -0.22 -4.62 2.96 -0.47 -4.85 118.68 112.50 2x1u s LEU 206 Ca 0.10 2.02 -0.27 0.00 -0.22 0.00 0.00 54.13 55.76 2x1u s LEU 206 Cb 0.17 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 2x1u s LEU 206 CO 0.70 -0.58 0.92 -0.13 -1.32 0.00 0.00 176.35 175.94 2x1u s ARG 207 N 1.72 4.24 -0.28 1.98 3.00 -1.26 -4.92 118.95 123.43 2x1u s ARG 207 Ca 0.60 1.15 -0.03 0.00 0.00 0.00 0.00 55.73 57.45 2x1u s ARG 207 Cb -0.29 -3.63 0.03 0.00 0.00 0.00 0.00 34.95 31.06 2x1u s ARG 207 CO 0.27 -0.52 -0.01 0.42 0.00 0.00 0.00 175.30 175.45 2x1u s ILE 208 N 2.84 3.11 0.07 1.52 1.01 -1.26 -1.82 121.20 126.66 2x1u s ILE 208 Ca 0.40 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2x1u s ILE 208 Cb -0.16 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 2x1u s ILE 208 CO 0.08 0.06 0.29 -0.76 0.00 0.00 0.00 174.94 174.61 2x1u s LEU 209 N 1.33 4.33 -0.04 2.97 1.43 0.60 -1.00 118.68 128.30 2x1u s LEU 209 Ca -0.01 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2x1u s LEU 209 Cb -0.18 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 2x1u s LEU 209 CO -0.02 0.17 0.19 -0.47 0.23 0.00 0.00 176.35 176.45 2x1u s TYR 210 N -1.47 3.57 0.04 0.29 5.04 -0.21 -0.74 117.35 123.87 2x1u s TYR 210 Ca 0.34 0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 55.36 2x1u s TYR 210 Cb -0.13 -1.90 -0.00 0.00 0.35 0.00 0.00 41.96 40.28 2x1u s TYR 210 CO 0.22 0.67 0.14 0.20 -1.34 0.00 0.00 175.55 175.44 2x1u s GLY 211 N -1.61 0.11 0.00 8.97 0.00 -0.28 -1.51 107.32 112.99 2x1u s GLY 211 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2x1u s GLY 211 CO 0.14 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.26 2x1u n GLY 212 N 0.71 2.06 2.34 0.20 0.00 -1.25 -3.99 105.19 105.26 2x1u n GLY 212 Ca -0.19 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 2x1u n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1u n SER 213 N 0.00 -4.66 -4.75 1.61 7.64 -0.54 -4.33 113.62 108.59 2x1u n SER 213 Ca 0.00 0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.59 2x1u n SER 213 Cb 0.00 -3.69 -0.03 0.00 -1.01 0.00 0.00 64.21 59.48 2x1u n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1u s VAL 214 N -2.69 3.08 0.28 0.44 1.01 -1.26 -4.65 120.40 116.61 2x1u s VAL 214 Ca 0.00 0.93 0.05 0.00 0.00 0.00 0.00 61.98 62.96 2x1u s VAL 214 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2x1u s VAL 214 CO 0.00 0.16 0.19 -0.46 0.00 0.00 0.00 175.10 174.99 2x1u n ASN 215 N 2.16 -0.02 -0.28 3.32 2.04 -1.26 -4.92 115.26 116.30 2x1u n ASN 215 Ca 0.05 -2.72 -0.04 0.00 -0.44 0.00 0.00 54.58 51.42 2x1u n ASN 215 Cb 0.42 1.16 0.12 0.00 -2.53 0.00 0.00 39.78 38.95 2x1u n ASN 215 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2x1u h GLY 216 N 1.51 1.24 0.84 4.83 0.00 -1.87 -1.81 103.07 107.80 2x1u h GLY 216 Ca -0.21 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 2x1u h GLY 216 CO 0.31 0.57 -0.40 0.50 0.00 0.00 0.00 176.54 177.52 2x1u h LYS 217 N 1.15 -1.08 0.00 4.80 1.57 -1.97 -3.33 116.57 117.71 2x1u h LYS 217 Ca 0.28 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2x1u h LYS 217 Cb 0.09 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2x1u h LYS 217 CO -0.04 -0.72 0.00 -2.95 -0.57 0.00 0.00 179.45 175.17 2x1u h ASN 218 N -1.15 0.00 -0.58 0.86 7.08 -1.94 -3.29 115.58 116.57 2x1u h ASN 218 Ca -0.11 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.07 2x1u h ASN 218 Cb 0.86 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.07 2x1u h ASN 218 CO 0.19 0.00 0.22 0.00 -2.08 0.00 0.00 177.43 175.76 2x1u h ALA 219 N 2.42 1.23 0.23 4.14 0.00 -1.44 -2.57 119.26 123.27 2x1u h ALA 219 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2x1u h ALA 219 Cb 0.69 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2x1u h ALA 219 CO 0.00 0.55 -0.26 -0.09 0.00 0.00 0.00 179.25 179.45 2x1u h ARG 220 N 0.89 -0.51 -0.44 0.00 2.43 -1.73 0.14 114.38 115.16 2x1u h ARG 220 Ca 0.21 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2x1u h ARG 220 Cb 0.21 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2x1u h ARG 220 CO -0.01 -0.34 -0.04 1.15 -1.51 0.00 0.00 179.97 179.21 2x1u h THR 221 N -0.53 1.24 -0.42 0.20 2.02 -1.78 -2.73 112.91 110.91 2x1u h THR 221 Ca 0.00 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2x1u h THR 221 Cb 0.51 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2x1u h THR 221 CO -0.08 0.36 0.16 -0.07 0.37 0.00 0.00 175.52 176.26 2x1u h LEU 222 N 0.69 0.59 -1.93 2.58 3.38 -1.07 -2.70 115.31 116.85 2x1u h LEU 222 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2x1u h LEU 222 Cb 0.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2x1u h LEU 222 CO 0.02 0.61 -0.11 0.22 0.09 0.00 0.00 178.44 179.28 2x1u h TYR 223 N 0.54 0.00 0.00 1.13 3.20 -0.69 -1.76 116.97 119.38 2x1u h TYR 223 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2x1u h TYR 223 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2x1u h TYR 223 CO 0.00 0.11 0.00 1.96 -1.64 0.00 0.00 178.16 178.59 2x1u h GLN 224 N 0.00 0.00 -7.02 1.82 1.08 -1.20 -3.45 115.11 106.34 2x1u h GLN 224 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 2x1u h GLN 224 Cb 0.34 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.86 2x1u h GLN 224 CO 0.01 0.00 0.53 -0.65 -0.95 0.00 0.00 178.83 177.77 2x1u s GLN 225 N -3.39 3.51 0.30 1.46 -1.52 -0.66 -4.92 119.66 114.44 2x1u s GLN 225 Ca 0.03 1.93 0.02 0.00 -1.95 0.00 0.00 55.36 55.39 2x1u s GLN 225 Cb 0.09 -2.33 0.58 0.00 -0.22 0.00 0.00 33.01 31.12 2x1u s GLN 225 CO 0.40 -0.80 1.87 -0.09 -0.25 0.00 0.00 175.29 176.43 2x1u h ARG 226 N 1.80 0.95 -0.32 2.91 2.43 -1.89 -2.92 114.38 117.33 2x1u h ARG 226 Ca -0.50 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2x1u h ARG 226 Cb 1.27 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2x1u h ARG 226 CO 0.59 0.63 0.00 -0.25 -1.51 0.00 0.00 179.97 179.43 2x1u n ASP 227 N -4.56 3.65 -4.63 -3.80 9.92 -1.26 -4.92 116.55 110.95 2x1u n ASP 227 Ca 0.17 -2.63 -0.38 0.00 -0.53 0.00 0.00 54.79 51.42 2x1u n ASP 227 Cb 0.31 -0.44 -0.09 0.00 -0.64 0.00 0.00 41.12 40.25 2x1u n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1u s VAL 228 N -2.13 5.26 -0.29 2.53 1.01 -1.10 -4.61 120.40 121.07 2x1u s VAL 228 Ca 0.36 0.39 0.15 0.00 0.00 0.00 0.00 61.98 62.88 2x1u s VAL 228 Cb 0.26 -3.61 0.38 0.00 0.00 0.00 0.00 36.38 33.42 2x1u s VAL 228 CO 0.12 0.25 1.29 0.59 0.00 0.00 0.00 175.10 177.35 2x1u n ASN 229 N 4.81 3.18 0.00 3.32 4.13 -0.17 -4.85 115.26 125.67 2x1u n ASN 229 Ca -0.12 -2.75 0.00 0.00 1.68 0.00 0.00 54.58 53.39 2x1u n ASN 229 Cb 0.51 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2x1u n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1u n GLY 230 N -0.53 0.96 3.13 7.41 0.00 -1.26 -2.10 105.19 112.79 2x1u n GLY 230 Ca 0.16 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 2x1u n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1u s PHE 231 N -2.76 0.10 -0.10 1.61 0.08 -0.49 -1.04 117.98 115.38 2x1u s PHE 231 Ca 0.00 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2x1u s PHE 231 Cb 0.00 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 2x1u s PHE 231 CO 0.00 -0.34 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.45 2x1u s LEU 232 N -1.79 2.60 0.20 -0.37 2.96 -0.57 -0.53 118.68 121.18 2x1u s LEU 232 Ca -0.09 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.31 2x1u s LEU 232 Cb -0.04 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2x1u s LEU 232 CO -0.02 0.22 0.51 0.00 -1.32 0.00 0.00 176.35 175.75 2x1u s ALA 233 N 0.02 -0.86 0.56 5.97 0.00 0.16 -3.86 121.76 123.74 2x1u s ALA 233 Ca -0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.40 2x1u s ALA 233 Cb -0.15 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2x1u s ALA 233 CO 0.04 -0.81 1.35 0.20 0.00 0.00 0.00 175.76 176.55 2x1u s GLY 234 N -2.89 2.89 -0.93 0.00 0.00 -1.26 -0.29 107.32 104.83 2x1u s GLY 234 Ca 0.10 1.32 -0.24 0.00 0.00 0.00 0.00 44.72 45.91 2x1u s GLY 234 CO -0.02 1.83 1.57 -2.27 0.00 0.00 0.00 173.10 174.22 2x1u s LEU 238 N -3.63 3.36 0.26 0.66 2.96 -1.12 -4.65 118.68 116.52 2x1u s LEU 238 Ca 0.73 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 2x1u s LEU 238 Cb -0.40 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.72 2x1u s LEU 238 CO 0.47 -1.90 0.48 -1.59 -1.32 0.00 0.00 176.35 172.49 2x1u s LYS 239 N 5.69 1.60 0.41 1.98 -2.85 -1.26 -4.94 119.74 120.37 2x1u s LYS 239 Ca 0.52 -1.31 0.12 0.00 -1.00 0.00 0.00 55.97 54.29 2x1u s LYS 239 Cb -0.03 0.47 0.95 0.00 -2.06 0.00 0.00 37.83 37.16 2x1u s LYS 239 CO -0.03 -0.66 1.96 -1.35 0.10 0.00 0.00 175.35 175.37 2x1u h PRO 240 N 2.24 0.49 0.00 1.78 0.11 -1.97 -0.74 132.00 133.91 2x1u h PRO 240 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2x1u h PRO 240 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2x1u h PRO 240 CO 0.36 0.33 0.00 1.49 -0.21 0.00 0.00 178.00 179.97 2x1u h GLU 241 N 0.51 0.00 -0.21 1.05 4.57 -1.97 -2.57 114.58 115.96 2x1u h GLU 241 Ca 0.31 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.55 2x1u h GLU 241 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2x1u h GLU 241 CO -0.10 0.00 0.15 0.35 -1.18 0.00 0.00 179.01 178.23 2x1u h PHE 242 N 0.00 0.00 -0.75 0.92 3.57 -1.41 0.52 116.94 119.78 2x1u h PHE 242 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2x1u h PHE 242 Cb 0.09 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2x1u h PHE 242 CO 0.00 0.00 0.41 0.28 -2.23 0.00 0.00 178.31 176.77 2x1u h VAL 243 N 0.00 1.22 -0.02 1.41 2.07 -1.67 -1.45 116.25 117.81 2x1u h VAL 243 Ca 0.10 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.90 2x1u h VAL 243 Cb 0.40 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2x1u h VAL 243 CO -0.00 0.25 -0.74 0.44 0.02 0.00 0.00 177.57 177.54 2x1u h ASP 244 N 1.05 0.17 -0.76 0.57 3.32 -1.12 -2.92 116.42 116.74 2x1u h ASP 244 Ca 0.27 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2x1u h ASP 244 Cb 0.03 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2x1u h ASP 244 CO -0.04 0.85 0.33 0.40 -1.72 0.00 0.00 179.24 179.06 2x1u h ILE 245 N 0.09 1.25 -0.50 0.35 2.04 -0.96 -2.75 117.51 117.03 2x1u h ILE 245 Ca -0.02 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2x1u h ILE 245 Cb 1.31 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2x1u h ILE 245 CO 0.11 0.31 0.31 0.40 0.00 0.00 0.00 178.15 179.28 2x1u h ILE 246 N 1.11 1.15 0.00 -0.67 2.04 -1.10 -2.27 117.51 117.77 2x1u h ILE 246 Ca 0.26 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2x1u h ILE 246 Cb 0.17 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2x1u h ILE 246 CO -0.03 0.15 -0.03 0.50 0.00 0.00 0.00 178.15 178.75 2x1u h LYS 247 N 0.67 0.00 0.00 2.37 3.64 -1.34 -2.50 116.57 119.41 2x1u h LYS 247 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x1u h LYS 247 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2x1u h LYS 247 CO -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.17 2x1u n ALA 248 N -2.13 2.13 -1.17 5.00 0.00 -0.85 -4.33 120.51 119.15 2x1u n ALA 248 Ca -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 2x1u n ALA 248 Cb 0.19 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2x1u n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1u n THR 249 N -2.18 3.52 -1.97 0.00 -2.24 -0.94 -4.67 114.28 105.79 2x1u n THR 249 Ca 0.05 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 2x1u n THR 249 Cb 0.37 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 2x1u n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50