#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4u s SER 2 N 0.00 5.75 0.14 1.61 1.04 -1.26 -3.67 113.70 117.30 2x4u s SER 2 Ca 0.00 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.30 2x4u s SER 2 Cb 0.00 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 2x4u s SER 2 CO 0.00 -1.00 0.07 -1.00 0.98 0.00 0.00 173.24 172.29 2x4u s HIS 3 N -3.02 0.93 0.02 5.02 0.09 -0.68 -4.97 115.29 112.67 2x4u s HIS 3 Ca 0.53 -1.26 -0.10 0.00 -0.00 0.00 0.00 55.06 54.24 2x4u s HIS 3 Cb -0.11 -0.50 0.01 0.00 -0.00 0.00 0.00 32.58 31.98 2x4u s HIS 3 CO 0.47 -0.54 0.19 -1.54 -0.00 0.00 0.00 174.74 173.33 2x4u s SER 4 N -3.07 -0.01 -0.06 1.40 1.04 -1.26 -0.80 113.70 110.94 2x4u s SER 4 Ca 0.27 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.52 2x4u s SER 4 Cb 0.07 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2x4u s SER 4 CO 0.04 -0.47 -0.20 -0.32 0.98 0.00 0.00 173.24 173.27 2x4u s MET 5 N -1.89 2.13 -0.05 4.02 -2.45 -0.68 -0.48 119.30 119.90 2x4u s MET 5 Ca -0.10 -0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 2x4u s MET 5 Cb -0.04 -1.79 0.01 0.00 1.25 0.00 0.00 34.83 34.26 2x4u s MET 5 CO -0.00 0.25 0.13 1.03 1.05 0.00 0.00 175.02 177.48 2x4u s ARG 6 N 0.07 0.15 -0.07 4.11 0.52 -0.26 -1.74 118.95 121.74 2x4u s ARG 6 Ca -0.06 0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.36 2x4u s ARG 6 Cb -0.13 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 2x4u s ARG 6 CO 0.04 -0.02 -0.18 0.71 0.02 0.00 0.00 175.30 175.86 2x4u s TYR 7 N 0.08 2.62 -0.09 -0.53 2.02 -0.06 -0.27 117.35 121.13 2x4u s TYR 7 Ca -0.00 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2x4u s TYR 7 Cb -0.01 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2x4u s TYR 7 CO 0.00 -0.06 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.62 2x4u s PHE 8 N -0.27 2.49 -0.07 2.71 0.08 0.55 -2.04 117.98 121.43 2x4u s PHE 8 Ca 0.01 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.13 2x4u s PHE 8 Cb -0.13 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2x4u s PHE 8 CO 0.03 -0.36 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.59 2x4u s PHE 9 N 0.22 1.53 -0.07 0.36 0.08 0.49 -0.84 117.98 119.74 2x4u s PHE 9 Ca -0.15 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.37 2x4u s PHE 9 Cb -0.17 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.19 2x4u s PHE 9 CO 0.07 -0.27 -0.14 0.99 -0.10 0.00 0.00 175.22 175.77 2x4u s THR 10 N 0.59 1.31 -0.08 0.64 2.01 -0.04 -0.95 115.64 119.12 2x4u s THR 10 Ca -0.14 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2x4u s THR 10 Cb -0.16 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2x4u s THR 10 CO 0.04 0.39 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.70 2x4u s SER 11 N 0.66 1.87 -0.14 3.53 0.15 0.03 -0.64 113.70 119.16 2x4u s SER 11 Ca -0.14 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 2x4u s SER 11 Cb -0.16 -0.84 0.04 0.00 -1.71 0.00 0.00 66.02 63.35 2x4u s SER 11 CO 0.04 -0.00 -0.04 -0.69 1.20 0.00 0.00 173.24 173.75 2x4u s VAL 12 N 0.90 0.94 0.48 4.45 1.01 -0.04 -0.57 120.40 127.58 2x4u s VAL 12 Ca -0.10 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2x4u s VAL 12 Cb -0.15 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 2x4u s VAL 12 CO 0.01 0.17 1.23 -0.94 0.00 0.00 0.00 175.10 175.57 2x4u s SER 13 N 1.72 5.92 -0.43 3.32 1.04 -0.70 -0.63 113.70 123.93 2x4u s SER 13 Ca 0.02 2.47 0.09 0.00 0.48 0.00 0.00 55.95 59.00 2x4u s SER 13 Cb -0.14 -2.62 0.28 0.00 0.10 0.00 0.00 66.02 63.64 2x4u s SER 13 CO -0.08 -1.10 0.63 0.54 0.98 0.00 0.00 173.24 174.22 2x4u n ARG 14 N -0.59 1.18 -1.66 4.02 1.74 -1.26 -4.14 116.66 115.95 2x4u n ARG 14 Ca 0.08 -3.56 -0.51 0.00 -0.77 0.00 0.00 57.85 53.08 2x4u n ARG 14 Cb 0.47 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 2x4u n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2x4u n PRO 15 N 0.95 1.62 0.00 5.56 -0.02 -1.26 -0.35 135.00 141.50 2x4u n PRO 15 Ca 0.24 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2x4u n PRO 15 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2x4u n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x4u n GLY 16 N 3.61 2.95 2.11 -1.23 0.00 -1.26 -4.81 105.19 106.56 2x4u n GLY 16 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2x4u n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4u n ARG 17 N -1.15 2.84 0.00 1.61 1.74 0.52 -5.06 116.66 117.15 2x4u n ARG 17 Ca 0.00 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.56 2x4u n ARG 17 Cb 0.00 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 2x4u n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x4u n GLY 18 N -0.90 -1.68 3.70 -0.13 0.00 -1.21 -4.90 105.19 100.07 2x4u n GLY 18 Ca 0.54 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2x4u n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4u s GLU 19 N 0.00 1.68 0.34 1.61 0.41 -1.26 -4.49 118.70 116.99 2x4u s GLU 19 Ca 0.00 1.66 -0.29 0.00 -0.41 0.00 0.00 54.97 55.94 2x4u s GLU 19 Cb 0.00 -1.79 -0.10 0.00 -1.78 0.00 0.00 34.13 30.46 2x4u s GLU 19 CO 0.00 -2.16 1.35 -2.14 -0.49 0.00 0.00 175.26 171.81 2x4u s PRO 20 N -4.25 4.30 0.30 0.39 0.02 -1.26 -4.55 135.00 129.95 2x4u s PRO 20 Ca 0.71 2.29 -0.29 0.00 0.02 0.00 0.00 61.00 63.73 2x4u s PRO 20 Cb -0.26 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.10 2x4u s PRO 20 CO 0.51 -0.26 1.29 0.50 -0.33 0.00 0.00 177.00 178.70 2x4u s ARG 21 N -1.80 4.39 -0.06 5.54 6.06 0.19 -4.83 118.95 128.45 2x4u s ARG 21 Ca 0.50 2.14 -0.01 0.00 -2.50 0.00 0.00 55.73 55.86 2x4u s ARG 21 Cb -0.41 -3.11 0.03 0.00 0.06 0.00 0.00 34.95 31.52 2x4u s ARG 21 CO 0.55 -0.16 0.01 0.12 -2.50 0.00 0.00 175.30 173.32 2x4u s PHE 22 N -0.87 0.49 -0.06 5.12 5.36 -1.26 -0.86 117.98 125.90 2x4u s PHE 22 Ca 0.50 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 2x4u s PHE 22 Cb -0.38 -0.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 2x4u s PHE 22 CO 0.48 -0.27 -0.15 0.42 -1.46 0.00 0.00 175.22 174.24 2x4u s ILE 23 N 1.86 1.35 -0.03 3.12 1.01 0.18 -1.08 121.20 127.61 2x4u s ILE 23 Ca 0.03 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2x4u s ILE 23 Cb -0.12 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2x4u s ILE 23 CO -0.04 0.40 -0.19 0.00 0.00 0.00 0.00 174.94 175.10 2x4u s ALA 24 N 0.37 1.65 0.01 9.38 0.00 -0.07 -0.87 121.76 132.24 2x4u s ALA 24 Ca -0.11 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2x4u s ALA 24 Cb -0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2x4u s ALA 24 CO 0.04 0.35 -0.04 0.14 0.00 0.00 0.00 175.76 176.25 2x4u s VAL 25 N -0.21 0.27 -0.02 0.00 -7.23 -0.02 -0.78 120.40 112.40 2x4u s VAL 25 Ca 0.01 -0.38 0.08 0.00 -1.81 0.00 0.00 61.98 59.88 2x4u s VAL 25 Cb -0.10 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 2x4u s VAL 25 CO 0.01 -0.07 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.65 2x4u s GLY 26 N -0.48 1.21 0.01 2.32 0.00 -0.73 -0.33 107.32 109.32 2x4u s GLY 26 Ca -0.03 -1.07 0.05 0.00 0.00 0.00 0.00 44.72 43.68 2x4u s GLY 26 CO -0.00 -0.87 -0.16 -0.19 0.00 0.00 0.00 173.10 171.87 2x4u s TYR 27 N -0.56 1.45 -0.24 1.90 2.02 0.63 -0.79 117.35 121.77 2x4u s TYR 27 Ca 0.09 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 2x4u s TYR 27 Cb -0.10 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2x4u s TYR 27 CO -0.01 0.01 0.03 0.08 -1.57 0.00 0.00 175.55 174.09 2x4u s VAL 28 N -0.56 3.91 0.00 0.71 1.01 -0.24 -1.10 120.40 124.14 2x4u s VAL 28 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2x4u s VAL 28 Cb -0.07 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2x4u s VAL 28 CO 0.00 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.92 2x4u n ASP 29 N 4.87 0.00 -1.81 3.32 8.00 0.36 -0.95 116.55 130.34 2x4u n ASP 29 Ca -0.17 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.37 2x4u n ASP 29 Cb 0.51 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.97 2x4u n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4u n ASP 30 N 5.43 5.31 -4.20 -2.24 8.00 -1.26 -4.90 116.55 122.69 2x4u n ASP 30 Ca 0.00 -3.03 -0.34 0.00 0.71 0.00 0.00 54.79 52.13 2x4u n ASP 30 Cb 0.00 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.27 2x4u n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4u s THR 31 N -2.85 2.84 0.27 -3.53 2.01 -0.12 -5.00 115.64 109.26 2x4u s THR 31 Ca 0.54 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 2x4u s THR 31 Cb 0.42 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 2x4u s THR 31 CO 0.14 0.23 1.20 -1.58 -0.69 0.00 0.00 174.62 173.92 2x4u s GLN 32 N 1.33 4.51 0.00 4.92 0.74 -1.26 -1.08 119.66 128.82 2x4u s GLN 32 Ca 0.01 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.38 2x4u s GLN 32 Cb -0.16 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2x4u s GLN 32 CO -0.05 0.00 0.00 1.97 -0.55 0.00 0.00 175.29 176.66 2x4u n PHE 33 N 1.46 0.00 -3.95 1.67 -1.74 0.03 -4.19 117.46 110.75 2x4u n PHE 33 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 2x4u n PHE 33 Cb 0.44 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.36 2x4u n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2x4u s VAL 34 N -1.17 0.15 0.10 1.97 -7.23 -1.21 -0.63 120.40 112.37 2x4u s VAL 34 Ca 0.00 -1.41 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2x4u s VAL 34 Cb 0.00 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.46 2x4u s VAL 34 CO 0.00 -0.69 0.23 0.00 -0.31 0.00 0.00 175.10 174.33 2x4u s ARG 35 N -3.90 0.89 -0.06 4.82 1.70 -0.63 -1.77 118.95 120.00 2x4u s ARG 35 Ca 0.08 -0.91 -0.03 0.00 -0.47 0.00 0.00 55.73 54.40 2x4u s ARG 35 Cb 0.06 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2x4u s ARG 35 CO -0.09 -0.30 0.14 0.12 -1.08 0.00 0.00 175.30 174.10 2x4u s PHE 36 N -3.85 -0.16 -0.11 5.89 5.36 0.04 -0.76 117.98 124.39 2x4u s PHE 36 Ca 0.04 0.45 -0.00 0.00 -0.96 0.00 0.00 56.93 56.46 2x4u s PHE 36 Cb 0.04 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.69 2x4u s PHE 36 CO -0.11 -0.14 -0.08 0.34 -1.46 0.00 0.00 175.22 173.77 2x4u s ASP 37 N 0.91 2.17 0.60 6.13 -1.08 -1.26 -0.89 116.67 123.25 2x4u s ASP 37 Ca -0.07 -0.30 0.31 0.00 -0.52 0.00 0.00 52.55 51.96 2x4u s ASP 37 Cb -0.09 -0.84 1.80 0.00 -1.46 0.00 0.00 42.92 42.33 2x4u s ASP 37 CO -0.04 -0.11 2.19 0.77 0.52 0.00 0.00 175.17 178.49 2x4u h SER 38 N 8.14 0.00 0.98 -0.34 4.64 -1.50 -1.94 113.55 123.54 2x4u h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2x4u h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2x4u h SER 38 CO 0.41 0.00 -0.70 0.44 -0.87 0.00 0.00 176.83 176.11 2x4u h ASP 39 N 0.00 0.00 -4.12 4.97 5.19 -1.95 -3.47 116.42 117.04 2x4u h ASP 39 Ca 0.04 -0.13 -0.47 0.00 -0.62 0.00 0.00 57.03 55.84 2x4u h ASP 39 Cb 0.24 0.00 0.14 0.00 0.18 0.00 0.00 39.33 39.88 2x4u h ASP 39 CO -0.00 0.07 0.27 0.00 -3.12 0.00 0.00 179.24 176.45 2x4u s ALA 40 N -3.23 1.62 0.10 3.45 0.00 -0.73 -4.98 121.76 117.98 2x4u s ALA 40 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2x4u s ALA 40 Cb 0.12 -3.11 -0.23 0.00 0.00 0.00 0.00 23.12 19.89 2x4u s ALA 40 CO 0.74 -2.31 1.20 0.00 0.00 0.00 0.00 175.76 175.39 2x4u h ALA 41 N -1.52 0.20 -0.47 0.00 0.00 -1.91 -3.36 119.26 112.21 2x4u h ALA 41 Ca -0.50 -0.87 -0.08 0.00 0.00 0.00 0.00 54.91 53.46 2x4u h ALA 41 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2x4u h ALA 41 CO 0.58 1.02 -0.01 0.66 0.00 0.00 0.00 179.25 181.50 2x4u h SER 42 N 0.07 0.76 -3.31 0.00 4.64 -1.94 -3.46 113.55 110.31 2x4u h SER 42 Ca -0.10 -0.19 -0.40 0.00 -0.47 0.00 0.00 61.79 60.63 2x4u h SER 42 Cb 1.87 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 2x4u h SER 42 CO 0.18 0.84 -0.53 0.00 -0.87 0.00 0.00 176.83 176.44 2x4u n GLN 43 N -4.21 -2.23 -4.28 4.77 1.13 -1.26 -5.00 117.38 106.30 2x4u n GLN 43 Ca 0.02 0.97 -0.22 0.00 -1.94 0.00 0.00 57.00 55.83 2x4u n GLN 43 Cb 0.31 -5.66 -0.12 0.00 0.11 0.00 0.00 30.24 24.88 2x4u n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2x4u s ARG 44 N -5.16 1.13 0.21 -1.09 1.81 -1.26 -5.04 118.95 109.54 2x4u s ARG 44 Ca 0.05 -1.24 -0.31 0.00 -1.72 0.00 0.00 55.73 52.51 2x4u s ARG 44 Cb -0.02 -1.23 -0.11 0.00 -0.45 0.00 0.00 34.95 33.15 2x4u s ARG 44 CO 0.06 0.26 1.57 1.41 -0.68 0.00 0.00 175.30 177.92 2x4u s MET 45 N -2.33 4.20 0.11 3.54 -2.45 -1.26 -4.67 119.30 116.45 2x4u s MET 45 Ca 0.09 2.42 0.09 0.00 -1.25 0.00 0.00 55.69 57.04 2x4u s MET 45 Cb -0.08 -3.11 -0.04 0.00 1.25 0.00 0.00 34.83 32.85 2x4u s MET 45 CO 0.05 -0.59 -0.23 -1.21 1.05 0.00 0.00 175.02 174.08 2x4u s GLU 46 N 0.61 1.23 0.33 4.11 2.02 0.06 -4.87 118.70 122.19 2x4u s GLU 46 Ca 0.68 -1.22 -0.27 0.00 0.02 0.00 0.00 54.97 54.18 2x4u s GLU 46 Cb -0.45 -1.57 -0.09 0.00 0.10 0.00 0.00 34.13 32.12 2x4u s GLU 46 CO 0.36 0.37 1.04 -1.25 0.02 0.00 0.00 175.26 175.80 2x4u s PRO 47 N -1.94 4.45 -0.02 0.39 0.04 -1.26 -1.60 135.00 135.06 2x4u s PRO 47 Ca 0.09 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2x4u s PRO 47 Cb -0.10 -2.87 0.04 0.00 0.04 0.00 0.00 34.50 31.61 2x4u s PRO 47 CO 0.05 0.10 0.83 0.54 0.04 0.00 0.00 177.00 178.56 2x4u n ARG 48 N 0.59 1.15 -3.85 4.56 5.12 0.20 -4.86 116.66 119.57 2x4u n ARG 48 Ca 0.02 -1.20 -0.12 0.00 -1.93 0.00 0.00 57.85 54.63 2x4u n ARG 48 Cb 0.48 -0.80 -0.11 0.00 -1.16 0.00 0.00 32.46 30.86 2x4u n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4u s ALA 49 N -0.73 -0.30 0.36 7.54 0.00 -1.24 -4.61 121.76 122.77 2x4u s ALA 49 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2x4u s ALA 49 Cb 0.04 -0.07 0.67 0.00 0.00 0.00 0.00 23.12 23.76 2x4u s ALA 49 CO 0.00 -0.13 1.93 -1.35 0.00 0.00 0.00 175.76 176.21 2x4u h PRO 50 N 5.18 0.55 0.00 0.00 0.11 -1.94 -2.86 132.00 133.04 2x4u h PRO 50 Ca -0.28 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2x4u h PRO 50 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2x4u h PRO 50 CO 0.41 0.51 0.00 -2.67 -0.21 0.00 0.00 178.00 176.04 2x4u n TRP 51 N -4.34 0.00 0.38 0.65 4.27 -1.26 -2.63 117.44 114.50 2x4u n TRP 51 Ca 0.02 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.71 2x4u n TRP 51 Cb 0.18 -0.29 -0.10 0.00 -1.36 0.00 0.00 31.31 29.74 2x4u n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2x4u n ILE 52 N -1.29 0.00 0.24 -1.67 0.13 -1.09 -4.61 119.36 111.07 2x4u n ILE 52 Ca 0.13 -0.24 0.09 0.00 -1.10 0.00 0.00 62.75 61.63 2x4u n ILE 52 Cb 0.22 0.61 0.64 0.00 -0.84 0.00 0.00 39.64 40.28 2x4u n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2x4u h GLU 53 N 0.00 0.01 -0.82 9.51 5.08 -1.47 -2.30 114.58 124.59 2x4u h GLU 53 Ca 0.00 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2x4u h GLU 53 Cb 0.51 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.58 2x4u h GLU 53 CO 0.00 0.00 0.36 1.04 -1.00 0.00 0.00 179.01 179.42 2x4u n GLN 54 N -4.53 3.42 -0.17 2.33 1.13 -1.26 -4.54 117.38 113.76 2x4u n GLN 54 Ca -0.02 -3.05 -0.10 0.00 -1.94 0.00 0.00 57.00 51.89 2x4u n GLN 54 Cb 0.13 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.27 2x4u n GLN 54 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2x4u h GLU 55 N 2.31 0.87 0.00 -1.09 4.57 -1.73 -3.49 114.58 116.02 2x4u h GLU 55 Ca 0.35 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2x4u h GLU 55 Cb 2.47 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.98 2x4u h GLU 55 CO 0.83 0.90 0.00 0.41 -1.18 0.00 0.00 179.01 179.97 2x4u n GLY 56 N -0.41 2.90 0.36 1.92 0.00 -1.26 -4.68 105.19 104.03 2x4u n GLY 56 Ca 0.01 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.26 2x4u n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x4u h PRO 57 N 0.00 0.87 -0.34 1.61 0.13 -1.98 -2.18 132.00 130.12 2x4u h PRO 57 Ca 0.00 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2x4u h PRO 57 Cb 0.00 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 30.92 2x4u h PRO 57 CO 0.00 0.57 0.21 1.49 -0.23 0.00 0.00 178.00 180.04 2x4u h GLU 58 N 0.89 0.45 0.28 0.86 4.22 -1.99 0.16 114.58 119.45 2x4u h GLU 58 Ca 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.91 2x4u h GLU 58 Cb 0.62 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2x4u h GLU 58 CO -0.28 0.33 -0.29 -0.92 -2.18 0.00 0.00 179.01 175.68 2x4u h TYR 59 N 0.44 -0.77 -0.43 0.92 3.20 -1.68 -0.88 116.97 117.76 2x4u h TYR 59 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 2x4u h TYR 59 Cb -0.01 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2x4u h TYR 59 CO -0.04 -0.42 0.08 -1.49 -1.64 0.00 0.00 178.16 174.65 2x4u h TRP 60 N -0.60 0.75 -0.51 -3.82 4.06 -1.23 -0.29 115.95 114.31 2x4u h TRP 60 Ca -0.01 -0.10 0.03 0.00 2.06 0.00 0.00 58.89 60.88 2x4u h TRP 60 Cb 0.56 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 2x4u h TRP 60 CO -0.19 0.72 0.28 -0.44 -3.56 0.00 0.00 178.44 175.25 2x4u h ASP 61 N 0.58 0.43 -0.22 -3.49 5.19 -0.71 -0.15 116.42 118.05 2x4u h ASP 61 Ca 0.13 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2x4u h ASP 61 Cb 0.36 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2x4u h ASP 61 CO 0.01 0.30 0.12 1.23 -3.12 0.00 0.00 179.24 177.78 2x4u h GLY 62 N 0.55 0.32 1.35 2.75 0.00 -0.68 -0.53 103.07 106.83 2x4u h GLY 62 Ca 0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2x4u h GLY 62 CO -0.13 0.14 -0.10 0.83 0.00 0.00 0.00 176.54 177.28 2x4u h GLU 63 N 0.25 0.78 -0.31 4.80 4.39 -0.91 -1.25 114.58 122.34 2x4u h GLU 63 Ca 0.08 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 2x4u h GLU 63 Cb 0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2x4u h GLU 63 CO -0.01 0.85 0.18 1.15 -1.16 0.00 0.00 179.01 180.01 2x4u h THR 64 N 0.71 1.12 0.12 1.13 2.02 -0.81 0.12 112.91 117.32 2x4u h THR 64 Ca 0.12 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2x4u h THR 64 Cb 0.58 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2x4u h THR 64 CO 0.04 0.12 -0.17 -0.09 0.37 0.00 0.00 175.52 175.79 2x4u h ARG 65 N 0.38 -0.33 -0.68 6.66 2.43 -0.80 -1.77 114.38 120.27 2x4u h ARG 65 Ca 0.11 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2x4u h ARG 65 Cb 0.04 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2x4u h ARG 65 CO -0.02 -0.22 0.28 0.87 -1.51 0.00 0.00 179.97 179.37 2x4u h LYS 66 N -0.34 1.01 0.00 0.20 1.57 -1.06 -2.31 116.57 115.64 2x4u h LYS 66 Ca 0.02 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2x4u h LYS 66 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2x4u h LYS 66 CO -0.08 0.83 -0.35 -0.24 -0.57 0.00 0.00 179.45 179.04 2x4u h VAL 67 N 0.96 1.12 -0.36 0.50 3.04 -0.63 -1.19 116.25 119.69 2x4u h VAL 67 Ca 0.23 -1.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.52 2x4u h VAL 67 Cb 0.19 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 2x4u h VAL 67 CO -0.02 0.35 -0.27 0.11 -1.01 0.00 0.00 177.57 176.72 2x4u h LYS 68 N 0.00 0.75 -0.58 4.17 1.57 -0.99 -1.15 116.57 120.34 2x4u h LYS 68 Ca -0.00 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2x4u h LYS 68 Cb 0.68 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2x4u h LYS 68 CO 0.05 0.94 0.19 0.00 -0.57 0.00 0.00 179.45 180.05 2x4u h ALA 69 N 1.05 0.76 -0.46 3.86 0.00 -0.77 -1.16 119.26 122.55 2x4u h ALA 69 Ca 0.08 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2x4u h ALA 69 Cb 0.79 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2x4u h ALA 69 CO 0.07 0.42 0.22 0.45 0.00 0.00 0.00 179.25 180.41 2x4u h HIS 70 N 0.82 0.40 -0.76 0.00 3.86 -1.10 -2.04 115.15 116.33 2x4u h HIS 70 Ca 0.19 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2x4u h HIS 70 Cb 0.28 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 2x4u h HIS 70 CO 0.02 0.20 0.50 1.03 0.86 0.00 0.00 177.93 180.54 2x4u h SER 71 N 0.44 0.87 -0.12 2.45 0.87 -0.70 -1.53 113.55 115.83 2x4u h SER 71 Ca 0.20 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2x4u h SER 71 Cb 0.12 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2x4u h SER 71 CO -0.15 0.63 0.02 -0.61 -0.53 0.00 0.00 176.83 176.19 2x4u h GLN 72 N 1.02 0.19 -0.77 2.24 4.15 -1.04 -0.90 115.11 120.00 2x4u h GLN 72 Ca 0.28 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.74 2x4u h GLN 72 Cb -0.11 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.48 2x4u h GLN 72 CO -0.06 0.39 0.42 1.15 -1.93 0.00 0.00 178.83 178.79 2x4u h THR 73 N -0.03 0.88 -0.46 2.39 2.02 -1.19 -1.50 112.91 115.01 2x4u h THR 73 Ca 0.04 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 2x4u h THR 73 Cb 0.28 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2x4u h THR 73 CO 0.00 0.13 -0.18 0.45 0.37 0.00 0.00 175.52 176.29 2x4u h HIS 74 N 0.70 1.03 -0.75 3.16 3.86 -1.15 -0.59 115.15 121.42 2x4u h HIS 74 Ca 0.38 -0.23 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 2x4u h HIS 74 Cb 0.37 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 2x4u h HIS 74 CO -0.08 1.01 0.44 -0.09 0.86 0.00 0.00 177.93 180.07 2x4u h ARG 75 N 0.80 0.80 -0.40 2.45 2.43 -0.19 -1.77 114.38 118.49 2x4u h ARG 75 Ca 0.11 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2x4u h ARG 75 Cb 0.72 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2x4u h ARG 75 CO 0.06 0.53 -0.09 0.28 -1.51 0.00 0.00 179.97 179.23 2x4u h VAL 76 N 0.82 1.27 -0.79 0.20 2.07 -1.14 -3.14 116.25 115.55 2x4u h VAL 76 Ca 0.33 -1.18 0.13 0.00 0.82 0.00 0.00 66.70 66.80 2x4u h VAL 76 Cb 0.16 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 2x4u h VAL 76 CO -0.17 0.40 0.38 0.44 0.02 0.00 0.00 177.57 178.63 2x4u h ASP 77 N 0.59 0.44 -0.98 0.57 3.32 -0.43 -0.50 116.42 119.42 2x4u h ASP 77 Ca 0.10 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.34 2x4u h ASP 77 Cb 0.61 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 2x4u h ASP 77 CO 0.04 0.19 0.63 -0.07 -1.72 0.00 0.00 179.24 178.31 2x4u h LEU 78 N 0.56 0.95 -0.24 1.55 3.38 -1.29 0.98 115.31 121.20 2x4u h LEU 78 Ca 0.42 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.23 2x4u h LEU 78 Cb 0.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2x4u h LEU 78 CO -0.36 0.56 -0.58 1.23 0.09 0.00 0.00 178.44 179.38 2x4u h GLY 79 N 1.05 0.90 0.90 0.83 0.00 -1.20 -2.65 103.07 102.90 2x4u h GLY 79 Ca 0.46 -1.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2x4u h GLY 79 CO -0.21 0.99 0.10 -0.84 0.00 0.00 0.00 176.54 176.58 2x4u h THR 80 N 0.58 1.16 -0.63 4.70 2.02 -0.43 -2.65 112.91 117.65 2x4u h THR 80 Ca -0.00 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2x4u h THR 80 Cb 1.20 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2x4u h THR 80 CO 0.13 0.16 0.12 -0.07 0.37 0.00 0.00 175.52 176.23 2x4u h LEU 81 N 0.23 0.98 -1.18 2.58 3.38 -0.89 -0.06 115.31 120.34 2x4u h LEU 81 Ca 0.08 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2x4u h LEU 81 Cb 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2x4u h LEU 81 CO -0.01 0.97 0.57 -0.09 0.09 0.00 0.00 178.44 179.97 2x4u h ARG 82 N 0.97 0.99 -0.19 1.13 2.43 -1.42 -2.14 114.38 116.16 2x4u h ARG 82 Ca 0.20 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2x4u h ARG 82 Cb 0.40 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2x4u h ARG 82 CO 0.01 0.66 -0.14 0.78 -1.51 0.00 0.00 179.97 179.77 2x4u h GLY 83 N 1.02 0.46 0.76 2.80 0.00 -0.89 0.16 103.07 107.38 2x4u h GLY 83 Ca 0.36 -0.44 0.08 0.00 0.00 0.00 0.00 47.33 47.33 2x4u h GLY 83 CO -0.12 0.40 0.61 -0.97 0.00 0.00 0.00 176.54 176.46 2x4u h TYR 84 N 0.09 1.09 -0.50 5.60 0.05 -0.77 -2.38 116.97 120.15 2x4u h TYR 84 Ca 0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2x4u h TYR 84 Cb 0.65 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2x4u h TYR 84 CO 0.07 0.54 0.00 0.66 -1.05 0.00 0.00 178.16 178.39 2x4u n TYR 85 N -4.51 0.65 -4.05 4.88 4.02 -0.83 -4.96 117.16 112.35 2x4u n TYR 85 Ca 0.15 -0.32 -0.37 0.00 -0.01 0.00 0.00 57.90 57.35 2x4u n TYR 85 Cb 0.23 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 2x4u n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x4u n ASN 86 N 1.49 -2.42 -4.94 7.72 5.15 -0.23 -4.96 115.26 117.08 2x4u n ASN 86 Ca 0.21 -1.20 -0.26 0.00 -0.60 0.00 0.00 54.58 52.73 2x4u n ASN 86 Cb 0.60 -2.16 -0.03 0.00 -0.53 0.00 0.00 39.78 37.66 2x4u n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2x4u s GLN 87 N -7.04 3.48 0.57 1.20 -0.21 -0.12 -5.03 119.66 112.49 2x4u s GLN 87 Ca 0.29 -0.49 -0.19 0.00 0.02 0.00 0.00 55.36 54.99 2x4u s GLN 87 Cb -0.14 -2.90 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 2x4u s GLN 87 CO 0.95 0.45 1.14 -1.54 -2.12 0.00 0.00 175.29 174.17 2x4u s SER 88 N -3.29 5.54 0.00 5.90 1.04 -1.26 -4.82 113.70 116.80 2x4u s SER 88 Ca 0.36 2.18 0.19 0.00 0.48 0.00 0.00 55.95 59.16 2x4u s SER 88 Cb -0.11 -2.58 1.05 0.00 0.10 0.00 0.00 66.02 64.48 2x4u s SER 88 CO 0.29 -1.34 1.68 -1.84 0.98 0.00 0.00 173.24 173.01 2x4u n GLU 89 N -1.53 1.09 0.06 4.02 0.28 -1.26 -3.59 120.64 119.71 2x4u n GLU 89 Ca 0.12 -0.14 0.09 0.00 -0.16 0.00 0.00 57.16 57.07 2x4u n GLU 89 Cb 0.51 -1.30 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 2x4u n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x4u n ALA 90 N -0.65 2.44 -2.31 -1.84 0.00 -1.26 -4.76 120.51 112.12 2x4u n ALA 90 Ca 0.14 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 2x4u n ALA 90 Cb 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 2x4u n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4u s GLY 91 N -4.52 1.75 -0.03 0.00 0.00 -1.24 -4.71 107.32 98.58 2x4u s GLY 91 Ca -0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 2x4u s GLY 91 CO 0.82 -0.26 0.45 -0.45 0.00 0.00 0.00 173.10 173.66 2x4u s SER 92 N -3.50 6.80 0.18 1.64 0.15 -1.26 -4.67 113.70 113.04 2x4u s SER 92 Ca 0.48 0.95 0.04 0.00 0.70 0.00 0.00 55.95 58.12 2x4u s SER 92 Cb -0.10 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2x4u s SER 92 CO 0.35 0.22 -0.08 -1.00 1.20 0.00 0.00 173.24 173.94 2x4u s HIS 93 N -0.56 1.40 -0.07 3.44 3.76 -1.26 -4.97 115.29 117.04 2x4u s HIS 93 Ca 0.25 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2x4u s HIS 93 Cb -0.17 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.79 2x4u s HIS 93 CO 0.13 0.07 -0.18 0.99 -0.85 0.00 0.00 174.74 174.90 2x4u s THR 94 N -3.32 1.59 -0.08 1.30 2.01 -1.26 -1.72 115.64 114.16 2x4u s THR 94 Ca 0.21 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.47 2x4u s THR 94 Cb 0.03 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2x4u s THR 94 CO 0.04 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 2x4u s VAL 95 N 0.29 2.81 0.01 3.82 1.01 0.26 0.02 120.40 128.62 2x4u s VAL 95 Ca -0.11 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2x4u s VAL 95 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2x4u s VAL 95 CO 0.05 0.56 -0.15 -1.10 0.00 0.00 0.00 175.10 174.46 2x4u s GLN 96 N -0.24 1.17 -0.01 2.72 -0.21 -0.42 -0.79 119.66 121.87 2x4u s GLN 96 Ca 0.01 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.77 2x4u s GLN 96 Cb -0.13 -1.15 0.01 0.00 1.00 0.00 0.00 33.01 32.73 2x4u s GLN 96 CO 0.03 0.31 -0.02 0.50 -2.12 0.00 0.00 175.29 173.99 2x4u s ARG 97 N -0.61 0.29 -0.03 2.91 3.52 -0.12 -0.15 118.95 124.76 2x4u s ARG 97 Ca 0.05 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2x4u s ARG 97 Cb -0.07 -0.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.99 2x4u s ARG 97 CO 0.00 -0.01 -0.04 1.41 -0.81 0.00 0.00 175.30 175.86 2x4u s MET 98 N 0.34 0.58 0.06 5.12 1.75 -0.04 -0.38 119.30 126.72 2x4u s MET 98 Ca -0.03 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.27 2x4u s MET 98 Cb -0.06 -0.62 -0.02 0.00 2.84 0.00 0.00 34.83 36.97 2x4u s MET 98 CO -0.01 -0.03 0.09 1.52 -0.65 0.00 0.00 175.02 175.94 2x4u s TYR 99 N 0.62 0.30 -2.56 4.11 -0.85 -0.87 0.00 117.35 118.10 2x4u s TYR 99 Ca -0.07 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 2x4u s TYR 99 Cb -0.11 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.04 2x4u s TYR 99 CO -0.00 -0.44 0.00 0.41 -1.52 0.00 0.00 175.55 173.99 2x4u n GLY 100 N 0.19 -1.87 3.05 5.49 0.00 -0.78 -0.88 105.19 110.39 2x4u n GLY 100 Ca -0.16 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2x4u n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4u s ASP 102 N -1.76 4.11 0.22 0.00 1.01 0.93 -1.69 116.67 119.49 2x4u s ASP 102 Ca -0.09 -0.22 0.11 0.00 0.71 0.00 0.00 52.55 53.07 2x4u s ASP 102 Cb -0.08 -0.86 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 2x4u s ASP 102 CO -0.01 0.32 -0.21 0.68 0.21 0.00 0.00 175.17 176.16 2x4u s VAL 103 N -0.81 2.51 0.25 -1.27 -7.23 0.02 0.02 120.40 113.89 2x4u s VAL 103 Ca 0.13 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2x4u s VAL 103 Cb -0.11 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.64 2x4u s VAL 103 CO 0.02 -0.20 0.34 0.61 -0.31 0.00 0.00 175.10 175.56 2x4u n GLY 104 N -0.04 -0.46 0.25 2.32 0.00 -0.49 -1.69 105.19 105.06 2x4u n GLY 104 Ca -0.10 -1.80 0.17 0.00 0.00 0.00 0.00 46.02 44.29 2x4u n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x4u h SER 105 N -0.37 0.00 -0.19 1.61 0.02 -1.91 0.27 113.55 112.99 2x4u h SER 105 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2x4u h SER 105 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2x4u h SER 105 CO 0.09 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.88 2x4u n ASP 106 N -2.77 1.64 -1.61 3.07 5.75 -1.26 -4.78 116.55 116.58 2x4u n ASP 106 Ca -0.00 -1.74 -0.21 0.00 -0.01 0.00 0.00 54.79 52.83 2x4u n ASP 106 Cb 0.18 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.06 2x4u n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4u n TRP 107 N 0.31 -0.04 -3.44 2.11 7.02 0.96 -4.98 117.44 119.39 2x4u n TRP 107 Ca 0.15 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.29 2x4u n TRP 107 Cb 0.31 -3.46 -0.06 0.00 -2.42 0.00 0.00 31.31 25.69 2x4u n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4u s ARG 108 N -3.80 3.89 0.01 -0.99 0.52 -1.26 -4.76 118.95 112.56 2x4u s ARG 108 Ca 0.00 0.36 -0.38 0.00 -0.52 0.00 0.00 55.73 55.20 2x4u s ARG 108 Cb 0.00 -2.93 -0.17 0.00 0.52 0.00 0.00 34.95 32.37 2x4u s ARG 108 CO 0.00 0.49 1.39 0.34 0.02 0.00 0.00 175.30 177.54 2x4u n PHE 109 N 0.75 1.54 -0.08 -0.53 7.35 -1.26 -1.40 117.46 123.83 2x4u n PHE 109 Ca -0.06 0.66 -0.17 0.00 -0.76 0.00 0.00 57.45 57.12 2x4u n PHE 109 Cb 0.52 -2.34 -0.06 0.00 0.35 0.00 0.00 39.48 37.96 2x4u n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4u n LEU 110 N 2.93 1.24 -3.52 -2.13 7.94 0.10 -4.79 117.00 118.77 2x4u n LEU 110 Ca 0.20 0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 55.23 2x4u n LEU 110 Cb 0.17 -0.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.59 2x4u n LEU 110 CO 0.65 0.25 0.72 0.00 -1.11 0.00 0.00 177.39 177.91 2x4u s ARG 111 N -2.34 0.75 0.21 1.96 1.70 -1.12 -4.99 118.95 115.12 2x4u s ARG 111 Ca -0.23 -0.21 0.04 0.00 -0.47 0.00 0.00 55.73 54.86 2x4u s ARG 111 Cb 0.08 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2x4u s ARG 111 CO 0.29 -0.31 -0.04 0.20 -1.08 0.00 0.00 175.30 174.36 2x4u s GLY 112 N -2.24 1.45 0.01 3.88 0.00 -1.26 -0.05 107.32 109.10 2x4u s GLY 112 Ca 0.04 -1.70 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 2x4u s GLY 112 CO -0.07 -1.66 0.51 -2.52 0.00 0.00 0.00 173.10 169.36 2x4u s TYR 113 N -3.36 -0.42 -0.25 1.90 -0.85 -0.49 -4.84 117.35 109.04 2x4u s TYR 113 Ca 0.25 0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 57.37 2x4u s TYR 113 Cb 0.05 0.30 0.14 0.00 0.38 0.00 0.00 41.96 42.82 2x4u s TYR 113 CO 0.07 -0.58 0.38 -1.58 -1.52 0.00 0.00 175.55 172.33 2x4u s HIS 114 N -1.88 -0.85 0.11 -3.49 2.46 -1.26 -1.86 115.29 108.51 2x4u s HIS 114 Ca -0.09 0.84 0.10 0.00 0.47 0.00 0.00 55.06 56.38 2x4u s HIS 114 Cb -0.01 0.03 -0.04 0.00 -0.13 0.00 0.00 32.58 32.43 2x4u s HIS 114 CO 0.03 -0.73 -0.25 -0.65 -2.47 0.00 0.00 174.74 170.66 2x4u s GLN 115 N 2.55 1.38 -0.03 2.88 -0.21 0.10 -1.17 119.66 125.17 2x4u s GLN 115 Ca 0.13 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.26 2x4u s GLN 115 Cb -0.15 -1.76 0.03 0.00 1.00 0.00 0.00 33.01 32.13 2x4u s GLN 115 CO -0.16 0.42 0.01 -0.47 -2.12 0.00 0.00 175.29 172.96 2x4u s TYR 116 N -1.04 0.25 0.09 0.91 5.04 -0.22 -0.86 117.35 121.51 2x4u s TYR 116 Ca 0.11 0.03 0.08 0.00 -2.44 0.00 0.00 57.07 54.86 2x4u s TYR 116 Cb -0.10 -0.36 -0.03 0.00 0.35 0.00 0.00 41.96 41.81 2x4u s TYR 116 CO 0.05 -0.12 -0.22 0.00 -1.34 0.00 0.00 175.55 173.92 2x4u s ALA 117 N 1.02 1.89 -0.10 3.97 0.00 0.78 -0.97 121.76 128.34 2x4u s ALA 117 Ca -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2x4u s ALA 117 Cb -0.13 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2x4u s ALA 117 CO -0.02 0.40 -0.17 -0.47 0.00 0.00 0.00 175.76 175.50 2x4u s TYR 118 N -1.03 2.09 -1.55 0.00 5.04 -0.46 -1.30 117.35 120.14 2x4u s TYR 118 Ca 0.08 -0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 53.64 2x4u s TYR 118 Cb -0.10 -1.47 0.09 0.00 0.35 0.00 0.00 41.96 40.83 2x4u s TYR 118 CO 0.04 -0.46 0.79 -0.25 -1.34 0.00 0.00 175.55 174.33 2x4u n ASP 119 N 4.01 -3.13 -0.11 4.32 8.00 0.10 -2.26 116.55 127.49 2x4u n ASP 119 Ca -0.20 -0.90 -0.01 0.00 0.71 0.00 0.00 54.79 54.38 2x4u n ASP 119 Cb 0.52 -3.36 -0.01 0.00 -0.02 0.00 0.00 41.12 38.25 2x4u n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4u n GLY 120 N -1.63 0.52 3.21 0.44 0.00 -1.26 -5.01 105.19 101.45 2x4u n GLY 120 Ca -0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 2x4u n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4u s LYS 121 N -1.35 0.96 0.17 1.61 1.02 -0.96 -5.11 119.74 116.08 2x4u s LYS 121 Ca 0.00 -0.98 -0.33 0.00 0.02 0.00 0.00 55.97 54.67 2x4u s LYS 121 Cb 0.00 -1.05 -0.15 0.00 -0.52 0.00 0.00 37.83 36.11 2x4u s LYS 121 CO 0.00 0.24 1.26 -0.25 -0.92 0.00 0.00 175.35 175.68 2x4u n ASP 122 N 1.35 1.73 0.00 2.83 9.92 -1.26 -1.35 116.55 129.77 2x4u n ASP 122 Ca -0.20 1.13 -0.01 0.00 -0.53 0.00 0.00 54.79 55.19 2x4u n ASP 122 Cb 0.54 -1.26 -0.00 0.00 -0.64 0.00 0.00 41.12 39.76 2x4u n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x4u n TYR 123 N 1.85 0.00 -3.96 1.24 9.36 -0.14 -4.69 117.16 120.81 2x4u n TYR 123 Ca 0.15 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.28 2x4u n TYR 123 Cb 0.25 -0.04 -0.11 0.00 -0.63 0.00 0.00 39.34 38.81 2x4u n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4u s ILE 124 N -1.37 0.11 -0.05 2.97 2.07 -0.92 -0.63 121.20 123.37 2x4u s ILE 124 Ca -0.02 -0.88 -0.06 0.00 -1.41 0.00 0.00 60.65 58.28 2x4u s ILE 124 Cb 0.00 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.30 2x4u s ILE 124 CO 0.04 -0.49 0.15 0.00 -1.91 0.00 0.00 174.94 172.73 2x4u s ALA 125 N -1.48 -0.38 0.03 1.50 0.00 -0.39 -1.06 121.76 119.98 2x4u s ALA 125 Ca -0.16 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2x4u s ALA 125 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2x4u s ALA 125 CO -0.01 -0.09 1.04 -1.17 0.00 0.00 0.00 175.76 175.54 2x4u s LEU 126 N -0.08 4.38 0.79 0.00 2.96 -0.31 0.08 118.68 126.50 2x4u s LEU 126 Ca -0.02 1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.56 2x4u s LEU 126 Cb -0.02 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.16 2x4u s LEU 126 CO 0.00 -0.31 1.10 -0.54 -1.32 0.00 0.00 176.35 175.29 2x4u s LYS 127 N 0.94 2.14 0.48 1.98 1.02 0.09 -4.55 119.74 121.84 2x4u s LYS 127 Ca 0.54 0.60 0.19 0.00 0.02 0.00 0.00 55.97 57.32 2x4u s LYS 127 Cb -0.24 -1.93 1.21 0.00 -0.52 0.00 0.00 37.83 36.36 2x4u s LYS 127 CO 0.29 -1.57 1.98 0.93 -0.92 0.00 0.00 175.35 176.06 2x4u h GLU 128 N -1.05 0.20 0.00 1.68 5.08 -1.88 0.17 114.58 118.77 2x4u h GLU 128 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2x4u h GLU 128 Cb 1.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2x4u h GLU 128 CO 0.60 0.13 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 2x4u n ASP 129 N -4.43 0.00 -2.48 1.42 5.68 -1.26 -4.84 116.55 110.64 2x4u n ASP 129 Ca 0.10 0.34 -0.17 0.00 -0.50 0.00 0.00 54.79 54.57 2x4u n ASP 129 Cb 0.50 -0.41 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 2x4u n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2x4u n LEU 130 N -1.41 -1.55 0.00 -2.12 4.77 0.58 -4.74 117.00 112.54 2x4u n LEU 130 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2x4u n LEU 130 Cb 0.11 -2.51 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 2x4u n LEU 130 CO 0.09 -0.14 -0.11 -1.14 -1.33 0.00 0.00 177.39 174.76 2x4u n ARG 131 N -2.97 1.64 -4.35 3.23 0.63 -1.26 -4.59 116.66 108.99 2x4u n ARG 131 Ca -0.18 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.50 2x4u n ARG 131 Cb 0.64 -0.61 -0.09 0.00 0.45 0.00 0.00 32.46 32.85 2x4u n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2x4u s SER 132 N -1.26 4.15 0.10 6.15 1.04 -1.26 -4.85 113.70 117.77 2x4u s SER 132 Ca 0.00 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.50 2x4u s SER 132 Cb 0.00 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2x4u s SER 132 CO 0.00 -0.26 -0.24 0.26 0.98 0.00 0.00 173.24 173.98 2x4u s TRP 133 N -2.54 2.06 -0.28 5.02 0.52 -1.26 -0.73 118.94 121.73 2x4u s TRP 133 Ca 0.35 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.04 2x4u s TRP 133 Cb 0.01 -1.15 0.03 0.00 -1.15 0.00 0.00 33.47 31.21 2x4u s TRP 133 CO 0.19 0.23 -0.00 0.99 0.02 0.00 0.00 176.95 178.38 2x4u s THR 134 N -1.03 3.21 -0.16 2.01 2.01 0.11 -4.89 115.64 116.89 2x4u s THR 134 Ca 0.10 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.93 2x4u s THR 134 Cb -0.10 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2x4u s THR 134 CO 0.04 0.06 0.23 0.00 -0.69 0.00 0.00 174.62 174.27 2x4u s ALA 135 N 1.35 3.65 0.18 7.40 0.00 -1.26 -1.27 121.76 131.81 2x4u s ALA 135 Ca -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2x4u s ALA 135 Cb -0.18 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.71 2x4u s ALA 135 CO -0.01 0.17 1.42 0.00 0.00 0.00 0.00 175.76 177.34 2x4u h ALA 136 N 6.46 0.59 -2.95 0.00 0.00 -1.15 -3.47 119.26 118.75 2x4u h ALA 136 Ca -0.43 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2x4u h ALA 136 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2x4u h ALA 136 CO 0.74 0.83 0.00 -0.40 0.00 0.00 0.00 179.25 180.42 2x4u n ASP 137 N -3.75 0.00 -0.09 0.00 5.68 -1.26 -5.04 116.55 112.09 2x4u n ASP 137 Ca -0.04 -0.11 -0.13 0.00 -0.50 0.00 0.00 54.79 54.02 2x4u n ASP 137 Cb 0.75 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.68 2x4u n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4u h MET 138 N 0.00 0.63 -0.15 0.11 1.85 -1.99 -2.62 114.93 112.77 2x4u h MET 138 Ca 0.00 -0.30 -0.00 0.00 -0.61 0.00 0.00 59.70 58.78 2x4u h MET 138 Cb 0.00 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2x4u h MET 138 CO 0.00 0.90 0.08 0.00 -0.40 0.00 0.00 176.91 177.49 2x4u h ALA 139 N 0.72 0.19 -0.53 0.39 0.00 -1.97 -2.44 119.26 115.62 2x4u h ALA 139 Ca 0.05 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2x4u h ALA 139 Cb 0.74 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2x4u h ALA 139 CO 0.05 -0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.40 2x4u h ALA 140 N 0.98 2.18 -0.23 0.00 0.00 -1.85 -0.95 119.26 119.39 2x4u h ALA 140 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2x4u h ALA 140 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x4u h ALA 140 CO -0.01 -0.32 -0.21 1.96 0.00 0.00 0.00 179.25 180.68 2x4u h GLN 141 N 0.23 0.42 -0.48 0.00 1.08 -1.04 0.19 115.11 115.51 2x4u h GLN 141 Ca 0.25 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2x4u h GLN 141 Cb 0.67 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2x4u h GLN 141 CO -0.05 0.61 0.29 1.15 -0.95 0.00 0.00 178.83 179.88 2x4u h THR 142 N 0.38 1.15 -0.74 -0.54 2.02 -1.03 -1.53 112.91 112.62 2x4u h THR 142 Ca 0.06 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2x4u h THR 142 Cb 0.58 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2x4u h THR 142 CO 0.04 0.15 0.45 0.74 0.37 0.00 0.00 175.52 177.27 2x4u h THR 143 N 0.64 1.21 -0.13 3.16 2.02 -1.10 -1.69 112.91 117.01 2x4u h THR 143 Ca 0.17 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.95 2x4u h THR 143 Cb -0.01 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 2x4u h THR 143 CO -0.03 0.21 -0.12 0.50 0.37 0.00 0.00 175.52 176.45 2x4u h LYS 144 N 1.00 -0.13 -0.85 6.66 3.64 -0.27 0.22 116.57 126.83 2x4u h LYS 144 Ca 0.26 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2x4u h LYS 144 Cb -0.05 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2x4u h LYS 144 CO -0.05 -0.09 0.45 0.45 -2.27 0.00 0.00 179.45 177.94 2x4u h HIS 145 N -0.13 1.19 -0.39 1.91 3.86 -1.13 0.11 115.15 120.57 2x4u h HIS 145 Ca 0.09 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2x4u h HIS 145 Cb 0.26 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2x4u h HIS 145 CO -0.24 0.84 0.23 -0.22 0.86 0.00 0.00 177.93 179.40 2x4u h LYS 146 N 1.20 0.53 -0.04 2.45 3.64 -0.58 -0.88 116.57 122.89 2x4u h LYS 146 Ca 0.30 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 2x4u h LYS 146 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2x4u h LYS 146 CO -0.04 0.40 -0.63 -1.49 -2.27 0.00 0.00 179.45 175.42 2x4u h TRP 147 N 0.50 0.20 -0.78 1.91 6.55 -0.19 -2.50 115.95 121.65 2x4u h TRP 147 Ca 0.14 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.88 2x4u h TRP 147 Cb 0.02 -0.03 -0.04 0.00 -0.86 0.00 0.00 29.16 28.24 2x4u h TRP 147 CO -0.03 0.74 0.41 0.93 -1.05 0.00 0.00 178.44 179.43 2x4u h GLU 148 N 0.11 1.10 -0.30 0.49 5.08 -0.52 -1.80 114.58 118.75 2x4u h GLU 148 Ca -0.01 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2x4u h GLU 148 Cb 1.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2x4u h GLU 148 CO 0.09 0.83 -0.18 0.00 -1.00 0.00 0.00 179.01 178.76 2x4u h ALA 149 N 1.21 1.14 -0.50 3.43 0.00 -0.89 -2.77 119.26 120.88 2x4u h ALA 149 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x4u h ALA 149 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x4u h ALA 149 CO -0.04 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2x4u n ALA 150 N -2.48 2.42 -3.95 0.00 0.00 -0.97 -4.94 120.51 110.60 2x4u n ALA 150 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 2x4u n ALA 150 Cb 0.37 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.87 2x4u n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x4u n HIS 151 N 1.01 -2.11 -0.18 0.00 -0.00 -0.83 -4.86 115.22 108.25 2x4u n HIS 151 Ca 0.17 0.87 -0.02 0.00 -0.00 0.00 0.00 57.72 58.74 2x4u n HIS 151 Cb 0.44 -3.83 0.20 0.00 -0.00 0.00 0.00 29.99 26.80 2x4u n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4u h VAL 152 N -1.94 1.22 -0.72 1.59 2.07 -1.62 -2.88 116.25 113.96 2x4u h VAL 152 Ca -0.59 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2x4u h VAL 152 Cb 1.38 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2x4u h VAL 152 CO 0.68 0.26 0.22 0.00 0.02 0.00 0.00 177.57 178.75 2x4u h ALA 153 N 1.40 1.02 -0.43 1.67 0.00 -1.89 -1.18 119.26 119.86 2x4u h ALA 153 Ca 0.22 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2x4u h ALA 153 Cb 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2x4u h ALA 153 CO -0.03 0.65 0.18 0.93 0.00 0.00 0.00 179.25 180.99 2x4u h GLU 154 N 1.07 0.35 -0.35 0.00 5.08 -1.78 0.17 114.58 119.13 2x4u h GLU 154 Ca 0.23 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2x4u h GLU 154 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2x4u h GLU 154 CO -0.01 0.23 0.08 1.96 -1.00 0.00 0.00 179.01 180.28 2x4u h GLN 155 N 0.36 0.57 -0.81 2.33 4.20 -1.39 -2.22 115.11 118.15 2x4u h GLN 155 Ca 0.19 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2x4u h GLN 155 Cb 0.15 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2x4u h GLN 155 CO -0.17 0.62 0.35 -0.07 -0.67 0.00 0.00 178.83 178.89 2x4u h LEU 156 N 0.42 1.09 -0.70 1.46 3.38 -0.94 -2.26 115.31 117.75 2x4u h LEU 156 Ca 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2x4u h LEU 156 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2x4u h LEU 156 CO 0.00 0.95 0.45 -0.09 0.09 0.00 0.00 178.44 179.84 2x4u h ARG 157 N 1.17 0.93 -0.33 1.13 2.43 -0.41 0.93 114.38 120.24 2x4u h ARG 157 Ca 0.27 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2x4u h ARG 157 Cb 0.18 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2x4u h ARG 157 CO -0.03 0.63 0.03 0.00 -1.51 0.00 0.00 179.97 179.09 2x4u h ALA 158 N 1.25 0.44 -0.05 2.80 0.00 -1.16 -1.39 119.26 121.16 2x4u h ALA 158 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x4u h ALA 158 Cb -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2x4u h ALA 158 CO -0.05 0.17 0.03 -0.92 0.00 0.00 0.00 179.25 178.48 2x4u h TYR 159 N 0.38 0.06 -0.49 0.00 3.20 -1.20 0.23 116.97 119.16 2x4u h TYR 159 Ca 0.10 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2x4u h TYR 159 Cb 0.40 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2x4u h TYR 159 CO 0.03 0.08 0.01 -0.07 -1.64 0.00 0.00 178.16 176.56 2x4u h LEU 160 N 0.03 0.83 0.02 2.82 3.38 -0.71 0.28 115.31 121.96 2x4u h LEU 160 Ca 0.02 -0.30 -0.23 0.00 0.09 0.00 0.00 57.88 57.46 2x4u h LEU 160 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2x4u h LEU 160 CO -0.00 0.93 -1.10 -0.33 0.09 0.00 0.00 178.44 178.03 2x4u h GLU 161 N 0.71 0.04 0.00 1.13 5.08 -1.32 -3.34 114.58 116.88 2x4u h GLU 161 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2x4u h GLU 161 Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2x4u h GLU 161 CO 0.02 0.99 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 2x4u n GLY 162 N 1.40 0.14 0.30 -3.84 0.00 0.07 -4.43 105.19 98.83 2x4u n GLY 162 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2x4u n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x4u h THR 163 N 0.00 0.36 0.16 2.61 2.02 -1.50 -1.22 112.91 115.34 2x4u h THR 163 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2x4u h THR 163 Cb 0.00 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2x4u h THR 163 CO 0.00 0.04 -0.12 0.00 0.37 0.00 0.00 175.52 175.81 2x4u h VAL 165 N -0.29 1.38 -0.47 0.00 -1.51 -1.54 -0.99 116.25 112.84 2x4u h VAL 165 Ca -0.01 -2.16 0.01 0.00 -1.23 0.00 0.00 66.70 63.32 2x4u h VAL 165 Cb 0.26 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.52 2x4u h VAL 165 CO -0.01 0.65 0.30 -0.33 -1.23 0.00 0.00 177.57 176.94 2x4u h GLU 166 N 0.26 0.58 0.01 5.19 5.08 -1.09 -0.70 114.58 123.92 2x4u h GLU 166 Ca -0.03 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 2x4u h GLU 166 Cb 1.31 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2x4u h GLU 166 CO 0.12 0.38 -0.96 -1.49 -1.00 0.00 0.00 179.01 176.07 2x4u h TRP 167 N 0.60 0.05 -0.08 4.33 4.06 -1.21 -2.54 115.95 121.16 2x4u h TRP 167 Ca 0.18 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.11 2x4u h TRP 167 Cb -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2x4u h TRP 167 CO -0.06 0.97 -0.00 1.25 -3.56 0.00 0.00 178.44 177.04 2x4u h LEU 168 N 0.01 -0.03 -0.69 -4.49 5.85 -0.94 0.48 115.31 115.50 2x4u h LEU 168 Ca -0.02 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2x4u h LEU 168 Cb 1.68 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 2x4u h LEU 168 CO 0.13 -0.00 0.40 0.03 -0.34 0.00 0.00 178.44 178.65 2x4u h ARG 169 N 0.03 0.72 -0.22 1.25 3.08 -1.14 0.41 114.38 118.50 2x4u h ARG 169 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x4u h ARG 169 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2x4u h ARG 169 CO -0.06 0.48 0.14 -0.09 -1.07 0.00 0.00 179.97 179.36 2x4u h ARG 170 N 0.74 0.27 -0.79 0.04 2.43 -1.06 -1.35 114.38 114.66 2x4u h ARG 170 Ca 0.30 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2x4u h ARG 170 Cb 0.16 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2x4u h ARG 170 CO -0.17 0.18 0.41 1.88 -1.51 0.00 0.00 179.97 180.76 2x4u h TYR 171 N 0.28 1.12 -0.52 2.20 0.05 -0.41 0.36 116.97 120.06 2x4u h TYR 171 Ca 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2x4u h TYR 171 Cb -0.02 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.34 2x4u h TYR 171 CO -0.07 0.80 0.29 -0.07 -1.05 0.00 0.00 178.16 178.07 2x4u h LEU 172 N 1.11 0.62 -0.00 3.88 3.38 -0.60 0.17 115.31 123.87 2x4u h LEU 172 Ca 0.28 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2x4u h LEU 172 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2x4u h LEU 172 CO -0.04 0.50 -0.15 -0.33 0.09 0.00 0.00 178.44 178.51 2x4u h GLU 173 N 0.71 0.11 -0.38 1.13 5.08 -0.63 -2.12 114.58 118.48 2x4u h GLU 173 Ca 0.19 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2x4u h GLU 173 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2x4u h GLU 173 CO -0.03 0.86 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.91 2x4u h ASN 174 N -0.60 0.59 -0.49 1.42 2.35 -0.74 -2.91 115.58 115.20 2x4u h ASN 174 Ca -0.02 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 2x4u h ASN 174 Cb 0.91 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 39.04 2x4u h ASN 174 CO 0.03 0.67 0.11 0.61 -1.65 0.00 0.00 177.43 177.20 2x4u n GLY 175 N -0.75 4.13 0.33 2.83 0.00 0.57 -4.79 105.19 107.51 2x4u n GLY 175 Ca 0.02 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 45.03 2x4u n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x4u h LYS 176 N 1.90 0.01 -0.76 1.61 2.10 -1.17 0.49 116.57 120.75 2x4u h LYS 176 Ca 0.18 -0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.94 2x4u h LYS 176 Cb 1.89 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 33.13 2x4u h LYS 176 CO 0.49 0.01 0.38 0.93 -2.00 0.00 0.00 179.45 179.26 2x4u h GLU 177 N 0.01 0.60 0.00 0.07 5.08 -1.87 0.01 114.58 118.49 2x4u h GLU 177 Ca 0.46 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2x4u h GLU 177 Cb 0.78 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2x4u h GLU 177 CO -0.90 0.40 -0.22 1.15 -1.00 0.00 0.00 179.01 178.44 2x4u h THR 178 N 0.62 1.52 0.13 1.13 2.02 -1.10 -3.38 112.91 113.85 2x4u h THR 178 Ca 0.39 -2.22 -0.30 0.00 0.77 0.00 0.00 66.41 65.05 2x4u h THR 178 Cb 0.46 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 2x4u h THR 178 CO -0.30 0.52 -1.41 -0.07 0.37 0.00 0.00 175.52 174.62 2x4u h LEU 179 N -1.00 0.43 -2.47 2.58 3.38 -0.09 -3.26 115.31 114.89 2x4u h LEU 179 Ca -0.06 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2x4u h LEU 179 Cb 0.99 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2x4u h LEU 179 CO -0.04 1.43 0.00 0.00 0.09 0.00 0.00 178.44 179.92 2x4u n GLN 180 N -3.50 3.26 -3.49 1.13 6.02 -0.02 -4.89 117.38 115.89 2x4u n GLN 180 Ca -0.13 -1.90 -0.34 0.00 -0.01 0.00 0.00 57.00 54.62 2x4u n GLN 180 Cb 1.04 -1.91 -0.05 0.00 1.02 0.00 0.00 30.24 30.34 2x4u n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2x4u s ARG 181 N -2.01 3.82 -0.18 -1.09 1.70 -1.23 -5.01 118.95 114.95 2x4u s ARG 181 Ca 0.33 0.26 0.01 0.00 -0.47 0.00 0.00 55.73 55.87 2x4u s ARG 181 Cb 0.24 -2.91 0.03 0.00 -0.57 0.00 0.00 34.95 31.75 2x4u s ARG 181 CO 0.11 0.49 -0.15 0.99 -1.08 0.00 0.00 175.30 175.65 2x4u s THR 182 N -1.51 1.85 -0.47 4.99 2.01 -1.26 -4.69 115.64 116.57 2x4u s THR 182 Ca 0.37 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 2x4u s THR 182 Cb -0.14 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.67 2x4u s THR 182 CO 0.19 0.38 0.42 -1.81 -0.69 0.00 0.00 174.62 173.12 2x4u s ASP 183 N 1.35 6.16 0.45 3.53 1.01 0.00 -4.88 116.67 124.29 2x4u s ASP 183 Ca 0.02 -1.16 -0.25 0.00 0.71 0.00 0.00 52.55 51.87 2x4u s ASP 183 Cb -0.14 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 2x4u s ASP 183 CO -0.11 -0.66 1.32 0.00 0.21 0.00 0.00 175.17 175.94 2x4u s ALA 184 N 1.84 3.13 0.31 5.23 0.00 -1.26 -1.03 121.76 129.97 2x4u s ALA 184 Ca 0.06 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 2x4u s ALA 184 Cb -0.22 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.27 2x4u s ALA 184 CO 0.08 -1.00 1.53 -0.35 0.00 0.00 0.00 175.76 176.03 2x4u n PRO 185 N -0.27 2.59 -3.19 0.00 -0.04 -1.26 -4.60 135.00 128.23 2x4u n PRO 185 Ca 0.06 0.92 -0.40 0.00 -0.04 0.00 0.00 63.50 64.04 2x4u n PRO 185 Cb 0.44 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.17 2x4u n PRO 185 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2x4u s LYS 186 N -0.91 4.14 0.10 0.54 1.02 0.34 -4.85 119.74 120.12 2x4u s LYS 186 Ca 0.62 0.46 0.09 0.00 0.02 0.00 0.00 55.97 57.16 2x4u s LYS 186 Cb -0.51 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 2x4u s LYS 186 CO 0.53 -0.28 -0.19 0.95 -0.92 0.00 0.00 175.35 175.44 2x4u s THR 187 N 2.06 2.77 0.31 2.17 -4.23 -1.26 -0.29 115.64 117.18 2x4u s THR 187 Ca 0.25 -1.47 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 2x4u s THR 187 Cb -0.16 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.47 2x4u s THR 187 CO 0.09 0.15 0.75 -1.38 -0.54 0.00 0.00 174.62 173.69 2x4u s HIS 188 N -1.09 -0.09 0.02 3.99 -3.43 -1.05 -5.00 115.29 108.64 2x4u s HIS 188 Ca 0.17 -0.44 0.07 0.00 -0.80 0.00 0.00 55.06 54.06 2x4u s HIS 188 Cb -0.10 0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 31.77 2x4u s HIS 188 CO 0.09 -1.33 -0.20 1.41 -2.00 0.00 0.00 174.74 172.71 2x4u s MET 189 N -3.37 1.44 0.26 -0.38 1.75 -1.26 -0.32 119.30 117.42 2x4u s MET 189 Ca 0.13 -0.84 0.12 0.00 -1.25 0.00 0.00 55.69 53.84 2x4u s MET 189 Cb -0.06 -1.49 -0.05 0.00 2.84 0.00 0.00 34.83 36.08 2x4u s MET 189 CO 0.08 0.39 -0.19 0.95 -0.65 0.00 0.00 175.02 175.60 2x4u s THR 190 N -0.68 2.55 -0.04 10.11 -4.23 -0.04 -4.96 115.64 118.35 2x4u s THR 190 Ca 0.07 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 2x4u s THR 190 Cb -0.08 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.46 2x4u s THR 190 CO 0.01 -0.35 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.45 2x4u s HIS 191 N -2.36 0.46 -0.04 3.99 2.46 -1.26 -1.22 115.29 117.33 2x4u s HIS 191 Ca 0.29 -0.06 -0.01 0.00 0.47 0.00 0.00 55.06 55.74 2x4u s HIS 191 Cb -0.06 -0.53 0.03 0.00 -0.13 0.00 0.00 32.58 31.89 2x4u s HIS 191 CO 0.15 -0.18 0.06 -1.01 -2.47 0.00 0.00 174.74 171.29 2x4u s HIS 192 N 1.19 0.01 0.09 3.88 3.76 -0.68 -4.98 115.29 118.55 2x4u s HIS 192 Ca -0.07 0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.77 2x4u s HIS 192 Cb -0.13 -0.32 -0.08 0.00 1.11 0.00 0.00 32.58 33.16 2x4u s HIS 192 CO -0.02 -0.15 1.43 0.00 -0.85 0.00 0.00 174.74 175.16 2x4u s ALA 193 N 1.57 3.61 -0.09 -1.40 0.00 -1.26 -0.50 121.76 123.69 2x4u s ALA 193 Ca -0.03 1.09 0.21 0.00 0.00 0.00 0.00 51.96 53.23 2x4u s ALA 193 Cb -0.12 -3.57 -0.31 0.00 0.00 0.00 0.00 23.12 19.12 2x4u s ALA 193 CO -0.03 -0.73 0.36 0.28 0.00 0.00 0.00 175.76 175.63 2x4u n VAL 194 N 4.18 0.46 -3.41 0.00 0.31 -0.48 -4.90 118.33 114.48 2x4u n VAL 194 Ca 0.12 -0.62 -0.04 0.00 -0.01 0.00 0.00 64.34 63.79 2x4u n VAL 194 Cb 0.42 -0.16 0.01 0.00 -0.91 0.00 0.00 33.84 33.21 2x4u n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2x4u n SER 195 N -2.42 -1.17 0.23 4.52 3.41 -1.01 -4.95 113.62 112.22 2x4u n SER 195 Ca -0.13 -1.80 0.16 0.00 -0.26 0.00 0.00 58.87 56.83 2x4u n SER 195 Cb 0.76 1.94 0.73 0.00 -0.26 0.00 0.00 64.21 67.38 2x4u n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2x4u h ASP 196 N 1.01 0.00 0.00 4.04 2.03 -2.03 -3.23 116.42 118.23 2x4u h ASP 196 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2x4u h ASP 196 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2x4u h ASP 196 CO 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.43 2x4u n HIS 197 N -2.68 0.00 -4.17 4.15 1.44 -1.26 -4.91 115.22 107.79 2x4u n HIS 197 Ca -0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2x4u n HIS 197 Cb 0.18 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.18 2x4u n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4u s GLU 198 N -0.97 0.84 -0.02 -1.40 2.02 -1.22 -0.88 118.70 117.06 2x4u s GLU 198 Ca 0.00 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 53.82 2x4u s GLU 198 Cb 0.00 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.69 2x4u s GLU 198 CO 0.00 0.09 0.08 0.00 0.02 0.00 0.00 175.26 175.45 2x4u s ALA 199 N -2.35 -0.19 -0.12 5.21 0.00 0.53 -1.38 121.76 123.46 2x4u s ALA 199 Ca 0.05 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 2x4u s ALA 199 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2x4u s ALA 199 CO 0.00 -0.07 0.59 0.99 0.00 0.00 0.00 175.76 177.27 2x4u s THR 200 N -0.29 5.10 -0.24 0.00 2.01 0.34 0.72 115.64 123.28 2x4u s THR 200 Ca -0.03 1.17 -0.06 0.00 0.31 0.00 0.00 61.69 63.08 2x4u s THR 200 Cb -0.02 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2x4u s THR 200 CO 0.00 0.24 0.02 -0.76 -0.69 0.00 0.00 174.62 173.43 2x4u s LEU 201 N 1.05 3.23 -0.19 4.42 1.43 0.08 -1.68 118.68 127.02 2x4u s LEU 201 Ca 0.30 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2x4u s LEU 201 Cb -0.16 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2x4u s LEU 201 CO 0.13 -0.04 -0.11 -0.60 0.23 0.00 0.00 176.35 175.96 2x4u s ARG 202 N 1.55 3.27 -0.21 1.70 3.52 -0.36 -1.26 118.95 127.16 2x4u s ARG 202 Ca 0.06 -0.69 -0.17 0.00 -0.13 0.00 0.00 55.73 54.79 2x4u s ARG 202 Cb -0.15 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2x4u s ARG 202 CO 0.01 -0.11 0.47 0.00 -0.81 0.00 0.00 175.30 174.86 2x4u s TRP 204 N 1.64 3.06 -0.13 0.00 0.52 0.57 -1.58 118.94 123.02 2x4u s TRP 204 Ca 0.22 0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.40 2x4u s TRP 204 Cb -0.15 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 2x4u s TRP 204 CO 0.09 0.33 -0.14 0.00 0.02 0.00 0.00 176.95 177.26 2x4u s ALA 205 N -0.64 1.76 0.14 0.98 0.00 -0.22 -2.53 121.76 121.26 2x4u s ALA 205 Ca 0.10 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2x4u s ALA 205 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2x4u s ALA 205 CO 0.02 -0.29 -0.15 -0.51 0.00 0.00 0.00 175.76 174.83 2x4u s LEU 206 N 1.35 2.44 -1.47 0.00 1.43 0.61 -1.74 118.68 121.29 2x4u s LEU 206 Ca 0.01 -0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 52.16 2x4u s LEU 206 Cb -0.13 -0.61 0.06 0.00 0.03 0.00 0.00 46.19 45.54 2x4u s LEU 206 CO -0.08 -0.14 0.90 -1.20 0.23 0.00 0.00 176.35 176.07 2x4u n SER 207 N 0.33 -3.78 -4.83 2.29 7.64 -0.84 -0.51 113.62 113.93 2x4u n SER 207 Ca -0.14 -0.79 -0.24 0.00 1.01 0.00 0.00 58.87 58.70 2x4u n SER 207 Cb 0.58 -3.91 -0.05 0.00 -1.01 0.00 0.00 64.21 59.82 2x4u n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2x4u s PHE 208 N -3.41 3.17 -0.19 1.43 -0.12 -1.00 -4.67 117.98 113.20 2x4u s PHE 208 Ca 0.48 -0.04 -0.15 0.00 -0.05 0.00 0.00 56.93 57.17 2x4u s PHE 208 Cb -0.24 -1.48 0.05 0.00 -0.63 0.00 0.00 43.02 40.72 2x4u s PHE 208 CO 0.83 0.52 0.48 -0.47 -0.05 0.00 0.00 175.22 176.53 2x4u s TYR 209 N -1.90 -0.61 0.56 3.49 5.04 -0.20 -0.47 117.35 123.26 2x4u s TYR 209 Ca 0.32 1.38 -0.09 0.00 -2.44 0.00 0.00 57.07 56.24 2x4u s TYR 209 Cb -0.09 0.25 0.13 0.00 0.35 0.00 0.00 41.96 42.60 2x4u s TYR 209 CO 0.25 -0.31 0.64 -0.35 -1.34 0.00 0.00 175.55 174.43 2x4u n PRO 210 N 3.39 -1.27 0.15 4.97 -0.04 -1.26 -0.82 135.00 140.12 2x4u n PRO 210 Ca -0.17 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 2x4u n PRO 210 Cb 0.56 -0.76 0.22 0.00 -0.04 0.00 0.00 33.50 33.49 2x4u n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x4u h ALA 211 N -2.09 1.03 -2.46 0.55 0.00 -1.95 -3.45 119.26 110.89 2x4u h ALA 211 Ca -0.22 -0.49 -0.54 0.00 0.00 0.00 0.00 54.91 53.65 2x4u h ALA 211 Cb 0.63 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.38 2x4u h ALA 211 CO 0.15 0.68 1.04 -1.91 0.00 0.00 0.00 179.25 179.21 2x4u n GLU 212 N -3.79 2.64 -3.50 0.00 4.07 -1.26 -4.96 120.64 113.84 2x4u n GLU 212 Ca -0.01 0.96 -0.15 0.00 -0.06 0.00 0.00 57.16 57.90 2x4u n GLU 212 Cb 0.57 -2.82 -0.05 0.00 -0.06 0.00 0.00 31.44 29.08 2x4u n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4u s ILE 213 N 2.18 0.00 -0.12 6.31 2.07 -1.26 -4.64 121.20 125.74 2x4u s ILE 213 Ca 0.81 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 2x4u s ILE 213 Cb -0.53 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.07 2x4u s ILE 213 CO 0.37 0.00 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.36 2x4u s THR 214 N -1.94 1.52 -0.13 4.00 2.01 -0.72 -5.00 115.64 115.38 2x4u s THR 214 Ca -0.06 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2x4u s THR 214 Cb -0.00 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.11 2x4u s THR 214 CO 0.02 0.45 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.42 2x4u s LEU 215 N 1.17 2.14 0.02 4.42 1.43 -1.26 -0.95 118.68 125.66 2x4u s LEU 215 Ca -0.02 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2x4u s LEU 215 Cb -0.14 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2x4u s LEU 215 CO -0.05 0.09 0.02 0.42 0.23 0.00 0.00 176.35 177.06 2x4u s THR 216 N 0.73 0.12 -0.07 5.49 -4.23 -0.63 -4.97 115.64 112.08 2x4u s THR 216 Ca -0.09 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2x4u s THR 216 Cb -0.16 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 2x4u s THR 216 CO 0.00 -0.53 -0.05 0.26 -0.54 0.00 0.00 174.62 173.76 2x4u s TRP 217 N -1.79 3.01 0.21 3.99 0.52 -1.26 0.16 118.94 123.78 2x4u s TRP 217 Ca -0.13 0.08 0.09 0.00 0.02 0.00 0.00 56.10 56.16 2x4u s TRP 217 Cb -0.07 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.47 2x4u s TRP 217 CO -0.02 0.37 -0.17 -0.65 0.02 0.00 0.00 176.95 176.50 2x4u s GLN 218 N -0.83 1.40 -0.23 4.98 1.11 0.01 -2.06 119.66 124.03 2x4u s GLN 218 Ca 0.13 -1.57 0.01 0.00 0.01 0.00 0.00 55.36 53.93 2x4u s GLN 218 Cb -0.11 -1.37 0.06 0.00 -1.01 0.00 0.00 33.01 30.58 2x4u s GLN 218 CO 0.02 0.25 -0.05 0.50 0.01 0.00 0.00 175.29 176.02 2x4u s ARG 219 N -3.31 1.60 -1.50 2.91 3.52 -0.18 -1.32 118.95 120.67 2x4u s ARG 219 Ca 0.22 -0.98 -0.13 0.00 -0.13 0.00 0.00 55.73 54.71 2x4u s ARG 219 Cb -0.04 -2.58 0.09 0.00 -1.56 0.00 0.00 34.95 30.86 2x4u s ARG 219 CO 0.09 -0.60 0.80 -0.25 -0.81 0.00 0.00 175.30 174.52 2x4u n ASP 220 N 4.68 -4.40 0.00 -2.12 8.00 0.07 -1.56 116.55 121.22 2x4u n ASP 220 Ca -0.12 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2x4u n ASP 220 Cb 0.44 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 2x4u n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4u n GLY 221 N -1.49 2.29 3.72 0.44 0.00 -1.26 -5.03 105.19 103.87 2x4u n GLY 221 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2x4u n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4u s GLU 222 N -0.40 4.66 0.38 1.61 2.02 -0.60 -4.97 118.70 121.39 2x4u s GLU 222 Ca 0.00 1.45 -0.27 0.00 0.02 0.00 0.00 54.97 56.17 2x4u s GLU 222 Cb 0.00 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 2x4u s GLU 222 CO 0.00 0.14 1.33 -0.51 0.02 0.00 0.00 175.26 176.24 2x4u s ASP 223 N 0.26 6.45 -0.25 -0.19 1.01 -1.26 -1.01 116.67 121.68 2x4u s ASP 223 Ca 0.48 2.73 0.09 0.00 0.71 0.00 0.00 52.55 56.56 2x4u s ASP 223 Cb -0.23 -2.65 0.44 0.00 1.01 0.00 0.00 42.92 41.49 2x4u s ASP 223 CO 0.29 -0.76 1.24 0.00 0.21 0.00 0.00 175.17 176.16 2x4u n GLN 224 N 0.38 2.21 -0.18 8.23 1.13 -0.88 -4.87 117.38 123.42 2x4u n GLN 224 Ca 0.02 -3.55 -0.03 0.00 -1.94 0.00 0.00 57.00 51.50 2x4u n GLN 224 Cb 0.42 -1.84 0.03 0.00 0.11 0.00 0.00 30.24 28.97 2x4u n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2x4u h THR 225 N 1.34 0.34 0.00 5.09 2.02 -1.92 -1.29 112.91 118.49 2x4u h THR 225 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2x4u h THR 225 Cb 1.21 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2x4u h THR 225 CO 0.27 0.00 0.00 1.56 0.37 0.00 0.00 175.52 177.72 2x4u h GLN 226 N -0.08 0.00 -0.51 6.66 1.08 -2.00 -2.68 115.11 117.58 2x4u h GLN 226 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2x4u h GLN 226 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2x4u h GLN 226 CO -0.60 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.03 2x4u n ASP 227 N -2.61 3.37 -4.63 1.46 8.00 -0.57 -4.96 116.55 116.62 2x4u n ASP 227 Ca 0.02 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.19 2x4u n ASP 227 Cb 0.32 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 2x4u n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4u s THR 228 N -1.02 4.87 -0.25 -3.53 2.01 -0.72 -4.52 115.64 112.49 2x4u s THR 228 Ca 0.35 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 2x4u s THR 228 Cb 0.18 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2x4u s THR 228 CO 0.24 0.43 0.59 -0.70 -0.69 0.00 0.00 174.62 174.49 2x4u s GLU 229 N 0.60 4.12 -0.13 4.92 2.12 -0.05 -4.93 118.70 125.34 2x4u s GLU 229 Ca 0.04 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.88 2x4u s GLU 229 Cb -0.13 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.64 2x4u s GLU 229 CO 0.01 -0.36 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.02 2x4u s LEU 230 N 2.32 1.89 0.39 2.70 2.96 -1.26 -0.77 118.68 126.92 2x4u s LEU 230 Ca 0.25 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2x4u s LEU 230 Cb -0.16 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 2x4u s LEU 230 CO 0.09 0.02 0.67 0.68 -1.32 0.00 0.00 176.35 176.49 2x4u s VAL 231 N 1.05 4.95 0.34 1.68 -7.23 -1.10 -5.05 120.40 115.05 2x4u s VAL 231 Ca -0.03 0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.97 2x4u s VAL 231 Cb -0.15 -3.80 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 2x4u s VAL 231 CO -0.05 -0.58 1.33 -1.61 -0.31 0.00 0.00 175.10 173.88 2x4u s GLU 232 N -4.15 4.31 0.24 4.82 2.02 -1.26 -4.65 118.70 120.03 2x4u s GLU 232 Ca 0.46 2.25 -0.31 0.00 0.02 0.00 0.00 54.97 57.39 2x4u s GLU 232 Cb -0.10 -3.05 -0.14 0.00 0.10 0.00 0.00 34.13 30.94 2x4u s GLU 232 CO 0.36 -0.24 1.32 2.41 0.02 0.00 0.00 175.26 179.13 2x4u n THR 233 N 0.73 1.09 -4.13 3.63 -1.04 -1.26 -4.85 114.28 108.45 2x4u n THR 233 Ca 0.00 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 2x4u n THR 233 Cb 0.42 -1.31 -0.13 0.00 -1.82 0.00 0.00 70.33 67.49 2x4u n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x4u s ARG 234 N -0.59 0.55 0.23 -2.82 1.70 -0.33 -4.96 118.95 112.74 2x4u s ARG 234 Ca 0.68 -0.59 -0.30 0.00 -0.47 0.00 0.00 55.73 55.05 2x4u s ARG 234 Cb -0.69 -0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 33.18 2x4u s ARG 234 CO 0.52 0.10 1.20 -1.25 -1.08 0.00 0.00 175.30 174.78 2x4u s PRO 235 N -1.08 4.50 0.43 3.89 0.04 -1.26 -0.66 135.00 140.86 2x4u s PRO 235 Ca -0.05 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.15 2x4u s PRO 235 Cb -0.07 -3.20 0.55 0.00 0.04 0.00 0.00 34.50 31.82 2x4u s PRO 235 CO 0.00 -0.04 1.67 0.00 0.04 0.00 0.00 177.00 178.68 2x4u h ALA 236 N 4.63 0.94 0.00 8.56 0.00 -1.52 -3.46 119.26 128.41 2x4u h ALA 236 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2x4u h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x4u h ALA 236 CO 0.72 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2x4u n GLY 237 N 0.80 2.25 0.80 0.00 0.00 -1.26 -4.94 105.19 102.85 2x4u n GLY 237 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2x4u n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4u n ASP 238 N 0.00 3.45 0.00 1.61 5.75 -1.26 -4.93 116.55 121.17 2x4u n ASP 238 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2x4u n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2x4u n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4u n GLY 239 N 0.09 0.19 3.97 6.12 0.00 -1.26 -5.07 105.19 109.22 2x4u n GLY 239 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2x4u n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4u s THR 240 N -2.06 2.19 0.26 2.61 -4.23 -1.26 -4.88 115.64 108.27 2x4u s THR 240 Ca 0.00 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.35 2x4u s THR 240 Cb 0.00 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 2x4u s THR 240 CO 0.00 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 2x4u s PHE 241 N -2.63 1.75 0.08 3.99 0.08 0.38 -1.32 117.98 120.30 2x4u s PHE 241 Ca 0.50 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.70 2x4u s PHE 241 Cb -0.05 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2x4u s PHE 241 CO 0.31 0.05 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.76 2x4u s GLN 242 N -3.83 0.71 -0.06 0.44 -0.21 0.17 -2.00 119.66 114.88 2x4u s GLN 242 Ca 0.30 -1.12 -0.31 0.00 0.02 0.00 0.00 55.36 54.26 2x4u s GLN 242 Cb 0.06 -0.21 0.08 0.00 1.00 0.00 0.00 33.01 33.93 2x4u s GLN 242 CO 0.11 0.00 0.72 0.21 -2.12 0.00 0.00 175.29 174.21 2x4u s LYS 243 N -3.03 1.01 0.06 2.91 2.20 -0.71 -1.19 119.74 120.99 2x4u s LYS 243 Ca 0.04 0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2x4u s LYS 243 Cb -0.00 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 2x4u s LYS 243 CO -0.03 -0.32 -0.04 1.67 -0.36 0.00 0.00 175.35 176.27 2x4u s TRP 244 N -1.23 0.58 -0.02 4.03 1.48 -1.26 -1.06 118.94 121.46 2x4u s TRP 244 Ca -0.10 -0.98 0.02 0.00 -1.06 0.00 0.00 56.10 53.98 2x4u s TRP 244 Cb -0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 33.47 31.91 2x4u s TRP 244 CO 0.09 -0.31 -0.06 0.00 -4.06 0.00 0.00 176.95 172.61 2x4u s ALA 245 N -3.59 0.57 0.05 2.67 0.00 -0.61 -2.70 121.76 118.15 2x4u s ALA 245 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.85 2x4u s ALA 245 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2x4u s ALA 245 CO -0.08 0.09 -0.12 0.00 0.00 0.00 0.00 175.76 175.65 2x4u s ALA 246 N 0.17 0.97 0.02 0.00 0.00 0.05 0.13 121.76 123.11 2x4u s ALA 246 Ca -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2x4u s ALA 246 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2x4u s ALA 246 CO -0.00 0.12 -0.10 0.14 0.00 0.00 0.00 175.76 175.92 2x4u s VAL 247 N -1.17 0.81 -0.26 0.00 -7.23 -0.39 -0.87 120.40 111.29 2x4u s VAL 247 Ca -0.03 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.17 2x4u s VAL 247 Cb -0.09 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 2x4u s VAL 247 CO 0.01 -0.02 0.57 -0.69 -0.31 0.00 0.00 175.10 174.67 2x4u s VAL 248 N -0.73 5.03 -0.05 1.32 1.01 -1.26 -0.74 120.40 124.97 2x4u s VAL 248 Ca -0.00 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.04 2x4u s VAL 248 Cb -0.07 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2x4u s VAL 248 CO 0.01 0.06 -0.24 -0.69 0.00 0.00 0.00 175.10 174.23 2x4u s VAL 249 N 2.41 2.16 0.15 2.92 1.01 0.22 -4.92 120.40 124.35 2x4u s VAL 249 Ca 0.24 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 2x4u s VAL 249 Cb -0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 2x4u s VAL 249 CO 0.09 0.57 1.77 -2.84 0.00 0.00 0.00 175.10 174.69 2x4u s PRO 250 N -0.27 4.14 0.13 2.72 0.02 -1.26 -0.34 135.00 140.14 2x4u s PRO 250 Ca -0.00 2.57 -0.35 0.00 0.02 0.00 0.00 61.00 63.24 2x4u s PRO 250 Cb -0.13 -3.41 -0.15 0.00 0.02 0.00 0.00 34.50 30.83 2x4u s PRO 250 CO 0.03 -0.80 1.51 -1.13 -0.33 0.00 0.00 177.00 176.28 2x4u n SER 251 N 5.06 2.62 0.00 2.53 3.41 -0.05 -1.30 113.62 125.89 2x4u n SER 251 Ca 0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 2x4u n SER 251 Cb 0.37 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2x4u n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x4u n GLY 252 N 3.14 0.12 0.78 5.00 0.00 -1.26 -4.92 105.19 108.05 2x4u n GLY 252 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2x4u n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4u n GLN 253 N -1.96 2.89 -0.29 1.61 6.02 -0.42 -4.72 117.38 120.51 2x4u n GLN 253 Ca 0.00 -2.21 0.04 0.00 -0.01 0.00 0.00 57.00 54.82 2x4u n GLN 253 Cb 0.00 -1.37 0.19 0.00 1.02 0.00 0.00 30.24 30.08 2x4u n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4u h GLU 254 N 2.36 0.67 0.00 -1.09 3.07 -1.92 -1.19 114.58 116.49 2x4u h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2x4u h GLU 254 Cb 0.84 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2x4u h GLU 254 CO 0.02 0.44 0.00 0.00 -1.40 0.00 0.00 179.01 178.08 2x4u n GLN 255 N -4.82 0.01 0.23 2.33 -0.00 -1.26 -2.31 117.38 111.57 2x4u n GLN 255 Ca 0.15 0.25 0.13 0.00 -0.00 0.00 0.00 57.00 57.52 2x4u n GLN 255 Cb 0.34 -1.50 0.33 0.00 -0.00 0.00 0.00 30.24 29.41 2x4u n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2x4u h ARG 256 N 0.00 0.00 -6.06 2.61 3.08 -1.57 -3.46 114.38 108.97 2x4u h ARG 256 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2x4u h ARG 256 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2x4u h ARG 256 CO 0.00 0.03 -0.33 0.71 -1.07 0.00 0.00 179.97 179.31 2x4u s TYR 257 N -3.35 3.54 -0.00 3.04 2.02 -0.98 -0.75 117.35 120.87 2x4u s TYR 257 Ca 0.05 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 2x4u s TYR 257 Cb 0.06 -2.03 -0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2x4u s TYR 257 CO 0.63 0.52 -0.04 0.95 -1.57 0.00 0.00 175.55 176.04 2x4u s THR 258 N -1.47 0.34 -0.20 -0.71 -4.23 -0.43 -4.39 115.64 104.54 2x4u s THR 258 Ca 0.35 -0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.55 2x4u s THR 258 Cb -0.13 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 2x4u s THR 258 CO 0.20 0.07 0.09 0.00 -0.54 0.00 0.00 174.62 174.44 2x4u s HIS 260 N 0.52 3.07 -0.17 0.00 2.46 0.12 -0.23 115.29 121.06 2x4u s HIS 260 Ca 0.05 -0.28 0.01 0.00 0.47 0.00 0.00 55.06 55.31 2x4u s HIS 260 Cb -0.12 -2.01 0.02 0.00 -0.13 0.00 0.00 32.58 30.33 2x4u s HIS 260 CO 0.01 -0.06 -0.18 0.08 -2.47 0.00 0.00 174.74 172.12 2x4u s VAL 261 N 0.53 1.89 -0.12 0.89 1.01 -0.42 -1.61 120.40 122.58 2x4u s VAL 261 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2x4u s VAL 261 Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2x4u s VAL 261 CO 0.02 0.51 -0.13 -1.10 0.00 0.00 0.00 175.10 174.40 2x4u s GLN 262 N 1.32 3.26 -0.14 2.72 -0.21 -0.12 -1.10 119.66 125.39 2x4u s GLN 262 Ca 0.04 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.45 2x4u s GLN 262 Cb -0.13 -2.60 0.07 0.00 1.00 0.00 0.00 33.01 31.36 2x4u s GLN 262 CO -0.11 0.28 0.72 -1.58 -2.12 0.00 0.00 175.29 172.48 2x4u s HIS 263 N 0.18 -0.69 0.50 0.91 2.46 -1.26 -1.76 115.29 115.63 2x4u s HIS 263 Ca -0.07 1.39 0.25 0.00 0.47 0.00 0.00 55.06 57.10 2x4u s HIS 263 Cb -0.15 0.36 1.33 0.00 -0.13 0.00 0.00 32.58 33.99 2x4u s HIS 263 CO 0.05 -0.50 1.93 1.49 -2.47 0.00 0.00 174.74 175.24 2x4u h GLU 264 N 3.73 0.11 -0.00 2.88 4.81 -1.94 -0.97 114.58 123.20 2x4u h GLU 264 Ca -0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2x4u h GLU 264 Cb 1.15 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2x4u h GLU 264 CO 0.26 0.07 -0.08 0.41 -0.73 0.00 0.00 179.01 178.94 2x4u n GLY 265 N -1.63 -0.90 3.71 1.92 0.00 -1.26 -4.80 105.19 102.22 2x4u n GLY 265 Ca 0.15 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2x4u n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4u s LEU 266 N -2.39 4.21 0.22 0.99 1.43 -0.37 -4.52 118.68 118.25 2x4u s LEU 266 Ca 0.32 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2x4u s LEU 266 Cb 0.20 -2.37 0.32 0.00 0.03 0.00 0.00 46.19 44.37 2x4u s LEU 266 CO 0.45 0.05 1.77 1.55 0.23 0.00 0.00 176.35 180.40 2x4u h PRO 267 N 6.95 0.54 -4.69 1.29 0.13 -1.87 -3.43 132.00 130.91 2x4u h PRO 267 Ca -0.39 -0.03 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 2x4u h PRO 267 Cb 1.16 -0.12 -0.21 0.00 0.13 0.00 0.00 31.00 31.96 2x4u h PRO 267 CO 0.74 0.36 -0.74 0.15 -0.23 0.00 0.00 178.00 178.27 2x4u s LYS 268 N -6.07 0.60 0.49 0.86 1.02 -1.26 -5.13 119.74 110.25 2x4u s LYS 268 Ca -0.13 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 54.81 2x4u s LYS 268 Cb 0.18 -0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.04 2x4u s LYS 268 CO 0.76 0.07 1.15 -2.30 -0.92 0.00 0.00 175.35 174.10 2x4u n PRO 269 N 1.32 1.48 -3.38 -1.68 -0.02 -1.26 -4.96 135.00 126.49 2x4u n PRO 269 Ca -0.22 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.45 2x4u n PRO 269 Cb 0.55 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2x4u n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x4u s LEU 270 N -1.86 4.31 -0.19 2.45 1.43 -0.26 -4.92 118.68 119.65 2x4u s LEU 270 Ca 0.67 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2x4u s LEU 270 Cb -0.48 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.45 2x4u s LEU 270 CO 0.53 0.08 -0.17 -0.89 0.23 0.00 0.00 176.35 176.13 2x4u s THR 271 N -1.52 1.95 0.04 5.49 2.01 -1.26 -1.30 115.64 121.05 2x4u s THR 271 Ca 0.39 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2x4u s THR 271 Cb -0.14 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2x4u s THR 271 CO 0.19 0.40 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.63 2x4u s LEU 272 N 1.31 2.85 -0.03 4.42 1.02 0.67 -4.94 118.68 123.99 2x4u s LEU 272 Ca 0.02 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.77 2x4u s LEU 272 Cb -0.14 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.41 2x4u s LEU 272 CO -0.11 0.25 0.14 0.00 0.02 0.00 0.00 176.35 176.65 2x4u s ARG 273 N -1.57 0.34 -0.57 1.70 1.70 -1.26 0.30 118.95 119.59 2x4u s ARG 273 Ca 0.17 -0.12 -0.27 0.00 -0.47 0.00 0.00 55.73 55.03 2x4u s ARG 273 Cb -0.11 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.42 2x4u s ARG 273 CO 0.07 -0.07 1.65 -0.46 -1.08 0.00 0.00 175.30 175.41 2x4u s TRP 274 N -0.71 1.95 0.00 5.89 -0.11 -1.26 -5.06 118.94 119.64 2x4u s TRP 274 Ca -0.08 0.58 0.00 0.00 1.22 0.00 0.00 56.10 57.82 2x4u s TRP 274 Cb -0.05 -4.25 0.00 0.00 -1.50 0.00 0.00 33.47 27.68 2x4u s TRP 274 CO 0.01 -2.26 0.00 -0.85 -4.62 0.00 0.00 176.95 169.23