#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f54 s SER 2 N 0.00 5.10 0.18 1.61 0.01 -1.26 -3.42 113.70 115.92 2f54 s SER 2 Ca 0.00 1.93 -0.00 0.00 1.31 0.00 0.00 55.95 59.19 2f54 s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2f54 s SER 2 CO 0.00 -1.64 0.09 -1.00 0.41 0.00 0.00 173.24 171.10 2f54 s HIS 3 N -2.48 1.13 -0.01 2.43 3.76 -0.55 -4.95 115.29 114.62 2f54 s HIS 3 Ca 0.65 -1.28 -0.28 0.00 -0.15 0.00 0.00 55.06 54.01 2f54 s HIS 3 Cb -0.19 -0.60 0.06 0.00 1.11 0.00 0.00 32.58 32.97 2f54 s HIS 3 CO 0.44 -0.52 0.63 -1.54 -0.85 0.00 0.00 174.74 172.90 2f54 s SER 4 N -3.15 -0.59 -0.06 1.40 1.04 -1.26 -1.73 113.70 109.34 2f54 s SER 4 Ca 0.33 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2f54 s SER 4 Cb 0.07 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 2f54 s SER 4 CO 0.08 -0.65 -0.19 -0.32 0.98 0.00 0.00 173.24 173.14 2f54 s MET 5 N -1.62 2.19 0.01 4.02 -2.45 -0.87 -0.53 119.30 120.05 2f54 s MET 5 Ca -0.09 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 53.68 2f54 s MET 5 Cb -0.01 -1.80 -0.01 0.00 1.25 0.00 0.00 34.83 34.27 2f54 s MET 5 CO 0.06 0.20 -0.04 1.03 1.05 0.00 0.00 175.02 177.32 2f54 s ARG 6 N 0.22 0.31 -0.06 4.11 1.81 -0.74 -2.19 118.95 122.41 2f54 s ARG 6 Ca -0.10 -0.30 0.05 0.00 -1.72 0.00 0.00 55.73 53.66 2f54 s ARG 6 Cb -0.14 -0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.13 2f54 s ARG 6 CO 0.04 0.05 -0.21 0.71 -0.68 0.00 0.00 175.30 175.22 2f54 s TYR 7 N -0.49 2.55 -0.04 -0.53 1.51 -0.81 -0.15 117.35 119.38 2f54 s TYR 7 Ca -0.03 -0.56 0.07 0.00 -1.01 0.00 0.00 57.07 55.54 2f54 s TYR 7 Cb -0.04 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2f54 s TYR 7 CO -0.00 -0.11 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.02 2f54 s PHE 8 N -0.25 2.36 -0.04 2.71 0.40 -0.14 -2.68 117.98 120.34 2f54 s PHE 8 Ca -0.00 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2f54 s PHE 8 Cb -0.13 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.87 2f54 s PHE 8 CO 0.03 -0.15 -0.09 -0.06 0.70 0.00 0.00 175.22 175.65 2f54 s PHE 9 N -0.33 1.06 -0.09 0.36 0.40 0.17 -1.03 117.98 118.52 2f54 s PHE 9 Ca 0.02 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2f54 s PHE 9 Cb -0.12 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 42.65 2f54 s PHE 9 CO 0.02 -0.16 -0.12 0.99 0.70 0.00 0.00 175.22 176.66 2f54 s THR 10 N 0.41 1.17 -0.08 0.64 2.01 -0.37 -1.09 115.64 118.33 2f54 s THR 10 Ca -0.07 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2f54 s THR 10 Cb -0.11 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.32 2f54 s THR 10 CO 0.01 0.37 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.67 2f54 s SER 11 N 1.00 1.84 -0.16 3.53 0.15 0.62 -1.42 113.70 119.26 2f54 s SER 11 Ca -0.08 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2f54 s SER 11 Cb -0.15 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 2f54 s SER 11 CO -0.00 -0.03 -0.15 -0.69 1.20 0.00 0.00 173.24 173.57 2f54 s VAL 12 N 1.06 1.65 0.43 4.45 1.01 -0.69 -0.92 120.40 127.38 2f54 s VAL 12 Ca -0.07 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2f54 s VAL 12 Cb -0.15 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 2f54 s VAL 12 CO -0.01 0.46 1.27 -0.94 0.00 0.00 0.00 175.10 175.88 2f54 s SER 13 N 1.45 6.23 -0.48 3.32 1.04 -0.43 -1.64 113.70 123.20 2f54 s SER 13 Ca 0.05 2.56 0.07 0.00 0.48 0.00 0.00 55.95 59.11 2f54 s SER 13 Cb -0.13 -2.63 0.25 0.00 0.10 0.00 0.00 66.02 63.61 2f54 s SER 13 CO -0.11 -0.90 0.59 0.54 0.98 0.00 0.00 173.24 174.34 2f54 n ARG 14 N -0.07 1.30 -1.65 4.02 1.74 -1.26 -4.20 116.66 116.54 2f54 n ARG 14 Ca 0.05 -3.71 -0.52 0.00 -0.77 0.00 0.00 57.85 52.90 2f54 n ARG 14 Cb 0.45 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 2f54 n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2f54 n PRO 15 N 1.27 1.59 0.00 5.56 -0.02 -1.26 -0.64 135.00 141.50 2f54 n PRO 15 Ca 0.24 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2f54 n PRO 15 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2f54 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f54 n GLY 16 N 4.76 2.72 2.41 -1.23 0.00 -1.26 -4.88 105.19 107.72 2f54 n GLY 16 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 2f54 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f54 n ARG 17 N -2.00 3.13 0.00 1.61 1.74 0.19 -5.07 116.66 116.27 2f54 n ARG 17 Ca 0.00 -3.87 0.00 0.00 -0.77 0.00 0.00 57.85 53.21 2f54 n ARG 17 Cb 0.00 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 2f54 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f54 n GLY 18 N -0.67 -1.37 3.81 -0.13 0.00 -1.24 -4.88 105.19 100.71 2f54 n GLY 18 Ca 0.50 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2f54 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f54 s GLU 19 N 0.00 2.99 0.83 1.61 8.01 -1.26 -4.61 118.70 126.26 2f54 s GLU 19 Ca 0.00 1.02 -0.11 0.00 0.01 0.00 0.00 54.97 55.90 2f54 s GLU 19 Cb 0.00 -1.99 0.09 0.00 -4.31 0.00 0.00 34.13 27.92 2f54 s GLU 19 CO 0.00 -1.06 1.10 -2.14 0.01 0.00 0.00 175.26 173.17 2f54 s PRO 20 N -4.82 1.78 0.05 0.39 0.02 -1.26 -4.64 135.00 126.51 2f54 s PRO 20 Ca 0.59 1.20 -0.10 0.00 0.02 0.00 0.00 61.00 62.72 2f54 s PRO 20 Cb -0.15 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2f54 s PRO 20 CO 0.51 -1.99 0.37 0.50 -0.33 0.00 0.00 177.00 176.06 2f54 s ARG 21 N -4.84 3.74 -0.05 5.54 3.52 -0.65 -4.89 118.95 121.32 2f54 s ARG 21 Ca 0.63 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.40 2f54 s ARG 21 Cb -0.19 -3.05 0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2f54 s ARG 21 CO 0.57 0.60 -0.12 0.12 -0.81 0.00 0.00 175.30 175.66 2f54 s PHE 22 N -1.33 1.34 -0.08 5.12 5.36 -1.26 -1.70 117.98 125.44 2f54 s PHE 22 Ca 0.30 -0.43 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2f54 s PHE 22 Cb -0.14 -0.97 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 2f54 s PHE 22 CO 0.17 -0.21 -0.04 0.42 -1.46 0.00 0.00 175.22 174.10 2f54 s ILE 23 N 0.44 0.69 -0.11 3.12 1.01 -0.51 -1.80 121.20 124.03 2f54 s ILE 23 Ca -0.10 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2f54 s ILE 23 Cb -0.13 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2f54 s ILE 23 CO 0.02 0.30 -0.23 0.00 0.00 0.00 0.00 174.94 175.03 2f54 s ALA 24 N 1.55 2.20 0.13 9.38 0.00 -0.11 -1.24 121.76 133.67 2f54 s ALA 24 Ca -0.00 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.04 2f54 s ALA 24 Cb -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2f54 s ALA 24 CO -0.04 0.20 -0.21 0.08 0.00 0.00 0.00 175.76 175.79 2f54 s VAL 25 N 0.47 1.82 -0.04 0.00 1.01 -0.20 -0.70 120.40 122.77 2f54 s VAL 25 Ca -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.15 2f54 s VAL 25 Cb -0.17 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2f54 s VAL 25 CO 0.06 -0.11 -0.05 -0.83 0.00 0.00 0.00 175.10 174.17 2f54 s GLY 26 N -2.15 0.42 0.21 4.51 0.00 -0.70 -0.97 107.32 108.64 2f54 s GLY 26 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.83 2f54 s GLY 26 CO 0.05 0.34 -0.13 -0.19 0.00 0.00 0.00 173.10 173.17 2f54 s TYR 27 N 0.76 1.71 -0.11 1.90 1.51 0.78 0.12 117.35 124.02 2f54 s TYR 27 Ca -0.10 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.34 2f54 s TYR 27 Cb -0.13 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.95 2f54 s TYR 27 CO 0.00 0.34 0.04 0.08 -1.11 0.00 0.00 175.55 174.90 2f54 s VAL 28 N -3.00 0.16 0.00 0.71 1.01 0.06 -1.79 120.40 117.56 2f54 s VAL 28 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2f54 s VAL 28 Cb -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2f54 s VAL 28 CO 0.07 0.02 0.00 0.47 0.00 0.00 0.00 175.10 175.66 2f54 n ASP 29 N 5.20 0.00 -1.20 3.32 8.00 0.31 -1.10 116.55 131.09 2f54 n ASP 29 Ca -0.06 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.45 2f54 n ASP 29 Cb 0.49 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.76 2f54 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2f54 n ASP 30 N 0.43 3.17 -4.12 -2.24 8.00 -1.26 -4.81 116.55 115.71 2f54 n ASP 30 Ca 0.00 -2.47 -0.33 0.00 0.71 0.00 0.00 54.79 52.70 2f54 n ASP 30 Cb 0.00 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 2f54 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2f54 s THR 31 N -1.74 2.43 0.44 -3.53 2.01 -0.26 -5.02 115.64 109.97 2f54 s THR 31 Ca 0.25 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.65 2f54 s THR 31 Cb 0.19 -2.32 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 2f54 s THR 31 CO 0.07 0.10 1.27 -1.58 -0.69 0.00 0.00 174.62 173.78 2f54 s GLN 32 N 1.20 3.80 0.00 4.92 0.74 -1.26 -0.76 119.66 128.30 2f54 s GLN 32 Ca -0.04 2.05 0.00 0.00 0.05 0.00 0.00 55.36 57.42 2f54 s GLN 32 Cb -0.18 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.34 2f54 s GLN 32 CO -0.06 -0.60 0.00 1.97 -0.55 0.00 0.00 175.29 176.05 2f54 n PHE 33 N -0.20 0.00 -4.13 1.67 -1.74 0.32 -4.24 117.46 109.13 2f54 n PHE 33 Ca 0.06 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 2f54 n PHE 33 Cb 0.45 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 2f54 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2f54 s VAL 34 N -0.91 0.12 -0.10 1.97 -7.23 -1.18 -0.29 120.40 112.77 2f54 s VAL 34 Ca 0.00 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 2f54 s VAL 34 Cb 0.00 -1.95 0.11 0.00 0.56 0.00 0.00 36.38 35.10 2f54 s VAL 34 CO 0.00 -0.54 0.94 0.00 -0.31 0.00 0.00 175.10 175.19 2f54 s ARG 35 N -4.02 0.70 -0.03 4.82 1.04 -0.63 -1.72 118.95 119.12 2f54 s ARG 35 Ca 0.21 0.01 -0.02 0.00 -1.04 0.00 0.00 55.73 54.90 2f54 s ARG 35 Cb 0.07 0.33 0.01 0.00 -2.04 0.00 0.00 34.95 33.32 2f54 s ARG 35 CO -0.00 -0.25 0.06 0.12 -0.04 0.00 0.00 175.30 175.19 2f54 s PHE 36 N -1.76 -0.06 -0.09 5.89 5.36 0.13 -0.78 117.98 126.67 2f54 s PHE 36 Ca -0.00 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2f54 s PHE 36 Cb -0.01 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.68 2f54 s PHE 36 CO -0.01 -0.06 -0.00 0.34 -1.46 0.00 0.00 175.22 174.03 2f54 s ASP 37 N 0.32 1.79 0.37 6.13 -1.08 -1.26 -0.94 116.67 122.01 2f54 s ASP 37 Ca -0.02 -0.19 0.07 0.00 -0.52 0.00 0.00 52.55 51.89 2f54 s ASP 37 Cb -0.04 -0.50 0.78 0.00 -1.46 0.00 0.00 42.92 41.71 2f54 s ASP 37 CO -0.01 -0.20 1.95 0.77 0.52 0.00 0.00 175.17 178.20 2f54 h SER 38 N 8.30 0.63 1.47 -0.34 4.64 -1.75 -2.43 113.55 124.08 2f54 h SER 38 Ca -0.20 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2f54 h SER 38 Cb 1.12 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2f54 h SER 38 CO 0.28 0.39 0.00 0.44 -0.87 0.00 0.00 176.83 177.08 2f54 h ASP 39 N 0.71 0.00 -4.09 4.97 5.19 -1.95 -3.46 116.42 117.79 2f54 h ASP 39 Ca 0.33 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.25 2f54 h ASP 39 Cb 0.35 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.90 2f54 h ASP 39 CO -0.11 0.00 0.40 0.00 -3.12 0.00 0.00 179.24 176.40 2f54 s ALA 40 N -3.16 2.80 -0.19 3.45 0.00 -0.92 -4.94 121.76 118.81 2f54 s ALA 40 Ca 0.09 0.65 0.28 0.00 0.00 0.00 0.00 51.96 52.98 2f54 s ALA 40 Cb 0.11 -3.28 1.22 0.00 0.00 0.00 0.00 23.12 21.17 2f54 s ALA 40 CO 0.59 -0.51 1.84 0.00 0.00 0.00 0.00 175.76 177.68 2f54 h ALA 41 N 1.32 1.00 0.63 0.00 0.00 -1.88 -3.31 119.26 117.02 2f54 h ALA 41 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2f54 h ALA 41 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2f54 h ALA 41 CO 0.58 0.00 -0.30 1.03 0.00 0.00 0.00 179.25 180.56 2f54 h SER 42 N 0.00 -0.71 -2.99 0.00 0.87 -1.92 -3.47 113.55 105.33 2f54 h SER 42 Ca 0.00 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.31 2f54 h SER 42 Cb 0.35 0.18 0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2f54 h SER 42 CO 0.00 -0.37 -0.35 0.00 -0.53 0.00 0.00 176.83 175.58 2f54 n GLN 43 N -5.38 -3.23 -3.93 2.24 1.13 -1.25 -5.02 117.38 101.95 2f54 n GLN 43 Ca -0.12 0.49 -0.09 0.00 -1.94 0.00 0.00 57.00 55.34 2f54 n GLN 43 Cb 0.36 -4.49 -0.08 0.00 0.11 0.00 0.00 30.24 26.14 2f54 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2f54 s ARG 44 N -5.34 0.94 0.14 -1.09 0.52 -1.26 -5.03 118.95 107.84 2f54 s ARG 44 Ca 0.21 -1.09 -0.31 0.00 -0.52 0.00 0.00 55.73 54.03 2f54 s ARG 44 Cb -0.09 0.34 -0.08 0.00 0.52 0.00 0.00 34.95 35.63 2f54 s ARG 44 CO 0.27 -0.31 1.32 -1.64 0.02 0.00 0.00 175.30 174.96 2f54 s MET 45 N -3.92 4.37 0.07 3.54 -1.94 -1.26 -4.68 119.30 115.48 2f54 s MET 45 Ca 0.11 2.02 0.08 0.00 -1.71 0.00 0.00 55.69 56.19 2f54 s MET 45 Cb 0.05 -3.24 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2f54 s MET 45 CO -0.06 -0.32 -0.21 -1.21 -0.01 0.00 0.00 175.02 173.21 2f54 s GLU 46 N 0.56 1.88 0.23 2.03 2.02 0.04 -4.92 118.70 120.53 2f54 s GLU 46 Ca 0.60 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 2f54 s GLU 46 Cb -0.35 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.69 2f54 s GLU 46 CO 0.33 0.51 1.12 -1.25 0.02 0.00 0.00 175.26 176.00 2f54 s PRO 47 N -1.65 4.59 0.00 0.39 0.04 -1.26 -1.60 135.00 135.52 2f54 s PRO 47 Ca 0.15 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2f54 s PRO 47 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2f54 s PRO 47 CO 0.06 0.11 0.69 -2.13 0.04 0.00 0.00 177.00 175.77 2f54 n ARG 48 N 1.80 1.26 -3.79 4.56 3.00 0.60 -4.91 116.66 119.18 2f54 n ARG 48 Ca 0.01 -0.91 -0.13 0.00 -0.00 0.00 0.00 57.85 56.82 2f54 n ARG 48 Cb 0.45 -0.75 -0.10 0.00 0.00 0.00 0.00 32.46 32.07 2f54 n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f54 s ALA 49 N -0.44 -0.68 0.00 5.13 0.00 -1.21 -4.58 121.76 119.99 2f54 s ALA 49 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2f54 s ALA 49 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2f54 s ALA 49 CO 0.00 -0.21 0.77 -2.30 0.00 0.00 0.00 175.76 174.02 2f54 n PRO 50 N 1.82 0.00 -0.66 0.00 -0.02 -1.26 -4.33 135.00 130.55 2f54 n PRO 50 Ca -0.19 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 2f54 n PRO 50 Cb 0.56 -1.27 0.18 0.00 -0.02 0.00 0.00 33.50 32.96 2f54 n PRO 50 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2f54 n TRP 51 N -2.00 -1.21 0.00 6.00 4.27 -1.26 -2.81 117.44 120.43 2f54 n TRP 51 Ca 0.00 0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 2f54 n TRP 51 Cb 0.00 -1.68 0.00 0.00 -1.36 0.00 0.00 31.31 28.27 2f54 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2f54 n ILE 52 N -4.34 0.00 0.50 -1.67 0.00 -1.26 -4.77 119.36 107.82 2f54 n ILE 52 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 62.75 62.89 2f54 n ILE 52 Cb 0.58 0.00 0.42 0.00 0.00 0.00 0.00 39.64 40.64 2f54 n ILE 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2f54 n GLU 53 N 0.00 0.11 0.01 9.51 1.02 -1.12 -2.02 120.64 128.14 2f54 n GLU 53 Ca 0.00 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2f54 n GLU 53 Cb 0.00 -1.69 0.57 0.00 -0.02 0.00 0.00 31.44 30.31 2f54 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f54 n GLN 54 N -1.88 0.03 -2.25 3.49 10.64 -1.26 -4.78 117.38 121.36 2f54 n GLN 54 Ca 0.03 0.04 -0.41 0.00 -1.83 0.00 0.00 57.00 54.84 2f54 n GLN 54 Cb 0.23 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.04 2f54 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2f54 s GLU 55 N -3.02 4.45 1.16 2.61 0.41 -0.86 -5.02 118.70 118.45 2f54 s GLU 55 Ca 0.13 2.05 -0.19 0.00 -0.41 0.00 0.00 54.97 56.56 2f54 s GLU 55 Cb 0.18 -3.13 0.27 0.00 -1.78 0.00 0.00 34.13 29.66 2f54 s GLU 55 CO 0.52 -0.07 1.13 0.20 -0.49 0.00 0.00 175.26 176.55 2f54 s GLY 56 N -0.45 1.61 0.34 -1.39 0.00 -1.26 -4.86 107.32 101.31 2f54 s GLY 56 Ca 0.49 -0.96 0.13 0.00 0.00 0.00 0.00 44.72 44.38 2f54 s GLY 56 CO 0.46 -0.10 1.76 -2.55 0.00 0.00 0.00 173.10 172.67 2f54 h PRO 57 N -2.44 0.00 -0.57 2.90 0.11 -1.98 -2.56 132.00 127.47 2f54 h PRO 57 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2f54 h PRO 57 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 2f54 h PRO 57 CO 0.36 0.44 0.28 1.49 -0.21 0.00 0.00 178.00 180.36 2f54 h GLU 58 N 0.00 0.51 -0.26 1.05 4.81 -1.99 0.41 114.58 119.12 2f54 h GLU 58 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2f54 h GLU 58 Cb 0.81 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2f54 h GLU 58 CO 0.06 0.34 0.12 -0.92 -0.73 0.00 0.00 179.01 177.88 2f54 h TYR 59 N 0.53 0.38 -0.40 0.92 3.20 -1.82 -2.29 116.97 117.49 2f54 h TYR 59 Ca 0.26 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2f54 h TYR 59 Cb 0.19 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2f54 h TYR 59 CO -0.11 0.37 0.24 -1.49 -1.64 0.00 0.00 178.16 175.54 2f54 h TRP 60 N 0.28 0.53 -0.47 -3.82 4.06 -0.94 -0.80 115.95 114.79 2f54 h TRP 60 Ca 0.09 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.08 2f54 h TRP 60 Cb 0.14 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.08 2f54 h TRP 60 CO -0.02 0.38 0.23 -0.44 -3.56 0.00 0.00 178.44 175.03 2f54 h ASP 61 N 0.53 0.32 -0.45 -3.49 3.32 -0.21 0.48 116.42 116.91 2f54 h ASP 61 Ca 0.14 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2f54 h ASP 61 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2f54 h ASP 61 CO -0.03 0.22 0.17 1.23 -1.72 0.00 0.00 179.24 179.11 2f54 h GLY 62 N 0.45 0.73 0.63 2.75 0.00 -0.97 0.39 103.07 107.05 2f54 h GLY 62 Ca 0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2f54 h GLY 62 CO -0.16 0.39 -0.06 0.83 0.00 0.00 0.00 176.54 177.54 2f54 h GLU 63 N 0.58 -0.15 -0.58 4.80 4.39 -0.98 0.92 114.58 123.56 2f54 h GLU 63 Ca 0.15 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.98 2f54 h GLU 63 Cb 0.22 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.79 2f54 h GLU 63 CO -0.01 0.21 -0.17 1.15 -1.16 0.00 0.00 179.01 179.03 2f54 h THR 64 N -0.53 0.38 -0.18 1.13 2.02 -0.80 0.42 112.91 115.34 2f54 h THR 64 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 2f54 h THR 64 Cb 0.43 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2f54 h THR 64 CO 0.03 0.00 0.10 -0.09 0.37 0.00 0.00 175.52 175.92 2f54 h ARG 65 N -0.03 0.20 -0.60 6.66 2.43 -0.00 -2.21 114.38 120.84 2f54 h ARG 65 Ca 0.28 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2f54 h ARG 65 Cb 0.45 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2f54 h ARG 65 CO -0.61 0.13 0.12 0.87 -1.51 0.00 0.00 179.97 178.97 2f54 h LYS 66 N 0.21 0.98 -0.08 0.20 1.57 0.52 -2.65 116.57 117.31 2f54 h LYS 66 Ca 0.07 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2f54 h LYS 66 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2f54 h LYS 66 CO -0.04 0.91 -0.16 -0.24 -0.57 0.00 0.00 179.45 179.34 2f54 h VAL 67 N 0.88 1.17 -0.10 0.50 3.04 -0.02 -0.41 116.25 121.31 2f54 h VAL 67 Ca 0.19 -0.76 -0.16 0.00 -1.01 0.00 0.00 66.70 64.96 2f54 h VAL 67 Cb 0.39 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2f54 h VAL 67 CO 0.01 0.23 -0.63 0.11 -1.01 0.00 0.00 177.57 176.27 2f54 h LYS 68 N 0.13 0.37 -0.47 4.17 1.57 -1.25 -1.91 116.57 119.18 2f54 h LYS 68 Ca 0.03 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2f54 h LYS 68 Cb 0.37 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2f54 h LYS 68 CO 0.02 0.88 0.29 0.00 -0.57 0.00 0.00 179.45 180.08 2f54 h ALA 69 N 1.05 0.60 -0.90 3.86 0.00 -0.89 -1.47 119.26 121.51 2f54 h ALA 69 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2f54 h ALA 69 Cb 1.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2f54 h ALA 69 CO 0.11 -0.00 0.58 0.45 0.00 0.00 0.00 179.25 180.38 2f54 h HIS 70 N 0.59 1.07 -0.37 0.00 3.86 -0.83 -1.32 115.15 118.15 2f54 h HIS 70 Ca 0.18 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.30 2f54 h HIS 70 Cb -0.02 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 2f54 h HIS 70 CO -0.06 0.58 -0.23 0.66 0.86 0.00 0.00 177.93 179.74 2f54 h SER 71 N 1.08 0.85 0.12 2.45 4.64 -0.96 -1.84 113.55 119.89 2f54 h SER 71 Ca 0.38 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2f54 h SER 71 Cb 0.10 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2f54 h SER 71 CO -0.15 1.09 -0.06 -0.61 -0.87 0.00 0.00 176.83 176.23 2f54 h GLN 72 N 0.61 -0.16 -0.67 4.77 -0.00 -0.99 0.14 115.11 118.81 2f54 h GLN 72 Ca 0.08 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.86 2f54 h GLN 72 Cb 0.80 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.22 2f54 h GLN 72 CO 0.07 -0.07 0.20 1.15 0.00 0.00 0.00 178.83 180.18 2f54 h THR 73 N -0.20 0.64 -0.17 2.39 2.02 -1.15 -0.49 112.91 115.96 2f54 h THR 73 Ca -0.02 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 2f54 h THR 73 Cb 0.16 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2f54 h THR 73 CO 0.03 0.06 -0.31 0.45 0.37 0.00 0.00 175.52 176.12 2f54 h HIS 74 N 0.34 0.38 -0.80 3.16 3.86 -0.85 -0.31 115.15 120.93 2f54 h HIS 74 Ca 0.36 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.58 2f54 h HIS 74 Cb 0.54 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 2f54 h HIS 74 CO -0.21 0.62 0.45 -0.09 0.86 0.00 0.00 177.93 179.55 2f54 h ARG 75 N 0.29 0.73 0.43 2.45 2.43 0.93 -0.66 114.38 120.97 2f54 h ARG 75 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2f54 h ARG 75 Cb 0.70 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2f54 h ARG 75 CO 0.05 0.48 -0.21 0.28 -1.51 0.00 0.00 179.97 179.07 2f54 h VAL 76 N 0.75 0.21 -0.84 0.20 2.07 -1.12 -3.28 116.25 114.24 2f54 h VAL 76 Ca 0.39 -0.61 0.23 0.00 0.82 0.00 0.00 66.70 67.53 2f54 h VAL 76 Cb 0.37 0.33 -0.16 0.00 -1.52 0.00 0.00 31.29 30.31 2f54 h VAL 76 CO -0.25 0.05 0.02 0.47 0.02 0.00 0.00 177.57 177.88 2f54 n ASP 77 N -5.17 -0.09 -0.09 0.57 8.00 -0.16 0.14 116.55 119.76 2f54 n ASP 77 Ca -0.08 1.42 -0.06 0.00 0.71 0.00 0.00 54.79 56.77 2f54 n ASP 77 Cb 0.26 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 2f54 n ASP 77 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2f54 h LEU 78 N 0.00 -0.13 -1.17 0.64 3.38 -1.21 0.17 115.31 117.00 2f54 h LEU 78 Ca 0.51 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.53 2f54 h LEU 78 Cb 1.06 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2f54 h LEU 78 CO -0.78 -0.03 0.25 1.23 0.09 0.00 0.00 178.44 179.20 2f54 h GLY 79 N 0.09 0.89 1.23 0.83 0.00 0.11 -1.02 103.07 105.21 2f54 h GLY 79 Ca 0.15 -0.44 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 2f54 h GLY 79 CO -0.26 0.41 -1.11 0.00 0.00 0.00 0.00 176.54 175.59 2f54 h THR 80 N 0.83 1.28 -0.06 4.70 1.03 -0.94 -1.38 112.91 118.37 2f54 h THR 80 Ca 0.20 -2.32 -0.01 0.00 -0.01 0.00 0.00 66.41 64.27 2f54 h THR 80 Cb 0.13 2.48 -0.00 0.00 -1.07 0.00 0.00 68.15 69.69 2f54 h THR 80 CO -0.02 0.72 0.01 -0.07 -0.01 0.00 0.00 175.52 176.15 2f54 h LEU 81 N 0.35 0.09 -0.78 0.00 3.38 -0.56 0.45 115.31 118.24 2f54 h LEU 81 Ca -0.15 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 57.77 2f54 h LEU 81 Cb 1.77 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.38 2f54 h LEU 81 CO 0.22 0.30 0.20 -0.09 0.09 0.00 0.00 178.44 179.15 2f54 h ARG 82 N -0.13 0.26 0.41 1.13 1.12 -1.24 -0.64 114.38 115.29 2f54 h ARG 82 Ca 0.02 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2f54 h ARG 82 Cb 0.24 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2f54 h ARG 82 CO 0.00 0.17 -0.20 0.78 -3.11 0.00 0.00 179.97 177.62 2f54 h GLY 83 N 0.27 -0.58 -0.24 2.80 0.00 -0.47 -1.08 103.07 103.77 2f54 h GLY 83 Ca 0.45 0.21 0.11 0.00 0.00 0.00 0.00 47.33 48.10 2f54 h GLY 83 CO -0.54 -0.21 -0.22 -0.97 0.00 0.00 0.00 176.54 174.60 2f54 h TYR 84 N -0.69 -0.54 -0.01 5.60 0.05 0.13 0.46 116.97 121.98 2f54 h TYR 84 Ca -0.06 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2f54 h TYR 84 Cb 0.50 0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2f54 h TYR 84 CO -0.02 -0.31 0.00 0.66 -1.05 0.00 0.00 178.16 177.44 2f54 n TYR 85 N -5.42 0.01 -3.79 4.88 4.01 -0.58 -4.91 117.16 111.34 2f54 n TYR 85 Ca 0.05 -0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 2f54 n TYR 85 Cb 0.33 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.39 2f54 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2f54 n ASN 86 N -0.77 -3.03 -4.90 7.72 4.05 0.15 -4.97 115.26 113.51 2f54 n ASN 86 Ca 0.20 -0.79 -0.30 0.00 0.45 0.00 0.00 54.58 54.14 2f54 n ASN 86 Cb 0.12 -4.02 -0.04 0.00 1.23 0.00 0.00 39.78 37.07 2f54 n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2f54 s GLN 87 N -6.29 3.67 0.76 1.20 -0.21 -0.46 -5.05 119.66 113.28 2f54 s GLN 87 Ca 0.33 0.06 -0.12 0.00 0.02 0.00 0.00 55.36 55.64 2f54 s GLN 87 Cb -0.16 -2.68 0.05 0.00 1.00 0.00 0.00 33.01 31.22 2f54 s GLN 87 CO 0.82 0.28 1.12 -1.54 -2.12 0.00 0.00 175.29 173.84 2f54 s SER 88 N -2.86 4.41 0.00 5.90 1.04 -1.26 -4.78 113.70 116.14 2f54 s SER 88 Ca 0.44 1.99 0.28 0.00 0.48 0.00 0.00 55.95 59.13 2f54 s SER 88 Cb -0.11 -2.54 0.97 0.00 0.10 0.00 0.00 66.02 64.44 2f54 s SER 88 CO 0.27 -2.11 1.70 -0.62 0.98 0.00 0.00 173.24 173.46 2f54 n GLU 89 N -3.22 0.93 0.10 4.02 1.02 -1.26 -3.81 120.64 118.41 2f54 n GLU 89 Ca 0.10 -0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 56.72 2f54 n GLU 89 Cb 0.52 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2f54 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f54 h ALA 90 N 3.78 0.65 -2.75 0.62 0.00 -1.97 -3.43 119.26 116.16 2f54 h ALA 90 Ca 0.00 -0.73 -0.56 0.00 0.00 0.00 0.00 54.91 53.62 2f54 h ALA 90 Cb 0.45 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2f54 h ALA 90 CO 0.00 0.99 0.03 0.20 0.00 0.00 0.00 179.25 180.46 2f54 s GLY 91 N -4.57 2.58 0.21 0.00 0.00 -1.25 -4.74 107.32 99.55 2f54 s GLY 91 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 2f54 s GLY 91 CO 0.80 1.03 0.96 -1.35 0.00 0.00 0.00 173.10 174.54 2f54 s SER 92 N 0.58 7.57 0.25 1.64 1.04 -1.26 -4.90 113.70 118.62 2f54 s SER 92 Ca 0.34 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.76 2f54 s SER 92 Cb -0.17 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.29 2f54 s SER 92 CO 0.16 0.07 -0.04 -1.00 0.98 0.00 0.00 173.24 173.41 2f54 s HIS 93 N -0.84 1.76 -0.07 5.02 3.76 -1.26 -4.91 115.29 118.75 2f54 s HIS 93 Ca 0.43 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.61 2f54 s HIS 93 Cb -0.26 -1.00 -0.00 0.00 1.11 0.00 0.00 32.58 32.43 2f54 s HIS 93 CO 0.32 0.16 -0.22 0.99 -0.85 0.00 0.00 174.74 175.14 2f54 s THR 94 N -3.18 1.84 -0.07 1.30 2.01 -1.26 -1.31 115.64 114.97 2f54 s THR 94 Ca 0.28 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.41 2f54 s THR 94 Cb 0.04 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.96 2f54 s THR 94 CO 0.10 0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.62 2f54 s VAL 95 N 0.16 1.98 0.02 3.82 1.01 -0.10 0.32 120.40 127.61 2f54 s VAL 95 Ca -0.11 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2f54 s VAL 95 Cb -0.15 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2f54 s VAL 95 CO 0.05 0.55 -0.14 -1.10 0.00 0.00 0.00 175.10 174.46 2f54 s GLN 96 N 0.09 1.02 0.01 2.72 -0.21 -0.38 -0.27 119.66 122.62 2f54 s GLN 96 Ca -0.10 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.65 2f54 s GLN 96 Cb -0.15 -1.01 -0.01 0.00 1.00 0.00 0.00 33.01 32.84 2f54 s GLN 96 CO 0.06 0.26 -0.01 0.50 -2.12 0.00 0.00 175.29 173.98 2f54 s ARG 97 N -0.75 0.09 -0.04 2.91 3.52 -0.25 -1.17 118.95 123.26 2f54 s ARG 97 Ca 0.03 -0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2f54 s ARG 97 Cb -0.07 0.02 0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2f54 s ARG 97 CO 0.00 -0.01 0.07 1.41 -0.81 0.00 0.00 175.30 175.96 2f54 s MET 98 N -0.38 -0.01 0.07 5.12 -2.45 -0.95 -0.65 119.30 120.05 2f54 s MET 98 Ca -0.04 0.28 -0.07 0.00 -1.25 0.00 0.00 55.69 54.61 2f54 s MET 98 Cb -0.03 -0.26 -0.01 0.00 1.25 0.00 0.00 34.83 35.78 2f54 s MET 98 CO -0.00 -0.19 0.13 1.52 1.05 0.00 0.00 175.02 177.52 2f54 s TYR 99 N 1.28 0.23 -4.26 4.11 -0.85 -1.09 -0.06 117.35 116.72 2f54 s TYR 99 Ca -0.07 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2f54 s TYR 99 Cb -0.12 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.08 2f54 s TYR 99 CO -0.04 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 173.92 2f54 n GLY 100 N 0.12 -1.23 3.21 5.49 0.00 -0.86 -1.93 105.19 109.99 2f54 n GLY 100 Ca -0.16 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 2f54 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f54 s ASP 102 N -3.13 1.94 0.13 0.00 1.01 -0.60 -2.05 116.67 113.96 2f54 s ASP 102 Ca 0.25 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.13 2f54 s ASP 102 Cb 0.07 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 2f54 s ASP 102 CO 0.04 0.12 -0.09 0.68 0.21 0.00 0.00 175.17 176.13 2f54 s VAL 103 N -0.67 1.04 0.00 -1.27 -7.23 -0.71 -0.55 120.40 111.01 2f54 s VAL 103 Ca 0.05 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2f54 s VAL 103 Cb -0.07 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2f54 s VAL 103 CO 0.01 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 2f54 n GLY 104 N -0.05 1.63 0.37 2.32 0.00 -0.77 -1.48 105.19 107.22 2f54 n GLY 104 Ca -0.12 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 43.98 2f54 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2f54 h SER 105 N 0.00 0.50 0.75 1.61 0.02 -1.91 0.62 113.55 115.14 2f54 h SER 105 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2f54 h SER 105 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2f54 h SER 105 CO 0.00 0.28 0.00 -0.90 -1.14 0.00 0.00 176.83 175.07 2f54 n ASP 106 N -4.50 0.00 -0.62 3.07 3.85 -1.26 -4.74 116.55 112.35 2f54 n ASP 106 Ca 0.13 0.48 -0.07 0.00 -0.71 0.00 0.00 54.79 54.62 2f54 n ASP 106 Cb 0.43 -0.49 -0.02 0.00 -1.35 0.00 0.00 41.12 39.68 2f54 n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2f54 n TRP 107 N -1.49 -0.09 -3.83 2.11 7.02 0.21 -5.03 117.44 116.33 2f54 n TRP 107 Ca 0.06 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.28 2f54 n TRP 107 Cb 0.26 -1.66 -0.03 0.00 -2.42 0.00 0.00 31.31 27.46 2f54 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2f54 s ARG 108 N -3.07 3.47 0.46 -0.99 0.52 -1.26 -4.81 118.95 113.27 2f54 s ARG 108 Ca 0.00 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.44 2f54 s ARG 108 Cb 0.00 -2.89 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 2f54 s ARG 108 CO 0.00 0.44 1.43 0.12 0.02 0.00 0.00 175.30 177.31 2f54 s PHE 109 N -1.86 2.42 0.15 -0.53 5.36 -1.26 -1.85 117.98 120.41 2f54 s PHE 109 Ca 0.36 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 2f54 s PHE 109 Cb -0.11 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2f54 s PHE 109 CO 0.29 -2.98 0.00 1.28 -1.46 0.00 0.00 175.22 172.35 2f54 n LEU 110 N -0.31 0.43 -4.12 6.12 4.32 0.28 -4.82 117.00 118.91 2f54 n LEU 110 Ca 0.06 0.24 -0.13 0.00 -0.02 0.00 0.00 56.01 56.16 2f54 n LEU 110 Cb 0.42 -0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.11 2f54 n LEU 110 CO 0.58 -0.66 -0.40 -0.60 -1.22 0.00 0.00 177.39 175.08 2f54 s ARG 111 N -2.00 0.69 0.21 3.23 6.06 -1.23 -4.99 118.95 120.92 2f54 s ARG 111 Ca 0.00 -0.99 0.09 0.00 -2.50 0.00 0.00 55.73 52.32 2f54 s ARG 111 Cb 0.00 -0.36 -0.05 0.00 0.06 0.00 0.00 34.95 34.61 2f54 s ARG 111 CO 0.00 0.05 -0.17 0.20 -2.50 0.00 0.00 175.30 172.88 2f54 s GLY 112 N -2.13 1.51 -0.03 8.12 0.00 -1.26 -1.56 107.32 111.97 2f54 s GLY 112 Ca -0.01 -1.65 -0.12 0.00 0.00 0.00 0.00 44.72 42.94 2f54 s GLY 112 CO -0.01 -1.73 0.26 -0.19 0.00 0.00 0.00 173.10 171.43 2f54 s TYR 113 N -2.56 -0.16 -0.29 1.90 2.02 -0.22 -4.89 117.35 113.15 2f54 s TYR 113 Ca 0.22 0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.16 2f54 s TYR 113 Cb -0.03 0.06 0.19 0.00 -0.40 0.00 0.00 41.96 41.78 2f54 s TYR 113 CO 0.08 -0.31 0.85 -1.58 -1.57 0.00 0.00 175.55 173.02 2f54 s HIS 114 N -1.00 -1.09 0.27 2.71 2.46 -1.25 -2.02 115.29 115.37 2f54 s HIS 114 Ca -0.11 0.65 0.11 0.00 0.47 0.00 0.00 55.06 56.18 2f54 s HIS 114 Cb -0.05 0.19 -0.05 0.00 -0.13 0.00 0.00 32.58 32.54 2f54 s HIS 114 CO 0.03 -0.63 -0.19 -0.65 -2.47 0.00 0.00 174.74 170.83 2f54 s GLN 115 N 2.90 1.62 -0.05 2.88 -0.21 0.92 -1.15 119.66 126.57 2f54 s GLN 115 Ca 0.20 -1.74 -0.07 0.00 0.02 0.00 0.00 55.36 53.76 2f54 s GLN 115 Cb -0.06 -1.65 0.01 0.00 1.00 0.00 0.00 33.01 32.32 2f54 s GLN 115 CO -0.24 0.30 0.18 -0.47 -2.12 0.00 0.00 175.29 172.94 2f54 s TYR 116 N -2.60 -0.15 0.00 0.91 6.14 -0.60 -2.23 117.35 118.82 2f54 s TYR 116 Ca 0.29 0.34 -0.04 0.00 0.64 0.00 0.00 57.07 58.30 2f54 s TYR 116 Cb -0.04 0.04 -0.00 0.00 0.42 0.00 0.00 41.96 42.38 2f54 s TYR 116 CO 0.14 -0.15 0.07 0.00 0.64 0.00 0.00 175.55 176.24 2f54 s ALA 117 N -0.31 -0.16 -0.09 3.97 0.00 -0.32 -1.23 121.76 123.63 2f54 s ALA 117 Ca -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2f54 s ALA 117 Cb -0.03 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2f54 s ALA 117 CO 0.01 -0.16 -0.17 -0.47 0.00 0.00 0.00 175.76 174.97 2f54 s TYR 118 N -1.09 1.96 -1.34 0.00 5.04 -0.19 -1.25 117.35 120.47 2f54 s TYR 118 Ca -0.12 -0.81 -0.05 0.00 -2.44 0.00 0.00 57.07 53.65 2f54 s TYR 118 Cb -0.07 -1.38 0.03 0.00 0.35 0.00 0.00 41.96 40.90 2f54 s TYR 118 CO 0.00 -0.38 0.37 -0.25 -1.34 0.00 0.00 175.55 173.95 2f54 n ASP 119 N 3.82 -4.62 0.00 4.32 10.43 0.15 -1.80 116.55 128.84 2f54 n ASP 119 Ca -0.21 -0.19 0.00 0.00 2.57 0.00 0.00 54.79 56.97 2f54 n ASP 119 Cb 0.52 -3.82 0.00 0.00 1.84 0.00 0.00 41.12 39.66 2f54 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f54 n GLY 120 N -1.17 0.53 3.27 0.44 0.00 -1.26 -5.00 105.19 102.00 2f54 n GLY 120 Ca -0.09 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2f54 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f54 s LYS 121 N -0.50 1.71 0.17 1.61 -2.85 -0.75 -5.09 119.74 114.05 2f54 s LYS 121 Ca 0.00 -0.92 -0.33 0.00 -1.00 0.00 0.00 55.97 53.72 2f54 s LYS 121 Cb 0.00 -1.76 -0.15 0.00 -2.06 0.00 0.00 37.83 33.86 2f54 s LYS 121 CO 0.00 0.47 1.23 -0.25 0.10 0.00 0.00 175.35 176.90 2f54 n ASP 122 N 2.17 1.65 0.00 0.03 8.00 -1.26 -1.02 116.55 126.12 2f54 n ASP 122 Ca -0.16 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.47 2f54 n ASP 122 Cb 0.52 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2f54 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f54 n TYR 123 N 1.74 0.00 -3.83 1.24 9.36 -0.36 -4.64 117.16 120.66 2f54 n TYR 123 Ca 0.15 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.25 2f54 n TYR 123 Cb 0.25 -0.03 -0.10 0.00 -0.63 0.00 0.00 39.34 38.84 2f54 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2f54 s ILE 124 N -1.29 0.07 -0.00 2.97 2.07 -1.19 0.31 121.20 124.15 2f54 s ILE 124 Ca -0.02 -0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 58.49 2f54 s ILE 124 Cb 0.00 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.13 2f54 s ILE 124 CO 0.02 -0.33 0.29 0.00 -1.91 0.00 0.00 174.94 173.02 2f54 s ALA 125 N -1.30 -0.72 -0.18 1.50 0.00 -0.86 -1.56 121.76 118.64 2f54 s ALA 125 Ca -0.14 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 2f54 s ALA 125 Cb -0.07 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2f54 s ALA 125 CO 0.02 -0.29 0.94 -1.17 0.00 0.00 0.00 175.76 175.26 2f54 s LEU 126 N -1.50 4.16 1.14 0.00 2.96 -0.30 -0.82 118.68 124.32 2f54 s LEU 126 Ca -0.12 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 54.97 2f54 s LEU 126 Cb -0.04 -3.40 0.27 0.00 0.50 0.00 0.00 46.19 43.52 2f54 s LEU 126 CO 0.02 -0.50 1.04 -0.54 -1.32 0.00 0.00 176.35 175.05 2f54 s LYS 127 N 2.50 -0.71 0.52 1.98 1.02 -0.76 -4.57 119.74 119.71 2f54 s LYS 127 Ca 0.42 0.88 0.23 0.00 0.02 0.00 0.00 55.97 57.52 2f54 s LYS 127 Cb -0.16 -1.57 1.34 0.00 -0.52 0.00 0.00 37.83 36.91 2f54 s LYS 127 CO 0.11 -3.60 2.00 1.49 -0.92 0.00 0.00 175.35 174.43 2f54 h GLU 128 N -2.53 0.06 0.00 1.68 4.22 -1.90 -1.49 114.58 114.61 2f54 h GLU 128 Ca -0.60 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.84 2f54 h GLU 128 Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2f54 h GLU 128 CO 0.50 0.04 0.00 -0.40 -2.18 0.00 0.00 179.01 176.97 2f54 n ASP 129 N -4.40 0.00 -3.80 1.04 5.68 -1.26 -4.77 116.55 109.04 2f54 n ASP 129 Ca 0.09 -0.48 -0.27 0.00 -0.50 0.00 0.00 54.79 53.64 2f54 n ASP 129 Cb 0.56 -0.13 0.01 0.00 -1.14 0.00 0.00 41.12 40.43 2f54 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2f54 n LEU 130 N -1.13 -2.64 0.00 -2.12 7.99 -0.56 -4.78 117.00 113.76 2f54 n LEU 130 Ca 0.16 -0.97 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 2f54 n LEU 130 Cb 0.14 -2.37 0.00 0.00 -0.11 0.00 0.00 43.42 41.07 2f54 n LEU 130 CO 0.17 0.44 0.00 -1.14 -1.51 0.00 0.00 177.39 175.35 2f54 n ARG 131 N -4.29 0.00 -4.17 3.23 0.63 -1.26 -4.77 116.66 106.03 2f54 n ARG 131 Ca -0.23 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.46 2f54 n ARG 131 Cb 0.65 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.49 2f54 n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2f54 s SER 132 N -0.98 4.41 0.28 6.15 1.04 -1.26 -4.81 113.70 118.52 2f54 s SER 132 Ca 0.00 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.50 2f54 s SER 132 Cb 0.00 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 2f54 s SER 132 CO 0.00 -0.46 -0.16 0.26 0.98 0.00 0.00 173.24 173.85 2f54 s TRP 133 N -2.57 2.17 -0.32 5.02 0.52 -1.26 -1.83 118.94 120.67 2f54 s TRP 133 Ca 0.40 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.08 2f54 s TRP 133 Cb 0.03 -1.03 0.08 0.00 -1.15 0.00 0.00 33.47 31.39 2f54 s TRP 133 CO 0.22 0.59 0.03 0.99 0.02 0.00 0.00 176.95 178.81 2f54 s THR 134 N -2.65 2.73 -0.45 2.01 2.01 -0.00 -4.88 115.64 114.40 2f54 s THR 134 Ca 0.29 -1.79 -0.21 0.00 0.31 0.00 0.00 61.69 60.29 2f54 s THR 134 Cb -0.02 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2f54 s THR 134 CO 0.13 -0.33 0.67 0.00 -0.69 0.00 0.00 174.62 174.41 2f54 s ALA 135 N 1.12 3.33 0.12 7.40 0.00 -1.26 -2.03 121.76 130.44 2f54 s ALA 135 Ca 0.00 -1.25 -0.33 0.00 0.00 0.00 0.00 51.96 50.39 2f54 s ALA 135 Cb -0.20 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 2f54 s ALA 135 CO -0.04 -1.86 1.56 0.00 0.00 0.00 0.00 175.76 175.41 2f54 h ALA 136 N 8.93 -0.85 -3.00 0.00 0.00 -0.41 -3.46 119.26 120.47 2f54 h ALA 136 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2f54 h ALA 136 Cb 1.09 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2f54 h ALA 136 CO 0.92 -1.07 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 2f54 n ASP 137 N -5.44 0.00 -0.01 0.00 5.68 -1.26 -5.04 116.55 110.47 2f54 n ASP 137 Ca -0.06 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.33 2f54 n ASP 137 Cb 0.38 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.20 2f54 n ASP 137 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2f54 n MET 138 N 0.00 0.66 -0.13 0.11 2.81 -1.26 -3.47 117.12 115.83 2f54 n MET 138 Ca 0.00 -0.18 -0.04 0.00 -1.81 0.00 0.00 57.70 55.67 2f54 n MET 138 Cb 0.00 -1.53 0.17 0.00 -0.71 0.00 0.00 33.22 31.15 2f54 n MET 138 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2f54 h ALA 139 N 1.94 1.16 -0.05 3.04 0.00 -1.97 -1.98 119.26 121.39 2f54 h ALA 139 Ca -0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2f54 h ALA 139 Cb 1.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2f54 h ALA 139 CO 0.00 0.56 -0.42 0.00 0.00 0.00 0.00 179.25 179.40 2f54 h ALA 140 N 1.29 1.21 -0.16 0.00 0.00 -1.85 -2.58 119.26 117.17 2f54 h ALA 140 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2f54 h ALA 140 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2f54 h ALA 140 CO 0.01 0.56 0.06 1.96 0.00 0.00 0.00 179.25 181.84 2f54 h GLN 141 N 0.10 0.21 -0.02 0.00 1.08 -1.39 0.87 115.11 115.96 2f54 h GLN 141 Ca 0.01 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2f54 h GLN 141 Cb 0.78 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2f54 h GLN 141 CO 0.06 0.18 -0.16 1.15 -0.95 0.00 0.00 178.83 179.11 2f54 h THR 142 N 0.21 1.52 -0.84 -0.54 2.02 -1.30 -2.14 112.91 111.85 2f54 h THR 142 Ca 0.06 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.48 2f54 h THR 142 Cb 0.04 2.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 2f54 h THR 142 CO -0.01 0.48 0.53 0.74 0.37 0.00 0.00 175.52 177.63 2f54 h THR 143 N -0.51 1.22 -0.65 3.16 2.02 -1.02 -2.39 112.91 114.74 2f54 h THR 143 Ca -0.01 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 2f54 h THR 143 Cb 0.86 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2f54 h THR 143 CO 0.03 0.22 0.22 0.50 0.37 0.00 0.00 175.52 176.87 2f54 h LYS 144 N 1.14 0.98 -0.01 6.66 3.64 0.77 -1.17 116.57 128.59 2f54 h LYS 144 Ca 0.30 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2f54 h LYS 144 Cb -0.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2f54 h LYS 144 CO -0.06 0.83 -0.04 1.25 -2.27 0.00 0.00 179.45 179.16 2f54 h HIS 145 N 0.96 0.06 -0.07 1.91 2.76 -0.92 -1.58 115.15 118.26 2f54 h HIS 145 Ca 0.22 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2f54 h HIS 145 Cb 0.25 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2f54 h HIS 145 CO 0.02 0.69 -0.16 1.57 -1.30 0.00 0.00 177.93 178.75 2f54 h LYS 146 N -0.59 0.11 -0.22 5.26 2.10 -1.38 0.35 116.57 122.20 2f54 h LYS 146 Ca -0.00 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2f54 h LYS 146 Cb 0.69 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2f54 h LYS 146 CO 0.01 0.27 -0.30 -1.49 -2.00 0.00 0.00 179.45 175.94 2f54 h TRP 147 N 0.10 0.72 0.00 0.07 4.06 -1.21 0.29 115.95 119.98 2f54 h TRP 147 Ca 0.02 -0.24 -0.11 0.00 2.06 0.00 0.00 58.89 60.62 2f54 h TRP 147 Cb 0.35 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 2f54 h TRP 147 CO 0.00 0.96 -0.52 1.05 -3.56 0.00 0.00 178.44 176.38 2f54 h GLU 148 N 0.27 0.00 -0.57 0.49 4.11 -0.90 -0.44 114.58 117.55 2f54 h GLU 148 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 2f54 h GLU 148 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2f54 h GLU 148 CO 0.07 0.52 -0.07 0.00 0.07 0.00 0.00 179.01 179.60 2f54 h ALA 149 N 1.48 0.80 -0.27 1.06 0.00 -0.17 -2.70 119.26 119.48 2f54 h ALA 149 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2f54 h ALA 149 Cb 1.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2f54 h ALA 149 CO 0.07 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2f54 n ALA 150 N -2.49 2.47 -3.66 0.00 0.00 0.08 -4.92 120.51 111.98 2f54 n ALA 150 Ca 0.02 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 2f54 n ALA 150 Cb 0.38 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.86 2f54 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2f54 n HIS 151 N 0.32 -2.24 0.09 0.00 -0.00 -0.66 -4.91 115.22 107.83 2f54 n HIS 151 Ca 0.11 0.79 -0.12 0.00 -0.00 0.00 0.00 57.72 58.50 2f54 n HIS 151 Cb 0.25 -3.99 -0.06 0.00 -0.00 0.00 0.00 29.99 26.19 2f54 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2f54 h VAL 152 N -1.87 0.70 -0.76 1.59 2.07 -1.38 -2.94 116.25 113.65 2f54 h VAL 152 Ca -0.55 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.12 2f54 h VAL 152 Cb 1.36 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 2f54 h VAL 152 CO 0.62 0.00 0.30 0.00 0.02 0.00 0.00 177.57 178.51 2f54 h ALA 153 N 0.62 1.08 0.00 1.67 0.00 -1.87 0.61 119.26 121.37 2f54 h ALA 153 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2f54 h ALA 153 Cb 0.27 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2f54 h ALA 153 CO -0.07 -0.23 -0.04 0.93 0.00 0.00 0.00 179.25 179.84 2f54 h GLU 154 N 0.43 0.00 0.06 0.00 5.08 -1.82 0.38 114.58 118.70 2f54 h GLU 154 Ca 0.42 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.56 2f54 h GLU 154 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2f54 h GLU 154 CO -0.42 0.04 -1.22 0.37 -1.00 0.00 0.00 179.01 176.79 2f54 h GLN 155 N 0.00 0.12 -0.98 2.33 5.75 -0.84 -3.23 115.11 118.26 2f54 h GLN 155 Ca -0.00 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 2f54 h GLN 155 Cb 0.13 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 2f54 h GLN 155 CO 0.01 1.10 0.64 -0.07 -2.65 0.00 0.00 178.83 177.85 2f54 h LEU 156 N -0.64 1.07 -0.81 -2.39 3.38 -1.17 -0.98 115.31 113.77 2f54 h LEU 156 Ca -0.29 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.80 2f54 h LEU 156 Cb 1.50 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 2f54 h LEU 156 CO -0.05 0.74 0.41 -0.09 0.09 0.00 0.00 178.44 179.54 2f54 h ARG 157 N 1.25 0.60 -0.14 1.13 1.12 -1.05 0.40 114.38 117.69 2f54 h ARG 157 Ca 0.38 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.20 2f54 h ARG 157 Cb -0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 2f54 h ARG 157 CO -0.11 0.40 0.03 0.00 -3.11 0.00 0.00 179.97 177.17 2f54 h ALA 158 N 1.53 0.19 0.64 2.80 0.00 -1.21 -0.71 119.26 122.48 2f54 h ALA 158 Ca 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2f54 h ALA 158 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2f54 h ALA 158 CO -0.34 -0.16 -0.33 -0.92 0.00 0.00 0.00 179.25 177.49 2f54 h TYR 159 N 0.02 -0.87 -0.66 0.00 3.20 -0.60 -0.88 116.97 117.18 2f54 h TYR 159 Ca 0.04 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2f54 h TYR 159 Cb 0.28 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2f54 h TYR 159 CO 0.01 -0.52 0.44 -0.07 -1.64 0.00 0.00 178.16 176.39 2f54 h LEU 160 N -0.89 0.43 0.00 2.82 3.38 -0.31 0.55 115.31 121.30 2f54 h LEU 160 Ca -0.09 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2f54 h LEU 160 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2f54 h LEU 160 CO 0.13 0.25 -0.41 -0.08 0.09 0.00 0.00 178.44 178.41 2f54 h GLU 161 N 0.47 0.00 0.00 1.13 4.57 -1.09 -3.39 114.58 116.26 2f54 h GLU 161 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2f54 h GLU 161 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2f54 h GLU 161 CO -0.10 0.26 0.00 0.41 -1.18 0.00 0.00 179.01 178.40 2f54 n GLY 162 N 1.19 -0.09 0.45 1.92 0.00 -0.34 -4.77 105.19 103.54 2f54 n GLY 162 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2f54 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2f54 h THR 163 N 0.00 0.06 0.00 2.61 2.02 0.02 -1.41 112.91 116.21 2f54 h THR 163 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f54 h THR 163 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2f54 h THR 163 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2f54 h VAL 165 N 0.00 1.42 -0.10 0.00 -1.51 -1.63 -2.05 116.25 112.37 2f54 h VAL 165 Ca 0.00 -2.54 -0.03 0.00 -1.23 0.00 0.00 66.70 62.91 2f54 h VAL 165 Cb 0.53 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.19 2f54 h VAL 165 CO 0.00 0.75 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.72 2f54 h GLU 166 N 0.20 0.21 -0.71 5.19 5.08 -0.84 -2.10 114.58 121.62 2f54 h GLU 166 Ca -0.09 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2f54 h GLU 166 Cb 1.63 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 2f54 h GLU 166 CO 0.17 0.54 0.35 -1.49 -1.00 0.00 0.00 179.01 177.58 2f54 h TRP 167 N -0.14 0.99 -0.51 4.33 4.06 -1.48 -1.61 115.95 121.58 2f54 h TRP 167 Ca 0.02 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2f54 h TRP 167 Cb 0.48 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 2f54 h TRP 167 CO 0.06 0.72 0.33 1.25 -3.56 0.00 0.00 178.44 177.23 2f54 h LEU 168 N 1.00 0.60 -0.41 -4.49 5.85 -1.24 -0.20 115.31 116.42 2f54 h LEU 168 Ca 0.25 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2f54 h LEU 168 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2f54 h LEU 168 CO -0.03 0.46 0.24 0.03 -0.34 0.00 0.00 178.44 178.80 2f54 h ARG 169 N 0.69 0.56 -0.78 1.25 3.08 -1.11 -0.36 114.38 117.72 2f54 h ARG 169 Ca 0.19 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.26 2f54 h ARG 169 Cb -0.04 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 2f54 h ARG 169 CO -0.04 0.43 0.45 -0.09 -1.07 0.00 0.00 179.97 179.65 2f54 h ARG 170 N 0.54 0.77 -0.26 0.04 2.43 -0.60 -0.58 114.38 116.72 2f54 h ARG 170 Ca 0.15 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.10 2f54 h ARG 170 Cb 0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2f54 h ARG 170 CO -0.03 0.51 -0.51 1.88 -1.51 0.00 0.00 179.97 180.32 2f54 h TYR 171 N 0.80 1.02 -0.55 2.20 0.05 -0.67 0.68 116.97 120.50 2f54 h TYR 171 Ca 0.36 -0.37 0.02 0.00 0.05 0.00 0.00 58.73 58.79 2f54 h TYR 171 Cb 0.26 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 2f54 h TYR 171 CO -0.06 1.18 0.33 -0.07 -1.05 0.00 0.00 178.16 178.49 2f54 h LEU 172 N 0.57 0.55 -0.21 3.88 3.38 -0.55 0.42 115.31 123.34 2f54 h LEU 172 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 2f54 h LEU 172 Cb 1.12 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2f54 h LEU 172 CO 0.11 0.38 -0.79 1.05 0.09 0.00 0.00 178.44 179.29 2f54 h GLU 173 N 0.66 0.68 0.00 1.13 4.11 -1.08 -2.90 114.58 117.18 2f54 h GLU 173 Ca 0.22 -0.57 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2f54 h GLU 173 Cb 0.01 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2f54 h GLU 173 CO -0.09 1.18 0.00 -0.91 0.07 0.00 0.00 179.01 179.26 2f54 h ASN 174 N 0.45 0.00 -1.05 3.06 -0.26 -0.51 -3.23 115.58 114.05 2f54 h ASN 174 Ca -0.05 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.17 2f54 h ASN 174 Cb 1.41 0.00 -0.42 0.00 -1.06 0.00 0.00 38.32 38.25 2f54 h ASN 174 CO 0.15 0.00 -0.85 0.61 -1.06 0.00 0.00 177.43 176.28 2f54 n GLY 175 N 0.07 5.32 0.41 2.83 0.00 0.14 -4.78 105.19 109.18 2f54 n GLY 175 Ca 0.01 -2.42 -0.15 0.00 0.00 0.00 0.00 46.02 43.47 2f54 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f54 h LYS 176 N 2.46 -0.65 -1.02 1.61 1.57 -1.54 0.75 116.57 119.75 2f54 h LYS 176 Ca 0.25 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.32 2f54 h LYS 176 Cb 1.23 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.58 2f54 h LYS 176 CO 0.71 -0.43 0.64 0.93 -0.57 0.00 0.00 179.45 180.73 2f54 h GLU 177 N -0.67 0.48 0.00 3.15 3.07 -1.89 -2.24 114.58 116.48 2f54 h GLU 177 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2f54 h GLU 177 Cb 0.69 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2f54 h GLU 177 CO -0.23 0.32 -0.15 1.15 -1.40 0.00 0.00 179.01 178.70 2f54 h THR 178 N 0.50 0.00 -0.04 1.13 2.02 -1.73 -3.39 112.91 111.39 2f54 h THR 178 Ca 0.61 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2f54 h THR 178 Cb 1.34 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2f54 h THR 178 CO -0.37 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.39 2f54 h LEU 179 N -0.54 0.13 0.00 2.58 3.38 0.54 -3.12 115.31 118.27 2f54 h LEU 179 Ca 0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2f54 h LEU 179 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2f54 h LEU 179 CO 0.00 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.16 2f54 n GLN 180 N -4.73 0.24 -1.93 1.13 3.00 -0.85 -4.84 117.38 109.40 2f54 n GLN 180 Ca -0.08 0.13 -0.39 0.00 -0.01 0.00 0.00 57.00 56.65 2f54 n GLN 180 Cb 0.31 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.06 2f54 n GLN 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2f54 s ARG 181 N -2.48 3.75 -0.18 -1.09 3.52 -1.18 -5.04 118.95 116.24 2f54 s ARG 181 Ca 0.15 2.26 -0.01 0.00 -0.13 0.00 0.00 55.73 57.99 2f54 s ARG 181 Cb 0.10 -2.64 0.05 0.00 -1.56 0.00 0.00 34.95 30.89 2f54 s ARG 181 CO 0.21 -0.71 -0.03 -0.08 -0.81 0.00 0.00 175.30 173.88 2f54 s THR 182 N -1.26 1.00 -0.39 4.11 -1.32 -1.26 -4.66 115.64 111.86 2f54 s THR 182 Ca 0.60 -0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 60.32 2f54 s THR 182 Cb -0.40 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.38 2f54 s THR 182 CO 0.51 -0.00 0.21 -1.81 -2.21 0.00 0.00 174.62 171.32 2f54 s ASP 183 N 1.66 5.48 0.45 8.08 1.11 0.76 -4.93 116.67 129.28 2f54 s ASP 183 Ca -0.01 -1.48 -0.22 0.00 0.18 0.00 0.00 52.55 51.01 2f54 s ASP 183 Cb -0.16 -1.93 -0.08 0.00 1.07 0.00 0.00 42.92 41.82 2f54 s ASP 183 CO -0.07 -0.48 1.10 0.00 1.18 0.00 0.00 175.17 176.89 2f54 s ALA 184 N 1.37 2.96 0.25 5.23 0.00 -1.26 -0.99 121.76 129.32 2f54 s ALA 184 Ca 0.02 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 2f54 s ALA 184 Cb -0.22 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2f54 s ALA 184 CO 0.01 -0.45 1.12 -1.25 0.00 0.00 0.00 175.76 175.19 2f54 s PRO 185 N -2.79 4.61 0.05 0.00 0.04 -1.26 -4.69 135.00 130.95 2f54 s PRO 185 Ca 0.63 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 2f54 s PRO 185 Cb -0.23 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 2f54 s PRO 185 CO 0.28 0.14 1.28 0.15 0.04 0.00 0.00 177.00 178.90 2f54 s LYS 186 N -1.13 4.37 0.04 4.56 3.01 0.13 -4.76 119.74 125.95 2f54 s LYS 186 Ca 0.46 1.88 0.09 0.00 -1.01 0.00 0.00 55.97 57.39 2f54 s LYS 186 Cb -0.32 -3.38 -0.03 0.00 -1.01 0.00 0.00 37.83 33.10 2f54 s LYS 186 CO 0.40 -0.38 -0.26 0.99 0.51 0.00 0.00 175.35 176.61 2f54 s THR 187 N 1.40 2.12 0.13 2.17 2.01 -1.26 -0.66 115.64 121.54 2f54 s THR 187 Ca 0.61 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 2f54 s THR 187 Cb -0.31 -1.80 0.08 0.00 0.01 0.00 0.00 72.50 70.47 2f54 s THR 187 CO 0.28 0.39 1.04 -1.38 -0.69 0.00 0.00 174.62 174.27 2f54 s HIS 188 N -0.78 -0.06 0.00 4.92 -3.43 -0.99 -5.02 115.29 109.94 2f54 s HIS 188 Ca 0.11 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 2f54 s HIS 188 Cb -0.10 0.64 -0.00 0.00 -1.43 0.00 0.00 32.58 31.68 2f54 s HIS 188 CO 0.02 -0.74 -0.02 1.41 -2.00 0.00 0.00 174.74 173.41 2f54 s MET 189 N -2.84 0.13 0.20 -0.38 1.75 -1.26 -0.38 119.30 116.52 2f54 s MET 189 Ca 0.15 -0.16 0.08 0.00 -1.25 0.00 0.00 55.69 54.52 2f54 s MET 189 Cb -0.01 -0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 2f54 s MET 189 CO 0.02 0.01 -0.04 0.99 -0.65 0.00 0.00 175.02 175.35 2f54 s THR 190 N -0.32 3.45 -0.01 10.11 2.01 0.11 -4.93 115.64 126.06 2f54 s THR 190 Ca -0.03 -1.65 0.04 0.00 0.31 0.00 0.00 61.69 60.36 2f54 s THR 190 Cb -0.02 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 2f54 s THR 190 CO -0.00 -0.18 -0.13 -2.28 -0.69 0.00 0.00 174.62 171.34 2f54 s HIS 191 N -1.88 1.16 -0.22 4.92 2.46 -1.26 -0.78 115.29 119.69 2f54 s HIS 191 Ca 0.28 -0.23 -0.04 0.00 0.47 0.00 0.00 55.06 55.53 2f54 s HIS 191 Cb -0.08 -0.76 0.12 0.00 -0.13 0.00 0.00 32.58 31.73 2f54 s HIS 191 CO 0.18 -0.03 0.40 -1.01 -2.47 0.00 0.00 174.74 171.80 2f54 s HIS 192 N -0.25 -0.83 0.13 3.88 3.76 -0.18 -4.96 115.29 116.83 2f54 s HIS 192 Ca 0.04 1.15 -0.32 0.00 -0.15 0.00 0.00 55.06 55.79 2f54 s HIS 192 Cb -0.05 0.15 -0.11 0.00 1.11 0.00 0.00 32.58 33.68 2f54 s HIS 192 CO -0.00 -0.61 1.82 0.00 -0.85 0.00 0.00 174.74 175.09 2f54 n ALA 193 N 5.38 2.16 -3.82 -1.40 0.00 -1.26 0.44 120.51 122.01 2f54 n ALA 193 Ca -0.06 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2f54 n ALA 193 Cb 0.50 -2.57 -0.13 0.00 0.00 0.00 0.00 19.45 17.25 2f54 n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f54 s VAL 194 N 2.53 2.18 0.00 0.00 0.11 0.70 -4.84 120.40 121.08 2f54 s VAL 194 Ca 0.82 -3.40 0.00 0.00 -2.93 0.00 0.00 61.98 56.47 2f54 s VAL 194 Cb -0.50 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 2f54 s VAL 194 CO 0.37 -0.94 0.00 -0.24 -3.33 0.00 0.00 175.10 170.97 2f54 n SER 195 N 2.79 0.00 -3.65 3.54 2.88 -1.26 -4.11 113.62 113.82 2f54 n SER 195 Ca 0.13 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.66 2f54 n SER 195 Cb 0.35 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2f54 n SER 195 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2f54 n ASP 196 N 4.55 -0.31 -3.85 -3.46 5.75 -1.26 -3.53 116.55 114.43 2f54 n ASP 196 Ca 0.00 -0.64 -0.25 0.00 -0.01 0.00 0.00 54.79 53.89 2f54 n ASP 196 Cb 0.00 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.06 2f54 n ASP 196 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2f54 n HIS 197 N 3.18 -1.89 -3.97 2.11 -0.00 -1.26 -4.96 115.22 108.43 2f54 n HIS 197 Ca 0.01 0.82 -0.09 0.00 -0.00 0.00 0.00 57.72 58.47 2f54 n HIS 197 Cb 0.10 -4.02 -0.10 0.00 -0.00 0.00 0.00 29.99 25.97 2f54 n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2f54 s GLU 198 N -6.34 0.48 0.05 1.57 2.02 -1.23 -2.19 118.70 113.06 2f54 s GLU 198 Ca 0.18 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2f54 s GLU 198 Cb -0.09 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 2f54 s GLU 198 CO 0.85 -0.10 -0.11 0.00 0.02 0.00 0.00 175.26 175.91 2f54 s ALA 199 N -2.24 0.90 0.03 5.21 0.00 0.50 0.25 121.76 126.41 2f54 s ALA 199 Ca -0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 2f54 s ALA 199 Cb -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 2f54 s ALA 199 CO -0.03 0.09 0.48 0.99 0.00 0.00 0.00 175.76 177.29 2f54 s THR 200 N -1.21 4.90 -0.14 0.00 2.01 0.17 -0.55 115.64 120.82 2f54 s THR 200 Ca -0.05 1.01 0.02 0.00 0.31 0.00 0.00 61.69 62.99 2f54 s THR 200 Cb -0.09 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2f54 s THR 200 CO 0.01 0.57 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.54 2f54 s LEU 201 N -1.07 2.06 -0.11 4.42 1.43 0.16 -1.02 118.68 124.55 2f54 s LEU 201 Ca 0.26 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2f54 s LEU 201 Cb -0.18 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2f54 s LEU 201 CO 0.16 0.06 -0.21 -0.60 0.23 0.00 0.00 176.35 175.98 2f54 s ARG 202 N 0.91 2.84 -0.31 1.70 3.52 0.04 -0.38 118.95 127.27 2f54 s ARG 202 Ca -0.05 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.63 2f54 s ARG 202 Cb -0.15 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2f54 s ARG 202 CO -0.04 0.08 0.23 0.00 -0.81 0.00 0.00 175.30 174.76 2f54 s TRP 204 N 1.77 2.92 -0.12 0.00 0.52 0.49 -1.64 118.94 122.88 2f54 s TRP 204 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.19 2f54 s TRP 204 Cb -0.17 -1.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 2f54 s TRP 204 CO 0.11 0.38 -0.11 0.00 0.02 0.00 0.00 176.95 177.34 2f54 s ALA 205 N -0.97 1.56 0.13 0.98 0.00 -0.34 -2.36 121.76 120.77 2f54 s ALA 205 Ca 0.16 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2f54 s ALA 205 Cb -0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2f54 s ALA 205 CO 0.07 -0.32 -0.14 -0.51 0.00 0.00 0.00 175.76 174.85 2f54 s LEU 206 N 1.46 2.42 -1.41 0.00 1.43 0.16 -1.81 118.68 120.94 2f54 s LEU 206 Ca 0.02 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 2f54 s LEU 206 Cb -0.13 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.53 2f54 s LEU 206 CO -0.07 -0.14 0.19 -1.54 0.23 0.00 0.00 176.35 175.02 2f54 n SER 207 N 0.42 -0.52 -4.73 2.29 3.41 -0.71 -0.70 113.62 113.08 2f54 n SER 207 Ca -0.15 -1.25 -0.24 0.00 -0.26 0.00 0.00 58.87 56.97 2f54 n SER 207 Cb 0.57 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 2f54 n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2f54 s PHE 208 N -4.12 2.94 -0.21 7.33 -0.12 -1.14 -4.69 117.98 117.99 2f54 s PHE 208 Ca 0.14 -0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 56.74 2f54 s PHE 208 Cb -0.08 -1.36 0.06 0.00 -0.63 0.00 0.00 43.02 41.01 2f54 s PHE 208 CO 0.96 0.55 0.52 -0.47 -0.05 0.00 0.00 175.22 176.73 2f54 s TYR 209 N -2.02 -0.68 0.96 3.49 5.04 -0.17 -1.32 117.35 122.65 2f54 s TYR 209 Ca 0.31 1.52 -0.16 0.00 -2.44 0.00 0.00 57.07 56.30 2f54 s TYR 209 Cb -0.08 0.31 0.24 0.00 0.35 0.00 0.00 41.96 42.77 2f54 s TYR 209 CO 0.22 -0.35 0.95 -0.35 -1.34 0.00 0.00 175.55 174.68 2f54 n PRO 210 N 3.55 -2.35 0.21 4.97 -0.04 -1.26 -0.17 135.00 139.90 2f54 n PRO 210 Ca -0.18 -1.51 0.15 0.00 -0.04 0.00 0.00 63.50 61.92 2f54 n PRO 210 Cb 0.56 -1.30 0.62 0.00 -0.04 0.00 0.00 33.50 33.35 2f54 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f54 h ALA 211 N -2.42 1.00 -2.63 0.55 0.00 -1.95 -3.45 119.26 110.37 2f54 h ALA 211 Ca -0.34 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.04 2f54 h ALA 211 Cb 1.02 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.86 2f54 h ALA 211 CO 0.23 0.00 0.94 -2.00 0.00 0.00 0.00 179.25 178.42 2f54 s GLU 212 N -3.52 4.18 -0.26 0.00 2.56 -1.26 -4.97 118.70 115.43 2f54 s GLU 212 Ca 0.02 2.47 -0.26 0.00 0.00 0.00 0.00 54.97 57.19 2f54 s GLU 212 Cb 0.09 -3.12 0.13 0.00 2.00 0.00 0.00 34.13 33.23 2f54 s GLU 212 CO 0.45 -0.67 1.08 -1.50 -0.56 0.00 0.00 175.26 174.06 2f54 s ILE 213 N 1.16 0.00 -0.25 -3.70 2.07 -1.26 -4.64 121.20 114.57 2f54 s ILE 213 Ca 0.72 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.98 2f54 s ILE 213 Cb -0.46 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.19 2f54 s ILE 213 CO 0.31 0.00 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.40 2f54 s THR 214 N -0.12 1.75 -0.22 4.00 2.01 -0.53 -4.98 115.64 117.55 2f54 s THR 214 Ca 0.03 -1.44 -0.10 0.00 0.31 0.00 0.00 61.69 60.49 2f54 s THR 214 Cb -0.04 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 2f54 s THR 214 CO -0.06 -0.14 0.14 -0.76 -0.69 0.00 0.00 174.62 173.11 2f54 s LEU 215 N 1.28 4.11 0.01 4.42 1.43 -1.26 -1.62 118.68 127.05 2f54 s LEU 215 Ca -0.05 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2f54 s LEU 215 Cb -0.19 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2f54 s LEU 215 CO -0.07 0.11 -0.05 -0.89 0.23 0.00 0.00 176.35 175.68 2f54 s THR 216 N 0.79 0.38 -0.02 5.49 2.01 -0.17 -4.93 115.64 119.19 2f54 s THR 216 Ca 0.07 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2f54 s THR 216 Cb -0.13 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 2f54 s THR 216 CO 0.02 -0.11 -0.03 0.26 -0.69 0.00 0.00 174.62 174.07 2f54 s TRP 217 N -0.63 3.01 -0.01 4.92 0.52 -1.26 0.21 118.94 125.70 2f54 s TRP 217 Ca -0.04 0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.15 2f54 s TRP 217 Cb -0.05 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2f54 s TRP 217 CO -0.00 0.42 -0.06 -0.65 0.02 0.00 0.00 176.95 176.68 2f54 s GLN 218 N -1.33 0.55 -0.34 4.98 -0.21 0.23 -1.04 119.66 122.51 2f54 s GLN 218 Ca 0.17 -0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.33 2f54 s GLN 218 Cb -0.11 -0.55 0.07 0.00 1.00 0.00 0.00 33.01 33.42 2f54 s GLN 218 CO 0.07 0.10 0.07 0.50 -2.12 0.00 0.00 175.29 173.91 2f54 s ARG 219 N 0.04 2.23 -1.11 2.91 3.52 -0.67 0.49 118.95 126.35 2f54 s ARG 219 Ca -0.00 -1.49 -0.02 0.00 -0.13 0.00 0.00 55.73 54.09 2f54 s ARG 219 Cb -0.05 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2f54 s ARG 219 CO -0.00 -0.79 0.32 -0.25 -0.81 0.00 0.00 175.30 173.77 2f54 n ASP 220 N 4.59 -4.63 0.00 -2.12 10.43 -0.29 -3.08 116.55 121.46 2f54 n ASP 220 Ca -0.08 -0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.12 2f54 n ASP 220 Cb 0.43 -3.56 0.00 0.00 1.84 0.00 0.00 41.12 39.82 2f54 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f54 n GLY 221 N -1.22 1.23 3.46 0.44 0.00 -1.26 -5.04 105.19 102.80 2f54 n GLY 221 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2f54 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f54 s GLU 222 N -0.66 3.68 1.00 1.61 2.12 -1.18 -5.01 118.70 120.27 2f54 s GLU 222 Ca 0.00 -0.47 -0.15 0.00 0.36 0.00 0.00 54.97 54.71 2f54 s GLU 222 Cb 0.00 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 31.05 2f54 s GLU 222 CO 0.00 -0.19 0.11 -0.40 -0.54 0.00 0.00 175.26 174.23 2f54 n ASP 223 N 4.94 -2.58 -3.74 -1.70 5.75 -1.26 -1.67 116.55 116.29 2f54 n ASP 223 Ca -0.16 0.18 -0.29 0.00 -0.01 0.00 0.00 54.79 54.51 2f54 n ASP 223 Cb 0.51 -1.07 -0.15 0.00 -1.03 0.00 0.00 41.12 39.38 2f54 n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2f54 s GLN 224 N -3.37 0.74 0.40 0.11 0.74 -0.20 -4.76 119.66 113.32 2f54 s GLN 224 Ca 0.54 -0.87 0.16 0.00 0.05 0.00 0.00 55.36 55.24 2f54 s GLN 224 Cb -0.17 -2.03 0.83 0.00 1.10 0.00 0.00 33.01 32.75 2f54 s GLN 224 CO 0.69 -0.87 1.86 1.15 -0.55 0.00 0.00 175.29 177.56 2f54 h THR 225 N 6.51 1.11 0.00 -0.34 2.02 -1.94 -3.36 112.91 116.90 2f54 h THR 225 Ca -0.15 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2f54 h THR 225 Cb 1.05 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2f54 h THR 225 CO 0.43 0.32 0.00 1.67 0.37 0.00 0.00 175.52 178.31 2f54 n GLN 226 N -3.96 0.00 -2.62 6.66 -0.06 -1.26 -3.62 117.38 112.51 2f54 n GLN 226 Ca -0.02 0.15 -0.43 0.00 -2.00 0.00 0.00 57.00 54.70 2f54 n GLN 226 Cb 0.39 -0.71 0.01 0.00 -4.06 0.00 0.00 30.24 25.86 2f54 n GLN 226 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2f54 n ASP 227 N -0.36 5.50 -3.44 1.69 9.92 -1.26 -4.79 116.55 123.82 2f54 n ASP 227 Ca 0.00 -3.18 -0.40 0.00 -0.53 0.00 0.00 54.79 50.68 2f54 n ASP 227 Cb 0.00 -1.42 0.01 0.00 -0.64 0.00 0.00 41.12 39.07 2f54 n ASP 227 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2f54 n THR 228 N 2.86 5.42 -2.42 -3.53 -1.04 -1.24 -4.48 114.28 109.85 2f54 n THR 228 Ca 0.35 -5.16 -0.38 0.00 -2.04 0.00 0.00 64.05 56.82 2f54 n THR 228 Cb 0.36 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2f54 n THR 228 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2f54 s GLU 229 N -3.32 3.44 -0.18 -2.82 2.56 -1.23 -4.92 118.70 112.24 2f54 s GLU 229 Ca 0.46 -1.39 -0.04 0.00 0.00 0.00 0.00 54.97 53.99 2f54 s GLU 229 Cb 0.23 -5.38 -0.03 0.00 2.00 0.00 0.00 34.13 30.96 2f54 s GLU 229 CO -0.16 -2.67 -0.02 -0.51 -0.56 0.00 0.00 175.26 171.34 2f54 s LEU 230 N 6.32 3.26 0.37 2.70 1.02 -1.26 -1.99 118.68 129.10 2f54 s LEU 230 Ca 0.56 -0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.52 2f54 s LEU 230 Cb 0.01 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 2f54 s LEU 230 CO 0.02 0.12 0.63 0.68 0.02 0.00 0.00 176.35 177.82 2f54 s VAL 231 N 0.67 5.01 0.60 -1.59 -7.23 -1.15 -5.04 120.40 111.67 2f54 s VAL 231 Ca -0.01 -0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.90 2f54 s VAL 231 Cb -0.14 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 2f54 s VAL 231 CO 0.02 -0.57 1.19 -1.61 -0.31 0.00 0.00 175.10 173.81 2f54 s GLU 232 N -4.19 2.97 0.13 4.82 2.02 -1.26 -4.67 118.70 118.52 2f54 s GLU 232 Ca 0.44 1.75 -0.31 0.00 0.02 0.00 0.00 54.97 56.86 2f54 s GLU 232 Cb -0.10 -1.94 -0.09 0.00 0.10 0.00 0.00 34.13 32.10 2f54 s GLU 232 CO 0.37 -1.19 1.62 0.99 0.02 0.00 0.00 175.26 177.06 2f54 s THR 233 N -1.72 2.74 0.10 3.63 2.01 -1.26 -4.79 115.64 116.35 2f54 s THR 233 Ca 0.75 0.42 0.08 0.00 0.31 0.00 0.00 61.69 63.26 2f54 s THR 233 Cb -0.28 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2f54 s THR 233 CO 0.33 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 174.07 2f54 s ARG 234 N 1.78 1.21 0.34 4.92 1.70 -0.54 -4.95 118.95 123.41 2f54 s ARG 234 Ca 0.72 -1.15 -0.28 0.00 -0.47 0.00 0.00 55.73 54.55 2f54 s ARG 234 Cb -0.43 -1.48 -0.10 0.00 -0.57 0.00 0.00 34.95 32.38 2f54 s ARG 234 CO 0.32 0.35 1.25 -1.25 -1.08 0.00 0.00 175.30 174.89 2f54 s PRO 235 N -1.81 4.32 0.23 3.89 0.04 -1.26 -1.08 135.00 139.33 2f54 s PRO 235 Ca 0.08 2.09 0.15 0.00 0.04 0.00 0.00 61.00 63.36 2f54 s PRO 235 Cb -0.10 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.44 2f54 s PRO 235 CO 0.04 -0.17 1.31 0.00 0.04 0.00 0.00 177.00 178.21 2f54 h ALA 236 N 3.28 0.65 0.00 8.56 0.00 -1.58 -3.45 119.26 126.71 2f54 h ALA 236 Ca -0.49 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2f54 h ALA 236 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2f54 h ALA 236 CO 0.65 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.02 2f54 n GLY 237 N 1.27 0.96 1.61 0.00 0.00 -1.26 -4.95 105.19 102.81 2f54 n GLY 237 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2f54 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f54 n ASP 238 N 0.00 4.06 0.00 1.61 5.68 -1.26 -4.93 116.55 121.70 2f54 n ASP 238 Ca 0.00 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.50 2f54 n ASP 238 Cb 0.00 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 2f54 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f54 n GLY 239 N -0.95 2.87 3.95 6.12 0.00 -1.26 -5.01 105.19 110.91 2f54 n GLY 239 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2f54 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f54 s THR 240 N -1.54 2.00 0.32 2.61 -4.23 -1.26 -4.90 115.64 108.64 2f54 s THR 240 Ca 0.00 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2f54 s THR 240 Cb 0.00 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2f54 s THR 240 CO 0.00 0.00 0.12 -0.36 -0.54 0.00 0.00 174.62 173.84 2f54 s PHE 241 N -3.85 1.70 0.02 3.99 0.40 -0.44 -1.56 117.98 118.24 2f54 s PHE 241 Ca 0.75 -1.22 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 2f54 s PHE 241 Cb -0.03 -1.02 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 2f54 s PHE 241 CO 0.53 -0.32 0.14 -0.65 0.70 0.00 0.00 175.22 175.61 2f54 s GLN 242 N -3.87 0.54 -0.11 0.44 -0.21 -0.24 -1.74 119.66 114.47 2f54 s GLN 242 Ca 0.34 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 2f54 s GLN 242 Cb 0.06 0.22 0.08 0.00 1.00 0.00 0.00 33.01 34.37 2f54 s GLN 242 CO 0.15 -0.13 0.75 0.21 -2.12 0.00 0.00 175.29 174.15 2f54 s LYS 243 N -1.82 0.94 -0.05 2.91 2.20 -0.75 -1.46 119.74 121.70 2f54 s LYS 243 Ca -0.11 0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.74 2f54 s LYS 243 Cb -0.05 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 2f54 s LYS 243 CO -0.00 -0.27 0.28 1.67 -0.36 0.00 0.00 175.35 176.67 2f54 s TRP 244 N -0.90 -0.20 -0.01 4.03 1.48 -1.26 -1.20 118.94 120.88 2f54 s TRP 244 Ca -0.07 0.42 0.07 0.00 -1.06 0.00 0.00 56.10 55.45 2f54 s TRP 244 Cb -0.01 0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.36 2f54 s TRP 244 CO 0.07 -0.28 -0.21 0.00 -4.06 0.00 0.00 176.95 172.47 2f54 s ALA 245 N -0.72 1.76 0.12 2.67 0.00 -0.65 -2.92 121.76 122.03 2f54 s ALA 245 Ca -0.08 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2f54 s ALA 245 Cb -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2f54 s ALA 245 CO 0.02 0.43 -0.09 0.00 0.00 0.00 0.00 175.76 176.11 2f54 s ALA 246 N -0.55 1.27 -0.00 0.00 0.00 -0.84 0.34 121.76 121.97 2f54 s ALA 246 Ca 0.08 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 2f54 s ALA 246 Cb -0.08 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2f54 s ALA 246 CO -0.00 -0.11 0.10 0.14 0.00 0.00 0.00 175.76 175.89 2f54 s VAL 247 N -3.17 0.07 -0.16 0.00 -7.23 0.48 -3.49 120.40 106.90 2f54 s VAL 247 Ca 0.13 -0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 2f54 s VAL 247 Cb 0.02 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 2f54 s VAL 247 CO -0.01 -0.32 -0.03 0.68 -0.31 0.00 0.00 175.10 175.12 2f54 s VAL 248 N -1.07 3.92 0.12 1.32 -7.23 -1.26 0.35 120.40 116.55 2f54 s VAL 248 Ca -0.12 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.75 2f54 s VAL 248 Cb -0.07 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2f54 s VAL 248 CO 0.01 0.48 -0.10 0.68 -0.31 0.00 0.00 175.10 175.86 2f54 s VAL 249 N 0.46 1.03 0.00 1.32 -7.23 0.29 -4.94 120.40 111.33 2f54 s VAL 249 Ca -0.03 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2f54 s VAL 249 Cb -0.14 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.08 2f54 s VAL 249 CO 0.03 -0.69 1.58 -2.84 -0.31 0.00 0.00 175.10 172.87 2f54 s PRO 250 N -3.41 4.21 -0.15 4.82 0.02 -1.26 -0.37 135.00 138.86 2f54 s PRO 250 Ca 0.12 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 63.00 2f54 s PRO 250 Cb 0.01 -3.74 -0.08 0.00 0.02 0.00 0.00 34.50 30.70 2f54 s PRO 250 CO -0.00 -0.74 2.09 -1.13 -0.33 0.00 0.00 177.00 176.89 2f54 n SER 251 N 6.15 3.37 0.00 2.53 3.41 -0.93 -1.28 113.62 126.87 2f54 n SER 251 Ca 0.16 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2f54 n SER 251 Cb 0.42 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2f54 n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f54 n GLY 252 N 5.29 0.78 2.75 5.00 0.00 -1.26 -4.96 105.19 112.80 2f54 n GLY 252 Ca 0.28 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2f54 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f54 n GLN 253 N 0.00 3.63 -0.02 1.61 6.02 -0.40 -4.67 117.38 123.54 2f54 n GLN 253 Ca 0.00 -4.21 0.09 0.00 -0.01 0.00 0.00 57.00 52.86 2f54 n GLN 253 Cb 0.00 -2.31 -0.17 0.00 1.02 0.00 0.00 30.24 28.78 2f54 n GLN 253 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2f54 n GLU 254 N -0.37 0.66 -0.16 -1.09 1.02 -1.26 -4.09 120.64 115.35 2f54 n GLU 254 Ca 0.46 -0.18 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 2f54 n GLU 254 Cb 0.36 -1.51 0.17 0.00 -0.02 0.00 0.00 31.44 30.44 2f54 n GLU 254 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2f54 n GLN 255 N -2.31 1.76 0.00 3.49 6.02 -1.26 -3.23 117.38 121.86 2f54 n GLN 255 Ca -0.07 -1.18 0.14 0.00 -0.01 0.00 0.00 57.00 55.88 2f54 n GLN 255 Cb 0.63 -1.27 0.43 0.00 1.02 0.00 0.00 30.24 31.05 2f54 n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2f54 n ARG 256 N 0.45 1.69 -4.70 -1.09 5.12 -1.26 -4.89 116.66 111.98 2f54 n ARG 256 Ca 0.12 -1.08 -0.32 0.00 -1.93 0.00 0.00 57.85 54.64 2f54 n ARG 256 Cb 0.28 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 29.98 2f54 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2f54 s TYR 257 N -2.05 2.70 -0.03 -1.55 1.51 -1.20 -1.14 117.35 115.59 2f54 s TYR 257 Ca 0.35 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 2f54 s TYR 257 Cb 0.21 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 2f54 s TYR 257 CO 0.35 0.26 -0.03 0.99 -1.11 0.00 0.00 175.55 176.01 2f54 s THR 258 N -0.87 0.34 0.00 -0.71 2.01 0.18 -4.66 115.64 111.94 2f54 s THR 258 Ca 0.14 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2f54 s THR 258 Cb -0.11 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2f54 s THR 258 CO 0.04 0.16 0.32 0.00 -0.69 0.00 0.00 174.62 174.45 2f54 s HIS 260 N -1.22 1.92 -0.21 0.00 3.76 0.57 -1.38 115.29 118.73 2f54 s HIS 260 Ca 0.26 -1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 53.77 2f54 s HIS 260 Cb -0.14 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 2f54 s HIS 260 CO 0.14 -0.67 0.11 0.08 -0.85 0.00 0.00 174.74 173.54 2f54 s VAL 261 N 1.56 5.01 -0.09 -0.90 1.01 -0.96 -1.00 120.40 125.02 2f54 s VAL 261 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2f54 s VAL 261 Cb -0.16 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2f54 s VAL 261 CO -0.07 0.40 -0.16 -1.10 0.00 0.00 0.00 175.10 174.17 2f54 s GLN 262 N 0.79 2.17 0.01 2.72 -0.21 -0.64 -2.18 119.66 122.33 2f54 s GLN 262 Ca 0.06 -0.56 -0.26 0.00 0.02 0.00 0.00 55.36 54.61 2f54 s GLN 262 Cb -0.13 -1.78 0.06 0.00 1.00 0.00 0.00 33.01 32.16 2f54 s GLN 262 CO 0.02 0.01 0.59 -1.58 -2.12 0.00 0.00 175.29 172.21 2f54 s HIS 263 N 0.76 -0.53 0.60 0.91 2.46 -1.26 -1.45 115.29 116.77 2f54 s HIS 263 Ca -0.12 0.74 0.31 0.00 0.47 0.00 0.00 55.06 56.46 2f54 s HIS 263 Cb -0.16 0.39 1.82 0.00 -0.13 0.00 0.00 32.58 34.50 2f54 s HIS 263 CO 0.02 -0.64 2.20 0.93 -2.47 0.00 0.00 174.74 174.78 2f54 h GLU 264 N 2.84 0.00 0.28 2.88 3.07 -1.94 -3.21 114.58 118.50 2f54 h GLU 264 Ca -0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2f54 h GLU 264 Cb 1.19 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2f54 h GLU 264 CO 0.40 0.00 -0.20 0.78 -1.40 0.00 0.00 179.01 178.58 2f54 h GLY 265 N 0.00 -0.79 -4.51 -3.84 0.00 -1.87 -3.43 103.07 88.63 2f54 h GLY 265 Ca 0.03 0.34 -0.56 0.00 0.00 0.00 0.00 47.33 47.14 2f54 h GLY 265 CO -0.00 -0.27 0.03 -2.27 0.00 0.00 0.00 176.54 174.03 2f54 s LEU 266 N -6.61 4.54 0.00 3.11 1.98 -1.21 -4.72 118.68 115.77 2f54 s LEU 266 Ca -0.07 1.37 0.00 0.00 -2.89 0.00 0.00 54.13 52.53 2f54 s LEU 266 Cb 0.01 -3.02 0.00 0.00 0.66 0.00 0.00 46.19 43.85 2f54 s LEU 266 CO 0.24 0.24 0.48 -0.81 -1.89 0.00 0.00 176.35 174.61 2f54 n PRO 267 N 1.78 0.68 -3.65 0.98 -0.04 -1.26 -4.66 135.00 128.83 2f54 n PRO 267 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2f54 n PRO 267 Cb 0.50 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 2f54 n PRO 267 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2f54 s LYS 268 N -0.45 0.01 0.16 0.54 2.20 -1.26 -5.14 119.74 115.79 2f54 s LYS 268 Ca 0.00 0.01 -0.34 0.00 -0.36 0.00 0.00 55.97 55.28 2f54 s LYS 268 Cb 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 37.83 36.18 2f54 s LYS 268 CO 0.00 -0.00 1.51 -2.30 -0.36 0.00 0.00 175.35 174.20 2f54 n PRO 269 N 2.79 1.94 -2.91 4.03 -0.02 -1.26 -4.96 135.00 134.60 2f54 n PRO 269 Ca -0.16 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 2f54 n PRO 269 Cb 0.56 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 2f54 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2f54 s LEU 270 N 0.74 3.90 -0.05 2.45 2.01 -0.93 -4.94 118.68 121.85 2f54 s LEU 270 Ca 0.78 1.25 0.00 0.00 0.01 0.00 0.00 54.13 56.18 2f54 s LEU 270 Cb -0.73 -4.11 0.02 0.00 0.01 0.00 0.00 46.19 41.39 2f54 s LEU 270 CO 0.41 -0.35 -0.03 0.42 1.01 0.00 0.00 176.35 177.81 2f54 s THR 271 N -2.25 0.47 0.16 5.49 -4.23 -1.26 -2.28 115.64 111.74 2f54 s THR 271 Ca 0.53 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.06 2f54 s THR 271 Cb -0.10 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 2f54 s THR 271 CO 0.26 0.23 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.78 2f54 s LEU 272 N 1.16 3.27 0.02 4.79 1.43 -0.48 -4.95 118.68 123.93 2f54 s LEU 272 Ca -0.07 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2f54 s LEU 272 Cb -0.14 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2f54 s LEU 272 CO -0.01 0.11 -0.00 -0.13 0.23 0.00 0.00 176.35 176.54 2f54 s ARG 273 N -2.78 0.36 0.00 1.70 0.52 -1.26 -2.22 118.95 115.27 2f54 s ARG 273 Ca 0.26 -0.63 0.22 0.00 -0.52 0.00 0.00 55.73 55.07 2f54 s ARG 273 Cb -0.10 0.13 1.33 0.00 0.52 0.00 0.00 34.95 36.84 2f54 s ARG 273 CO 0.18 -0.07 1.71 1.87 0.02 0.00 0.00 175.30 179.01