#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i54 h TYR -4 N 0.00 0.00 -0.34 1.96 0.99 -2.05 -3.01 116.97 114.52 3i54 h TYR -4 Ca 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 3i54 h TYR -4 Cb 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 3i54 h TYR -4 CO 0.00 0.39 -0.25 0.35 -0.00 0.00 0.00 178.16 178.65 3i54 h PHE -3 N 0.00 0.91 -0.85 4.88 3.57 -2.05 -2.89 116.94 120.51 3i54 h PHE -3 Ca -0.00 -0.25 0.15 0.00 3.53 0.00 0.00 57.97 61.40 3i54 h PHE -3 Cb 0.78 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.22 3i54 h PHE -3 CO 0.00 1.01 0.42 1.96 -2.23 0.00 0.00 178.31 179.47 3i54 h GLN -2 N 0.55 0.57 0.01 1.11 7.50 -1.99 0.18 115.11 123.04 3i54 h GLN -2 Ca 0.06 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.18 3i54 h GLN -2 Cb 0.82 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.22 3i54 h GLN -2 CO 0.07 0.38 -0.00 1.03 -1.50 0.00 0.00 178.83 178.80 3i54 h SER -1 N 0.59 -0.01 0.00 1.46 0.87 -1.42 0.16 113.55 115.20 3i54 h SER -1 Ca 0.47 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3i54 h SER -1 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3i54 h SER -1 CO -0.38 0.73 0.00 1.57 -0.53 0.00 0.00 176.83 178.22 3i54 n HIS 0 N -4.74 0.00 -0.14 2.24 -0.00 -1.10 0.24 115.22 111.71 3i54 n HIS 0 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.60 3i54 n HIS 0 Cb 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.39 3i54 n HIS 0 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 3i54 h MET 1 N 0.00 0.05 -0.74 1.57 4.05 -0.40 -0.48 114.93 118.99 3i54 h MET 1 Ca 0.00 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3i54 h MET 1 Cb 0.00 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 3i54 h MET 1 CO 0.00 0.04 0.48 -0.44 0.23 0.00 0.00 176.91 177.21 3i54 h ASP 2 N 0.06 0.80 0.04 1.39 3.32 -0.35 -0.67 116.42 121.01 3i54 h ASP 2 Ca 0.23 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3i54 h ASP 2 Cb 0.34 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3i54 h ASP 2 CO -0.43 0.56 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.52 3i54 h GLU 3 N 0.95 -0.12 -0.14 3.56 4.81 0.16 0.12 114.58 123.91 3i54 h GLU 3 Ca 0.29 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3i54 h GLU 3 Cb -0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3i54 h GLU 3 CO -0.09 -0.08 -0.17 0.82 -0.73 0.00 0.00 179.01 178.75 3i54 h ILE 4 N -0.13 1.20 0.12 2.32 1.08 -0.57 -2.90 117.51 118.62 3i54 h ILE 4 Ca 0.01 -0.89 -0.33 0.00 -0.39 0.00 0.00 64.86 63.26 3i54 h ILE 4 Cb 0.14 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3i54 h ILE 4 CO -0.03 0.28 -1.72 0.25 -0.69 0.00 0.00 178.15 176.23 3i54 h LEU 5 N 0.22 0.39 -2.48 1.44 5.85 -0.97 -2.92 115.31 116.84 3i54 h LEU 5 Ca 0.04 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.12 3i54 h LEU 5 Cb 0.44 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3i54 h LEU 5 CO 0.03 1.56 0.13 0.00 -0.34 0.00 0.00 178.44 179.82 3i54 h ALA 6 N 0.38 1.41 0.00 1.25 0.00 -0.74 -0.19 119.26 121.36 3i54 h ALA 6 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i54 h ALA 6 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3i54 h ALA 6 CO 0.14 -0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.76 3i54 n ARG 7 N -3.39 0.03 -2.02 0.00 1.74 -1.10 -4.64 116.66 107.27 3i54 n ARG 7 Ca -0.01 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 3i54 n ARG 7 Cb 0.22 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 3i54 n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i54 s ALA 8 N -2.97 3.53 0.27 7.54 0.00 -0.09 -4.88 121.76 125.16 3i54 s ALA 8 Ca 0.14 1.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 3i54 s ALA 8 Cb 0.18 -3.52 0.54 0.00 0.00 0.00 0.00 23.12 20.32 3i54 s ALA 8 CO 0.49 -0.76 1.79 0.78 0.00 0.00 0.00 175.76 178.06 3i54 h GLY 9 N 3.42 1.48 0.21 0.00 0.00 -1.89 0.33 103.07 106.61 3i54 h GLY 9 Ca -0.49 -0.32 0.26 0.00 0.00 0.00 0.00 47.33 46.78 3i54 h GLY 9 CO 0.66 0.03 0.64 1.19 0.00 0.00 0.00 176.54 179.07 3i54 h ILE 10 N 0.75 0.55 -0.09 2.60 2.10 -1.90 -2.81 117.51 118.72 3i54 h ILE 10 Ca 0.47 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.41 3i54 h ILE 10 Cb 0.60 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 3i54 h ILE 10 CO -0.32 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.24 3i54 n PHE 11 N -4.27 0.09 0.28 2.19 0.99 0.10 -4.59 117.46 112.24 3i54 n PHE 11 Ca 0.18 -0.05 0.05 0.00 -0.00 0.00 0.00 57.45 57.63 3i54 n PHE 11 Cb 0.96 -0.00 0.22 0.00 -1.00 0.00 0.00 39.48 39.66 3i54 n PHE 11 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3i54 n GLN 12 N 1.13 0.02 0.00 -1.08 1.13 -1.06 -0.65 117.38 116.87 3i54 n GLN 12 Ca 0.12 0.38 0.07 0.00 -1.94 0.00 0.00 57.00 55.64 3i54 n GLN 12 Cb 0.50 -1.56 0.06 0.00 0.11 0.00 0.00 30.24 29.35 3i54 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i54 n GLY 13 N -0.65 0.02 0.00 1.08 0.00 -1.26 -5.02 105.19 99.35 3i54 n GLY 13 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i54 n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i54 n VAL 14 N 0.79 0.00 0.00 1.61 0.31 0.18 -4.91 118.33 116.31 3i54 n VAL 14 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3i54 n VAL 14 Cb 0.36 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3i54 n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i54 n GLU 15 N 0.00 0.00 -2.18 5.55 1.02 -1.26 -5.01 120.64 118.77 3i54 n GLU 15 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3i54 n GLU 15 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3i54 n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i54 s PRO 16 N 0.00 3.34 0.00 3.49 0.04 -1.26 -5.11 135.00 135.50 3i54 s PRO 16 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3i54 s PRO 16 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3i54 s PRO 16 CO 0.00 -0.89 0.00 0.45 0.04 0.00 0.00 177.00 176.60 3i54 n SER 17 N -1.19 0.00 -0.71 6.66 2.88 -1.26 -4.97 113.62 115.03 3i54 n SER 17 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3i54 n SER 17 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3i54 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i54 n ALA 18 N -0.44 1.93 0.09 -1.46 0.00 -1.26 -3.99 120.51 115.38 3i54 n ALA 18 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3i54 n ALA 18 Cb 0.00 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 18.73 3i54 n ALA 18 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i54 n ILE 19 N 0.44 1.20 -0.04 0.00 -5.35 -1.26 -4.19 119.36 110.15 3i54 n ILE 19 Ca 0.00 0.64 -0.06 0.00 -0.27 0.00 0.00 62.75 63.06 3i54 n ILE 19 Cb 0.20 -1.64 -0.04 0.00 -1.74 0.00 0.00 39.64 36.43 3i54 n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i54 n ALA 20 N -1.57 1.91 -1.66 -1.28 0.00 -1.26 -5.05 120.51 111.61 3i54 n ALA 20 Ca -0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 3i54 n ALA 20 Cb 0.13 0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3i54 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i54 s ALA 21 N -2.15 1.48 -0.54 0.00 0.00 -1.26 -5.01 121.76 114.27 3i54 s ALA 21 Ca -0.11 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.53 3i54 s ALA 21 Cb 0.03 -4.41 0.18 0.00 0.00 0.00 0.00 23.12 18.92 3i54 s ALA 21 CO 0.17 -4.76 0.43 0.00 0.00 0.00 0.00 175.76 171.61 3i54 n GLN 27 N 8.98 1.01 -2.37 0.00 10.64 -1.26 -5.13 117.38 129.25 3i54 n GLN 27 Ca 0.37 -3.79 -0.37 0.00 -1.83 0.00 0.00 57.00 51.38 3i54 n GLN 27 Cb 0.51 -1.93 -0.02 0.00 -0.86 0.00 0.00 30.24 27.94 3i54 n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3i54 s PRO 28 N -0.76 3.88 -0.07 2.61 0.05 -1.26 -1.93 135.00 137.51 3i54 s PRO 28 Ca 0.30 1.66 -0.06 0.00 0.05 0.00 0.00 61.00 62.95 3i54 s PRO 28 Cb 0.02 -2.42 0.02 0.00 0.05 0.00 0.00 34.50 32.17 3i54 s PRO 28 CO -0.17 -0.42 0.18 0.54 0.05 0.00 0.00 177.00 177.18 3i54 s VAL 29 N -1.61 -0.01 -0.07 -0.36 0.11 0.55 -4.94 120.40 114.07 3i54 s VAL 29 Ca 0.62 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.73 3i54 s VAL 29 Cb -0.26 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3i54 s VAL 29 CO 0.31 0.01 -0.18 -1.81 -3.33 0.00 0.00 175.10 170.11 3i54 s ASP 30 N 0.26 3.71 -0.00 3.54 1.01 -1.26 -1.12 116.67 122.80 3i54 s ASP 30 Ca -0.01 -0.33 0.05 0.00 0.71 0.00 0.00 52.55 52.96 3i54 s ASP 30 Cb -0.03 -1.04 -0.01 0.00 1.01 0.00 0.00 42.92 42.85 3i54 s ASP 30 CO -0.01 0.27 -0.15 -0.36 0.21 0.00 0.00 175.17 175.13 3i54 s PHE 31 N -0.27 1.31 0.87 4.23 0.40 0.88 -5.00 117.98 120.41 3i54 s PHE 31 Ca 0.01 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 3i54 s PHE 31 Cb -0.13 -0.83 0.11 0.00 0.51 0.00 0.00 43.02 42.68 3i54 s PHE 31 CO 0.03 -0.01 1.11 -1.25 0.70 0.00 0.00 175.22 175.80 3i54 s PRO 32 N -0.49 1.49 0.36 0.24 0.04 -1.26 -0.21 135.00 135.16 3i54 s PRO 32 Ca 0.05 0.54 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 3i54 s PRO 32 Cb -0.06 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3i54 s PRO 32 CO -0.00 -2.01 1.43 -2.13 0.04 0.00 0.00 177.00 174.32 3i54 n ARG 33 N -3.68 2.49 -1.06 4.56 0.00 -1.23 -3.22 116.66 114.51 3i54 n ARG 33 Ca 0.07 0.87 -0.02 0.00 -0.00 0.00 0.00 57.85 58.77 3i54 n ARG 33 Cb 0.57 -2.56 -0.01 0.00 0.00 0.00 0.00 32.46 30.47 3i54 n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i54 n GLY 34 N 0.70 0.55 3.66 5.14 0.00 -0.12 -4.97 105.19 110.14 3i54 n GLY 34 Ca 0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3i54 n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i54 s HIS 35 N -2.06 3.38 -0.46 1.61 5.04 -1.20 -4.84 115.29 116.77 3i54 s HIS 35 Ca 0.00 1.10 -0.28 0.00 -1.54 0.00 0.00 55.06 54.34 3i54 s HIS 35 Cb 0.00 -2.93 0.00 0.00 0.04 0.00 0.00 32.58 29.69 3i54 s HIS 35 CO 0.00 -0.24 1.56 0.99 -2.34 0.00 0.00 174.74 174.71 3i54 s THR 36 N 2.16 3.70 0.07 0.89 2.01 -1.26 -0.99 115.64 122.22 3i54 s THR 36 Ca 0.34 0.66 -0.19 0.00 0.31 0.00 0.00 61.69 62.81 3i54 s THR 36 Cb -0.16 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 3i54 s THR 36 CO 0.11 -0.81 1.45 0.58 -0.69 0.00 0.00 174.62 175.26 3i54 h VAL 37 N 6.57 1.29 -3.40 3.82 2.07 -0.92 -3.46 116.25 122.23 3i54 h VAL 37 Ca -0.29 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3i54 h VAL 37 Cb 1.12 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 3i54 h VAL 37 CO 1.11 0.33 -0.02 0.72 0.02 0.00 0.00 177.57 179.73 3i54 s PHE 38 N -4.71 -0.03 0.01 1.57 -0.12 -1.21 -5.00 117.98 108.50 3i54 s PHE 38 Ca -0.14 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 56.47 3i54 s PHE 38 Cb 0.07 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 3i54 s PHE 38 CO 0.75 -0.90 -0.13 0.00 -0.05 0.00 0.00 175.22 174.90 3i54 s ALA 39 N -3.89 2.78 0.17 1.99 0.00 -1.26 -1.03 121.76 120.51 3i54 s ALA 39 Ca 0.11 -1.08 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 3i54 s ALA 39 Cb -0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 23.12 22.01 3i54 s ALA 39 CO -0.02 0.59 1.06 -1.91 0.00 0.00 0.00 175.76 175.48 3i54 n GLU 40 N 1.71 0.95 0.00 0.00 2.13 -1.21 -1.87 120.64 122.34 3i54 n GLU 40 Ca -0.16 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3i54 n GLU 40 Cb 0.52 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.47 3i54 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i54 n GLY 41 N 1.88 1.90 3.79 8.31 0.00 0.03 -4.92 105.19 116.19 3i54 n GLY 41 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3i54 n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i54 s GLU 42 N -0.38 3.40 0.34 1.61 2.12 -0.78 -4.59 118.70 120.43 3i54 s GLU 42 Ca 0.00 1.35 -0.28 0.00 0.36 0.00 0.00 54.97 56.40 3i54 s GLU 42 Cb 0.00 -2.03 -0.10 0.00 0.26 0.00 0.00 34.13 32.26 3i54 s GLU 42 CO 0.00 -0.76 1.25 -1.25 -0.54 0.00 0.00 175.26 173.96 3i54 s PRO 43 N -3.69 4.30 -0.02 4.30 0.04 -1.26 -0.97 135.00 137.70 3i54 s PRO 43 Ca 0.67 2.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.79 3i54 s PRO 43 Cb -0.18 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3i54 s PRO 43 CO 0.31 -0.19 0.03 0.20 0.04 0.00 0.00 177.00 177.39 3i54 s GLY 44 N -0.69 0.07 -0.11 0.56 0.00 -1.26 -4.83 107.32 101.07 3i54 s GLY 44 Ca 0.51 0.26 0.24 0.00 0.00 0.00 0.00 44.72 45.73 3i54 s GLY 44 CO 0.48 0.57 1.15 1.34 0.00 0.00 0.00 173.10 176.64 3i54 n ASP 45 N 3.96 1.12 -3.68 1.64 2.03 -1.26 -4.56 116.55 115.80 3i54 n ASP 45 Ca -0.25 -2.01 -0.10 0.00 0.52 0.00 0.00 54.79 52.95 3i54 n ASP 45 Cb 0.52 -0.33 -0.09 0.00 -0.72 0.00 0.00 41.12 40.49 3i54 n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3i54 s ARG 46 N -1.54 0.52 0.27 -0.67 3.52 -1.26 -3.04 118.95 116.75 3i54 s ARG 46 Ca 0.30 0.91 0.09 0.00 -0.13 0.00 0.00 55.73 56.90 3i54 s ARG 46 Cb 0.35 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 3i54 s ARG 46 CO -0.11 -0.14 0.05 -0.48 -0.81 0.00 0.00 175.30 173.81 3i54 s LEU 47 N 1.29 3.35 0.01 -0.88 0.05 -0.06 -4.61 118.68 117.82 3i54 s LEU 47 Ca -0.08 -0.56 0.04 0.00 0.05 0.00 0.00 54.13 53.58 3i54 s LEU 47 Cb -0.07 -1.87 -0.01 0.00 -2.05 0.00 0.00 46.19 42.19 3i54 s LEU 47 CO -0.13 -0.03 -0.14 -0.31 -0.55 0.00 0.00 176.35 175.20 3i54 s TYR 48 N -2.29 1.21 -0.13 3.48 1.51 0.07 -0.71 117.35 120.50 3i54 s TYR 48 Ca 0.32 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 3i54 s TYR 48 Cb -0.06 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3i54 s TYR 48 CO 0.21 0.00 -0.22 0.42 -1.11 0.00 0.00 175.55 174.85 3i54 s ILE 49 N -0.52 2.09 0.15 2.71 1.01 0.20 -1.43 121.20 125.41 3i54 s ILE 49 Ca 0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 3i54 s ILE 49 Cb -0.06 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 3i54 s ILE 49 CO 0.00 0.55 1.24 -0.63 0.00 0.00 0.00 174.94 176.11 3i54 s ILE 50 N 0.63 3.56 -0.23 2.92 1.01 -0.48 -1.92 121.20 126.70 3i54 s ILE 50 Ca -0.12 1.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.58 3i54 s ILE 50 Cb -0.16 -3.79 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 3i54 s ILE 50 CO 0.02 0.16 0.05 -0.38 0.00 0.00 0.00 174.94 174.80 3i54 n ILE 51 N 2.99 1.53 -3.84 2.92 5.41 0.34 -0.19 119.36 128.53 3i54 n ILE 51 Ca 0.06 -0.13 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 3i54 n ILE 51 Cb 0.44 -2.00 -0.10 0.00 -0.71 0.00 0.00 39.64 37.28 3i54 n ILE 51 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i54 s SER 52 N -7.04 -0.04 0.00 4.38 1.04 -1.07 -4.56 113.70 106.41 3i54 s SER 52 Ca -0.32 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3i54 s SER 52 Cb 0.08 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3i54 s SER 52 CO 0.56 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.03 3i54 n GLY 53 N 1.53 0.61 3.17 7.32 0.00 -1.26 -1.40 105.19 115.17 3i54 n GLY 53 Ca -0.22 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 3i54 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i54 s LYS 54 N -1.19 0.84 -0.04 1.61 1.02 -1.26 -3.93 119.74 116.78 3i54 s LYS 54 Ca 0.00 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3i54 s LYS 54 Cb 0.00 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 3i54 s LYS 54 CO 0.00 0.10 -0.03 0.08 -0.92 0.00 0.00 175.35 174.58 3i54 s VAL 55 N -2.23 0.43 -0.09 3.17 1.01 -0.70 -0.67 120.40 121.31 3i54 s VAL 55 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3i54 s VAL 55 Cb -0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3i54 s VAL 55 CO 0.01 0.20 0.14 -1.59 0.00 0.00 0.00 175.10 173.86 3i54 s LYS 56 N 0.99 3.41 -0.20 2.72 -2.85 0.40 -0.60 119.74 123.61 3i54 s LYS 56 Ca -0.10 -0.20 -0.05 0.00 -1.00 0.00 0.00 55.97 54.62 3i54 s LYS 56 Cb -0.14 -3.14 -0.03 0.00 -2.06 0.00 0.00 37.83 32.46 3i54 s LYS 56 CO -0.01 0.75 0.01 0.42 0.10 0.00 0.00 175.35 176.62 3i54 s ILE 57 N -1.10 4.09 0.02 3.79 -1.09 -0.64 -1.26 121.20 125.00 3i54 s ILE 57 Ca 0.18 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3i54 s ILE 57 Cb -0.12 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3i54 s ILE 57 CO 0.08 0.43 0.05 -0.83 -1.23 0.00 0.00 174.94 173.44 3i54 s GLY 58 N 0.93 0.16 -0.03 6.18 0.00 -0.94 -0.55 107.32 113.07 3i54 s GLY 58 Ca 0.02 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.37 3i54 s GLY 58 CO 0.02 -0.53 -0.17 0.50 0.00 0.00 0.00 173.10 172.92 3i54 s ARG 59 N -1.66 1.64 -0.07 2.90 0.52 -0.56 -1.14 118.95 120.59 3i54 s ARG 59 Ca -0.13 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.33 3i54 s ARG 59 Cb -0.07 -1.49 -0.05 0.00 0.52 0.00 0.00 34.95 33.86 3i54 s ARG 59 CO -0.01 0.30 0.33 -0.98 0.02 0.00 0.00 175.30 174.96 3i54 s ARG 60 N -0.14 3.91 0.74 3.54 1.04 -1.26 -2.31 118.95 124.47 3i54 s ARG 60 Ca 0.00 0.24 -0.09 0.00 -1.04 0.00 0.00 55.73 54.84 3i54 s ARG 60 Cb -0.10 -3.27 0.06 0.00 -2.04 0.00 0.00 34.95 29.61 3i54 s ARG 60 CO 0.01 0.58 1.07 0.00 -0.04 0.00 0.00 175.30 176.93 3i54 s ALA 61 N -0.64 2.96 0.28 7.88 0.00 0.15 -4.95 121.76 127.44 3i54 s ALA 61 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3i54 s ALA 61 Cb -0.15 -2.76 0.66 0.00 0.00 0.00 0.00 23.12 20.88 3i54 s ALA 61 CO 0.09 -1.41 1.66 -1.35 0.00 0.00 0.00 175.76 174.75 3i54 h PRO 62 N -0.75 0.23 -0.93 0.00 0.11 -1.99 -1.26 132.00 127.41 3i54 h PRO 62 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3i54 h PRO 62 Cb 1.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i54 h PRO 62 CO 0.63 0.15 0.01 -0.25 -0.21 0.00 0.00 178.00 178.33 3i54 n ASP 63 N -5.20 1.99 0.00 -2.05 9.92 -1.26 -4.85 116.55 115.10 3i54 n ASP 63 Ca 0.20 -2.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 3i54 n ASP 63 Cb 0.64 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 3i54 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i54 n GLY 64 N 0.12 0.78 3.70 0.44 0.00 -0.47 -4.99 105.19 104.77 3i54 n GLY 64 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3i54 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i54 s ARG 65 N -0.36 1.39 0.07 1.61 0.52 -1.26 -4.69 118.95 116.22 3i54 s ARG 65 Ca 0.00 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 3i54 s ARG 65 Cb 0.00 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 3i54 s ARG 65 CO 0.00 -2.30 -0.04 -1.21 0.02 0.00 0.00 175.30 171.77 3i54 s GLU 66 N -4.76 0.68 0.14 3.54 2.02 -1.26 0.32 118.70 119.38 3i54 s GLU 66 Ca 0.64 -1.24 0.05 0.00 0.02 0.00 0.00 54.97 54.45 3i54 s GLU 66 Cb -0.20 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 3i54 s GLU 66 CO 0.58 -0.07 -0.12 0.54 0.02 0.00 0.00 175.26 176.20 3i54 s ASN 67 N -2.90 1.93 -0.14 -0.19 4.22 -0.98 -4.88 114.94 111.99 3i54 s ASN 67 Ca 0.08 -0.91 -0.05 0.00 -2.14 0.00 0.00 52.86 49.84 3i54 s ASN 67 Cb 0.06 -0.05 -0.04 0.00 1.28 0.00 0.00 41.25 42.51 3i54 s ASN 67 CO -0.08 -0.23 0.02 -0.76 -2.04 0.00 0.00 177.10 174.02 3i54 s LEU 68 N -2.81 3.64 -0.09 3.54 1.43 -1.02 -1.50 118.68 121.86 3i54 s LEU 68 Ca 0.13 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 3i54 s LEU 68 Cb -0.02 -1.88 -0.28 0.00 0.03 0.00 0.00 46.19 44.04 3i54 s LEU 68 CO 0.02 0.24 0.63 -0.07 0.23 0.00 0.00 176.35 177.41 3i54 h LEU 69 N 6.16 0.39 -7.82 1.79 3.38 -1.15 -3.39 115.31 114.67 3i54 h LEU 69 Ca -0.40 -0.87 0.13 0.00 0.09 0.00 0.00 57.88 56.83 3i54 h LEU 69 Cb 1.18 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 3i54 h LEU 69 CO 0.63 1.55 0.37 0.28 0.09 0.00 0.00 178.44 181.37 3i54 s THR 70 N -2.46 0.00 -0.06 0.22 -1.32 -1.23 -5.04 115.64 105.75 3i54 s THR 70 Ca -0.19 -0.82 0.05 0.00 -1.21 0.00 0.00 61.69 59.53 3i54 s THR 70 Cb 0.03 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.98 3i54 s THR 70 CO 0.78 0.00 -0.23 -0.63 -2.21 0.00 0.00 174.62 172.32 3i54 s ILE 71 N -3.51 1.94 -0.12 5.08 -1.09 -1.26 -1.62 121.20 120.61 3i54 s ILE 71 Ca 0.12 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.51 3i54 s ILE 71 Cb -0.03 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 3i54 s ILE 71 CO 0.05 0.54 0.04 -0.04 -1.23 0.00 0.00 174.94 174.30 3i54 s MET 72 N -0.01 3.35 0.00 2.79 -1.94 0.23 -4.98 119.30 118.75 3i54 s MET 72 Ca -0.07 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3i54 s MET 72 Cb -0.14 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.71 3i54 s MET 72 CO 0.05 0.60 0.00 0.41 -0.01 0.00 0.00 175.02 176.06 3i54 n GLY 73 N 2.50 5.74 3.67 -0.03 0.00 -1.26 -1.73 105.19 114.08 3i54 n GLY 73 Ca -0.18 -1.96 -0.59 0.00 0.00 0.00 0.00 46.02 43.28 3i54 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i54 n PRO 74 N 0.00 0.69 -0.79 1.61 -0.02 -1.25 -1.57 135.00 133.66 3i54 n PRO 74 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3i54 n PRO 74 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3i54 n PRO 74 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i54 n SER 75 N 3.93 0.00 -4.82 2.55 3.41 0.74 -4.99 113.62 114.43 3i54 n SER 75 Ca 0.25 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.52 3i54 n SER 75 Cb 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3i54 n SER 75 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i54 s ASP 76 N -3.03 6.98 -0.16 4.04 1.01 -0.61 -4.26 116.67 120.65 3i54 s ASP 76 Ca 0.00 1.49 -0.04 0.00 0.71 0.00 0.00 52.55 54.71 3i54 s ASP 76 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3i54 s ASP 76 CO 0.00 -0.14 -0.03 -0.32 0.21 0.00 0.00 175.17 174.89 3i54 s MET 77 N -2.57 3.70 0.15 8.23 -2.45 -1.26 -1.38 119.30 123.72 3i54 s MET 77 Ca 0.52 -0.50 0.05 0.00 -1.25 0.00 0.00 55.69 54.50 3i54 s MET 77 Cb -0.13 -2.95 -0.04 0.00 1.25 0.00 0.00 34.83 32.95 3i54 s MET 77 CO 0.19 0.23 -0.10 -0.59 1.05 0.00 0.00 175.02 175.80 3i54 s PHE 78 N 0.39 1.31 0.00 4.11 -0.71 -0.51 -4.86 117.98 117.71 3i54 s PHE 78 Ca -0.03 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 3i54 s PHE 78 Cb -0.14 -0.66 0.00 0.00 -1.21 0.00 0.00 43.02 41.01 3i54 s PHE 78 CO 0.03 0.11 0.00 0.41 -1.34 0.00 0.00 175.22 174.42 3i54 n GLY 79 N -0.22 0.67 0.10 1.99 0.00 -1.26 -0.75 105.19 105.71 3i54 n GLY 79 Ca -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 3i54 n GLY 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i54 h GLU 80 N 1.61 0.00 -0.36 1.61 9.09 -1.89 -3.36 114.58 121.29 3i54 h GLU 80 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3i54 h GLU 80 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3i54 h GLU 80 CO 0.00 0.74 0.12 -0.07 0.05 0.00 0.00 179.01 179.85 3i54 h LEU 81 N 0.00 0.46 0.00 3.06 3.38 -1.95 -0.26 115.31 120.00 3i54 h LEU 81 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i54 h LEU 81 Cb 1.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3i54 h LEU 81 CO 0.10 0.44 -0.05 0.77 0.09 0.00 0.00 178.44 179.79 3i54 h SER 82 N 0.51 0.00 -0.04 -0.43 4.64 -1.77 -1.03 113.55 115.43 3i54 h SER 82 Ca 0.12 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3i54 h SER 82 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3i54 h SER 82 CO -0.01 0.01 -0.23 0.40 -0.87 0.00 0.00 176.83 176.12 3i54 h ILE 83 N 0.00 1.46 0.00 0.95 2.04 -1.24 -3.18 117.51 117.54 3i54 h ILE 83 Ca 0.00 -1.71 -0.11 0.00 1.00 0.00 0.00 64.86 64.04 3i54 h ILE 83 Cb 0.79 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3i54 h ILE 83 CO 0.00 0.48 -0.53 -0.26 0.00 0.00 0.00 178.15 177.84 3i54 h PHE 84 N -0.32 0.00 -2.75 1.37 0.04 -1.29 -3.37 116.94 110.62 3i54 h PHE 84 Ca -0.02 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.15 3i54 h PHE 84 Cb 0.90 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.64 3i54 h PHE 84 CO 0.14 0.53 -0.76 0.34 -0.60 0.00 0.00 178.31 177.96 3i54 s ASP 85 N -6.48 3.27 -0.02 2.17 2.15 -0.39 -5.10 116.67 112.26 3i54 s ASP 85 Ca 0.03 -3.51 -0.37 0.00 0.43 0.00 0.00 52.55 49.13 3i54 s ASP 85 Cb 0.09 -1.09 -0.16 0.00 -0.30 0.00 0.00 42.92 41.46 3i54 s ASP 85 CO 0.74 -0.12 1.53 -2.65 -0.17 0.00 0.00 175.17 174.49 3i54 n PRO 86 N 2.35 1.35 -3.18 4.34 -0.02 -1.20 -4.38 135.00 134.25 3i54 n PRO 86 Ca 0.25 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3i54 n PRO 86 Cb 0.41 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3i54 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i54 n GLY 87 N 3.25 -0.84 3.73 -1.23 0.00 -1.25 -5.08 105.19 103.77 3i54 n GLY 87 Ca 0.21 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3i54 n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i54 n PRO 88 N 0.00 1.26 -1.64 1.61 -0.02 -1.26 -4.03 135.00 130.92 3i54 n PRO 88 Ca 0.00 0.49 -0.47 0.00 -2.02 0.00 0.00 63.50 61.49 3i54 n PRO 88 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 30.91 3i54 n PRO 88 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i54 n ARG 89 N -1.64 1.81 0.04 -0.52 5.12 -0.15 -4.78 116.66 116.55 3i54 n ARG 89 Ca 0.14 0.65 0.13 0.00 -1.93 0.00 0.00 57.85 56.85 3i54 n ARG 89 Cb 0.47 -2.33 0.48 0.00 -1.16 0.00 0.00 32.46 29.92 3i54 n ARG 89 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i54 n THR 90 N 2.61 0.24 -3.86 0.55 -1.04 -1.26 -0.79 114.28 110.73 3i54 n THR 90 Ca 0.16 -0.12 -0.07 0.00 -2.04 0.00 0.00 64.05 61.97 3i54 n THR 90 Cb 0.27 -0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 3i54 n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i54 s SER 91 N -3.64 -0.26 0.38 8.00 1.04 -1.26 -4.86 113.70 113.10 3i54 s SER 91 Ca 0.12 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 3i54 s SER 91 Cb 0.16 0.73 -0.06 0.00 0.10 0.00 0.00 66.02 66.95 3i54 s SER 91 CO 0.58 -1.34 0.69 -0.94 0.98 0.00 0.00 173.24 173.21 3i54 s SER 92 N -2.92 6.46 -0.20 7.02 1.04 -0.29 -3.35 113.70 121.45 3i54 s SER 92 Ca 0.11 0.95 0.01 0.00 0.48 0.00 0.00 55.95 57.50 3i54 s SER 92 Cb -0.06 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.85 3i54 s SER 92 CO 0.07 -0.35 -0.13 0.00 0.98 0.00 0.00 173.24 173.81 3i54 s ALA 93 N -2.32 2.13 -0.08 5.32 0.00 -0.20 -2.21 121.76 124.40 3i54 s ALA 93 Ca 0.48 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3i54 s ALA 93 Cb -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3i54 s ALA 93 CO 0.33 -0.74 -0.17 0.99 0.00 0.00 0.00 175.76 176.17 3i54 s THR 94 N 1.34 1.47 0.26 0.00 2.01 -0.39 -0.14 115.64 120.19 3i54 s THR 94 Ca -0.01 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 3i54 s THR 94 Cb -0.16 -1.31 -0.09 0.00 0.01 0.00 0.00 72.50 70.95 3i54 s THR 94 CO -0.09 0.43 1.07 0.42 -0.69 0.00 0.00 174.62 175.76 3i54 s THR 95 N 0.52 3.64 -0.56 -0.82 -4.23 -0.16 -0.45 115.64 113.59 3i54 s THR 95 Ca -0.16 1.63 0.10 0.00 -1.18 0.00 0.00 61.69 62.09 3i54 s THR 95 Cb -0.16 -4.04 -0.10 0.00 1.34 0.00 0.00 72.50 69.54 3i54 s THR 95 CO 0.06 0.38 0.47 2.30 -0.54 0.00 0.00 174.62 177.28 3i54 n ILE 96 N 1.37 0.00 -4.16 2.99 -5.35 0.15 -0.94 119.36 113.42 3i54 n ILE 96 Ca -0.01 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.10 3i54 n ILE 96 Cb 0.45 1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 3i54 n ILE 96 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3i54 n THR 97 N -1.11 0.00 -2.07 7.28 -2.24 -1.20 -4.76 114.28 110.18 3i54 n THR 97 Ca 0.02 -1.17 -0.39 0.00 -2.27 0.00 0.00 64.05 60.24 3i54 n THR 97 Cb 0.17 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3i54 n THR 97 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i54 s GLU 98 N -2.68 3.81 -0.03 -0.78 0.41 -1.26 -3.48 118.70 114.70 3i54 s GLU 98 Ca 0.17 2.07 0.02 0.00 -0.41 0.00 0.00 54.97 56.82 3i54 s GLU 98 Cb 0.01 -2.61 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 3i54 s GLU 98 CO 0.12 -0.59 -0.07 0.08 -0.49 0.00 0.00 175.26 174.31 3i54 s VAL 99 N -1.33 0.63 -0.10 2.63 1.01 0.70 -4.07 120.40 119.87 3i54 s VAL 99 Ca 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3i54 s VAL 99 Cb -0.36 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3i54 s VAL 99 CO 0.45 0.21 -0.04 -0.60 0.00 0.00 0.00 175.10 175.13 3i54 s ARG 100 N 0.36 3.08 0.21 2.72 3.52 -0.49 -0.08 118.95 128.27 3i54 s ARG 100 Ca -0.05 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 3i54 s ARG 100 Cb -0.09 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3i54 s ARG 100 CO 0.00 0.56 0.43 0.00 -0.81 0.00 0.00 175.30 175.49 3i54 s ALA 101 N -0.51 -0.30 0.17 6.12 0.00 -0.27 -0.50 121.76 126.46 3i54 s ALA 101 Ca 0.08 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3i54 s ALA 101 Cb -0.12 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 3i54 s ALA 101 CO 0.02 -0.79 -0.20 0.14 0.00 0.00 0.00 175.76 174.94 3i54 s VAL 102 N -3.98 1.96 0.17 0.00 -7.23 -0.81 -0.33 120.40 110.19 3i54 s VAL 102 Ca 0.19 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 3i54 s VAL 102 Cb 0.00 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3i54 s VAL 102 CO 0.04 -0.26 0.03 -0.94 -0.31 0.00 0.00 175.10 173.67 3i54 s SER 103 N -2.65 0.93 -0.06 4.85 1.04 -0.81 -0.63 113.70 116.35 3i54 s SER 103 Ca 0.17 -1.21 -0.19 0.00 0.48 0.00 0.00 55.95 55.19 3i54 s SER 103 Cb -0.06 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.28 3i54 s SER 103 CO 0.07 -0.64 0.45 0.00 0.98 0.00 0.00 173.24 174.10 3i54 s MET 104 N -3.97 0.74 0.67 4.02 0.23 0.11 -4.30 119.30 116.80 3i54 s MET 104 Ca 0.26 0.14 0.01 0.00 -1.03 0.00 0.00 55.69 55.06 3i54 s MET 104 Cb 0.07 0.34 0.10 0.00 -1.53 0.00 0.00 34.83 33.81 3i54 s MET 104 CO 0.05 -0.19 0.93 0.16 -2.03 0.00 0.00 175.02 173.93 3i54 s ASP 105 N -0.90 4.61 0.27 -1.18 1.47 -1.26 -0.88 116.67 118.81 3i54 s ASP 105 Ca -0.10 -0.35 0.01 0.00 1.18 0.00 0.00 52.55 53.29 3i54 s ASP 105 Cb -0.03 -0.15 0.55 0.00 -0.34 0.00 0.00 42.92 42.94 3i54 s ASP 105 CO 0.05 -1.66 1.81 -0.09 0.68 0.00 0.00 175.17 175.96 3i54 h ARG 106 N -0.33 0.85 -0.05 2.11 2.43 -1.94 -1.75 114.38 115.69 3i54 h ARG 106 Ca -0.37 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.65 3i54 h ARG 106 Cb 1.28 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3i54 h ARG 106 CO 0.43 0.56 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.62 3i54 h ASP 107 N 0.87 0.42 -0.13 -3.80 3.32 -1.94 -2.23 116.42 112.93 3i54 h ASP 107 Ca 0.49 -0.69 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3i54 h ASP 107 Cb 0.55 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 3i54 h ASP 107 CO -0.29 1.05 -0.18 0.00 -1.72 0.00 0.00 179.24 178.10 3i54 h ALA 108 N 0.38 -0.11 -0.63 3.45 0.00 -1.87 -2.58 119.26 117.89 3i54 h ALA 108 Ca -0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i54 h ALA 108 Cb 1.06 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3i54 h ALA 108 CO 0.08 -0.63 0.42 1.25 0.00 0.00 0.00 179.25 180.36 3i54 h LEU 109 N -0.22 0.68 -0.82 0.00 5.85 -1.36 -2.58 115.31 116.84 3i54 h LEU 109 Ca 0.10 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3i54 h LEU 109 Cb 0.37 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3i54 h LEU 109 CO -0.26 0.48 -0.58 0.03 -0.34 0.00 0.00 178.44 177.77 3i54 h ARG 110 N 0.80 0.00 0.47 1.25 3.08 -1.07 -1.61 114.38 117.29 3i54 h ARG 110 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3i54 h ARG 110 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i54 h ARG 110 CO -0.06 0.58 -0.22 0.77 -1.07 0.00 0.00 179.97 179.97 3i54 h SER 111 N 0.00 -0.53 -0.81 7.04 0.02 -1.23 -2.17 113.55 115.88 3i54 h SER 111 Ca -0.01 -0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.04 3i54 h SER 111 Cb 1.04 0.14 -0.15 0.00 0.14 0.00 0.00 62.40 63.56 3i54 h SER 111 CO 0.08 -0.25 -0.20 -0.50 -1.14 0.00 0.00 176.83 174.82 3i54 h TRP 112 N -0.81 -0.42 -0.17 3.45 4.06 -1.30 -0.08 115.95 120.68 3i54 h TRP 112 Ca -0.06 0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3i54 h TRP 112 Cb 0.56 0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 3i54 h TRP 112 CO -0.01 -0.35 0.05 0.82 -3.56 0.00 0.00 178.44 175.40 3i54 h ILE 113 N 0.00 1.19 -0.22 1.49 2.04 -1.27 0.37 117.51 121.12 3i54 h ILE 113 Ca 0.39 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3i54 h ILE 113 Cb 0.60 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i54 h ILE 113 CO -0.83 0.18 0.03 0.00 0.00 0.00 0.00 178.15 177.53 3i54 h ALA 114 N 0.87 0.21 -0.80 1.87 0.00 -0.79 -2.37 119.26 118.26 3i54 h ALA 114 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i54 h ALA 114 Cb 0.23 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3i54 h ALA 114 CO -0.00 -0.40 0.50 0.22 0.00 0.00 0.00 179.25 179.57 3i54 h ASP 115 N 0.11 0.80 -2.43 0.00 3.58 -0.89 -3.39 116.42 114.20 3i54 h ASP 115 Ca 0.10 0.01 -0.58 0.00 0.42 0.00 0.00 57.03 56.98 3i54 h ASP 115 Cb 0.10 -0.16 -0.38 0.00 1.72 0.00 0.00 39.33 40.61 3i54 h ASP 115 CO -0.14 0.53 -0.91 -0.13 -2.88 0.00 0.00 179.24 175.71 3i54 s ARG 116 N -6.09 0.74 0.57 0.28 0.52 0.13 -5.01 118.95 110.09 3i54 s ARG 116 Ca -0.13 -1.73 0.27 0.00 -0.52 0.00 0.00 55.73 53.63 3i54 s ARG 116 Cb 0.17 -1.33 1.68 0.00 0.52 0.00 0.00 34.95 36.00 3i54 s ARG 116 CO 0.78 -1.31 2.22 -1.35 0.02 0.00 0.00 175.30 175.66 3i54 h PRO 117 N 6.26 0.00 -0.28 3.54 0.11 -1.66 -1.55 132.00 138.42 3i54 h PRO 117 Ca 0.17 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.36 3i54 h PRO 117 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3i54 h PRO 117 CO 0.31 0.02 0.36 1.05 -0.21 0.00 0.00 178.00 179.53 3i54 h GLU 118 N 0.00 0.00 0.01 1.05 9.09 -1.92 -1.45 114.58 121.37 3i54 h GLU 118 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i54 h GLU 118 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3i54 h GLU 118 CO 0.00 0.00 -0.01 0.82 0.05 0.00 0.00 179.01 179.88 3i54 h ILE 119 N 0.00 1.17 -0.73 -1.06 2.04 -1.53 -2.83 117.51 114.56 3i54 h ILE 119 Ca 0.13 -0.55 0.16 0.00 1.00 0.00 0.00 64.86 65.60 3i54 h ILE 119 Cb 0.85 1.54 -0.11 0.00 -0.74 0.00 0.00 36.82 38.36 3i54 h ILE 119 CO -0.00 0.14 0.18 0.28 0.00 0.00 0.00 178.15 178.75 3i54 h SER 120 N -0.26 0.02 -0.02 1.72 0.02 -1.43 0.09 113.55 113.70 3i54 h SER 120 Ca -0.00 0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3i54 h SER 120 Cb 0.25 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3i54 h SER 120 CO 0.00 -0.03 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.32 3i54 h GLU 121 N 0.27 0.43 -0.23 3.45 4.81 -1.46 -0.22 114.58 121.64 3i54 h GLU 121 Ca 0.41 -0.16 -0.19 0.00 -0.13 0.00 0.00 59.36 59.29 3i54 h GLU 121 Cb 0.70 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3i54 h GLU 121 CO -0.50 0.66 -0.61 1.96 -0.73 0.00 0.00 179.01 179.79 3i54 h GLN 122 N 0.38 0.77 -0.38 1.92 1.08 -1.16 -2.22 115.11 115.49 3i54 h GLN 122 Ca 0.06 -0.52 -0.05 0.00 -1.45 0.00 0.00 58.65 56.69 3i54 h GLN 122 Cb 0.66 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3i54 h GLN 122 CO 0.05 1.14 0.03 -0.07 -0.95 0.00 0.00 178.83 179.03 3i54 h LEU 123 N 0.57 0.56 -0.84 1.46 3.38 -0.48 -0.98 115.31 118.98 3i54 h LEU 123 Ca -0.00 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3i54 h LEU 123 Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3i54 h LEU 123 CO 0.13 0.61 -0.37 -0.07 0.09 0.00 0.00 178.44 178.82 3i54 h LEU 124 N 0.57 0.44 -0.14 1.67 3.38 -0.96 -2.06 115.31 118.20 3i54 h LEU 124 Ca 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3i54 h LEU 124 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i54 h LEU 124 CO 0.01 0.77 -0.06 -0.09 0.09 0.00 0.00 178.44 179.17 3i54 h ARG 125 N 0.36 0.29 -0.34 1.13 2.43 -0.80 0.02 114.38 117.47 3i54 h ARG 125 Ca 0.04 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3i54 h ARG 125 Cb 0.82 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3i54 h ARG 125 CO 0.07 0.61 0.22 0.28 -1.51 0.00 0.00 179.97 179.63 3i54 h VAL 126 N -0.03 1.07 -0.47 0.20 2.07 -1.11 -1.47 116.25 116.51 3i54 h VAL 126 Ca 0.03 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3i54 h VAL 126 Cb 0.51 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3i54 h VAL 126 CO 0.02 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.70 3i54 h LEU 127 N 0.44 0.74 -0.92 2.57 3.38 -1.37 -0.71 115.31 119.44 3i54 h LEU 127 Ca 0.13 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3i54 h LEU 127 Cb -0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3i54 h LEU 127 CO -0.03 0.80 0.58 0.00 0.09 0.00 0.00 178.44 179.88 3i54 h ALA 128 N 0.96 1.27 -0.58 1.53 0.00 -0.75 -0.86 119.26 120.83 3i54 h ALA 128 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i54 h ALA 128 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i54 h ALA 128 CO 0.01 0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.70 3i54 h ARG 129 N 1.06 0.95 -0.54 0.00 3.08 -1.01 -1.18 114.38 116.74 3i54 h ARG 129 Ca 0.40 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 3i54 h ARG 129 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3i54 h ARG 129 CO -0.17 0.90 -0.00 0.00 -1.07 0.00 0.00 179.97 179.63 3i54 h ARG 130 N 0.85 0.92 -0.57 0.04 3.08 -0.62 -1.66 114.38 116.41 3i54 h ARG 130 Ca 0.18 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3i54 h ARG 130 Cb 0.41 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3i54 h ARG 130 CO 0.01 0.91 0.22 1.25 -1.07 0.00 0.00 179.97 181.29 3i54 h LEU 131 N 0.85 0.79 -0.52 3.04 5.85 -1.01 -0.30 115.31 124.01 3i54 h LEU 131 Ca 0.16 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3i54 h LEU 131 Cb 0.50 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3i54 h LEU 131 CO 0.02 0.75 0.20 0.03 -0.34 0.00 0.00 178.44 179.11 3i54 h ARG 132 N 0.79 0.79 -0.15 1.25 3.08 -0.99 -1.08 114.38 118.06 3i54 h ARG 132 Ca 0.19 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3i54 h ARG 132 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i54 h ARG 132 CO -0.01 0.70 0.09 0.00 -1.07 0.00 0.00 179.97 179.67 3i54 h ARG 133 N 0.71 0.21 -0.28 0.04 -0.00 -1.20 -1.21 114.38 112.64 3i54 h ARG 133 Ca 0.17 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.62 3i54 h ARG 133 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.12 3i54 h ARG 133 CO -0.01 0.20 0.12 1.15 0.00 0.00 0.00 179.97 181.43 3i54 h THR 134 N 0.16 1.11 -0.42 2.04 2.02 -0.85 0.96 112.91 117.92 3i54 h THR 134 Ca 0.05 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 3i54 h THR 134 Cb 0.05 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3i54 h THR 134 CO -0.01 0.12 -0.24 0.78 0.37 0.00 0.00 175.52 176.54 3i54 h ASN 135 N 0.39 0.94 -0.40 4.18 2.35 -0.92 -1.14 115.58 120.99 3i54 h ASN 135 Ca 0.10 -0.42 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 3i54 h ASN 135 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3i54 h ASN 135 CO -0.01 1.15 0.17 0.78 -1.65 0.00 0.00 177.43 177.87 3i54 h ASN 136 N 0.73 0.54 -0.29 5.81 2.35 -0.41 -0.91 115.58 123.40 3i54 h ASN 136 Ca 0.09 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3i54 h ASN 136 Cb 0.82 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3i54 h ASN 136 CO 0.07 0.55 0.13 0.78 -1.65 0.00 0.00 177.43 177.31 3i54 h ASN 137 N 0.50 0.18 -0.76 5.81 2.35 -0.74 0.17 115.58 123.08 3i54 h ASN 137 Ca 0.13 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3i54 h ASN 137 Cb 0.17 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3i54 h ASN 137 CO -0.01 0.14 0.37 0.25 -1.65 0.00 0.00 177.43 176.53 3i54 h LEU 138 N 0.28 0.99 -0.36 1.61 6.46 -1.12 -1.12 115.31 122.06 3i54 h LEU 138 Ca 0.12 -0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 3i54 h LEU 138 Cb 0.06 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 3i54 h LEU 138 CO -0.10 0.84 -0.19 0.00 -0.62 0.00 0.00 178.44 178.37 3i54 h ALA 139 N 1.19 0.51 -0.85 1.25 0.00 -0.75 -2.84 119.26 117.75 3i54 h ALA 139 Ca 0.26 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i54 h ALA 139 Cb 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3i54 h ALA 139 CO -0.03 0.45 0.55 -0.44 0.00 0.00 0.00 179.25 179.78 3i54 h ASP 140 N 0.55 0.71 0.14 0.00 3.32 -0.40 -0.18 116.42 120.56 3i54 h ASP 140 Ca 0.08 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3i54 h ASP 140 Cb 0.74 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3i54 h ASP 140 CO 0.06 0.41 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.60 3i54 h LEU 141 N 0.78 0.27 0.13 1.55 3.38 -0.98 -0.14 115.31 120.29 3i54 h LEU 141 Ca 0.40 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.99 3i54 h LEU 141 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3i54 h LEU 141 CO -0.17 0.58 -1.37 0.40 0.09 0.00 0.00 178.44 177.97 3i54 h ILE 142 N 0.23 1.35 0.00 1.22 2.04 -1.23 -3.43 117.51 117.70 3i54 h ILE 142 Ca 0.03 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.94 3i54 h ILE 142 Cb 0.68 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3i54 h ILE 142 CO 0.05 0.86 -0.54 0.49 0.00 0.00 0.00 178.15 179.01 3i54 n PHE 143 N -3.50 0.00 -4.15 1.37 3.72 -0.14 -5.04 117.46 109.73 3i54 n PHE 143 Ca -0.12 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.96 3i54 n PHE 143 Cb 1.03 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.50 3i54 n PHE 143 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3i54 s THR 144 N -1.43 4.50 0.92 4.37 2.01 -0.08 -5.02 115.64 120.91 3i54 s THR 144 Ca 0.00 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 3i54 s THR 144 Cb 0.00 -3.07 0.14 0.00 0.01 0.00 0.00 72.50 69.59 3i54 s THR 144 CO 0.00 0.31 1.16 1.51 -0.69 0.00 0.00 174.62 176.91 3i54 s ASP 145 N -1.82 3.45 0.02 3.53 -4.77 -1.26 -4.75 116.67 111.07 3i54 s ASP 145 Ca 0.23 0.84 -0.26 0.00 -3.30 0.00 0.00 52.55 50.07 3i54 s ASP 145 Cb -0.12 -1.33 -0.17 0.00 -1.09 0.00 0.00 42.92 40.21 3i54 s ASP 145 CO 0.14 -2.57 1.37 0.58 0.70 0.00 0.00 175.17 175.39 3i54 h VAL 146 N -1.51 0.84 -0.32 2.11 2.07 -1.98 -1.18 116.25 116.27 3i54 h VAL 146 Ca -0.49 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3i54 h VAL 146 Cb 1.32 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3i54 h VAL 146 CO 0.58 0.11 0.14 -0.65 0.02 0.00 0.00 177.57 177.78 3i54 h PRO 147 N -0.59 0.45 -0.50 1.57 0.11 -1.95 0.98 132.00 132.08 3i54 h PRO 147 Ca -0.03 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.07 3i54 h PRO 147 Cb 0.43 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3i54 h PRO 147 CO 0.05 0.36 0.26 0.78 -0.21 0.00 0.00 178.00 179.24 3i54 h GLY 148 N 0.58 0.70 1.75 -0.55 0.00 -1.75 -1.15 103.07 102.65 3i54 h GLY 148 Ca 0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3i54 h GLY 148 CO -0.01 0.12 -0.31 3.21 0.00 0.00 0.00 176.54 179.55 3i54 h ARG 149 N 0.50 0.29 0.07 4.80 3.08 0.03 -1.78 114.38 121.37 3i54 h ARG 149 Ca 0.22 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3i54 h ARG 149 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3i54 h ARG 149 CO -0.14 0.58 -0.04 0.28 -1.07 0.00 0.00 179.97 179.58 3i54 h VAL 150 N 0.25 1.17 -0.56 2.04 2.07 -0.64 -0.21 116.25 120.37 3i54 h VAL 150 Ca 0.03 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3i54 h VAL 150 Cb 0.68 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3i54 h VAL 150 CO 0.05 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.17 3i54 h ALA 151 N 0.36 0.72 -0.10 1.67 0.00 -1.22 0.14 119.26 120.83 3i54 h ALA 151 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i54 h ALA 151 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i54 h ALA 151 CO 0.02 -0.02 0.07 -0.22 0.00 0.00 0.00 179.25 179.10 3i54 h LYS 152 N 0.59 0.14 -0.82 0.00 3.64 -1.25 -2.12 116.57 116.74 3i54 h LYS 152 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3i54 h LYS 152 Cb 0.11 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3i54 h LYS 152 CO -0.15 0.11 0.52 0.37 -2.27 0.00 0.00 179.45 178.04 3i54 h GLN 153 N 0.13 1.10 -1.00 1.90 5.75 -0.57 0.01 115.11 122.43 3i54 h GLN 153 Ca 0.04 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3i54 h GLN 153 Cb 0.00 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 28.25 3i54 h GLN 153 CO -0.01 0.75 0.65 -0.07 -2.65 0.00 0.00 178.83 177.50 3i54 h LEU 154 N 1.12 1.08 -0.18 -2.39 3.38 -0.49 -1.94 115.31 115.88 3i54 h LEU 154 Ca 0.30 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 3i54 h LEU 154 Cb -0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3i54 h LEU 154 CO -0.06 0.72 -0.79 -0.07 0.09 0.00 0.00 178.44 178.33 3i54 h LEU 155 N 1.24 0.00 -0.34 1.67 3.38 -0.65 -0.15 115.31 120.47 3i54 h LEU 155 Ca 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3i54 h LEU 155 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i54 h LEU 155 CO -0.14 0.79 -0.13 1.56 0.09 0.00 0.00 178.44 180.61 3i54 h GLN 156 N 0.00 0.68 -0.56 1.13 4.20 -0.85 -1.82 115.11 117.89 3i54 h GLN 156 Ca -0.01 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 3i54 h GLN 156 Cb 1.52 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 3i54 h GLN 156 CO 0.10 0.88 0.05 -0.07 -0.67 0.00 0.00 178.83 179.12 3i54 h LEU 157 N 0.46 0.88 -0.72 1.46 3.38 -1.22 -2.19 115.31 117.35 3i54 h LEU 157 Ca 0.08 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3i54 h LEU 157 Cb 0.65 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3i54 h LEU 157 CO 0.04 0.91 0.44 0.00 0.09 0.00 0.00 178.44 179.92 3i54 h ALA 158 N 1.19 0.96 -0.69 1.53 0.00 -0.88 0.50 119.26 121.87 3i54 h ALA 158 Ca 0.17 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3i54 h ALA 158 Cb 0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3i54 h ALA 158 CO 0.02 0.18 0.32 1.96 0.00 0.00 0.00 179.25 181.72 3i54 h GLN 159 N 0.83 0.53 0.09 0.00 4.20 -0.68 -1.98 115.11 118.09 3i54 h GLN 159 Ca 0.31 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.65 3i54 h GLN 159 Cb 0.10 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3i54 h GLN 159 CO -0.15 0.35 -1.82 0.00 -0.67 0.00 0.00 178.83 176.54 3i54 h ARG 160 N 0.54 0.19 -0.48 1.46 3.08 -1.25 -3.41 114.38 114.51 3i54 h ARG 160 Ca 0.35 -0.32 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 3i54 h ARG 160 Cb 0.40 0.12 -0.37 0.00 0.08 0.00 0.00 29.97 30.20 3i54 h ARG 160 CO -0.29 0.98 -0.92 1.19 -1.07 0.00 0.00 179.97 179.86 3i54 n PHE 161 N -3.35 1.62 -4.04 3.04 3.72 0.17 -5.04 117.46 113.59 3i54 n PHE 161 Ca -0.24 -1.95 -0.35 0.00 -0.05 0.00 0.00 57.45 54.87 3i54 n PHE 161 Cb 1.05 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 39.25 3i54 n PHE 161 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i54 s GLY 162 N -3.49 2.07 0.08 1.37 0.00 -0.75 -2.40 107.32 104.21 3i54 s GLY 162 Ca 0.39 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3i54 s GLY 162 CO -0.02 -0.59 -0.12 -0.51 0.00 0.00 0.00 173.10 171.86 3i54 s THR 163 N -1.12 1.00 0.01 0.90 -4.23 0.11 -4.95 115.64 107.35 3i54 s THR 163 Ca 0.20 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 3i54 s THR 163 Cb -0.12 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 3i54 s THR 163 CO 0.10 -0.34 0.95 -1.10 -0.54 0.00 0.00 174.62 173.69 3i54 s GLN 164 N -2.01 4.57 -0.25 3.99 -1.52 -1.26 -0.38 119.66 122.79 3i54 s GLN 164 Ca -0.01 1.37 0.01 0.00 -1.95 0.00 0.00 55.36 54.79 3i54 s GLN 164 Cb -0.08 -3.45 0.07 0.00 -0.22 0.00 0.00 33.01 29.33 3i54 s GLN 164 CO 0.02 0.00 -0.04 -1.21 -0.25 0.00 0.00 175.29 173.80 3i54 s GLU 165 N 0.83 1.65 1.53 2.91 2.02 0.67 -4.91 118.70 123.41 3i54 s GLU 165 Ca 0.50 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3i54 s GLU 165 Cb -0.21 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3i54 s GLU 165 CO 0.27 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.31 3i54 n GLY 166 N 4.61 2.62 0.34 -1.39 0.00 -1.26 0.01 105.19 110.12 3i54 n GLY 166 Ca -0.10 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3i54 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i54 n GLY 167 N 0.00 0.11 3.34 -0.02 0.00 -1.26 -4.89 105.19 102.47 3i54 n GLY 167 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 3i54 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i54 s ALA 168 N -1.69 2.01 -0.23 4.61 0.00 0.10 -4.94 121.76 121.61 3i54 s ALA 168 Ca 0.08 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.35 3i54 s ALA 168 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3i54 s ALA 168 CO 0.04 0.10 0.05 -1.17 0.00 0.00 0.00 175.76 174.79 3i54 s LEU 169 N -3.16 3.44 -0.20 0.00 2.96 -0.65 -0.24 118.68 120.83 3i54 s LEU 169 Ca 0.21 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 3i54 s LEU 169 Cb -0.02 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3i54 s LEU 169 CO 0.07 0.02 0.35 -0.60 -1.32 0.00 0.00 176.35 174.86 3i54 s ARG 170 N 1.31 4.17 -0.34 1.98 6.06 0.49 0.98 118.95 133.60 3i54 s ARG 170 Ca 0.05 0.12 -0.02 0.00 -2.50 0.00 0.00 55.73 53.37 3i54 s ARG 170 Cb -0.15 -3.52 0.07 0.00 0.06 0.00 0.00 34.95 31.42 3i54 s ARG 170 CO 0.03 0.02 0.08 0.08 -2.50 0.00 0.00 175.30 173.01 3i54 s VAL 171 N 1.14 3.12 -1.02 7.11 1.01 0.22 -0.72 120.40 131.26 3i54 s VAL 171 Ca 0.17 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 3i54 s VAL 171 Cb -0.14 -2.93 0.19 0.00 0.00 0.00 0.00 36.38 33.50 3i54 s VAL 171 CO 0.07 -0.33 1.14 -0.89 0.00 0.00 0.00 175.10 175.09 3i54 s THR 172 N 1.21 5.26 0.10 3.92 2.01 -1.01 -0.62 115.64 126.51 3i54 s THR 172 Ca 0.00 -2.44 0.06 0.00 0.31 0.00 0.00 61.69 59.62 3i54 s THR 172 Cb -0.21 -4.72 -0.22 0.00 0.01 0.00 0.00 72.50 67.36 3i54 s THR 172 CO -0.02 -1.38 1.20 1.12 -0.69 0.00 0.00 174.62 174.85 3i54 h HIS 173 N 7.70 0.07 -0.81 4.92 2.07 -1.80 -3.48 115.15 123.83 3i54 h HIS 173 Ca 0.20 -0.05 -0.20 0.00 -2.85 0.00 0.00 60.37 57.46 3i54 h HIS 173 Cb 0.95 -0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.88 3i54 h HIS 173 CO 1.04 1.04 -0.21 -0.25 -3.07 0.00 0.00 177.93 176.48 3i54 n ASP 174 N -3.35 -3.91 -4.58 3.10 8.00 -0.32 -5.01 116.55 110.48 3i54 n ASP 174 Ca -0.03 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 3i54 n ASP 174 Cb 0.96 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.12 39.36 3i54 n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i54 s LEU 175 N -2.49 3.08 0.89 0.64 1.43 -1.26 -4.91 118.68 116.08 3i54 s LEU 175 Ca 0.00 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3i54 s LEU 175 Cb 0.00 -1.79 0.13 0.00 0.03 0.00 0.00 46.19 44.56 3i54 s LEU 175 CO 0.00 0.26 1.10 0.42 0.23 0.00 0.00 176.35 178.37 3i54 s THR 176 N -1.02 2.53 0.16 5.49 -4.23 -1.26 -4.74 115.64 112.58 3i54 s THR 176 Ca 0.17 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 3i54 s THR 176 Cb -0.11 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3i54 s THR 176 CO 0.08 -0.23 1.80 0.06 -0.54 0.00 0.00 174.62 175.80 3i54 h GLN 177 N -1.49 0.66 -0.52 3.99 -0.00 -1.99 -0.75 115.11 115.00 3i54 h GLN 177 Ca -0.50 -0.06 0.10 0.00 -0.00 0.00 0.00 58.65 58.20 3i54 h GLN 177 Cb 1.30 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.48 28.55 3i54 h GLN 177 CO 0.58 0.47 -0.01 1.49 -0.00 0.00 0.00 178.83 181.35 3i54 h GLU 178 N 0.65 0.10 -0.48 0.06 4.57 -1.94 -1.58 114.58 115.96 3i54 h GLU 178 Ca 0.18 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3i54 h GLU 178 Cb -0.02 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3i54 h GLU 178 CO -0.03 0.07 0.01 0.93 -1.18 0.00 0.00 179.01 178.81 3i54 h GLU 179 N 0.10 0.78 -0.71 1.92 5.08 -1.62 -1.02 114.58 119.11 3i54 h GLU 179 Ca 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i54 h GLU 179 Cb 0.40 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3i54 h GLU 179 CO -0.45 0.78 0.41 0.82 -1.00 0.00 0.00 179.01 179.57 3i54 h ILE 180 N 0.73 1.21 -0.53 3.13 2.04 -0.82 -1.11 117.51 122.17 3i54 h ILE 180 Ca 0.15 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3i54 h ILE 180 Cb 0.43 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3i54 h ILE 180 CO 0.02 0.22 -0.07 0.00 0.00 0.00 0.00 178.15 178.32 3i54 h ALA 181 N 1.21 0.86 -0.09 1.87 0.00 -0.75 -0.41 119.26 121.95 3i54 h ALA 181 Ca 0.25 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3i54 h ALA 181 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i54 h ALA 181 CO -0.04 0.65 -0.16 1.96 0.00 0.00 0.00 179.25 181.66 3i54 h GLN 182 N 0.87 0.15 -0.09 0.00 4.20 -0.87 0.69 115.11 120.05 3i54 h GLN 182 Ca 0.14 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 3i54 h GLN 182 Cb 0.61 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.38 3i54 h GLN 182 CO 0.04 0.31 -0.66 1.25 -0.67 0.00 0.00 178.83 179.09 3i54 h LEU 183 N 0.14 0.74 -0.45 1.46 5.85 -0.40 -2.68 115.31 119.98 3i54 h LEU 183 Ca 0.03 -0.67 -0.08 0.00 0.84 0.00 0.00 57.88 58.00 3i54 h LEU 183 Cb 0.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3i54 h LEU 183 CO 0.02 1.30 -0.39 0.58 -0.34 0.00 0.00 178.44 179.61 3i54 h VAL 184 N 0.25 0.76 -2.26 1.05 2.07 -0.95 -3.46 116.25 113.71 3i54 h VAL 184 Ca -0.06 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 3i54 h VAL 184 Cb 1.32 2.16 0.04 0.00 -1.52 0.00 0.00 31.29 33.28 3i54 h VAL 184 CO 0.14 0.39 -0.17 0.61 0.02 0.00 0.00 177.57 178.55 3i54 n GLY 185 N 0.77 0.56 3.33 2.17 0.00 0.24 -5.00 105.19 107.26 3i54 n GLY 185 Ca 0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3i54 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i54 s ALA 186 N -3.08 1.93 0.74 4.61 0.00 -0.82 -5.03 121.76 120.11 3i54 s ALA 186 Ca 0.14 -1.77 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 3i54 s ALA 186 Cb -0.06 1.19 0.04 0.00 0.00 0.00 0.00 23.12 24.29 3i54 s ALA 186 CO 0.19 -0.53 1.12 -1.54 0.00 0.00 0.00 175.76 175.00 3i54 s SER 187 N -3.37 4.51 0.18 0.00 1.04 -1.26 -4.46 113.70 110.34 3i54 s SER 187 Ca 0.36 1.98 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 3i54 s SER 187 Cb 0.05 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.72 3i54 s SER 187 CO 0.18 -2.03 1.72 -0.09 0.98 0.00 0.00 173.24 174.00 3i54 h ARG 188 N -0.72 1.01 -0.41 4.02 2.43 -1.92 -2.29 114.38 116.51 3i54 h ARG 188 Ca -0.45 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.45 3i54 h ARG 188 Cb 1.25 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3i54 h ARG 188 CO 0.51 0.88 0.02 0.93 -1.51 0.00 0.00 179.97 180.79 3i54 h GLU 189 N 0.94 0.71 -0.78 0.20 3.07 -1.98 0.28 114.58 117.02 3i54 h GLU 189 Ca 0.21 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3i54 h GLU 189 Cb 0.28 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 3i54 h GLU 189 CO -0.01 0.79 0.45 1.15 -1.40 0.00 0.00 179.01 179.99 3i54 h THR 190 N 0.55 1.22 0.10 1.13 2.02 -1.94 -1.72 112.91 114.27 3i54 h THR 190 Ca 0.12 -0.53 -0.29 0.00 0.77 0.00 0.00 66.41 66.48 3i54 h THR 190 Cb 0.45 0.14 0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3i54 h THR 190 CO 0.02 0.24 -1.20 0.58 0.37 0.00 0.00 175.52 175.53 3i54 h VAL 191 N 1.09 1.30 -0.90 3.16 2.07 -1.06 -2.22 116.25 119.68 3i54 h VAL 191 Ca 0.28 -2.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 3i54 h VAL 191 Cb -0.01 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3i54 h VAL 191 CO -0.05 0.75 0.54 0.78 0.02 0.00 0.00 177.57 179.61 3i54 h ASN 192 N 0.28 1.08 -0.23 0.57 2.35 -0.41 -1.46 115.58 117.76 3i54 h ASN 192 Ca -0.17 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 3i54 h ASN 192 Cb 1.87 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 3i54 h ASN 192 CO 0.23 0.83 0.08 0.50 -1.65 0.00 0.00 177.43 177.42 3i54 h LYS 193 N 1.25 0.34 -0.24 0.81 3.64 -1.27 0.17 116.57 121.27 3i54 h LYS 193 Ca 0.32 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3i54 h LYS 193 Cb -0.05 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3i54 h LYS 193 CO -0.06 0.41 -0.01 0.00 -2.27 0.00 0.00 179.45 177.52 3i54 h ALA 194 N 0.91 0.21 -0.76 5.00 0.00 -1.27 -1.08 119.26 122.26 3i54 h ALA 194 Ca 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i54 h ALA 194 Cb 0.21 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3i54 h ALA 194 CO -0.00 -0.43 0.40 -0.07 0.00 0.00 0.00 179.25 179.15 3i54 h LEU 195 N 0.06 0.97 -0.78 0.00 3.38 -0.90 -2.24 115.31 115.80 3i54 h LEU 195 Ca 0.12 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3i54 h LEU 195 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3i54 h LEU 195 CO -0.20 0.80 -0.13 0.00 0.09 0.00 0.00 178.44 179.00 3i54 h ALA 196 N 1.21 0.96 0.07 1.53 0.00 -0.43 -1.92 119.26 120.69 3i54 h ALA 196 Ca 0.27 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i54 h ALA 196 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i54 h ALA 196 CO -0.04 0.61 -0.11 0.22 0.00 0.00 0.00 179.25 179.93 3i54 h ASP 197 N 0.71 -0.30 -0.93 0.00 3.58 -0.82 0.49 116.42 119.16 3i54 h ASP 197 Ca 0.12 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.62 3i54 h ASP 197 Cb 0.62 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.73 3i54 h ASP 197 CO 0.04 -0.16 0.61 -0.26 -2.88 0.00 0.00 179.24 176.59 3i54 h PHE 198 N -0.22 1.16 -0.17 0.28 0.05 -1.30 0.83 116.94 117.56 3i54 h PHE 198 Ca 0.02 0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.70 3i54 h PHE 198 Cb 0.23 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.79 3i54 h PHE 198 CO -0.14 0.72 -0.40 0.00 -0.18 0.00 0.00 178.31 178.31 3i54 h ALA 199 N 1.43 0.28 -0.13 2.45 0.00 -1.15 -1.05 119.26 121.08 3i54 h ALA 199 Ca 0.35 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i54 h ALA 199 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i54 h ALA 199 CO -0.08 0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.78 3i54 h HIS 200 N 0.22 0.19 -0.11 0.00 -0.00 0.52 -1.66 115.15 114.32 3i54 h HIS 200 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3i54 h HIS 200 Cb 1.01 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 3i54 h HIS 200 CO 0.10 0.22 0.00 0.54 -0.00 0.00 0.00 177.93 178.78 3i54 n ARG 201 N -4.41 1.43 -1.03 5.26 1.74 0.24 -4.92 116.66 114.98 3i54 n ARG 201 Ca -0.01 -0.65 -0.01 0.00 -0.77 0.00 0.00 57.85 56.41 3i54 n ARG 201 Cb 0.17 -1.33 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3i54 n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i54 n GLY 202 N 0.98 0.49 0.12 -0.13 0.00 -0.62 -4.93 105.19 101.08 3i54 n GLY 202 Ca 0.14 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 3i54 n GLY 202 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i54 h TRP 203 N 0.00 0.52 -3.81 1.61 6.55 -1.41 -3.40 115.95 116.01 3i54 h TRP 203 Ca -0.02 -0.38 -0.29 0.00 0.95 0.00 0.00 58.89 59.15 3i54 h TRP 203 Cb 0.14 -0.02 -0.15 0.00 -0.86 0.00 0.00 29.16 28.28 3i54 h TRP 203 CO 0.08 1.38 -0.65 0.96 -1.05 0.00 0.00 178.44 179.16 3i54 s ILE 204 N -2.62 0.63 -0.05 1.49 -4.36 -1.20 -0.65 121.20 114.43 3i54 s ILE 204 Ca -0.08 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3i54 s ILE 204 Cb 0.07 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.58 3i54 s ILE 204 CO 0.87 -0.39 -0.09 -0.13 0.24 0.00 0.00 174.94 175.43 3i54 s ARG 205 N -3.94 1.26 -0.35 0.37 0.52 0.48 -4.25 118.95 113.04 3i54 s ARG 205 Ca 0.26 -0.31 -0.20 0.00 -0.52 0.00 0.00 55.73 54.97 3i54 s ARG 205 Cb 0.06 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.42 3i54 s ARG 205 CO 0.06 0.03 0.59 -0.51 0.02 0.00 0.00 175.30 175.49 3i54 s LEU 206 N 0.58 4.30 -0.37 2.53 1.43 -1.26 -0.74 118.68 125.14 3i54 s LEU 206 Ca -0.10 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3i54 s LEU 206 Cb -0.13 -2.71 0.13 0.00 0.03 0.00 0.00 46.19 43.51 3i54 s LEU 206 CO 0.02 -0.55 0.21 -1.61 0.23 0.00 0.00 176.35 174.64 3i54 s GLU 207 N 2.59 0.75 4.74 1.70 2.02 -0.84 -5.03 118.70 124.63 3i54 s GLU 207 Ca 0.22 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.74 3i54 s GLU 207 Cb -0.15 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.46 3i54 s GLU 207 CO 0.14 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.66 3i54 n GLY 208 N 4.00 1.73 2.14 -1.39 0.00 -1.26 -2.58 105.19 107.83 3i54 n GLY 208 Ca 0.09 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3i54 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i54 n LYS 209 N 5.98 2.05 -3.85 1.61 5.02 -1.26 -4.82 118.16 122.89 3i54 n LYS 209 Ca 0.00 -1.55 -0.12 0.00 -2.02 0.00 0.00 58.31 54.62 3i54 n LYS 209 Cb 0.00 -1.91 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 3i54 n LYS 209 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i54 s SER 210 N 1.05 -0.02 -0.11 4.39 1.04 -1.06 -1.18 113.70 117.80 3i54 s SER 210 Ca 0.52 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.82 3i54 s SER 210 Cb 0.31 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 3i54 s SER 210 CO -0.09 -0.38 -0.10 -0.69 0.98 0.00 0.00 173.24 172.96 3i54 s VAL 211 N -1.33 3.35 -0.32 5.02 1.01 0.21 -1.99 120.40 126.35 3i54 s VAL 211 Ca -0.14 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3i54 s VAL 211 Cb -0.07 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3i54 s VAL 211 CO 0.02 0.54 0.25 -0.22 0.00 0.00 0.00 175.10 175.69 3i54 s LEU 212 N -0.03 4.34 -0.52 3.92 1.98 0.08 0.70 118.68 129.14 3i54 s LEU 212 Ca -0.02 -0.24 -0.18 0.00 -2.89 0.00 0.00 54.13 50.80 3i54 s LEU 212 Cb -0.14 -2.18 0.07 0.00 0.66 0.00 0.00 46.19 44.61 3i54 s LEU 212 CO 0.03 -0.19 0.60 -0.63 -1.89 0.00 0.00 176.35 174.27 3i54 s ILE 213 N 1.80 4.93 -0.44 6.68 1.01 0.27 -0.39 121.20 135.06 3i54 s ILE 213 Ca 0.08 -0.74 0.23 0.00 0.00 0.00 0.00 60.65 60.22 3i54 s ILE 213 Cb -0.17 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 3i54 s ILE 213 CO 0.11 -0.85 1.04 -1.54 0.00 0.00 0.00 174.94 173.70 3i54 n SER 214 N 6.02 0.65 -3.44 3.58 3.41 0.18 -1.63 113.62 122.38 3i54 n SER 214 Ca -0.08 0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.29 3i54 n SER 214 Cb 0.44 0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 64.95 3i54 n SER 214 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i54 s ASP 215 N -4.49 2.37 0.26 4.04 -1.08 -0.63 -4.91 116.67 112.23 3i54 s ASP 215 Ca 0.02 -2.57 0.10 0.00 -0.52 0.00 0.00 52.55 49.58 3i54 s ASP 215 Cb 0.13 -0.44 0.31 0.00 -1.46 0.00 0.00 42.92 41.45 3i54 s ASP 215 CO 0.79 -0.25 1.58 0.77 0.52 0.00 0.00 175.17 178.58 3i54 h SER 216 N 6.43 0.00 0.09 -0.34 4.64 -1.84 -1.40 113.55 121.14 3i54 h SER 216 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3i54 h SER 216 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3i54 h SER 216 CO 0.32 0.65 -0.09 -0.33 -0.87 0.00 0.00 176.83 176.51 3i54 h GLU 217 N 0.00 -0.19 -0.40 4.77 3.07 -1.98 0.40 114.58 120.23 3i54 h GLU 217 Ca -0.01 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 3i54 h GLU 217 Cb 1.16 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 3i54 h GLU 217 CO 0.08 -0.13 0.10 0.00 -1.40 0.00 0.00 179.01 177.66 3i54 h ARG 218 N -0.20 0.65 -0.95 2.33 3.08 -1.96 -1.64 114.38 115.68 3i54 h ARG 218 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3i54 h ARG 218 Cb 0.19 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3i54 h ARG 218 CO -0.02 0.67 0.61 1.25 -1.07 0.00 0.00 179.97 181.41 3i54 h LEU 219 N 0.51 1.11 -0.66 3.04 5.85 -1.05 -2.68 115.31 121.43 3i54 h LEU 219 Ca 0.13 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3i54 h LEU 219 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3i54 h LEU 219 CO 0.00 0.82 0.31 0.00 -0.34 0.00 0.00 178.44 179.23 3i54 h ALA 220 N 1.34 0.86 0.00 1.25 0.00 -0.07 -2.33 119.26 120.30 3i54 h ALA 220 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i54 h ALA 220 Cb -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3i54 h ALA 220 CO -0.07 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3i54 h ARG 221 N 0.92 0.00 0.00 0.00 3.08 -1.09 -2.48 114.38 114.81 3i54 h ARG 221 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3i54 h ARG 221 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3i54 h ARG 221 CO -0.03 0.00 -1.15 -2.13 -1.07 0.00 0.00 179.97 175.59 3i54 n ARG 222 N -3.05 0.61 0.00 0.04 3.00 -0.91 -5.10 116.66 111.25 3i54 n ARG 222 Ca -0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3i54 n ARG 222 Cb 0.16 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 30.82 3i54 n ARG 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63