#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3s n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.19 113.62 113.60 1n3s n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3s n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3s n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 3 N 0.00 0.00 -4.08 2.46 4.77 -1.26 -4.95 117.00 113.94 1n3s n LEU 3 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1n3s n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3s n LEU 3 CO 0.00 0.00 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.14 1n3s s SER 4 N 1.00 0.62 0.05 -1.43 0.15 -1.26 -5.08 113.70 107.75 1n3s s SER 4 Ca 0.00 -0.87 -0.28 0.00 0.70 0.00 0.00 55.95 55.50 1n3s s SER 4 Cb 0.00 0.14 -0.17 0.00 -1.71 0.00 0.00 66.02 64.28 1n3s s SER 4 CO 0.00 -0.48 1.49 0.11 1.20 0.00 0.00 173.24 175.57 1n3s h LYS 5 N 3.52 -0.55 0.00 5.44 1.57 -1.99 -1.88 116.57 122.67 1n3s h LYS 5 Ca -0.34 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 1n3s h LYS 5 Cb 1.16 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1n3s h LYS 5 CO 0.59 -0.30 -0.38 0.93 -0.57 0.00 0.00 179.45 179.72 1n3s h GLU 6 N -0.70 0.00 -0.33 3.15 3.07 -1.98 -2.42 114.58 115.37 1n3s h GLU 6 Ca -0.06 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1n3s h GLU 6 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1n3s h GLU 6 CO 0.10 0.38 -0.35 0.00 -1.40 0.00 0.00 179.01 177.73 1n3s h ALA 7 N 1.62 0.76 -0.25 3.43 0.00 -1.90 -2.79 119.26 120.13 1n3s h ALA 7 Ca -0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1n3s h ALA 7 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n3s h ALA 7 CO 0.05 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.41 1n3s h ALA 8 N 0.98 0.40 -0.58 0.00 0.00 -1.03 -1.59 119.26 117.45 1n3s h ALA 8 Ca 0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1n3s h ALA 8 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1n3s h ALA 8 CO 0.08 0.62 0.09 -0.07 0.00 0.00 0.00 179.25 179.96 1n3s h LEU 9 N 0.57 0.90 -0.03 0.00 3.38 -1.42 -1.39 115.31 117.31 1n3s h LEU 9 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1n3s h LEU 9 Cb 1.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1n3s h LEU 9 CO 0.12 0.91 -0.05 0.58 0.09 0.00 0.00 178.44 180.08 1n3s h VAL 10 N 0.89 1.42 -0.13 1.22 2.07 -1.52 -2.57 116.25 117.62 1n3s h VAL 10 Ca 0.18 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.43 1n3s h VAL 10 Cb 0.40 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 1n3s h VAL 10 CO 0.01 0.35 -0.33 -0.74 0.02 0.00 0.00 177.57 176.88 1n3s h HIS 11 N -0.41 -0.92 0.00 1.57 -0.00 -1.16 -0.82 115.15 113.40 1n3s h HIS 11 Ca 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1n3s h HIS 11 Cb 0.60 0.43 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 1n3s h HIS 11 CO 0.11 -0.41 -0.18 0.93 -0.00 0.00 0.00 177.93 178.38 1n3s h GLU 12 N -0.41 0.00 0.00 5.26 5.08 -1.34 -1.00 114.58 122.16 1n3s h GLU 12 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1n3s h GLU 12 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1n3s h GLU 12 CO -0.36 0.18 -0.79 0.00 -1.00 0.00 0.00 179.01 177.04 1n3s h ALA 13 N 1.82 0.66 0.16 3.43 0.00 -0.94 -2.21 119.26 122.19 1n3s h ALA 13 Ca -0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 54.91 53.89 1n3s h ALA 13 Cb 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n3s h ALA 13 CO 0.02 0.99 -1.35 -0.07 0.00 0.00 0.00 179.25 178.84 1n3s h LEU 14 N 0.00 0.52 -0.58 0.00 3.38 -0.45 -3.20 115.31 114.98 1n3s h LEU 14 Ca -0.01 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1n3s h LEU 14 Cb 1.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1n3s h LEU 14 CO 0.10 1.46 0.18 0.58 0.09 0.00 0.00 178.44 180.86 1n3s h VAL 15 N 0.09 1.24 0.00 1.22 2.07 -1.19 0.83 116.25 120.51 1n3s h VAL 15 Ca -0.18 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1n3s h VAL 15 Cb 2.03 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1n3s h VAL 15 CO 0.21 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 178.09 1n3s h ALA 16 N 1.05 1.13 -0.01 1.67 0.00 -1.48 -1.70 119.26 119.92 1n3s h ALA 16 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n3s h ALA 16 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1n3s h ALA 16 CO -0.01 0.03 -0.44 0.54 0.00 0.00 0.00 179.25 179.37 1n3s n ARG 17 N -3.30 1.71 -1.74 0.00 3.00 -0.97 -4.99 116.66 110.37 1n3s n ARG 17 Ca -0.02 -0.61 -0.04 0.00 -0.01 0.00 0.00 57.85 57.17 1n3s n ARG 17 Cb 0.15 -1.27 -0.01 0.00 0.00 0.00 0.00 32.46 31.33 1n3s n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3s n GLY 18 N 1.22 0.38 0.09 -0.13 0.00 -0.47 -4.93 105.19 101.34 1n3s n GLY 18 Ca 0.06 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1n3s n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3s n LEU 19 N -0.60 0.88 -3.44 0.99 4.77 0.16 -4.86 117.00 114.91 1n3s n LEU 19 Ca -0.05 -0.26 0.01 0.00 -0.03 0.00 0.00 56.01 55.68 1n3s n LEU 19 Cb 0.40 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1n3s n LEU 19 CO 0.06 0.20 0.45 -1.61 -1.33 0.00 0.00 177.39 175.16 1n3s s GLU 20 N -2.86 0.40 -0.20 3.23 2.02 -1.22 -4.97 118.70 115.10 1n3s s GLU 20 Ca 0.13 0.97 -0.13 0.00 0.02 0.00 0.00 54.97 55.96 1n3s s GLU 20 Cb 0.17 0.58 -0.05 0.00 0.10 0.00 0.00 34.13 34.94 1n3s s GLU 20 CO 0.70 -0.19 0.25 0.99 0.02 0.00 0.00 175.26 177.03 1n3s s THR 21 N 2.68 5.31 0.00 3.63 2.01 -1.26 -3.62 115.64 124.39 1n3s s THR 21 Ca -0.01 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1n3s s THR 21 Cb -0.09 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1n3s s THR 21 CO -0.18 0.35 0.00 -0.81 -0.69 0.00 0.00 174.62 173.29 1n3s n PRO 22 N 4.03 0.00 -2.20 4.92 -0.04 -1.26 -5.02 135.00 135.43 1n3s n PRO 22 Ca -0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1n3s n PRO 22 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1n3s n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n3s s LEU 23 N 0.00 3.50 -0.35 1.53 1.43 -1.26 -5.04 118.68 118.50 1n3s s LEU 23 Ca 0.00 1.58 -0.26 0.00 -1.03 0.00 0.00 54.13 54.42 1n3s s LEU 23 Cb 0.00 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1n3s s LEU 23 CO 0.00 -0.78 0.93 -0.13 0.23 0.00 0.00 176.35 176.60 1n3s s ARG 24 N -4.33 3.91 -0.52 1.70 0.52 -1.26 -5.04 118.95 113.92 1n3s s ARG 24 Ca 0.59 0.67 0.04 0.00 -0.52 0.00 0.00 55.73 56.51 1n3s s ARG 24 Cb -0.11 -3.78 0.13 0.00 0.52 0.00 0.00 34.95 31.71 1n3s s ARG 24 CO 0.38 -0.89 0.27 -1.25 0.02 0.00 0.00 175.30 173.83 1n3s s PRO 25 N 3.40 1.97 0.00 3.54 0.05 -1.26 -4.95 135.00 137.76 1n3s s PRO 25 Ca 0.38 -2.63 0.07 0.00 0.05 0.00 0.00 61.00 58.87 1n3s s PRO 25 Cb -0.12 -3.29 0.43 0.00 0.05 0.00 0.00 34.50 31.57 1n3s s PRO 25 CO 0.17 -1.12 1.08 -0.35 0.05 0.00 0.00 177.00 176.83 1n3s n PRO 26 N 3.08 0.77 0.00 0.56 -0.04 -1.26 -4.86 135.00 133.24 1n3s n PRO 26 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1n3s n PRO 26 Cb 0.32 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1n3s n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n3s n VAL 27 N -0.65 0.00 -3.78 0.52 0.31 -1.26 -4.88 118.33 108.59 1n3s n VAL 27 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 1n3s n VAL 27 Cb 0.02 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.89 1n3s n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1n3s s HIS 28 N -1.39 0.03 -0.00 3.52 3.76 -1.26 -5.01 115.29 114.94 1n3s s HIS 28 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1n3s s HIS 28 Cb 0.00 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.74 1n3s s HIS 28 CO 0.00 -0.59 1.00 0.39 -0.85 0.00 0.00 174.74 174.69 1n3s n GLU 29 N -0.10 1.00 -1.35 1.40 1.02 -1.26 -4.93 120.64 116.43 1n3s n GLU 29 Ca -0.15 -0.01 -0.53 0.00 -0.02 0.00 0.00 57.16 56.45 1n3s n GLU 29 Cb 0.63 -1.00 -0.07 0.00 -0.02 0.00 0.00 31.44 30.97 1n3s n GLU 29 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1n3s n MET 30 N 0.50 0.00 -2.18 3.49 1.56 -1.26 -4.90 117.12 114.32 1n3s n MET 30 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 1n3s n MET 30 Cb 0.50 -1.34 -0.03 0.00 2.15 0.00 0.00 33.22 34.51 1n3s n MET 30 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1n3s s ASP 31 N -0.02 6.86 0.30 6.12 2.15 -1.26 -4.94 116.67 125.87 1n3s s ASP 31 Ca 0.81 2.48 -0.01 0.00 0.43 0.00 0.00 52.55 56.27 1n3s s ASP 31 Cb -1.14 -2.62 0.45 0.00 -0.30 0.00 0.00 42.92 39.31 1n3s s ASP 31 CO 0.51 -0.53 1.89 -1.13 -0.17 0.00 0.00 175.17 175.74 1n3s h ASN 32 N 4.88 0.81 1.23 -0.34 -1.24 -2.01 -2.35 115.58 116.57 1n3s h ASN 32 Ca -0.46 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.46 1n3s h ASN 32 Cb 1.22 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1n3s h ASN 32 CO 0.75 0.71 0.00 -0.33 -1.29 0.00 0.00 177.43 177.26 1n3s h GLU 33 N 0.89 0.00 0.20 6.67 5.08 -2.00 -2.90 114.58 122.52 1n3s h GLU 33 Ca 0.22 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.26 1n3s h GLU 33 Cb 0.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 1n3s h GLU 33 CO -0.03 0.00 -1.45 1.15 -1.00 0.00 0.00 179.01 177.68 1n3s h THR 34 N 0.00 1.29 -0.42 1.13 2.02 -1.82 -3.04 112.91 112.07 1n3s h THR 34 Ca 0.00 -2.79 -0.07 0.00 0.77 0.00 0.00 66.41 64.32 1n3s h THR 34 Cb 0.62 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 1n3s h THR 34 CO 0.00 0.84 -0.01 0.03 0.37 0.00 0.00 175.52 176.75 1n3s h ARG 35 N 0.12 0.69 -0.27 6.66 3.08 -1.33 -2.03 114.38 121.29 1n3s h ARG 35 Ca -0.23 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 1n3s h ARG 35 Cb 2.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 1n3s h ARG 35 CO 0.24 0.71 -0.04 0.87 -1.07 0.00 0.00 179.97 180.68 1n3s h LYS 36 N 0.65 0.51 -0.14 0.04 1.57 -1.60 -1.71 116.57 115.89 1n3s h LYS 36 Ca 0.13 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1n3s h LYS 36 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1n3s h LYS 36 CO 0.02 0.70 -0.32 0.66 -0.57 0.00 0.00 179.45 179.94 1n3s h SER 37 N 0.27 0.27 -0.05 0.86 4.64 -1.38 0.27 113.55 118.43 1n3s h SER 37 Ca 0.07 -0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 1n3s h SER 37 Cb 0.50 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1n3s h SER 37 CO 0.02 0.58 -0.89 -0.07 -0.87 0.00 0.00 176.83 175.61 1n3s h LEU 38 N 0.24 0.88 -0.50 5.97 3.38 -1.35 -0.75 115.31 123.18 1n3s h LEU 38 Ca 0.03 -0.70 -0.16 0.00 0.09 0.00 0.00 57.88 57.14 1n3s h LEU 38 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n3s h LEU 38 CO 0.05 1.45 -0.53 0.40 0.09 0.00 0.00 178.44 179.90 1n3s h ILE 39 N 0.38 1.31 -0.61 1.22 2.04 -1.17 -1.47 117.51 119.21 1n3s h ILE 39 Ca -0.10 -1.76 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 1n3s h ILE 39 Cb 1.54 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 1n3s h ILE 39 CO 0.18 0.55 0.12 0.00 0.00 0.00 0.00 178.15 179.00 1n3s h ALA 40 N 0.94 1.06 -0.31 1.87 0.00 -0.94 -0.07 119.26 121.80 1n3s h ALA 40 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1n3s h ALA 40 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1n3s h ALA 40 CO 0.10 0.61 -0.19 0.78 0.00 0.00 0.00 179.25 180.56 1n3s h GLY 41 N 1.03 0.61 1.88 0.00 0.00 -0.81 -1.22 103.07 104.56 1n3s h GLY 41 Ca 0.19 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1n3s h GLY 41 CO 0.01 0.43 -0.90 0.45 0.00 0.00 0.00 176.54 176.53 1n3s h HIS 42 N 0.51 0.16 0.00 5.60 -0.00 -0.81 -3.01 115.15 117.59 1n3s h HIS 42 Ca 0.08 -0.10 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 1n3s h HIS 42 Cb 0.61 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1n3s h HIS 42 CO 0.02 0.94 -0.60 0.52 -0.00 0.00 0.00 177.93 178.82 1n3s h MET 43 N 0.05 0.00 -0.55 2.45 2.86 -0.80 -2.66 114.93 116.28 1n3s h MET 43 Ca -0.03 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1n3s h MET 43 Cb 1.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 1n3s h MET 43 CO 0.13 0.60 0.01 1.15 1.06 0.00 0.00 176.91 179.86 1n3s h THR 44 N 0.00 1.26 -0.21 2.22 2.02 -1.20 -1.73 112.91 115.26 1n3s h THR 44 Ca -0.01 -1.07 -0.19 0.00 0.77 0.00 0.00 66.41 65.92 1n3s h THR 44 Cb 1.29 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1n3s h THR 44 CO 0.08 0.39 -0.61 -0.33 0.37 0.00 0.00 175.52 175.41 1n3s h GLU 45 N 0.87 0.71 -0.47 6.66 4.39 -1.43 -2.70 114.58 122.60 1n3s h GLU 45 Ca 0.16 -0.49 -0.06 0.00 0.34 0.00 0.00 59.36 59.32 1n3s h GLU 45 Cb 0.50 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1n3s h GLU 45 CO 0.02 1.11 0.06 0.82 -1.16 0.00 0.00 179.01 179.87 1n3s h ILE 46 N 0.53 1.25 0.00 3.13 2.04 -1.20 -2.14 117.51 121.12 1n3s h ILE 46 Ca -0.01 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1n3s h ILE 46 Cb 1.20 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1n3s h ILE 46 CO 0.12 0.33 -0.37 0.24 0.00 0.00 0.00 178.15 178.48 1n3s h MET 47 N 0.65 0.00 0.00 2.37 2.86 -1.35 -2.41 114.93 117.05 1n3s h MET 47 Ca 0.14 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 1n3s h MET 47 Cb 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1n3s h MET 47 CO 0.01 0.37 -0.62 1.96 1.06 0.00 0.00 176.91 179.69 1n3s h GLN 48 N 0.00 0.00 -0.00 1.72 4.20 -1.24 -1.84 115.11 117.95 1n3s h GLN 48 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n3s h GLN 48 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1n3s h GLN 48 CO 0.05 0.62 -0.04 1.28 -0.67 0.00 0.00 178.83 180.07 1n3s n LEU 49 N -3.49 0.22 -0.57 1.46 4.77 -0.83 -2.79 117.00 115.77 1n3s n LEU 49 Ca 0.00 0.11 0.05 0.00 -0.03 0.00 0.00 56.01 56.14 1n3s n LEU 49 Cb 0.69 -0.19 0.13 0.00 -2.33 0.00 0.00 43.42 41.73 1n3s n LEU 49 CO 0.41 0.04 0.61 0.18 -1.33 0.00 0.00 177.39 177.30 1n3s n LEU 50 N -1.07 2.78 -3.25 2.23 4.77 -1.06 -5.00 117.00 116.40 1n3s n LEU 50 Ca 0.16 -1.94 -0.22 0.00 -0.03 0.00 0.00 56.01 53.98 1n3s n LEU 50 Cb 0.23 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1n3s n LEU 50 CO 0.22 0.69 0.19 0.59 -1.33 0.00 0.00 177.39 177.75 1n3s n ASN 51 N 0.43 -6.01 -4.72 -1.43 3.02 -1.12 -5.02 115.26 100.42 1n3s n ASN 51 Ca 0.10 -0.45 -0.36 0.00 -0.03 0.00 0.00 54.58 53.84 1n3s n ASN 51 Cb 0.40 -4.67 -0.08 0.00 -0.61 0.00 0.00 39.78 34.82 1n3s n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3s s LEU 52 N -6.70 4.21 -0.44 3.41 1.43 -0.71 -5.04 118.68 114.83 1n3s s LEU 52 Ca 0.49 0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1n3s s LEU 52 Cb -0.22 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1n3s s LEU 52 CO 0.61 0.12 1.72 -0.62 0.23 0.00 0.00 176.35 178.41 1n3s s ASP 53 N 0.52 5.81 0.00 2.29 2.15 -1.26 -4.59 116.67 121.58 1n3s s ASP 53 Ca 0.12 0.87 0.31 0.00 0.43 0.00 0.00 52.55 54.27 1n3s s ASP 53 Cb -0.12 -2.53 1.61 0.00 -0.30 0.00 0.00 42.92 41.58 1n3s s ASP 53 CO 0.01 -1.85 2.07 0.18 -0.17 0.00 0.00 175.17 175.41 1n3s n LEU 54 N 10.68 0.34 0.06 -1.34 4.77 -1.26 -3.22 117.00 127.03 1n3s n LEU 54 Ca 0.20 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1n3s n LEU 54 Cb 0.49 -0.06 0.40 0.00 -2.33 0.00 0.00 43.42 41.91 1n3s n LEU 54 CO 0.70 0.06 0.75 0.00 -1.33 0.00 0.00 177.39 177.56 1n3s n ALA 55 N -0.82 2.57 -2.26 -1.18 0.00 -1.26 -4.25 120.51 113.32 1n3s n ALA 55 Ca 0.21 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1n3s n ALA 55 Cb 0.19 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1n3s n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n3s s ASP 56 N -3.90 7.03 0.00 0.00 2.15 -1.20 -4.93 116.67 115.83 1n3s s ASP 56 Ca 0.11 2.14 0.07 0.00 0.43 0.00 0.00 52.55 55.30 1n3s s ASP 56 Cb 0.15 -2.59 0.40 0.00 -0.30 0.00 0.00 42.92 40.58 1n3s s ASP 56 CO 0.62 -0.47 0.82 -0.90 -0.17 0.00 0.00 175.17 175.07 1n3s n ASP 57 N 3.47 0.00 -0.05 -0.34 5.75 -1.26 -2.16 116.55 121.96 1n3s n ASP 57 Ca 0.08 -0.28 -0.07 0.00 -0.01 0.00 0.00 54.79 54.51 1n3s n ASP 57 Cb 0.45 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 1n3s n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3s n SER 58 N -0.93 3.20 0.01 -1.12 2.88 -1.26 -4.59 113.62 111.81 1n3s n SER 58 Ca 0.05 -0.06 0.14 0.00 -1.33 0.00 0.00 58.87 57.67 1n3s n SER 58 Cb 0.02 -0.16 0.60 0.00 -0.75 0.00 0.00 64.21 63.93 1n3s n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 59 N -2.80 0.05 -0.10 2.46 4.77 -1.13 -3.60 117.00 116.64 1n3s n LEU 59 Ca -0.18 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1n3s n LEU 59 Cb 0.69 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1n3s n LEU 59 CO 0.10 -0.01 0.60 -0.03 -1.33 0.00 0.00 177.39 176.72 1n3s h MET 60 N 0.00 0.86 -0.01 3.23 4.05 -1.61 -3.10 114.93 118.35 1n3s h MET 60 Ca 0.00 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1n3s h MET 60 Cb 0.51 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1n3s h MET 60 CO 0.00 1.06 -0.12 0.39 0.23 0.00 0.00 176.91 178.47 1n3s n GLU 61 N -4.07 1.20 -0.20 0.39 -0.58 -1.24 -4.33 120.64 111.81 1n3s n GLU 61 Ca -0.01 -0.67 -0.08 0.00 -0.42 0.00 0.00 57.16 55.98 1n3s n GLU 61 Cb 0.51 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.91 1n3s n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3s h THR 62 N 1.63 1.25 -0.02 2.62 2.02 -1.66 -2.51 112.91 116.23 1n3s h THR 62 Ca 0.00 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1n3s h THR 62 Cb 0.48 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1n3s h THR 62 CO 0.00 0.34 -0.34 -0.65 0.37 0.00 0.00 175.52 175.23 1n3s h PRO 63 N 0.82 0.04 -0.32 6.66 0.11 -1.77 -2.06 132.00 135.48 1n3s h PRO 63 Ca 0.18 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1n3s h PRO 63 Cb 0.36 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1n3s h PRO 63 CO 0.00 0.38 -0.32 1.25 -0.21 0.00 0.00 178.00 179.11 1n3s h HIS 64 N 0.04 0.80 -0.01 0.65 -0.00 -1.80 -2.39 115.15 112.44 1n3s h HIS 64 Ca 0.00 -0.21 -0.22 0.00 -0.00 0.00 0.00 60.37 59.94 1n3s h HIS 64 Cb 0.62 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1n3s h HIS 64 CO 0.00 0.92 -0.92 0.00 -0.00 0.00 0.00 177.93 177.93 1n3s h ARG 65 N 0.59 0.41 -0.09 5.26 3.08 -1.15 -2.06 114.38 120.40 1n3s h ARG 65 Ca 0.07 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.56 1n3s h ARG 65 Cb 0.83 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1n3s h ARG 65 CO 0.07 1.09 -0.50 0.82 -1.07 0.00 0.00 179.97 180.39 1n3s h ILE 66 N 0.24 1.34 -0.18 2.04 2.04 -1.36 -1.65 117.51 119.97 1n3s h ILE 66 Ca -0.07 -1.73 -0.08 0.00 1.00 0.00 0.00 64.86 63.97 1n3s h ILE 66 Cb 1.55 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1n3s h ILE 66 CO 0.16 0.52 -0.19 0.00 0.00 0.00 0.00 178.15 178.63 1n3s h ALA 67 N 1.28 0.27 0.00 1.87 0.00 -1.42 -2.13 119.26 119.14 1n3s h ALA 67 Ca 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1n3s h ALA 67 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1n3s h ALA 67 CO 0.08 0.20 -0.25 -0.22 0.00 0.00 0.00 179.25 179.05 1n3s h LYS 68 N 0.11 0.00 -0.02 0.00 3.11 -1.24 -2.13 116.57 116.41 1n3s h LYS 68 Ca 0.03 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 1n3s h LYS 68 Cb 0.74 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1n3s h LYS 68 CO 0.05 0.25 -0.44 1.98 -2.81 0.00 0.00 179.45 178.48 1n3s h MET 69 N 0.00 0.32 -0.22 1.90 4.05 -1.21 -2.10 114.93 117.67 1n3s h MET 69 Ca -0.00 -0.33 -0.13 0.00 -0.28 0.00 0.00 59.70 58.96 1n3s h MET 69 Cb 0.51 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1n3s h MET 69 CO 0.03 1.01 -0.41 1.88 0.23 0.00 0.00 176.91 179.65 1n3s h TYR 70 N -0.23 0.63 0.10 1.39 0.05 -1.19 0.08 116.97 117.79 1n3s h TYR 70 Ca -0.05 -0.19 -0.36 0.00 0.05 0.00 0.00 58.73 58.19 1n3s h TYR 70 Cb 1.15 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 1n3s h TYR 70 CO 0.15 0.86 -1.98 0.28 -1.05 0.00 0.00 178.16 176.42 1n3s n VAL 71 N -4.02 1.73 0.07 -2.88 0.31 -0.82 -4.20 118.33 108.52 1n3s n VAL 71 Ca -0.02 -0.58 0.06 0.00 -0.01 0.00 0.00 64.34 63.79 1n3s n VAL 71 Cb 0.52 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 1n3s n VAL 71 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n3s n ASP 72 N -3.57 1.84 0.00 4.52 8.00 -0.80 -4.79 116.55 121.75 1n3s n ASP 72 Ca -0.34 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1n3s n ASP 72 Cb 1.00 1.52 0.00 0.00 -0.02 0.00 0.00 41.12 43.62 1n3s n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3s n GLU 73 N -1.86 0.00 0.17 -1.24 1.02 -1.04 -4.74 120.64 112.95 1n3s n GLU 73 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 1n3s n GLU 73 Cb 0.32 -0.07 0.51 0.00 -0.02 0.00 0.00 31.44 32.18 1n3s n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3s h ILE 74 N 0.00 0.00 -0.09 -3.67 3.07 -1.28 -3.17 117.51 112.38 1n3s h ILE 74 Ca 0.00 -0.37 -0.05 0.00 1.55 0.00 0.00 64.86 65.98 1n3s h ILE 74 Cb 0.00 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 37.74 1n3s h ILE 74 CO 0.00 0.00 -0.44 0.49 -1.05 0.00 0.00 178.15 177.15 1n3s n PHE 75 N -2.50 0.28 0.27 0.16 3.72 -1.26 -3.07 117.46 115.05 1n3s n PHE 75 Ca 0.02 -1.55 0.13 0.00 -0.05 0.00 0.00 57.45 56.01 1n3s n PHE 75 Cb 0.29 -0.30 0.73 0.00 -0.94 0.00 0.00 39.48 39.27 1n3s n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3s h SER 76 N 1.04 0.00 0.00 4.37 4.64 -1.52 -2.75 113.55 119.34 1n3s h SER 76 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n3s h SER 76 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1n3s h SER 76 CO 0.09 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1n3s n GLY 77 N -0.63 -0.75 0.11 -0.77 0.00 0.48 -2.73 105.19 100.90 1n3s n GLY 77 Ca -0.02 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1n3s n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 78 N 0.00 0.00 -8.47 0.99 3.38 -1.61 -3.43 115.31 106.16 1n3s h LEU 78 Ca 0.00 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.24 1n3s h LEU 78 Cb 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 1n3s h LEU 78 CO 0.00 0.03 -0.63 -0.62 0.09 0.00 0.00 178.44 177.31 1n3s s ASP 79 N -4.74 5.06 0.00 -0.43 2.15 -1.11 -4.99 116.67 112.62 1n3s s ASP 79 Ca 0.08 -0.52 0.07 0.00 0.43 0.00 0.00 52.55 52.61 1n3s s ASP 79 Cb 0.11 -1.88 0.45 0.00 -0.30 0.00 0.00 42.92 41.30 1n3s s ASP 79 CO 0.65 -0.13 0.90 -1.22 -0.17 0.00 0.00 175.17 175.21 1n3s n TYR 80 N 4.88 0.00 0.25 -5.34 4.02 -1.26 -1.78 117.16 117.93 1n3s n TYR 80 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.86 1n3s n TYR 80 Cb 0.49 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.92 1n3s n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s h ALA 81 N 2.47 0.69 -0.05 -0.72 0.00 -1.92 -3.15 119.26 116.58 1n3s h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3s h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n3s h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1n3s n ASN 82 N -2.68 1.67 -4.74 0.00 3.02 -0.74 -4.93 115.26 106.87 1n3s n ASN 82 Ca 0.02 -1.58 -0.42 0.00 -0.03 0.00 0.00 54.58 52.57 1n3s n ASN 82 Cb 0.52 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 1n3s n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3s s PHE 83 N -1.95 3.00 0.51 3.10 5.36 -1.19 -4.95 117.98 121.85 1n3s s PHE 83 Ca 0.36 0.86 -0.23 0.00 -0.96 0.00 0.00 56.93 56.97 1n3s s PHE 83 Cb 0.20 -3.89 -0.06 0.00 -0.34 0.00 0.00 43.02 38.93 1n3s s PHE 83 CO 0.32 -3.03 1.30 -0.35 -1.46 0.00 0.00 175.22 172.00 1n3s n PRO 84 N 2.86 1.71 -2.42 10.12 -0.04 -1.26 -4.93 135.00 141.04 1n3s n PRO 84 Ca 0.09 0.62 -0.39 0.00 -0.04 0.00 0.00 63.50 63.79 1n3s n PRO 84 Cb 0.39 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1n3s n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3s s LYS 85 N -2.65 3.21 0.13 0.54 1.02 -1.26 -4.92 119.74 115.82 1n3s s LYS 85 Ca 0.68 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 1n3s s LYS 85 Cb -0.44 -4.87 -0.09 0.00 -0.52 0.00 0.00 37.83 31.91 1n3s s LYS 85 CO 0.52 -2.43 1.46 0.42 -0.92 0.00 0.00 175.35 174.41 1n3s s ILE 86 N 6.42 3.04 -0.17 2.17 -1.09 -1.26 -5.03 121.20 125.28 1n3s s ILE 86 Ca 0.49 0.74 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1n3s s ILE 86 Cb -0.05 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1n3s s ILE 86 CO 0.02 0.06 -0.19 0.42 -1.23 0.00 0.00 174.94 174.02 1n3s s THR 87 N 1.18 1.95 -0.14 2.92 -4.23 -1.26 -5.08 115.64 110.97 1n3s s THR 87 Ca 0.67 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1n3s s THR 87 Cb -0.39 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1n3s s THR 87 CO 0.31 0.52 -0.12 -0.76 -0.54 0.00 0.00 174.62 174.02 1n3s s LEU 88 N 1.27 2.72 -0.18 4.79 1.43 -1.26 -2.21 118.68 125.24 1n3s s LEU 88 Ca 0.03 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1n3s s LEU 88 Cb -0.13 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1n3s s LEU 88 CO -0.11 0.14 0.10 -0.63 0.23 0.00 0.00 176.35 176.09 1n3s s ILE 89 N 0.48 5.16 0.10 -0.59 1.01 -0.52 -4.94 121.20 121.90 1n3s s ILE 89 Ca -0.09 0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.33 1n3s s ILE 89 Cb -0.16 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 1n3s s ILE 89 CO 0.04 0.48 1.73 -0.62 0.00 0.00 0.00 174.94 176.57 1n3s n GLU 90 N 3.28 2.40 -2.05 2.79 1.02 -1.26 -1.49 120.64 125.33 1n3s n GLU 90 Ca -0.17 0.87 -0.41 0.00 -0.02 0.00 0.00 57.16 57.44 1n3s n GLU 90 Cb 0.52 -2.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 1n3s n GLU 90 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1n3s n ASN 91 N 4.82 4.04 0.20 1.62 5.15 -0.77 -4.68 115.26 125.64 1n3s n ASN 91 Ca 0.18 -2.83 0.13 0.00 -0.60 0.00 0.00 54.58 51.46 1n3s n ASN 91 Cb 0.32 -1.64 0.35 0.00 -0.53 0.00 0.00 39.78 38.28 1n3s n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3s h LYS 92 N 7.37 0.00 -1.99 1.20 1.57 -1.89 -3.24 116.57 119.59 1n3s h LYS 92 Ca 0.46 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.62 1n3s h LYS 92 Cb 0.78 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.69 1n3s h LYS 92 CO 1.63 0.00 -0.43 -0.12 -0.57 0.00 0.00 179.45 179.97 1n3s n MET 93 N -2.85 3.47 -1.91 3.15 1.56 -1.26 -5.00 117.12 114.28 1n3s n MET 93 Ca 0.03 -4.64 0.00 0.00 -0.27 0.00 0.00 57.70 52.83 1n3s n MET 93 Cb 0.44 -2.26 0.00 0.00 2.15 0.00 0.00 33.22 33.54 1n3s n MET 93 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1n3s n LYS 94 N -0.34 -0.68 -2.51 2.12 5.02 -1.23 -4.85 118.16 115.69 1n3s n LYS 94 Ca 0.37 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1n3s n LYS 94 Cb 0.47 0.18 -0.03 0.00 -0.02 0.00 0.00 35.03 35.63 1n3s n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n3s s VAL 95 N -2.39 4.39 -0.33 -0.18 1.01 -1.26 -4.88 120.40 116.75 1n3s s VAL 95 Ca 0.00 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1n3s s VAL 95 Cb 0.00 -4.09 0.49 0.00 0.00 0.00 0.00 36.38 32.78 1n3s s VAL 95 CO 0.00 -0.04 1.65 -0.67 0.00 0.00 0.00 175.10 176.05 1n3s n ASP 96 N 5.48 3.60 -4.93 3.32 -0.08 -1.26 -4.51 116.55 118.17 1n3s n ASP 96 Ca 0.11 -3.14 -0.22 0.00 -1.51 0.00 0.00 54.79 50.03 1n3s n ASP 96 Cb 0.46 -0.74 0.05 0.00 2.34 0.00 0.00 41.12 43.23 1n3s n ASP 96 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1n3s s GLU 97 N -2.39 2.38 -0.06 -0.67 -1.05 -1.26 -4.99 118.70 110.66 1n3s s GLU 97 Ca 0.41 -0.72 0.04 0.00 -0.15 0.00 0.00 54.97 54.55 1n3s s GLU 97 Cb 0.35 -2.41 -0.02 0.00 -0.44 0.00 0.00 34.13 31.60 1n3s s GLU 97 CO 0.08 -0.89 -0.16 0.00 0.95 0.00 0.00 175.26 175.24 1n3s s MET 98 N -4.89 2.61 -0.12 -4.83 0.23 -1.26 -3.77 119.30 107.26 1n3s s MET 98 Ca 0.59 -0.72 0.00 0.00 -1.03 0.00 0.00 55.69 54.53 1n3s s MET 98 Cb -0.10 -2.38 -0.01 0.00 -1.53 0.00 0.00 34.83 30.81 1n3s s MET 98 CO 0.40 0.54 -0.14 0.08 -2.03 0.00 0.00 175.02 173.87 1n3s s VAL 99 N -0.53 2.94 -0.08 5.16 1.01 -0.16 -5.00 120.40 123.74 1n3s s VAL 99 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1n3s s VAL 99 Cb -0.12 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1n3s s VAL 99 CO 0.01 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.67 1n3s s THR 100 N 0.31 0.95 -0.35 3.92 2.01 -1.26 -1.12 115.64 120.10 1n3s s THR 100 Ca -0.11 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1n3s s THR 100 Cb -0.16 -0.94 0.06 0.00 0.01 0.00 0.00 72.50 71.47 1n3s s THR 100 CO 0.06 0.34 0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 1n3s s VAL 101 N 1.24 3.56 0.35 3.82 1.01 0.28 -5.00 120.40 125.66 1n3s s VAL 101 Ca -0.04 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 60.65 1n3s s VAL 101 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1n3s s VAL 101 CO -0.03 -0.28 0.39 0.00 0.00 0.00 0.00 175.10 175.19 1n3s s ARG 102 N 1.33 2.87 -1.52 2.72 1.70 -1.26 -1.24 118.95 123.55 1n3s s ARG 102 Ca -0.01 -1.20 -0.11 0.00 -0.47 0.00 0.00 55.73 53.94 1n3s s ARG 102 Cb -0.20 -2.62 0.08 0.00 -0.57 0.00 0.00 34.95 31.63 1n3s s ARG 102 CO 0.01 0.03 0.86 -0.25 -1.08 0.00 0.00 175.30 174.87 1n3s n ASP 103 N -1.53 -3.61 -4.70 -2.89 8.00 -1.08 -4.95 116.55 105.79 1n3s n ASP 103 Ca 0.00 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 1n3s n ASP 103 Cb 0.59 -3.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 1n3s n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3s s ILE 104 N -3.41 3.87 0.01 0.53 1.01 0.29 -4.79 121.20 118.71 1n3s s ILE 104 Ca 0.52 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 1n3s s ILE 104 Cb -0.27 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 1n3s s ILE 104 CO 0.85 0.05 1.79 -0.89 0.00 0.00 0.00 174.94 176.74 1n3s s THR 105 N 1.67 3.21 -0.20 2.92 2.01 -1.26 -0.91 115.64 123.08 1n3s s THR 105 Ca 0.60 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.98 1n3s s THR 105 Cb -0.30 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.02 1n3s s THR 105 CO 0.27 -0.03 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.85 1n3s s LEU 106 N 3.89 2.33 -0.26 4.42 0.20 -0.77 -4.73 118.68 123.76 1n3s s LEU 106 Ca 0.80 -0.90 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 1n3s s LEU 106 Cb -0.39 -1.26 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1n3s s LEU 106 CO 0.35 -0.14 -0.05 0.42 -0.29 0.00 0.00 176.35 176.65 1n3s s THR 107 N 1.38 2.98 0.00 3.68 -4.23 -1.26 -1.41 115.64 116.78 1n3s s THR 107 Ca -0.01 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1n3s s THR 107 Cb -0.16 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1n3s s THR 107 CO -0.08 0.17 0.00 -0.24 -0.54 0.00 0.00 174.62 173.93 1n3s n SER 108 N 4.68 0.59 -3.73 3.99 2.88 -0.67 -4.03 113.62 117.33 1n3s n SER 108 Ca -0.16 -0.99 -0.13 0.00 -1.33 0.00 0.00 58.87 56.26 1n3s n SER 108 Cb 0.47 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.79 1n3s n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3s s THR 109 N -1.69 -0.07 -0.18 2.46 2.01 -1.25 -1.89 115.64 115.02 1n3s s THR 109 Ca 0.00 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.89 1n3s s THR 109 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1n3s s THR 109 CO 0.00 0.07 2.17 0.00 -0.69 0.00 0.00 174.62 176.17 1n3s h GLU 111 N 14.30 0.00 0.00 0.00 4.11 -1.46 0.39 114.58 131.92 1n3s h GLU 111 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.95 1n3s h GLU 111 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1n3s h GLU 111 CO 0.96 0.00 -0.29 1.25 0.07 0.00 0.00 179.01 181.00 1n3s h HIS 112 N 0.00 0.00 0.00 2.06 -0.00 -1.89 -3.40 115.15 111.92 1n3s h HIS 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1n3s h HIS 112 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1n3s h HIS 112 CO 0.00 0.29 0.00 0.43 -0.00 0.00 0.00 177.93 178.65 1n3s n SER 113 N -3.21 0.00 -3.03 3.26 7.64 -1.10 -5.03 113.62 112.16 1n3s n SER 113 Ca 0.02 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.68 1n3s n SER 113 Cb 0.61 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1n3s n SER 113 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n3s n PHE 114 N 0.00 -1.82 -4.34 1.43 3.01 0.13 -4.99 117.46 110.87 1n3s n PHE 114 Ca 0.00 0.44 -0.32 0.00 1.01 0.00 0.00 57.45 58.58 1n3s n PHE 114 Cb 0.39 -3.96 -0.10 0.00 -0.01 0.00 0.00 39.48 35.80 1n3s n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3s s VAL 115 N -3.07 3.81 0.21 -4.37 1.01 -1.22 -4.82 120.40 111.95 1n3s s VAL 115 Ca 0.29 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 1n3s s VAL 115 Cb -0.14 -2.70 -0.15 0.00 0.00 0.00 0.00 36.38 33.39 1n3s s VAL 115 CO 0.36 0.32 1.07 0.41 0.00 0.00 0.00 175.10 177.26 1n3s n THR 116 N 1.29 1.29 -4.00 3.92 -1.04 -1.26 0.14 114.28 114.61 1n3s n THR 116 Ca -0.14 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.24 1n3s n THR 116 Cb 0.52 -0.83 -0.16 0.00 -1.82 0.00 0.00 70.33 68.05 1n3s n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3s s ILE 117 N -0.50 1.60 -0.26 12.58 1.01 -0.79 -1.49 121.20 133.34 1n3s s ILE 117 Ca 0.68 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1n3s s ILE 117 Cb -0.82 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1n3s s ILE 117 CO 0.55 0.28 0.12 -0.62 0.00 0.00 0.00 174.94 175.26 1n3s s ASP 118 N 1.44 5.48 0.27 3.58 2.15 -0.72 -1.66 116.67 127.20 1n3s s ASP 118 Ca 0.01 -0.13 0.03 0.00 0.43 0.00 0.00 52.55 52.89 1n3s s ASP 118 Cb -0.15 -2.00 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 1n3s s ASP 118 CO -0.09 -0.04 0.22 -0.83 -0.17 0.00 0.00 175.17 174.26 1n3s s GLY 119 N 1.66 1.86 -0.03 2.66 0.00 -0.50 -0.38 107.32 112.60 1n3s s GLY 119 Ca 0.07 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.93 1n3s s GLY 119 CO 0.06 -1.41 -0.03 0.54 0.00 0.00 0.00 173.10 172.27 1n3s s LYS 120 N -3.77 0.49 0.13 2.90 3.01 0.72 -1.84 119.74 121.37 1n3s s LYS 120 Ca 0.39 -0.06 0.08 0.00 -1.01 0.00 0.00 55.97 55.37 1n3s s LYS 120 Cb 0.04 -0.55 -0.04 0.00 -1.01 0.00 0.00 37.83 36.27 1n3s s LYS 120 CO 0.20 -0.04 -0.11 0.00 0.51 0.00 0.00 175.35 175.91 1n3s s ALA 121 N 0.61 2.91 -0.09 5.17 0.00 -0.09 -0.47 121.76 129.81 1n3s s ALA 121 Ca -0.07 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1n3s s ALA 121 Cb -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1n3s s ALA 121 CO -0.01 0.59 -0.08 0.99 0.00 0.00 0.00 175.76 177.25 1n3s s THR 122 N -1.34 0.97 -0.10 0.00 2.01 0.72 -0.55 115.64 117.36 1n3s s THR 122 Ca 0.22 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1n3s s THR 122 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1n3s s THR 122 CO 0.14 0.34 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.52 1n3s s VAL 123 N 1.27 1.75 0.02 3.82 1.01 -0.37 -0.62 120.40 127.28 1n3s s VAL 123 Ca -0.04 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1n3s s VAL 123 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1n3s s VAL 123 CO -0.03 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.40 1n3s s ALA 124 N 0.62 1.32 0.10 5.51 0.00 0.02 -0.56 121.76 128.79 1n3s s ALA 124 Ca -0.13 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1n3s s ALA 124 Cb -0.16 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1n3s s ALA 124 CO 0.04 0.29 0.43 1.52 0.00 0.00 0.00 175.76 178.04 1n3s s TYR 125 N -0.64 -0.26 -0.27 0.00 1.13 -0.28 -0.16 117.35 116.87 1n3s s TYR 125 Ca 0.04 0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.74 1n3s s TYR 125 Cb -0.07 0.28 0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1n3s s TYR 125 CO 0.01 -0.68 -0.05 0.42 -2.51 0.00 0.00 175.55 172.74 1n3s s ILE 126 N -3.40 2.77 0.29 -3.49 1.01 -1.01 -0.98 121.20 116.38 1n3s s ILE 126 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.04 1n3s s ILE 126 Cb 0.01 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.83 1n3s s ILE 126 CO -0.09 0.02 1.47 -2.65 0.00 0.00 0.00 174.94 173.69 1n3s n PRO 127 N 4.60 2.37 0.00 2.79 -0.02 -1.25 -4.85 135.00 138.65 1n3s n PRO 127 Ca -0.15 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1n3s n PRO 127 Cb 0.44 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1n3s n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3s n LYS 128 N 1.71 0.00 -0.03 -0.52 4.81 -1.26 -4.68 118.16 118.19 1n3s n LYS 128 Ca 0.08 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 1n3s n LYS 128 Cb 0.35 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.48 1n3s n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3s n ASP 129 N 0.00 2.43 -3.77 3.14 8.00 -1.26 -4.85 116.55 120.24 1n3s n ASP 129 Ca 0.00 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.67 1n3s n ASP 129 Cb 0.00 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 1n3s n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3s s SER 130 N -1.28 -0.27 -0.23 -2.24 1.04 -1.26 -1.84 113.70 107.62 1n3s s SER 130 Ca 0.20 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 1n3s s SER 130 Cb 0.14 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1n3s s SER 130 CO 0.20 -0.21 -0.05 -0.69 0.98 0.00 0.00 173.24 173.47 1n3s s VAL 131 N -0.32 3.21 0.53 5.02 1.01 -0.55 -4.71 120.40 124.59 1n3s s VAL 131 Ca -0.04 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1n3s s VAL 131 Cb -0.03 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 1n3s s VAL 131 CO 0.01 0.37 1.01 -0.51 0.00 0.00 0.00 175.10 175.99 1n3s s ILE 132 N 1.44 4.26 0.23 2.22 2.07 -1.26 -1.43 121.20 128.71 1n3s s ILE 132 Ca 0.05 1.11 -0.30 0.00 -1.41 0.00 0.00 60.65 60.10 1n3s s ILE 132 Cb -0.15 -3.59 -0.09 0.00 0.13 0.00 0.00 42.46 38.76 1n3s s ILE 132 CO -0.04 -0.59 1.28 -0.83 -1.91 0.00 0.00 174.94 172.86 1n3s s GLY 133 N -2.87 2.61 0.22 1.50 0.00 -0.94 -4.92 107.32 102.92 1n3s s GLY 133 Ca 0.61 1.11 -0.07 0.00 0.00 0.00 0.00 44.72 46.36 1n3s s GLY 133 CO 0.31 1.98 1.74 1.41 0.00 0.00 0.00 173.10 178.54 1n3s h LEU 134 N 4.91 0.23 -1.32 0.66 3.38 -1.94 -2.35 115.31 118.88 1n3s h LEU 134 Ca -0.46 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1n3s h LEU 134 Cb 1.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1n3s h LEU 134 CO 0.74 0.11 -0.33 0.77 0.09 0.00 0.00 178.44 179.83 1n3s h SER 135 N 0.41 0.00 0.39 -0.43 4.64 -2.01 -2.54 113.55 114.01 1n3s h SER 135 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1n3s h SER 135 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1n3s h SER 135 CO -0.35 0.33 0.00 0.11 -0.87 0.00 0.00 176.83 176.05 1n3s h LYS 136 N 0.00 0.00 -0.01 4.77 1.79 -1.81 0.24 116.57 121.55 1n3s h LYS 136 Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1n3s h LYS 136 Cb 0.64 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1n3s h LYS 136 CO 0.04 0.00 -0.60 0.82 -1.08 0.00 0.00 179.45 178.64 1n3s h ILE 137 N 0.00 1.42 -0.51 1.86 2.04 -1.51 -2.11 117.51 118.70 1n3s h ILE 137 Ca 0.00 -2.06 -0.07 0.00 1.00 0.00 0.00 64.86 63.73 1n3s h ILE 137 Cb 0.19 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1n3s h ILE 137 CO 0.00 0.60 0.05 0.78 0.00 0.00 0.00 178.15 179.58 1n3s h ASN 138 N -0.09 0.79 0.24 1.72 2.35 -1.34 -2.30 115.58 116.95 1n3s h ASN 138 Ca -0.07 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.36 1n3s h ASN 138 Cb 1.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1n3s h ASN 138 CO 0.12 0.82 -0.55 0.03 -1.65 0.00 0.00 177.43 176.20 1n3s h ARG 139 N 0.78 0.33 -0.16 0.81 3.08 -1.02 -1.82 114.38 116.39 1n3s h ARG 139 Ca 0.16 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1n3s h ARG 139 Cb 0.40 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1n3s h ARG 139 CO 0.01 0.80 -0.34 0.82 -1.07 0.00 0.00 179.97 180.19 1n3s h ILE 140 N 0.26 1.35 0.07 2.04 2.04 -1.20 -0.68 117.51 121.39 1n3s h ILE 140 Ca 0.00 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.29 1n3s h ILE 140 Cb 1.05 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 1n3s h ILE 140 CO 0.09 0.48 -0.25 0.58 0.00 0.00 0.00 178.15 179.05 1n3s h VAL 141 N 0.13 0.43 0.00 1.67 2.07 -1.34 -2.30 116.25 116.91 1n3s h VAL 141 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1n3s h VAL 141 Cb 0.94 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1n3s h VAL 141 CO 0.07 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 179.00 1n3s h GLN 142 N -0.43 0.00 0.77 1.57 1.08 -1.35 -1.64 115.11 115.10 1n3s h GLN 142 Ca 0.04 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1n3s h GLN 142 Cb 0.48 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1n3s h GLN 142 CO -0.18 0.22 -0.37 0.35 -0.95 0.00 0.00 178.83 177.91 1n3s h PHE 143 N 0.00 -0.96 0.00 2.96 3.57 -0.57 -1.56 116.94 120.39 1n3s h PHE 143 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1n3s h PHE 143 Cb 0.49 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1n3s h PHE 143 CO 0.00 -0.58 -0.18 0.74 -2.23 0.00 0.00 178.31 176.06 1n3s h PHE 144 N -1.10 0.00 -0.06 0.41 0.04 -1.35 -2.92 116.94 111.95 1n3s h PHE 144 Ca -0.11 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.48 1n3s h PHE 144 Cb 0.81 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1n3s h PHE 144 CO -0.01 0.18 -0.74 0.00 -0.60 0.00 0.00 178.31 177.14 1n3s h ALA 145 N 1.82 0.61 -0.05 2.45 0.00 -1.09 -3.34 119.26 119.66 1n3s h ALA 145 Ca -0.00 -0.62 -0.71 0.00 0.00 0.00 0.00 54.91 53.58 1n3s h ALA 145 Cb 0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n3s h ALA 145 CO 0.02 0.78 3.17 1.04 0.00 0.00 0.00 179.25 184.26 1n3s n GLN 146 N -3.81 3.00 -3.48 0.00 1.13 -0.60 -4.21 117.38 109.41 1n3s n GLN 146 Ca -0.04 -2.60 -0.10 0.00 -1.94 0.00 0.00 57.00 52.31 1n3s n GLN 146 Cb 0.71 -3.21 -0.02 0.00 0.11 0.00 0.00 30.24 27.83 1n3s n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3s s ARG 147 N 2.92 1.15 -0.47 -1.09 0.52 -1.18 -0.39 118.95 120.41 1n3s s ARG 147 Ca 0.49 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.98 1n3s s ARG 147 Cb 0.14 0.52 0.01 0.00 0.52 0.00 0.00 34.95 36.14 1n3s s ARG 147 CO -0.08 -0.50 1.41 -2.14 0.02 0.00 0.00 175.30 174.00 1n3s s PRO 148 N -3.54 3.47 0.41 3.54 0.02 -1.26 -3.92 135.00 133.72 1n3s s PRO 148 Ca 0.03 0.74 0.08 0.00 0.02 0.00 0.00 61.00 61.87 1n3s s PRO 148 Cb -0.01 -4.06 -0.03 0.00 0.02 0.00 0.00 34.50 30.41 1n3s s PRO 148 CO -0.10 -1.71 0.28 -0.65 -0.33 0.00 0.00 177.00 174.49 1n3s s GLN 149 N 5.15 2.40 -0.10 5.54 -1.52 0.27 -4.65 119.66 126.75 1n3s s GLN 149 Ca 0.58 -1.66 -0.01 0.00 -1.95 0.00 0.00 55.36 52.32 1n3s s GLN 149 Cb -0.12 -2.21 0.03 0.00 -0.22 0.00 0.00 33.01 30.48 1n3s s GLN 149 CO 0.30 -0.14 -0.06 0.08 -0.25 0.00 0.00 175.29 175.22 1n3s s VAL 150 N -2.52 0.88 0.28 1.09 1.01 -1.26 -1.30 120.40 118.58 1n3s s VAL 150 Ca 0.45 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1n3s s VAL 150 Cb -0.00 -0.92 0.27 0.00 0.00 0.00 0.00 36.38 35.73 1n3s s VAL 150 CO 0.25 0.34 1.74 -0.61 0.00 0.00 0.00 175.10 176.82 1n3s h GLN 151 N 8.16 0.54 -0.66 2.72 4.15 -1.99 0.23 115.11 128.26 1n3s h GLN 151 Ca -0.28 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.04 1n3s h GLN 151 Cb 1.13 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1n3s h GLN 151 CO 0.38 0.35 0.14 0.93 -1.93 0.00 0.00 178.83 178.70 1n3s h GLU 152 N 0.55 1.08 -0.17 1.69 3.07 -1.97 -1.71 114.58 117.12 1n3s h GLU 152 Ca 0.53 -0.27 -0.22 0.00 -0.50 0.00 0.00 59.36 58.90 1n3s h GLU 152 Cb 0.89 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1n3s h GLU 152 CO -0.44 0.97 -0.75 -0.09 -1.40 0.00 0.00 179.01 177.30 1n3s h ARG 153 N 1.00 0.81 -0.48 2.33 2.43 -1.76 -3.07 114.38 115.64 1n3s h ARG 153 Ca 0.21 -0.64 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1n3s h ARG 153 Cb 0.39 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1n3s h ARG 153 CO 0.01 1.25 0.26 1.25 -1.51 0.00 0.00 179.97 181.22 1n3s h LEU 154 N 0.56 0.40 -0.55 3.80 5.85 -0.81 -0.57 115.31 123.99 1n3s h LEU 154 Ca -0.04 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1n3s h LEU 154 Cb 1.38 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1n3s h LEU 154 CO 0.16 0.28 0.34 0.74 -0.34 0.00 0.00 178.44 179.62 1n3s h THR 155 N 0.52 1.09 -0.33 1.05 2.02 -1.34 -2.28 112.91 113.63 1n3s h THR 155 Ca 0.20 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1n3s h THR 155 Cb 0.07 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1n3s h THR 155 CO -0.12 0.12 -0.07 1.56 0.37 0.00 0.00 175.52 177.38 1n3s h GLN 156 N 0.68 0.64 -0.64 6.66 1.08 -1.38 -2.25 115.11 119.90 1n3s h GLN 156 Ca 0.21 -0.24 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1n3s h GLN 156 Cb -0.01 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 1n3s h GLN 156 CO -0.08 0.80 0.32 1.96 -0.95 0.00 0.00 178.83 180.89 1n3s h GLN 157 N 0.42 0.57 -0.38 1.46 4.20 -0.84 -0.46 115.11 120.08 1n3s h GLN 157 Ca 0.09 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1n3s h GLN 157 Cb 0.56 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1n3s h GLN 157 CO 0.03 0.38 -0.20 0.82 -0.67 0.00 0.00 178.83 179.19 1n3s h ILE 158 N 0.59 1.27 0.66 2.54 2.04 -1.34 -1.20 117.51 122.07 1n3s h ILE 158 Ca 0.30 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1n3s h ILE 158 Cb 0.26 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1n3s h ILE 158 CO -0.22 0.43 -0.31 0.25 0.00 0.00 0.00 178.15 178.29 1n3s h LEU 159 N 0.65 -0.75 -1.17 1.44 5.85 -0.76 -1.81 115.31 118.77 1n3s h LEU 159 Ca 0.10 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1n3s h LEU 159 Cb 0.69 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1n3s h LEU 159 CO 0.05 -0.40 0.53 0.40 -0.34 0.00 0.00 178.44 178.68 1n3s h ILE 160 N -1.10 1.21 -0.64 4.05 1.08 -1.11 0.11 117.51 121.10 1n3s h ILE 160 Ca -0.09 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1n3s h ILE 160 Cb 0.71 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1n3s h ILE 160 CO 0.15 0.21 0.27 0.00 -0.69 0.00 0.00 178.15 178.09 1n3s h ALA 161 N 1.47 0.84 -0.11 1.87 0.00 -1.19 -0.34 119.26 121.80 1n3s h ALA 161 Ca 0.30 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1n3s h ALA 161 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.44 1n3s h ALA 161 CO -0.06 0.44 -0.83 -0.07 0.00 0.00 0.00 179.25 178.73 1n3s h LEU 162 N 0.90 0.87 -1.20 0.00 3.38 -0.60 -2.94 115.31 115.72 1n3s h LEU 162 Ca 0.22 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1n3s h LEU 162 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1n3s h LEU 162 CO -0.02 1.40 0.21 1.56 0.09 0.00 0.00 178.44 181.67 1n3s h GLN 163 N 0.47 0.77 -0.00 1.13 4.20 -0.49 -1.46 115.11 119.72 1n3s h GLN 163 Ca -0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1n3s h GLN 163 Cb 1.46 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1n3s h GLN 163 CO 0.17 0.63 -0.00 1.15 -0.67 0.00 0.00 178.83 180.11 1n3s h THR 164 N 0.76 1.37 -0.18 -0.54 2.02 -1.09 -1.74 112.91 113.52 1n3s h THR 164 Ca 0.18 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.15 1n3s h THR 164 Cb 0.16 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1n3s h THR 164 CO -0.02 0.28 -0.39 -0.07 0.37 0.00 0.00 175.52 175.70 1n3s h LEU 165 N -0.46 0.41 0.00 2.58 3.38 -1.40 -3.13 115.31 116.68 1n3s h LEU 165 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1n3s h LEU 165 Cb 0.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1n3s h LEU 165 CO 0.00 0.77 -0.65 -0.07 0.09 0.00 0.00 178.44 178.58 1n3s h LEU 166 N 0.33 0.00 0.42 1.67 3.38 -1.35 -3.48 115.31 116.28 1n3s h LEU 166 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1n3s h LEU 166 Cb 0.84 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1n3s h LEU 166 CO 0.07 0.10 -0.15 0.61 0.09 0.00 0.00 178.44 179.16 1n3s n GLY 167 N 1.18 0.88 3.22 0.83 0.00 -0.67 -4.49 105.19 106.14 1n3s n GLY 167 Ca 0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1n3s n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3s s THR 168 N -2.29 1.21 -0.84 2.61 2.01 -1.14 -4.93 115.64 112.27 1n3s s THR 168 Ca 0.00 -1.63 0.22 0.00 0.31 0.00 0.00 61.69 60.59 1n3s s THR 168 Cb 0.00 -1.42 -0.17 0.00 0.01 0.00 0.00 72.50 70.92 1n3s s THR 168 CO 0.00 -0.41 0.99 0.59 -0.69 0.00 0.00 174.62 175.10 1n3s n ASN 169 N 0.67 0.74 -3.53 3.53 3.02 -1.26 -4.41 115.26 114.02 1n3s n ASN 169 Ca -0.17 -0.61 -0.38 0.00 -0.03 0.00 0.00 54.58 53.39 1n3s n ASN 169 Cb 0.57 0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 40.60 1n3s n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3s n ASN 170 N -1.66 4.14 -4.01 6.41 3.02 -1.26 -1.63 115.26 120.27 1n3s n ASN 170 Ca 0.03 -2.64 -0.15 0.00 -0.03 0.00 0.00 54.58 51.79 1n3s n ASN 170 Cb 0.37 -1.32 -0.13 0.00 -0.61 0.00 0.00 39.78 38.09 1n3s n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3s s VAL 171 N 3.82 0.52 -0.02 2.41 1.01 -1.23 -2.41 120.40 124.49 1n3s s VAL 171 Ca 0.52 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1n3s s VAL 171 Cb 0.14 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1n3s s VAL 171 CO 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 175.10 174.97 1n3s s ALA 172 N -0.65 0.64 -0.05 5.51 0.00 0.78 -1.39 121.76 126.59 1n3s s ALA 172 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1n3s s ALA 172 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1n3s s ALA 172 CO 0.00 0.08 -0.12 0.08 0.00 0.00 0.00 175.76 175.81 1n3s s VAL 173 N 0.30 1.07 -0.04 0.00 1.01 0.44 -0.80 120.40 122.39 1n3s s VAL 173 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1n3s s VAL 173 Cb -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1n3s s VAL 173 CO 0.00 0.33 -0.03 -0.55 0.00 0.00 0.00 175.10 174.85 1n3s s SER 174 N 0.52 0.89 -0.18 3.32 0.15 0.21 0.78 113.70 119.39 1n3s s SER 174 Ca -0.11 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1n3s s SER 174 Cb -0.14 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1n3s s SER 174 CO 0.03 -0.08 -0.18 -0.63 1.20 0.00 0.00 173.24 173.58 1n3s s ILE 175 N 1.03 2.23 -0.29 6.45 1.01 -0.59 -0.20 121.20 130.84 1n3s s ILE 175 Ca -0.09 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1n3s s ILE 175 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1n3s s ILE 175 CO -0.01 0.53 0.12 -0.62 0.00 0.00 0.00 174.94 174.96 1n3s s ASP 176 N 1.26 5.37 0.05 3.58 2.15 0.39 -1.33 116.67 128.14 1n3s s ASP 176 Ca 0.04 -0.46 -0.00 0.00 0.43 0.00 0.00 52.55 52.56 1n3s s ASP 176 Cb -0.13 -1.96 -0.03 0.00 -0.30 0.00 0.00 42.92 40.49 1n3s s ASP 176 CO -0.11 -0.15 -0.04 0.00 -0.17 0.00 0.00 175.17 174.71 1n3s s ALA 177 N 1.60 0.48 -0.17 3.66 0.00 0.88 -0.20 121.76 128.00 1n3s s ALA 177 Ca 0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1n3s s ALA 177 Cb -0.17 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1n3s s ALA 177 CO 0.05 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.48 1n3s s VAL 178 N -2.97 2.57 -0.23 0.00 1.01 0.49 -0.39 120.40 120.87 1n3s s VAL 178 Ca -0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1n3s s VAL 178 Cb 0.01 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1n3s s VAL 178 CO -0.06 0.51 0.48 -1.00 0.00 0.00 0.00 175.10 175.03 1n3s s HIS 179 N 1.08 3.32 -1.28 5.22 3.76 -1.26 -1.76 115.29 124.36 1n3s s HIS 179 Ca -0.00 0.65 0.20 0.00 -0.15 0.00 0.00 55.06 55.76 1n3s s HIS 179 Cb -0.14 -2.65 0.96 0.00 1.11 0.00 0.00 32.58 31.85 1n3s s HIS 179 CO -0.05 -0.17 1.64 0.66 -0.85 0.00 0.00 174.74 175.97 1n3s n TYR 180 N 5.09 0.00 0.69 1.40 4.02 -0.55 -1.05 117.16 126.76 1n3s n TYR 180 Ca -0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.96 1n3s n TYR 180 Cb 0.50 -0.36 0.46 0.00 -0.02 0.00 0.00 39.34 39.92 1n3s n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s n VAL 182 N -2.06 0.93 -0.06 0.00 0.31 -0.35 -4.46 118.33 112.65 1n3s n VAL 182 Ca 0.06 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.90 1n3s n VAL 182 Cb 0.38 -1.15 -0.12 0.00 -0.91 0.00 0.00 33.84 32.04 1n3s n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3s h LYS 183 N -0.07 0.00 -0.67 5.55 3.64 -1.15 -2.27 116.57 121.60 1n3s h LYS 183 Ca -0.37 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1n3s h LYS 183 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1n3s h LYS 183 CO -0.08 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 177.98 1n3s n ALA 184 N -2.55 2.39 -3.79 5.00 0.00 -0.86 -3.63 120.51 117.08 1n3s n ALA 184 Ca -0.10 -1.18 -0.07 0.00 0.00 0.00 0.00 53.44 52.09 1n3s n ALA 184 Cb 0.43 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1n3s n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3s s ARG 185 N -1.10 1.75 4.48 0.00 3.52 -1.24 -4.98 118.95 121.38 1n3s s ARG 185 Ca 0.45 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1n3s s ARG 185 Cb 0.24 0.60 0.00 0.00 -1.56 0.00 0.00 34.95 34.22 1n3s s ARG 185 CO 0.31 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1n3s n GLY 186 N -0.45 0.89 0.23 8.12 0.00 -1.26 -1.59 105.19 111.14 1n3s n GLY 186 Ca -0.04 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.66 1n3s n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3s h ILE 187 N 0.00 0.00 -6.18 -0.61 6.09 -1.86 -3.48 117.51 111.47 1n3s h ILE 187 Ca 0.00 -0.73 -0.42 0.00 -1.37 0.00 0.00 64.86 62.33 1n3s h ILE 187 Cb 0.00 1.72 0.07 0.00 0.47 0.00 0.00 36.82 39.09 1n3s h ILE 187 CO 0.00 0.00 -0.91 0.54 -3.07 0.00 0.00 178.15 174.71 1n3s n ARG 188 N -3.02 -2.08 -3.11 2.19 1.74 -0.62 -4.94 116.66 106.83 1n3s n ARG 188 Ca 0.03 0.51 -0.45 0.00 -0.77 0.00 0.00 57.85 57.16 1n3s n ARG 188 Cb 0.42 -4.46 -0.04 0.00 -1.02 0.00 0.00 32.46 27.36 1n3s n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3s s ASP 189 N -3.70 6.31 0.53 0.55 -1.08 -0.87 -4.90 116.67 113.50 1n3s s ASP 189 Ca 0.35 -1.66 0.32 0.00 -0.52 0.00 0.00 52.55 51.03 1n3s s ASP 189 Cb -0.12 -2.30 1.28 0.00 -1.46 0.00 0.00 42.92 40.32 1n3s s ASP 189 CO 0.85 -1.05 1.96 0.00 0.52 0.00 0.00 175.17 177.45 1n3s h ALA 190 N 8.98 1.01 0.00 3.66 0.00 -1.87 -3.32 119.26 127.72 1n3s h ALA 190 Ca -0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1n3s h ALA 190 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1n3s h ALA 190 CO 1.06 0.06 -2.03 0.25 0.00 0.00 0.00 179.25 178.59 1n3s n THR 191 N -3.17 0.46 -1.93 0.00 -2.24 -1.26 -5.02 114.28 101.11 1n3s n THR 191 Ca 0.00 -0.57 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1n3s n THR 191 Cb 0.33 -0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1n3s n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3s s SER 192 N -4.63 5.62 -0.07 3.42 1.04 -1.25 -5.08 113.70 112.76 1n3s s SER 192 Ca -0.08 1.81 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 1n3s s SER 192 Cb 0.10 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.73 1n3s s SER 192 CO 0.80 -1.28 0.44 0.00 0.98 0.00 0.00 173.24 174.18 1n3s s ALA 193 N -2.52 -1.12 -0.13 5.32 0.00 -1.26 -4.87 121.76 117.18 1n3s s ALA 193 Ca 0.63 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1n3s s ALA 193 Cb -0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1n3s s ALA 193 CO 0.40 -0.28 -0.10 0.99 0.00 0.00 0.00 175.76 176.78 1n3s s THR 194 N -0.87 3.35 -0.18 0.00 2.01 0.47 -4.94 115.64 115.48 1n3s s THR 194 Ca -0.09 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1n3s s THR 194 Cb -0.03 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1n3s s THR 194 CO 0.05 0.53 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.51 1n3s s THR 195 N 0.17 3.02 -0.21 -0.82 2.01 -1.26 -0.08 115.64 118.46 1n3s s THR 195 Ca -0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1n3s s THR 195 Cb -0.15 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.09 1n3s s THR 195 CO 0.04 0.48 -0.12 0.42 -0.69 0.00 0.00 174.62 174.76 1n3s s THR 196 N 1.06 1.83 -0.11 -0.82 -4.23 -0.44 -4.97 115.64 107.95 1n3s s THR 196 Ca -0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1n3s s THR 196 Cb -0.15 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1n3s s THR 196 CO -0.02 0.15 -0.11 0.28 -0.54 0.00 0.00 174.62 174.39 1n3s s THR 197 N 1.30 3.27 -0.25 3.99 -1.32 -1.26 -1.54 115.64 119.84 1n3s s THR 197 Ca -0.03 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1n3s s THR 197 Cb -0.17 -2.37 0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1n3s s THR 197 CO -0.08 0.54 -0.09 -0.44 -2.21 0.00 0.00 174.62 172.34 1n3s s SER 198 N 0.02 4.23 -0.17 8.08 0.01 0.23 -4.99 113.70 121.12 1n3s s SER 198 Ca -0.03 -1.04 -0.05 0.00 1.31 0.00 0.00 55.95 56.14 1n3s s SER 198 Cb -0.14 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1n3s s SER 198 CO 0.04 -0.14 0.01 -0.76 0.41 0.00 0.00 173.24 172.80 1n3s s LEU 199 N 1.25 3.54 0.16 2.44 1.43 -1.26 -0.42 118.68 125.81 1n3s s LEU 199 Ca -0.02 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1n3s s LEU 199 Cb -0.17 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1n3s s LEU 199 CO -0.06 0.18 -0.14 -0.83 0.23 0.00 0.00 176.35 175.73 1n3s s GLY 200 N 0.32 1.23 0.00 -3.19 0.00 -0.49 -4.58 107.32 100.62 1n3s s GLY 200 Ca -0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1n3s s GLY 200 CO 0.02 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.19 1n3s n GLY 201 N 0.13 3.56 0.29 0.20 0.00 -0.64 -2.16 105.19 106.56 1n3s n GLY 201 Ca -0.12 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.04 1n3s n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 202 N 0.00 0.00 -0.47 0.99 3.38 -1.91 0.75 115.31 118.06 1n3s h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3s h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3s h LEU 202 CO 0.00 0.05 0.00 -0.26 0.09 0.00 0.00 178.44 178.32 1n3s h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.68 -3.25 116.94 113.18 1n3s h PHE 203 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n3s h PHE 203 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1n3s h PHE 203 CO 0.00 0.00 0.00 1.17 -0.60 0.00 0.00 178.31 178.88 1n3s n LYS 204 N -2.61 0.00 0.05 1.51 4.81 0.06 -4.09 118.16 117.89 1n3s n LYS 204 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.37 1n3s n LYS 204 Cb 0.38 -0.16 -0.06 0.00 0.02 0.00 0.00 35.03 35.21 1n3s n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3s h SER 205 N 0.00 -1.01 -3.56 3.14 4.64 -1.20 -3.42 113.55 112.14 1n3s h SER 205 Ca 0.00 0.11 -0.52 0.00 -0.47 0.00 0.00 61.79 60.91 1n3s h SER 205 Cb 0.00 0.38 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1n3s h SER 205 CO 0.00 -0.34 0.50 -0.55 -0.87 0.00 0.00 176.83 175.57 1n3s s SER 206 N -3.85 7.21 0.29 4.97 0.15 -1.23 -4.96 113.70 116.29 1n3s s SER 206 Ca -0.10 2.15 0.01 0.00 0.70 0.00 0.00 55.95 58.71 1n3s s SER 206 Cb 0.04 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.20 1n3s s SER 206 CO 0.38 -0.26 1.81 -0.61 1.20 0.00 0.00 173.24 175.75 1n3s h GLN 207 N 5.06 0.64 0.31 5.44 5.75 -1.81 -3.30 115.11 127.20 1n3s h GLN 207 Ca -0.45 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 57.88 1n3s h GLN 207 Cb 1.21 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1n3s h GLN 207 CO 0.73 0.68 -0.15 -0.97 -2.65 0.00 0.00 178.83 176.47 1n3s h ASN 208 N 0.61 -0.35 0.21 -0.69 -1.24 -1.93 -3.23 115.58 108.95 1n3s h ASN 208 Ca 0.12 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1n3s h ASN 208 Cb 0.42 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1n3s h ASN 208 CO 0.02 -0.25 0.00 0.74 -1.29 0.00 0.00 177.43 176.65 1n3s h THR 209 N -0.42 0.00 -0.17 -3.57 2.02 -1.72 -2.63 112.91 106.42 1n3s h THR 209 Ca -0.04 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 1n3s h THR 209 Cb 0.32 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1n3s h THR 209 CO 0.07 0.00 -0.20 -0.09 0.37 0.00 0.00 175.52 175.67 1n3s h ARG 210 N 0.00 0.43 -0.00 6.66 2.43 -1.63 -2.92 114.38 119.35 1n3s h ARG 210 Ca 0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1n3s h ARG 210 Cb 0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1n3s h ARG 210 CO 0.00 0.82 -0.07 0.72 -1.51 0.00 0.00 179.97 179.93 1n3s n HIS 211 N -4.47 0.00 0.08 2.20 8.25 -1.00 -3.04 115.22 117.24 1n3s n HIS 211 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1n3s n HIS 211 Cb 0.40 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 1n3s n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n3s h GLU 212 N 0.16 0.34 0.00 -0.41 5.08 -1.37 -3.29 114.58 115.09 1n3s h GLU 212 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1n3s h GLU 212 Cb 0.37 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1n3s h GLU 212 CO 0.00 1.14 -0.18 0.35 -1.00 0.00 0.00 179.01 179.32 1n3s h PHE 213 N 0.16 0.00 -0.13 4.33 3.57 -1.56 -3.35 116.94 119.96 1n3s h PHE 213 Ca -0.10 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1n3s h PHE 213 Cb 1.72 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 1n3s h PHE 213 CO 0.06 0.00 0.58 -0.07 -2.23 0.00 0.00 178.31 176.65 1n3s h LEU 214 N -0.69 0.00 0.06 0.59 3.38 -1.73 0.84 115.31 117.76 1n3s h LEU 214 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1n3s h LEU 214 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1n3s h LEU 214 CO 0.00 0.00 -0.50 -0.09 0.09 0.00 0.00 178.44 177.94 1n3s h ARG 215 N 0.00 0.12 -0.64 1.13 2.43 -1.76 -3.31 114.38 112.35 1n3s h ARG 215 Ca 0.06 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1n3s h ARG 215 Cb 1.22 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1n3s h ARG 215 CO -0.00 1.10 0.00 0.00 -1.51 0.00 0.00 179.97 179.56 1n3s n ALA 216 N -2.73 2.59 -2.87 2.80 0.00 0.24 -4.82 120.51 115.72 1n3s n ALA 216 Ca -0.14 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.77 1n3s n ALA 216 Cb 0.65 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 1n3s n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3s s VAL 217 N -1.45 5.32 -0.10 0.00 1.01 -0.88 -4.75 120.40 119.54 1n3s s VAL 217 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1n3s s VAL 217 Cb 0.04 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1n3s s VAL 217 CO 0.02 0.43 0.08 -1.14 0.00 0.00 0.00 175.10 174.49 1n3s n ARG 218 N 1.33 -0.82 -4.37 2.72 0.00 -1.26 -5.02 116.66 109.24 1n3s n ARG 218 Ca -0.14 1.05 -0.26 0.00 -0.00 0.00 0.00 57.85 58.49 1n3s n ARG 218 Cb 0.53 -2.44 -0.12 0.00 0.00 0.00 0.00 32.46 30.43 1n3s n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3s s HIS 219 N -0.95 2.13 -0.20 -0.14 3.76 -1.26 -5.13 115.29 113.50 1n3s s HIS 219 Ca 0.03 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1n3s s HIS 219 Cb -0.01 -1.12 0.04 0.00 1.11 0.00 0.00 32.58 32.60 1n3s s HIS 219 CO 0.22 0.35 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.74 1n3s s HIS 220 N -1.37 2.64 0.00 1.40 2.46 -1.26 -4.92 115.29 114.24 1n3s s HIS 220 Ca 0.14 -1.69 0.00 0.00 0.47 0.00 0.00 55.06 53.98 1n3s s HIS 220 Cb -0.09 -1.76 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 1n3s s HIS 220 CO 0.07 -0.78 0.00 0.09 -2.47 0.00 0.00 174.74 171.65