#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 -5.18 113.62 113.60 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 -3.93 2.46 4.77 -1.26 -4.93 117.00 114.11 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 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1n3s n LEU 3 CO 0.00 0.00 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.32 1n3s s SER 4 N 0.77 0.20 0.03 -1.43 0.15 -1.26 -5.07 113.70 107.09 1n3s s SER 4 Ca 0.00 -0.64 -0.25 0.00 0.70 0.00 0.00 55.95 55.76 1n3s s SER 4 Cb 0.00 0.26 -0.18 0.00 -1.71 0.00 0.00 66.02 64.40 1n3s s SER 4 CO 0.00 -0.60 1.49 0.11 1.20 0.00 0.00 173.24 175.44 1n3s h LYS 5 N 3.25 0.00 -0.38 5.44 1.57 -2.00 -1.78 116.57 122.68 1n3s h LYS 5 Ca -0.33 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1n3s h LYS 5 Cb 1.18 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1n3s h LYS 5 CO 0.55 0.26 0.03 0.93 -0.57 0.00 0.00 179.45 180.65 1n3s h GLU 6 N -0.26 0.58 -0.35 3.15 3.07 -1.97 -2.05 114.58 116.76 1n3s h GLU 6 Ca 0.00 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.61 1n3s h GLU 6 Cb 0.26 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1n3s h GLU 6 CO 0.00 0.59 -0.32 0.00 -1.40 0.00 0.00 179.01 177.88 1n3s h ALA 7 N 1.47 0.78 -0.46 3.43 0.00 -1.89 -2.99 119.26 119.61 1n3s h ALA 7 Ca 0.12 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1n3s h ALA 7 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1n3s h ALA 7 CO 0.01 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.70 1n3s h ALA 8 N 0.99 0.65 -0.56 0.00 0.00 -0.80 -0.88 119.26 118.66 1n3s h ALA 8 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1n3s h ALA 8 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1n3s h ALA 8 CO 0.07 0.62 -0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1n3s h LEU 9 N 0.80 1.03 -0.24 0.00 3.38 -1.38 -1.88 115.31 117.02 1n3s h LEU 9 Ca 0.10 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1n3s h LEU 9 Cb 0.78 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1n3s h LEU 9 CO 0.06 1.13 -0.15 0.58 0.09 0.00 0.00 178.44 180.15 1n3s h VAL 10 N 0.92 1.31 0.00 1.22 2.07 -1.52 -2.25 116.25 118.00 1n3s h VAL 10 Ca 0.15 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.43 1n3s h VAL 10 Cb 0.65 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1n3s h VAL 10 CO 0.04 0.39 -0.15 -0.74 0.02 0.00 0.00 177.57 177.13 1n3s h HIS 11 N 0.23 -0.40 0.00 1.57 6.17 -1.01 -1.34 115.15 120.37 1n3s h HIS 11 Ca 0.05 0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.05 1n3s h HIS 11 Cb 0.67 0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.77 1n3s h HIS 11 CO 0.07 -0.23 -0.43 1.05 0.71 0.00 0.00 177.93 179.10 1n3s h GLU 12 N -0.26 0.00 -0.18 5.26 4.11 -1.38 -1.18 114.58 120.94 1n3s h GLU 12 Ca 0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.36 1n3s h GLU 12 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1n3s h GLU 12 CO -0.15 0.43 -0.40 0.00 0.07 0.00 0.00 179.01 178.96 1n3s h ALA 13 N 1.57 0.97 0.12 1.06 0.00 -0.97 -0.81 119.26 121.21 1n3s h ALA 13 Ca -0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 1n3s h ALA 13 Cb 0.83 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n3s h ALA 13 CO 0.06 0.62 -1.22 -0.07 0.00 0.00 0.00 179.25 178.63 1n3s h LEU 14 N 0.35 0.52 -0.73 0.00 3.38 -0.85 -3.19 115.31 114.80 1n3s h LEU 14 Ca 0.03 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1n3s h LEU 14 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1n3s h LEU 14 CO 0.07 1.39 -0.09 0.58 0.09 0.00 0.00 178.44 180.48 1n3s h VAL 15 N 0.12 1.26 0.00 1.22 2.07 -1.10 0.16 116.25 119.98 1n3s h VAL 15 Ca -0.14 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1n3s h VAL 15 Cb 1.93 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1n3s h VAL 15 CO 0.21 0.41 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1n3s h ALA 16 N 1.10 1.00 -0.15 1.67 0.00 -1.15 -2.62 119.26 119.10 1n3s h ALA 16 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n3s h ALA 16 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1n3s h ALA 16 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.83 1n3s n ARG 17 N -2.96 1.80 -2.58 0.00 1.74 -0.96 -5.00 116.66 108.70 1n3s n ARG 17 Ca -0.01 -1.53 -0.13 0.00 -0.77 0.00 0.00 57.85 55.42 1n3s n ARG 17 Cb 0.18 -1.18 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1n3s n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n3s n GLY 18 N 0.31 -0.03 0.22 -0.13 0.00 -0.79 -4.92 105.19 99.85 1n3s n GLY 18 Ca 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.23 1.18 -4.02 0.99 4.77 0.48 -5.02 117.00 113.15 1n3s n LEU 19 Ca -0.08 -0.72 -0.09 0.00 -0.03 0.00 0.00 56.01 55.09 1n3s n LEU 19 Cb 0.58 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1n3s n LEU 19 CO 0.24 0.24 -0.16 -1.61 -1.33 0.00 0.00 177.39 174.77 1n3s s GLU 20 N -1.62 0.97 -0.06 3.23 0.41 -1.16 -4.90 118.70 115.57 1n3s s GLU 20 Ca 0.09 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 53.11 1n3s s GLU 20 Cb 0.09 0.31 -0.03 0.00 -1.78 0.00 0.00 34.13 32.72 1n3s s GLU 20 CO 0.33 -0.31 1.17 0.99 -0.49 0.00 0.00 175.26 176.95 1n3s s THR 21 N -3.97 4.33 0.39 3.63 2.01 -1.26 -4.46 115.64 116.31 1n3s s THR 21 Ca 0.16 1.64 -0.28 0.00 0.31 0.00 0.00 61.69 63.53 1n3s s THR 21 Cb 0.05 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 1n3s s THR 21 CO -0.02 -0.00 1.48 -2.84 -0.69 0.00 0.00 174.62 172.55 1n3s s PRO 22 N 2.18 4.02 -0.10 4.92 0.02 -1.26 -4.92 135.00 139.86 1n3s s PRO 22 Ca 0.55 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.84 1n3s s PRO 22 Cb -0.24 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1n3s s PRO 22 CO 0.21 -0.60 1.43 -1.17 -0.33 0.00 0.00 177.00 176.54 1n3s s LEU 23 N -2.22 4.25 0.31 -5.54 2.96 -1.26 -5.02 118.68 112.16 1n3s s LEU 23 Ca 0.54 1.95 0.04 0.00 -0.22 0.00 0.00 54.13 56.44 1n3s s LEU 23 Cb -0.46 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.67 1n3s s LEU 23 CO 0.63 -0.82 0.46 -0.13 -1.32 0.00 0.00 176.35 175.17 1n3s s ARG 24 N 3.58 3.33 0.28 1.98 0.52 -1.26 -5.08 118.95 122.29 1n3s s ARG 24 Ca 0.63 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 1n3s s ARG 24 Cb -0.27 -2.79 -0.14 0.00 0.52 0.00 0.00 34.95 32.27 1n3s s ARG 24 CO 0.22 0.21 1.22 -2.30 0.02 0.00 0.00 175.30 174.67 1n3s n PRO 25 N -1.61 1.74 -1.57 3.54 -0.02 -1.26 -4.83 135.00 130.99 1n3s n PRO 25 Ca -0.05 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1n3s n PRO 25 Cb 0.57 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1n3s n PRO 25 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1n3s n PRO 26 N 1.17 1.49 0.00 0.52 -0.04 -1.26 -4.92 135.00 131.96 1n3s n PRO 26 Ca 0.09 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1n3s n PRO 26 Cb 0.32 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 7.82 0.00 0.00 0.52 0.31 -1.26 -5.14 118.33 120.58 1n3s n VAL 27 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1n3s n VAL 27 Cb 0.46 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1n3s n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n3s n HIS 28 N 0.00 0.00 0.00 3.52 1.44 -1.26 -5.19 115.22 113.72 1n3s n HIS 28 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1n3s n HIS 28 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1n3s n HIS 28 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1n3s n GLU 29 N -1.91 0.00 -2.85 -1.40 4.07 -1.26 -5.17 120.64 112.12 1n3s n GLU 29 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 1n3s n GLU 29 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 1n3s n GLU 29 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1n3s s MET 30 N 2.18 3.82 0.21 5.31 -1.94 -1.26 -5.07 119.30 122.54 1n3s s MET 30 Ca 0.00 0.53 -0.26 0.00 -1.71 0.00 0.00 55.69 54.25 1n3s s MET 30 Cb 0.00 -2.38 -0.08 0.00 2.01 0.00 0.00 34.83 34.38 1n3s s MET 30 CO 0.00 -0.03 0.82 0.34 -0.01 0.00 0.00 175.02 176.14 1n3s s ASP 31 N -3.05 7.40 0.47 3.03 2.15 -1.26 -4.96 116.67 120.45 1n3s s ASP 31 Ca 0.52 1.70 0.17 0.00 0.43 0.00 0.00 52.55 55.38 1n3s s ASP 31 Cb -0.10 -2.52 1.16 0.00 -0.30 0.00 0.00 42.92 41.16 1n3s s ASP 31 CO 0.30 0.15 2.01 0.78 -0.17 0.00 0.00 175.17 178.23 1n3s h ASN 32 N 4.04 0.22 1.62 -0.34 2.35 -2.00 -1.63 115.58 119.83 1n3s h ASN 32 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1n3s h ASN 32 Cb 1.20 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1n3s h ASN 32 CO 0.66 0.13 0.00 -0.33 -1.65 0.00 0.00 177.43 176.24 1n3s h GLU 33 N 0.24 0.00 0.06 0.81 5.08 -2.00 -3.04 114.58 115.73 1n3s h GLU 33 Ca 0.23 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.32 1n3s h GLU 33 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1n3s h GLU 33 CO -0.04 0.00 -1.37 1.15 -1.00 0.00 0.00 179.01 177.75 1n3s h THR 34 N 0.00 1.31 -0.61 1.13 2.02 -1.69 -2.97 112.91 112.10 1n3s h THR 34 Ca 0.00 -3.01 -0.05 0.00 0.77 0.00 0.00 66.41 64.12 1n3s h THR 34 Cb 0.81 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 1n3s h THR 34 CO 0.00 0.81 0.18 0.03 0.37 0.00 0.00 175.52 176.92 1n3s h ARG 35 N 0.03 0.95 -0.48 6.66 3.08 -1.44 -1.15 114.38 122.04 1n3s h ARG 35 Ca -0.17 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.59 1n3s h ARG 35 Cb 1.93 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.83 1n3s h ARG 35 CO 0.14 0.85 -0.03 0.87 -1.07 0.00 0.00 179.97 180.73 1n3s h LYS 36 N 0.87 0.87 -0.50 0.04 1.57 -1.63 -1.63 116.57 116.16 1n3s h LYS 36 Ca 0.20 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1n3s h LYS 36 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1n3s h LYS 36 CO -0.00 0.92 -0.02 1.03 -0.57 0.00 0.00 179.45 180.81 1n3s h SER 37 N 0.72 0.82 -0.19 0.86 0.87 -1.32 0.11 113.55 115.42 1n3s h SER 37 Ca 0.13 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 1n3s h SER 37 Cb 0.55 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1n3s h SER 37 CO 0.03 0.90 -0.58 -0.07 -0.53 0.00 0.00 176.83 176.58 1n3s h LEU 38 N 0.78 0.83 -0.47 2.23 3.38 -1.14 -1.29 115.31 119.64 1n3s h LEU 38 Ca 0.15 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1n3s h LEU 38 Cb 0.50 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n3s h LEU 38 CO 0.02 1.28 -0.18 0.40 0.09 0.00 0.00 178.44 180.05 1n3s h ILE 39 N 0.43 1.27 -0.65 1.22 2.04 -1.15 -1.33 117.51 119.35 1n3s h ILE 39 Ca -0.02 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1n3s h ILE 39 Cb 1.20 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1n3s h ILE 39 CO 0.12 0.46 0.26 0.00 0.00 0.00 0.00 178.15 178.99 1n3s h ALA 40 N 0.87 1.24 -0.49 1.87 0.00 -0.76 0.65 119.26 122.63 1n3s h ALA 40 Ca 0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1n3s h ALA 40 Cb 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n3s h ALA 40 CO 0.06 0.56 -0.14 0.78 0.00 0.00 0.00 179.25 180.51 1n3s h GLY 41 N 1.02 1.01 2.00 0.00 0.00 -0.90 -0.91 103.07 105.30 1n3s h GLY 41 Ca 0.22 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1n3s h GLY 41 CO -0.02 0.75 -0.53 0.45 0.00 0.00 0.00 176.54 177.19 1n3s h HIS 42 N 0.83 0.00 0.00 5.60 -0.00 -0.55 -2.75 115.15 118.28 1n3s h HIS 42 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.32 1n3s h HIS 42 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.07 1n3s h HIS 42 CO 0.04 0.53 -0.84 0.52 -0.00 0.00 0.00 177.93 178.18 1n3s h MET 43 N 0.00 0.00 -0.31 2.45 2.86 -0.59 -2.60 114.93 116.75 1n3s h MET 43 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1n3s h MET 43 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1n3s h MET 43 CO 0.07 0.84 -0.22 1.15 1.06 0.00 0.00 176.91 179.82 1n3s h THR 44 N 0.00 1.26 -0.22 2.22 2.02 -0.98 -2.11 112.91 115.11 1n3s h THR 44 Ca -0.01 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.85 1n3s h THR 44 Cb 1.54 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1n3s h THR 44 CO 0.11 0.41 -0.16 -0.33 0.37 0.00 0.00 175.52 175.91 1n3s h GLU 45 N 0.52 0.50 -0.62 6.66 4.39 -1.42 -2.38 114.58 122.23 1n3s h GLU 45 Ca 0.08 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1n3s h GLU 45 Cb 0.66 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1n3s h GLU 45 CO 0.05 0.81 0.40 0.82 -1.16 0.00 0.00 179.01 179.92 1n3s h ILE 46 N 0.20 1.17 0.00 3.13 2.04 -1.28 -1.80 117.51 120.96 1n3s h ILE 46 Ca 0.04 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1n3s h ILE 46 Cb 0.69 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1n3s h ILE 46 CO 0.04 0.17 -0.40 0.24 0.00 0.00 0.00 178.15 178.20 1n3s h MET 47 N 0.84 0.00 -0.15 2.37 2.86 -1.38 -2.70 114.93 116.77 1n3s h MET 47 Ca 0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.68 1n3s h MET 47 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1n3s h MET 47 CO -0.05 0.40 -0.67 1.96 1.06 0.00 0.00 176.91 179.61 1n3s h GLN 48 N 0.00 0.60 0.00 1.72 4.20 -0.95 -2.06 115.11 118.63 1n3s h GLN 48 Ca -0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1n3s h GLN 48 Cb 0.75 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1n3s h GLN 48 CO 0.05 1.06 0.00 1.28 -0.67 0.00 0.00 178.83 180.56 1n3s n LEU 49 N -3.92 0.00 -0.59 1.46 4.77 -0.72 -1.96 117.00 116.04 1n3s n LEU 49 Ca -0.05 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1n3s n LEU 49 Cb 0.68 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 41.64 1n3s n LEU 49 CO 0.49 -0.07 0.62 0.18 -1.33 0.00 0.00 177.39 177.28 1n3s n LEU 50 N -1.27 2.85 -3.60 2.23 4.77 -1.06 -5.00 117.00 115.92 1n3s n LEU 50 Ca 0.11 -1.99 -0.22 0.00 -0.03 0.00 0.00 56.01 53.88 1n3s n LEU 50 Cb 0.17 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1n3s n LEU 50 CO 0.17 0.71 0.12 0.59 -1.33 0.00 0.00 177.39 177.64 1n3s n ASN 51 N 0.44 -3.55 -4.75 -1.43 3.02 -0.83 -5.01 115.26 103.15 1n3s n ASN 51 Ca 0.11 -0.66 -0.35 0.00 -0.03 0.00 0.00 54.58 53.64 1n3s n ASN 51 Cb 0.41 -4.72 -0.08 0.00 -0.61 0.00 0.00 39.78 34.79 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 -6.84 4.13 -0.58 3.41 1.43 -0.80 -5.05 118.68 114.39 1n3s s LEU 52 Ca 0.27 0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.35 1n3s s LEU 52 Cb -0.12 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1n3s s LEU 52 CO 0.76 0.26 1.50 -0.62 0.23 0.00 0.00 176.35 178.48 1n3s s ASP 53 N -0.11 5.96 0.00 2.29 2.15 -1.26 -4.65 116.67 121.06 1n3s s ASP 53 Ca 0.09 0.25 0.24 0.00 0.43 0.00 0.00 52.55 53.56 1n3s s ASP 53 Cb -0.12 -2.54 1.27 0.00 -0.30 0.00 0.00 42.92 41.23 1n3s s ASP 53 CO 0.00 -1.85 1.84 0.18 -0.17 0.00 0.00 175.17 175.17 1n3s n LEU 54 N 10.18 0.42 0.05 -1.34 4.77 -1.26 -3.11 117.00 126.71 1n3s n LEU 54 Ca 0.13 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1n3s n LEU 54 Cb 0.50 -0.02 0.26 0.00 -2.33 0.00 0.00 43.42 41.82 1n3s n LEU 54 CO 0.71 0.08 0.50 0.00 -1.33 0.00 0.00 177.39 177.35 1n3s n ALA 55 N -0.58 2.87 -2.27 -1.18 0.00 -1.26 -4.26 120.51 113.83 1n3s n ALA 55 Ca 0.18 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1n3s n ALA 55 Cb 0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.00 7.38 0.00 0.00 2.15 -1.18 -4.93 116.67 116.09 1n3s s ASP 56 Ca 0.08 1.88 0.00 0.00 0.43 0.00 0.00 52.55 54.94 1n3s s ASP 56 Cb 0.14 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1n3s s ASP 56 CO 0.68 -0.16 0.50 -0.90 -0.17 0.00 0.00 175.17 175.11 1n3s n ASP 57 N 2.89 0.00 -0.09 -0.34 5.75 -1.26 -2.25 116.55 121.25 1n3s n ASP 57 Ca 0.03 -0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 1n3s n ASP 57 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.99 1.42 0.00 -1.12 2.88 -1.26 -4.57 113.62 109.98 1n3s n SER 58 Ca 0.00 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 57.87 1n3s n SER 58 Cb 0.00 -0.52 0.69 0.00 -0.75 0.00 0.00 64.21 63.63 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 -3.76 0.00 -0.10 2.46 4.77 -1.12 -3.64 117.00 115.61 1n3s n LEU 59 Ca -0.36 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 1n3s n LEU 59 Cb 0.76 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1n3s n LEU 59 CO 0.03 -0.02 0.67 -0.03 -1.33 0.00 0.00 177.39 176.71 1n3s h MET 60 N 0.00 0.63 -0.01 3.23 4.05 -1.63 -3.19 114.93 118.01 1n3s h MET 60 Ca 0.00 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1n3s h MET 60 Cb 0.28 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1n3s h MET 60 CO 0.00 0.85 -0.09 0.39 0.23 0.00 0.00 176.91 178.29 1n3s n GLU 61 N -4.41 1.33 -0.18 0.39 -0.58 -1.24 -4.37 120.64 111.58 1n3s n GLU 61 Ca -0.03 -0.75 -0.08 0.00 -0.42 0.00 0.00 57.16 55.89 1n3s n GLU 61 Cb 0.37 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.82 1.20 -0.27 2.62 2.02 -1.69 -2.54 112.91 116.07 1n3s h THR 62 Ca 0.00 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1n3s h THR 62 Cb 0.48 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1n3s h THR 62 CO 0.00 0.22 -0.01 -0.65 0.37 0.00 0.00 175.52 175.45 1n3s h PRO 63 N 0.70 0.41 -0.34 6.66 0.11 -1.78 -1.58 132.00 136.19 1n3s h PRO 63 Ca 0.18 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1n3s h PRO 63 Cb 0.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1n3s h PRO 63 CO -0.02 0.44 -0.28 1.25 -0.21 0.00 0.00 178.00 179.18 1n3s h HIS 64 N 0.40 0.80 -0.14 0.65 6.17 -1.82 -2.22 115.15 119.00 1n3s h HIS 64 Ca 0.09 -0.20 -0.22 0.00 0.71 0.00 0.00 60.37 60.75 1n3s h HIS 64 Cb 0.28 -0.19 0.01 0.00 2.52 0.00 0.00 27.41 30.03 1n3s h HIS 64 CO 0.01 0.90 -0.78 0.00 0.71 0.00 0.00 177.93 178.77 1n3s h ARG 65 N 0.60 0.73 0.00 5.26 3.08 -1.00 -1.67 114.38 121.38 1n3s h ARG 65 Ca 0.07 -0.60 -0.10 0.00 0.07 0.00 0.00 59.98 59.42 1n3s h ARG 65 Cb 0.79 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1n3s h ARG 65 CO 0.06 1.21 -0.48 0.82 -1.07 0.00 0.00 179.97 180.52 1n3s h ILE 66 N 0.49 1.33 -0.14 2.04 2.04 -1.28 -0.50 117.51 121.49 1n3s h ILE 66 Ca -0.05 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.07 1n3s h ILE 66 Cb 1.40 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1n3s h ILE 66 CO 0.16 0.47 -0.30 0.00 0.00 0.00 0.00 178.15 178.47 1n3s h ALA 67 N 1.52 0.22 -0.07 1.87 0.00 -1.33 -2.41 119.26 119.08 1n3s h ALA 67 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1n3s h ALA 67 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1n3s h ALA 67 CO 0.06 0.25 -0.28 -0.22 0.00 0.00 0.00 179.25 179.06 1n3s h LYS 68 N 0.05 0.12 0.03 0.00 3.64 -1.02 -2.54 116.57 116.85 1n3s h LYS 68 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1n3s h LYS 68 Cb 0.90 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1n3s h LYS 68 CO 0.07 0.40 -0.02 1.98 -2.27 0.00 0.00 179.45 179.61 1n3s h MET 69 N 0.11 -0.04 -0.39 1.90 4.05 -1.02 -1.63 114.93 117.90 1n3s h MET 69 Ca 0.02 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1n3s h MET 69 Cb 0.56 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1n3s h MET 69 CO 0.04 0.31 -0.17 1.88 0.23 0.00 0.00 176.91 179.20 1n3s h TYR 70 N -0.39 0.81 0.00 1.39 0.05 -1.29 -1.05 116.97 116.49 1n3s h TYR 70 Ca -0.00 -0.16 -0.15 0.00 0.05 0.00 0.00 58.73 58.46 1n3s h TYR 70 Cb 0.37 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1n3s h TYR 70 CO 0.04 0.85 -0.84 0.28 -1.05 0.00 0.00 178.16 177.44 1n3s h VAL 71 N 0.65 1.08 0.00 -2.88 2.07 -1.52 -3.38 116.25 112.28 1n3s h VAL 71 Ca 0.10 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 65.43 1n3s h VAL 71 Cb 0.65 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1n3s h VAL 71 CO 0.05 0.37 -1.90 0.47 0.02 0.00 0.00 177.57 176.57 1n3s n ASP 72 N -4.50 0.15 0.00 0.57 8.00 -0.62 -4.68 116.55 115.46 1n3s n ASP 72 Ca -0.24 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1n3s n ASP 72 Cb 0.59 1.59 0.00 0.00 -0.02 0.00 0.00 41.12 43.28 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 -2.40 0.00 0.06 -1.24 1.02 -0.96 -4.72 120.64 112.39 1n3s n GLU 73 Ca -0.08 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.15 1n3s n GLU 73 Cb 0.66 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.45 1n3s n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1n3s n ILE 74 N -1.08 0.99 -1.28 -3.67 -5.35 -0.44 -3.03 119.36 105.51 1n3s n ILE 74 Ca 0.00 0.27 0.08 0.00 -0.27 0.00 0.00 62.75 62.84 1n3s n ILE 74 Cb 0.00 -1.12 0.14 0.00 -1.74 0.00 0.00 39.64 36.92 1n3s n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3s n PHE 75 N -1.83 0.00 0.29 4.28 3.72 -1.26 -3.15 117.46 119.52 1n3s n PHE 75 Ca 0.03 -1.00 0.06 0.00 -0.05 0.00 0.00 57.45 56.49 1n3s n PHE 75 Cb 0.18 -0.16 0.28 0.00 -0.94 0.00 0.00 39.48 38.84 1n3s n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n3s n SER 76 N -1.22 0.18 0.00 4.37 3.41 -1.17 -2.16 113.62 117.03 1n3s n SER 76 Ca 0.15 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1n3s n SER 76 Cb 0.67 -0.59 0.55 0.00 -0.26 0.00 0.00 64.21 64.57 1n3s n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3s n GLY 77 N -0.61 -1.35 0.13 5.00 0.00 -0.05 -2.86 105.19 105.44 1n3s n GLY 77 Ca 0.02 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -8.39 0.99 3.38 -1.58 -3.42 115.31 106.29 1n3s h LEU 78 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1n3s h LEU 78 Cb 0.42 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.91 1n3s h LEU 78 CO 0.00 0.00 -0.63 -0.62 0.09 0.00 0.00 178.44 177.28 1n3s s ASP 79 N -4.85 5.09 0.00 -0.43 2.15 -1.14 -4.99 116.67 112.51 1n3s s ASP 79 Ca 0.09 -0.68 0.05 0.00 0.43 0.00 0.00 52.55 52.44 1n3s s ASP 79 Cb 0.11 -1.87 0.31 0.00 -0.30 0.00 0.00 42.92 41.16 1n3s s ASP 79 CO 0.59 -0.18 0.76 -1.22 -0.17 0.00 0.00 175.17 174.95 1n3s n TYR 80 N 4.86 0.00 0.16 -5.34 4.02 -1.26 -2.06 117.16 117.54 1n3s n TYR 80 Ca -0.15 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.85 1n3s n TYR 80 Cb 0.48 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.88 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 2.28 0.78 -0.15 -0.72 0.00 -1.91 -3.08 119.26 116.47 1n3s h ALA 81 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n3s h ALA 81 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n3s h ALA 81 CO 0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1n3s n ASN 82 N -2.96 1.89 -4.75 0.00 3.02 -0.88 -4.92 115.26 106.67 1n3s n ASN 82 Ca 0.02 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.45 1n3s n ASN 82 Cb 0.57 -0.09 -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 -1.82 2.90 0.61 3.10 5.36 -1.16 -4.96 117.98 122.01 1n3s s PHE 83 Ca 0.34 0.96 -0.19 0.00 -0.96 0.00 0.00 56.93 57.09 1n3s s PHE 83 Cb 0.19 -3.92 -0.03 0.00 -0.34 0.00 0.00 43.02 38.93 1n3s s PHE 83 CO 0.29 -2.98 1.26 -1.25 -1.46 0.00 0.00 175.22 171.08 1n3s s PRO 84 N -0.58 2.80 -0.68 10.12 0.04 -1.26 -4.94 135.00 140.50 1n3s s PRO 84 Ca 0.60 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 1n3s s PRO 84 Cb -0.44 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1n3s s PRO 84 CO 0.46 -1.38 1.31 0.15 0.04 0.00 0.00 177.00 177.58 1n3s s LYS 85 N -3.30 3.24 0.09 4.56 1.02 -1.26 -4.88 119.74 119.20 1n3s s LYS 85 Ca 0.79 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.47 1n3s s LYS 85 Cb -0.35 -4.15 -0.05 0.00 -0.52 0.00 0.00 37.83 32.76 1n3s s LYS 85 CO 0.37 -2.06 1.04 0.42 -0.92 0.00 0.00 175.35 174.21 1n3s s ILE 86 N 5.80 4.37 -0.14 2.17 -1.09 -1.26 -5.01 121.20 126.05 1n3s s ILE 86 Ca 0.41 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.70 1n3s s ILE 86 Cb -0.08 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1n3s s ILE 86 CO 0.19 0.23 -0.22 0.42 -1.23 0.00 0.00 174.94 174.33 1n3s s THR 87 N 0.41 2.04 -0.14 2.92 -4.23 -1.26 -5.07 115.64 110.31 1n3s s THR 87 Ca 0.51 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1n3s s THR 87 Cb -0.25 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 1n3s s THR 87 CO 0.30 0.55 -0.15 -0.76 -0.54 0.00 0.00 174.62 174.02 1n3s s LEU 88 N 0.83 2.54 -0.13 4.79 1.43 -1.26 -2.02 118.68 124.85 1n3s s LEU 88 Ca -0.07 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 1n3s s LEU 88 Cb -0.15 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1n3s s LEU 88 CO -0.02 0.12 0.32 -0.63 0.23 0.00 0.00 176.35 176.37 1n3s s ILE 89 N 0.59 5.27 0.16 -0.59 1.01 -0.15 -4.93 121.20 122.56 1n3s s ILE 89 Ca -0.09 0.60 -0.31 0.00 0.00 0.00 0.00 60.65 60.85 1n3s s ILE 89 Cb -0.16 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1n3s s ILE 89 CO 0.03 0.43 1.52 -0.70 0.00 0.00 0.00 174.94 176.21 1n3s s GLU 90 N 0.16 4.24 -1.40 2.79 2.12 -1.26 -1.29 118.70 124.06 1n3s s GLU 90 Ca 0.18 2.30 -0.15 0.00 0.36 0.00 0.00 54.97 57.65 1n3s s GLU 90 Cb -0.14 -3.17 0.05 0.00 0.26 0.00 0.00 34.13 31.13 1n3s s GLU 90 CO 0.06 -0.55 2.06 -1.71 -0.54 0.00 0.00 175.26 174.58 1n3s n ASN 91 N 3.76 4.22 -1.84 -1.70 5.15 -0.94 -4.60 115.26 119.31 1n3s n ASN 91 Ca 0.12 -2.87 -0.12 0.00 -0.60 0.00 0.00 54.58 51.12 1n3s n ASN 91 Cb 0.39 -1.69 0.23 0.00 -0.53 0.00 0.00 39.78 38.19 1n3s n ASN 91 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1n3s n LYS 92 N 6.91 2.68 -0.09 1.20 4.81 -1.26 -3.06 118.16 129.36 1n3s n LYS 92 Ca 0.51 -3.07 -0.08 0.00 -0.87 0.00 0.00 58.31 54.81 1n3s n LYS 92 Cb 0.41 -2.09 -0.16 0.00 0.02 0.00 0.00 35.03 33.21 1n3s n LYS 92 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1n3s n MET 93 N -0.79 0.69 -2.49 1.64 2.81 -1.26 -4.98 117.12 112.74 1n3s n MET 93 Ca 0.46 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 56.15 1n3s n MET 93 Cb 1.40 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 32.38 1n3s n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3s n LYS 94 N -2.71 -2.16 -2.81 0.03 4.01 -1.17 -4.94 118.16 108.40 1n3s n LYS 94 Ca -0.30 0.82 -0.41 0.00 -0.51 0.00 0.00 58.31 57.91 1n3s n LYS 94 Cb 1.09 -5.48 -0.03 0.00 -0.51 0.00 0.00 35.03 30.10 1n3s n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3s s VAL 95 N -2.88 4.91 -0.28 -0.18 1.01 -1.26 -4.93 120.40 116.79 1n3s s VAL 95 Ca 0.03 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.90 1n3s s VAL 95 Cb -0.02 -4.23 0.35 0.00 0.00 0.00 0.00 36.38 32.48 1n3s s VAL 95 CO 0.04 0.17 1.63 -0.67 0.00 0.00 0.00 175.10 176.27 1n3s n ASP 96 N 4.00 4.15 -4.97 3.32 -0.08 -1.26 -4.51 116.55 117.20 1n3s n ASP 96 Ca 0.04 -2.97 -0.21 0.00 -1.51 0.00 0.00 54.79 50.14 1n3s n ASP 96 Cb 0.51 -0.77 0.02 0.00 2.34 0.00 0.00 41.12 43.22 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 -1.93 2.77 -0.05 -0.67 -1.05 -1.26 -5.00 118.70 111.51 1n3s s GLU 97 Ca 0.33 -0.75 0.05 0.00 -0.15 0.00 0.00 54.97 54.45 1n3s s GLU 97 Cb 0.28 -2.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 1n3s s GLU 97 CO 0.05 -0.48 -0.19 0.00 0.95 0.00 0.00 175.26 175.58 1n3s s MET 98 N -4.62 2.51 -0.16 -4.83 0.23 -1.26 -3.66 119.30 107.51 1n3s s MET 98 Ca 0.53 -0.80 -0.04 0.00 -1.03 0.00 0.00 55.69 54.36 1n3s s MET 98 Cb -0.10 -2.28 -0.03 0.00 -1.53 0.00 0.00 34.83 30.89 1n3s s MET 98 CO 0.37 0.51 -0.03 0.08 -2.03 0.00 0.00 175.02 173.92 1n3s s VAL 99 N -0.46 3.92 -0.13 5.16 1.01 -0.30 -4.99 120.40 124.60 1n3s s VAL 99 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1n3s s VAL 99 Cb -0.12 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1n3s s VAL 99 CO 0.01 0.48 -0.11 -0.89 0.00 0.00 0.00 175.10 174.60 1n3s s THR 100 N 0.44 1.29 -0.35 3.92 2.01 -1.26 -1.56 115.64 120.13 1n3s s THR 100 Ca -0.03 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1n3s s THR 100 Cb -0.14 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.15 1n3s s THR 100 CO 0.03 0.40 0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 1n3s s VAL 101 N 1.60 3.89 0.36 3.82 1.01 0.88 -4.98 120.40 126.99 1n3s s VAL 101 Ca 0.05 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.93 1n3s s VAL 101 Cb -0.13 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1n3s s VAL 101 CO -0.09 -0.24 0.40 0.00 0.00 0.00 0.00 175.10 175.16 1n3s s ARG 102 N 1.41 2.81 -1.58 2.72 1.70 -1.26 -0.43 118.95 124.32 1n3s s ARG 102 Ca -0.00 -1.26 -0.09 0.00 -0.47 0.00 0.00 55.73 53.91 1n3s s ARG 102 Cb -0.20 -2.59 0.08 0.00 -0.57 0.00 0.00 34.95 31.67 1n3s s ARG 102 CO 0.03 -0.02 0.47 -0.25 -1.08 0.00 0.00 175.30 174.45 1n3s n ASP 103 N -1.54 -1.20 -4.69 -2.89 8.00 -0.91 -4.92 116.55 108.40 1n3s n ASP 103 Ca 0.01 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1n3s n ASP 103 Cb 0.60 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.15 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 -3.76 4.33 0.04 0.53 1.01 0.31 -4.79 121.20 118.88 1n3s s ILE 104 Ca 0.33 1.65 -0.31 0.00 0.00 0.00 0.00 60.65 62.32 1n3s s ILE 104 Cb -0.18 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1n3s s ILE 104 CO 0.94 0.00 1.93 0.41 0.00 0.00 0.00 174.94 178.22 1n3s n THR 105 N 4.59 0.66 -4.00 2.92 -1.04 -1.26 -0.48 114.28 115.67 1n3s n THR 105 Ca 0.11 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 1n3s n THR 105 Cb 0.47 -2.22 -0.16 0.00 -1.82 0.00 0.00 70.33 66.60 1n3s n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n3s s LEU 106 N 4.04 2.00 -0.26 -4.42 0.20 -0.89 -4.74 118.68 114.62 1n3s s LEU 106 Ca 0.88 -0.71 0.03 0.00 0.69 0.00 0.00 54.13 55.02 1n3s s LEU 106 Cb -0.48 -1.20 0.06 0.00 -0.43 0.00 0.00 46.19 44.14 1n3s s LEU 106 CO 0.42 -0.11 -0.10 0.42 -0.29 0.00 0.00 176.35 176.69 1n3s s THR 107 N 1.44 2.06 0.06 3.68 -4.23 -1.26 -1.27 115.64 116.13 1n3s s THR 107 Ca 0.01 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1n3s s THR 107 Cb -0.15 -2.20 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1n3s s THR 107 CO -0.09 -0.04 0.01 -0.24 -0.54 0.00 0.00 174.62 173.72 1n3s n SER 108 N 4.47 1.35 -3.74 3.99 2.88 -0.89 -4.08 113.62 117.61 1n3s n SER 108 Ca -0.14 -1.30 -0.13 0.00 -1.33 0.00 0.00 58.87 55.98 1n3s n SER 108 Cb 0.42 0.11 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.59 -0.05 0.13 2.46 2.01 -1.25 -2.00 115.64 115.36 1n3s s THR 109 Ca 0.02 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1n3s s THR 109 Cb 0.00 -0.30 -0.07 0.00 0.01 0.00 0.00 72.50 72.13 1n3s s THR 109 CO 0.01 0.07 1.26 0.00 -0.69 0.00 0.00 174.62 175.27 1n3s n GLU 111 N 3.28 0.08 0.07 0.00 0.28 -0.24 -0.50 120.64 123.62 1n3s n GLU 111 Ca 0.08 0.23 -0.09 0.00 -0.16 0.00 0.00 57.16 57.22 1n3s n GLU 111 Cb 0.44 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.57 1n3s n GLU 111 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 1n3s h HIS 112 N 0.00 0.14 0.00 -1.84 2.07 -1.92 -3.40 115.15 110.20 1n3s h HIS 112 Ca 0.00 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 1n3s h HIS 112 Cb 0.39 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1n3s h HIS 112 CO 0.00 1.06 0.00 0.43 -3.07 0.00 0.00 177.93 176.35 1n3s n SER 113 N -3.42 0.01 -2.87 3.10 7.64 -1.21 -5.03 113.62 111.84 1n3s n SER 113 Ca -0.02 -1.00 -0.20 0.00 1.01 0.00 0.00 58.87 58.65 1n3s n SER 113 Cb 0.95 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.64 -4.15 1.43 3.01 0.35 -4.99 117.46 111.47 1n3s n PHE 114 Ca 0.00 0.31 -0.32 0.00 1.01 0.00 0.00 57.45 58.45 1n3s n PHE 114 Cb 0.32 -3.70 -0.08 0.00 -0.01 0.00 0.00 39.48 36.01 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 -2.99 4.39 0.27 -4.37 1.01 -1.25 -4.83 120.40 112.64 1n3s s VAL 115 Ca 0.21 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1n3s s VAL 115 Cb -0.10 -3.03 -0.14 0.00 0.00 0.00 0.00 36.38 33.11 1n3s s VAL 115 CO 0.26 0.26 1.15 0.41 0.00 0.00 0.00 175.10 177.18 1n3s n THR 116 N 0.95 1.66 -4.07 3.92 -1.04 -1.26 -0.88 114.28 113.55 1n3s n THR 116 Ca -0.12 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 61.16 1n3s n THR 116 Cb 0.52 -1.17 -0.16 0.00 -1.82 0.00 0.00 70.33 67.70 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 -0.77 1.86 -0.36 12.58 1.01 -0.85 -1.93 121.20 132.73 1n3s s ILE 117 Ca 0.62 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1n3s s ILE 117 Cb -0.69 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1n3s s ILE 117 CO 0.58 0.46 0.22 -0.62 0.00 0.00 0.00 174.94 175.57 1n3s s ASP 118 N 1.36 5.81 0.32 3.58 2.15 -0.45 -2.08 116.67 127.36 1n3s s ASP 118 Ca 0.04 -0.75 0.03 0.00 0.43 0.00 0.00 52.55 52.30 1n3s s ASP 118 Cb -0.13 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1n3s s ASP 118 CO -0.11 -0.32 0.11 -0.83 -0.17 0.00 0.00 175.17 173.85 1n3s s GLY 119 N 1.62 2.10 -0.03 2.66 0.00 -0.39 -0.45 107.32 112.83 1n3s s GLY 119 Ca 0.04 -1.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 1n3s s GLY 119 CO 0.08 -1.70 0.04 0.54 0.00 0.00 0.00 173.10 172.06 1n3s s LYS 120 N -3.87 -0.03 0.08 2.90 3.01 0.37 -2.09 119.74 120.12 1n3s s LYS 120 Ca 0.34 0.21 0.05 0.00 -1.01 0.00 0.00 55.97 55.56 1n3s s LYS 120 Cb 0.06 -0.25 -0.04 0.00 -1.01 0.00 0.00 37.83 36.59 1n3s s LYS 120 CO 0.15 -0.18 -0.01 0.00 0.51 0.00 0.00 175.35 175.83 1n3s s ALA 121 N 1.13 3.27 -0.09 5.17 0.00 0.37 -0.78 121.76 130.83 1n3s s ALA 121 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1n3s s ALA 121 Cb -0.13 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1n3s s ALA 121 CO -0.03 0.69 -0.08 0.99 0.00 0.00 0.00 175.76 177.33 1n3s s THR 122 N -1.28 1.00 -0.05 0.00 2.01 0.23 -0.53 115.64 117.02 1n3s s THR 122 Ca 0.25 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1n3s s THR 122 Cb -0.12 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 1n3s s THR 122 CO 0.17 0.35 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1n3s s VAL 123 N 1.35 1.52 0.03 3.82 1.01 0.43 -0.90 120.40 127.66 1n3s s VAL 123 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1n3s s VAL 123 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1n3s s VAL 123 CO -0.04 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 1n3s s ALA 124 N 0.02 0.68 0.14 5.51 0.00 -0.08 -0.08 121.76 127.95 1n3s s ALA 124 Ca -0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1n3s s ALA 124 Cb -0.12 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1n3s s ALA 124 CO 0.02 0.08 0.49 1.52 0.00 0.00 0.00 175.76 177.87 1n3s s TYR 125 N -0.88 -0.36 -0.29 0.00 1.13 -0.60 -0.01 117.35 116.35 1n3s s TYR 125 Ca -0.04 0.11 -0.01 0.00 -1.41 0.00 0.00 57.07 55.72 1n3s s TYR 125 Cb -0.07 0.39 0.05 0.00 -1.10 0.00 0.00 41.96 41.23 1n3s s TYR 125 CO 0.00 -0.76 -0.03 0.42 -2.51 0.00 0.00 175.55 172.68 1n3s s ILE 126 N -3.70 2.87 0.24 -3.49 1.01 -0.90 -1.15 121.20 116.07 1n3s s ILE 126 Ca 0.02 -1.35 -0.31 0.00 0.00 0.00 0.00 60.65 59.00 1n3s s ILE 126 Cb 0.01 -2.62 -0.13 0.00 0.01 0.00 0.00 42.46 39.72 1n3s s ILE 126 CO -0.12 -0.04 1.45 -2.65 0.00 0.00 0.00 174.94 173.58 1n3s n PRO 127 N 4.61 2.13 0.00 2.79 -0.02 -1.24 -4.85 135.00 138.41 1n3s n PRO 127 Ca -0.14 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1n3s n PRO 127 Cb 0.44 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.22 0.00 0.00 -0.52 4.81 -1.26 -4.66 118.16 118.75 1n3s n LYS 128 Ca 0.12 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1n3s n LYS 128 Cb 0.32 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.38 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 1.66 -3.78 3.14 8.00 -1.26 -4.84 116.55 119.46 1n3s n ASP 129 Ca 0.00 -1.31 -0.11 0.00 0.71 0.00 0.00 54.79 54.08 1n3s n ASP 129 Cb 0.00 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 41.58 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 -2.62 -0.08 -0.17 -2.24 1.04 -1.26 -2.22 113.70 106.16 1n3s s SER 130 Ca 0.16 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1n3s s SER 130 Cb 0.18 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1n3s s SER 130 CO 0.64 -0.58 -0.18 -0.69 0.98 0.00 0.00 173.24 173.41 1n3s s VAL 131 N -2.44 2.36 0.44 5.02 1.01 -0.41 -4.65 120.40 121.73 1n3s s VAL 131 Ca -0.06 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1n3s s VAL 131 Cb -0.01 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 1n3s s VAL 131 CO -0.03 0.52 0.88 -0.51 0.00 0.00 0.00 175.10 175.97 1n3s s ILE 132 N 1.06 4.60 0.17 2.22 2.07 -1.26 -0.98 121.20 129.08 1n3s s ILE 132 Ca -0.01 1.06 -0.31 0.00 -1.41 0.00 0.00 60.65 59.99 1n3s s ILE 132 Cb -0.14 -3.68 -0.09 0.00 0.13 0.00 0.00 42.46 38.67 1n3s s ILE 132 CO -0.06 -0.50 1.42 -0.83 -1.91 0.00 0.00 174.94 173.07 1n3s s GLY 133 N -2.81 2.06 0.16 1.50 0.00 -0.86 -4.91 107.32 102.46 1n3s s GLY 133 Ca 0.57 1.21 -0.24 0.00 0.00 0.00 0.00 44.72 46.27 1n3s s GLY 133 CO 0.26 2.34 1.60 1.41 0.00 0.00 0.00 173.10 178.71 1n3s h LEU 134 N 6.13 -1.06 -2.23 0.66 3.38 -1.95 -2.21 115.31 118.04 1n3s h LEU 134 Ca -0.44 0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1n3s h LEU 134 Cb 1.21 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1n3s h LEU 134 CO 0.84 -0.33 0.03 0.77 0.09 0.00 0.00 178.44 179.85 1n3s h SER 135 N -0.28 0.00 0.37 -0.43 4.64 -2.01 -1.58 113.55 114.26 1n3s h SER 135 Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1n3s h SER 135 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1n3s h SER 135 CO -0.49 0.00 -0.12 0.11 -0.87 0.00 0.00 176.83 175.45 1n3s h LYS 136 N 0.00 0.00 -0.26 4.77 1.79 -1.79 -0.83 116.57 120.25 1n3s h LYS 136 Ca 0.02 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.30 1n3s h LYS 136 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1n3s h LYS 136 CO -0.00 0.12 -0.56 0.82 -1.08 0.00 0.00 179.45 178.75 1n3s h ILE 137 N 0.00 1.28 -0.35 1.86 2.04 -1.35 -0.68 117.51 120.32 1n3s h ILE 137 Ca -0.00 -1.76 -0.07 0.00 1.00 0.00 0.00 64.86 64.03 1n3s h ILE 137 Cb 0.34 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1n3s h ILE 137 CO 0.02 0.57 -0.04 0.78 0.00 0.00 0.00 178.15 179.47 1n3s h ASN 138 N 0.63 0.64 -0.32 1.72 -0.26 -1.47 -2.49 115.58 114.04 1n3s h ASN 138 Ca 0.01 -0.34 -0.07 0.00 -0.56 0.00 0.00 56.30 55.34 1n3s h ASN 138 Cb 1.17 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 1n3s h ASN 138 CO 0.12 0.83 -0.05 0.03 -1.06 0.00 0.00 177.43 177.30 1n3s h ARG 139 N 0.44 0.70 -0.42 0.81 3.08 -1.09 -1.06 114.38 116.84 1n3s h ARG 139 Ca 0.09 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1n3s h ARG 139 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1n3s h ARG 139 CO 0.03 0.75 -0.20 0.82 -1.07 0.00 0.00 179.97 180.30 1n3s h ILE 140 N 0.65 1.28 -0.51 2.04 2.04 -1.08 0.48 117.51 122.40 1n3s h ILE 140 Ca 0.12 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1n3s h ILE 140 Cb 0.47 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1n3s h ILE 140 CO 0.02 0.45 0.23 0.58 0.00 0.00 0.00 178.15 179.44 1n3s h VAL 141 N 0.69 1.20 0.00 1.67 2.07 -1.15 -2.53 116.25 118.20 1n3s h VAL 141 Ca 0.09 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1n3s h VAL 141 Cb 0.76 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1n3s h VAL 141 CO 0.06 0.23 -0.33 1.56 0.02 0.00 0.00 177.57 179.11 1n3s h GLN 142 N 0.68 0.00 0.02 1.57 1.08 -1.06 -1.35 115.11 116.06 1n3s h GLN 142 Ca 0.17 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1n3s h GLN 142 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1n3s h GLN 142 CO -0.02 0.33 -0.01 0.35 -0.95 0.00 0.00 178.83 178.52 1n3s h PHE 143 N 0.00 -0.03 0.00 2.96 3.57 -0.51 -2.07 116.94 120.86 1n3s h PHE 143 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1n3s h PHE 143 Cb 0.94 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1n3s h PHE 143 CO 0.00 0.32 -0.16 0.74 -2.23 0.00 0.00 178.31 176.98 1n3s h PHE 144 N -0.38 0.00 -0.08 0.41 0.04 -1.43 -3.19 116.94 112.31 1n3s h PHE 144 Ca -0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1n3s h PHE 144 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1n3s h PHE 144 CO 0.04 0.16 -0.77 0.00 -0.60 0.00 0.00 178.31 177.15 1n3s h ALA 145 N 1.84 0.51 0.00 2.45 0.00 -1.12 -3.36 119.26 119.58 1n3s h ALA 145 Ca -0.00 -0.62 -0.66 0.00 0.00 0.00 0.00 54.91 53.63 1n3s h ALA 145 Cb 0.87 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n3s h ALA 145 CO 0.02 0.76 3.11 1.04 0.00 0.00 0.00 179.25 184.17 1n3s n GLN 146 N -3.84 2.73 -3.59 0.00 1.13 -0.79 -4.18 117.38 108.84 1n3s n GLN 146 Ca -0.05 -2.25 -0.10 0.00 -1.94 0.00 0.00 57.00 52.66 1n3s n GLN 146 Cb 0.73 -3.02 -0.02 0.00 0.11 0.00 0.00 30.24 28.04 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 3.30 1.40 -0.54 -1.09 0.52 -1.19 -0.87 118.95 120.48 1n3s s ARG 147 Ca 0.54 -0.63 -0.28 0.00 -0.52 0.00 0.00 55.73 54.84 1n3s s ARG 147 Cb 0.15 0.57 0.01 0.00 0.52 0.00 0.00 34.95 36.20 1n3s s ARG 147 CO -0.04 -0.62 1.40 -2.14 0.02 0.00 0.00 175.30 173.92 1n3s s PRO 148 N -3.72 3.35 0.37 3.54 0.02 -1.26 -3.81 135.00 133.49 1n3s s PRO 148 Ca 0.05 0.52 0.08 0.00 0.02 0.00 0.00 61.00 61.67 1n3s s PRO 148 Cb -0.03 -4.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.36 1n3s s PRO 148 CO -0.05 -1.87 0.26 -0.65 -0.33 0.00 0.00 177.00 174.35 1n3s s GLN 149 N 5.40 2.48 -0.11 5.54 -1.52 0.53 -4.54 119.66 127.44 1n3s s GLN 149 Ca 0.53 -1.53 -0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1n3s s GLN 149 Cb -0.11 -2.28 0.02 0.00 -0.22 0.00 0.00 33.01 30.43 1n3s s GLN 149 CO 0.26 -0.02 -0.08 0.08 -0.25 0.00 0.00 175.29 175.28 1n3s s VAL 150 N -2.44 1.04 0.31 1.09 1.01 -1.26 -1.08 120.40 119.08 1n3s s VAL 150 Ca 0.42 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.19 1n3s s VAL 150 Cb -0.02 -1.06 0.31 0.00 0.00 0.00 0.00 36.38 35.61 1n3s s VAL 150 CO 0.25 0.37 1.73 -0.61 0.00 0.00 0.00 175.10 176.85 1n3s h GLN 151 N 8.17 0.58 -0.18 2.72 4.15 -1.98 -0.54 115.11 128.03 1n3s h GLN 151 Ca -0.30 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.96 1n3s h GLN 151 Cb 1.13 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1n3s h GLN 151 CO 0.41 0.38 -0.43 0.93 -1.93 0.00 0.00 178.83 178.19 1n3s h GLU 152 N 0.60 0.43 0.04 1.69 3.07 -1.97 -2.20 114.58 116.24 1n3s h GLU 152 Ca 0.63 -0.22 -0.23 0.00 -0.50 0.00 0.00 59.36 59.04 1n3s h GLU 152 Cb 1.16 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1n3s h GLU 152 CO -0.46 0.79 -0.90 -0.09 -1.40 0.00 0.00 179.01 176.94 1n3s h ARG 153 N 0.35 0.54 -0.88 2.33 2.43 -1.78 -3.06 114.38 114.32 1n3s h ARG 153 Ca 0.03 -0.64 0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1n3s h ARG 153 Cb 0.91 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 1n3s h ARG 153 CO 0.08 1.25 0.54 1.25 -1.51 0.00 0.00 179.97 181.58 1n3s h LEU 154 N 0.11 0.84 -0.59 3.80 5.85 -1.05 -0.09 115.31 124.18 1n3s h LEU 154 Ca -0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1n3s h LEU 154 Cb 1.60 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1n3s h LEU 154 CO 0.18 0.52 0.08 0.74 -0.34 0.00 0.00 178.44 179.61 1n3s h THR 155 N 0.96 1.26 -0.21 1.05 2.02 -1.44 -2.75 112.91 113.80 1n3s h THR 155 Ca 0.40 -1.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 1n3s h THR 155 Cb 0.23 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1n3s h THR 155 CO -0.20 0.37 -0.46 1.56 0.37 0.00 0.00 175.52 177.17 1n3s h GLN 156 N 0.89 0.54 -0.50 6.66 1.08 -1.22 -2.19 115.11 120.37 1n3s h GLN 156 Ca 0.18 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.02 1n3s h GLN 156 Cb 0.45 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1n3s h GLN 156 CO 0.01 0.89 0.07 1.96 -0.95 0.00 0.00 178.83 180.81 1n3s h GLN 157 N 0.44 0.84 -0.16 1.46 4.20 -0.96 -1.36 115.11 119.57 1n3s h GLN 157 Ca 0.03 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 1n3s h GLN 157 Cb 0.97 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1n3s h GLN 157 CO 0.09 0.84 -0.41 0.82 -0.67 0.00 0.00 178.83 179.50 1n3s h ILE 158 N 0.72 1.31 0.70 2.54 2.04 -1.43 -1.70 117.51 121.69 1n3s h ILE 158 Ca 0.15 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1n3s h ILE 158 Cb 0.42 1.64 0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1n3s h ILE 158 CO 0.01 0.47 -0.34 0.25 0.00 0.00 0.00 178.15 178.55 1n3s h LEU 159 N 0.30 -0.80 -0.88 1.44 5.85 -1.11 -2.02 115.31 118.10 1n3s h LEU 159 Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1n3s h LEU 159 Cb 0.85 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1n3s h LEU 159 CO 0.07 -0.43 0.56 0.40 -0.34 0.00 0.00 178.44 178.70 1n3s h ILE 160 N -1.23 1.11 -0.55 4.05 1.08 -1.29 0.22 117.51 120.90 1n3s h ILE 160 Ca -0.10 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1n3s h ILE 160 Cb 0.72 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1n3s h ILE 160 CO 0.16 0.20 0.33 0.00 -0.69 0.00 0.00 178.15 178.14 1n3s h ALA 161 N 1.38 0.70 -0.12 1.87 0.00 -1.33 0.46 119.26 122.23 1n3s h ALA 161 Ca 0.36 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1n3s h ALA 161 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1n3s h ALA 161 CO -0.14 0.19 -0.68 -0.07 0.00 0.00 0.00 179.25 178.55 1n3s h LEU 162 N 0.74 0.55 -0.57 0.00 3.38 -0.65 -2.37 115.31 116.40 1n3s h LEU 162 Ca 0.20 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1n3s h LEU 162 Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1n3s h LEU 162 CO -0.04 1.07 0.13 1.56 0.09 0.00 0.00 178.44 181.26 1n3s h GLN 163 N 0.34 0.92 -0.21 1.13 4.20 -0.61 -1.52 115.11 119.36 1n3s h GLN 163 Ca -0.02 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 1n3s h GLN 163 Cb 1.24 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1n3s h GLN 163 CO 0.12 0.86 -0.05 1.15 -0.67 0.00 0.00 178.83 180.24 1n3s h THR 164 N 0.82 1.29 -0.12 -0.54 2.02 -0.88 0.46 112.91 115.96 1n3s h THR 164 Ca 0.18 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 1n3s h THR 164 Cb 0.36 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1n3s h THR 164 CO 0.00 0.32 -0.35 -0.07 0.37 0.00 0.00 175.52 175.79 1n3s h LEU 165 N 0.14 0.25 0.00 2.58 3.38 -1.41 -3.13 115.31 117.12 1n3s h LEU 165 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n3s h LEU 165 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n3s h LEU 165 CO 0.02 0.59 -1.00 0.18 0.09 0.00 0.00 178.44 178.32 1n3s n LEU 166 N -4.07 0.63 -1.82 1.67 4.77 -0.58 -4.98 117.00 112.61 1n3s n LEU 166 Ca -0.01 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1n3s n LEU 166 Cb 0.44 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1n3s n LEU 166 CO 0.41 -0.01 -0.13 0.61 -1.33 0.00 0.00 177.39 176.94 1n3s n GLY 167 N 1.33 -0.20 3.05 -0.72 0.00 0.12 -4.49 105.19 104.28 1n3s n GLY 167 Ca 0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.81 0.07 -0.36 2.61 2.01 -1.01 -4.87 115.64 111.29 1n3s s THR 168 Ca 0.07 -0.58 0.23 0.00 0.31 0.00 0.00 61.69 61.72 1n3s s THR 168 Cb -0.03 -0.33 0.15 0.00 0.01 0.00 0.00 72.50 72.30 1n3s s THR 168 CO 0.08 -0.32 1.31 0.78 -0.69 0.00 0.00 174.62 175.78 1n3s h ASN 169 N 4.76 0.00 0.00 3.53 2.35 -1.93 -3.40 115.58 120.89 1n3s h ASN 169 Ca -0.30 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 54.88 1n3s h ASN 169 Cb 1.20 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.62 1n3s h ASN 169 CO 0.41 0.01 2.17 0.59 -1.65 0.00 0.00 177.43 178.96 1n3s n ASN 170 N -2.80 2.64 -3.97 5.81 3.02 -1.26 -2.15 115.26 116.55 1n3s n ASN 170 Ca 0.02 -2.55 -0.14 0.00 -0.03 0.00 0.00 54.58 51.87 1n3s n ASN 170 Cb 0.53 -1.00 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 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 4.96 0.36 -0.05 2.41 1.01 -1.24 -2.12 120.40 125.74 1n3s s VAL 171 Ca 0.52 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1n3s s VAL 171 Cb 0.13 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.17 1n3s s VAL 171 CO 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 175.10 175.07 1n3s s ALA 172 N -0.46 1.04 -0.06 5.51 0.00 0.99 -1.22 121.76 127.56 1n3s s ALA 172 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1n3s s ALA 172 Cb -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1n3s s ALA 172 CO -0.00 0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.80 1n3s s VAL 173 N 0.58 1.22 -0.05 0.00 1.01 0.05 -0.90 120.40 122.32 1n3s s VAL 173 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1n3s s VAL 173 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1n3s s VAL 173 CO 0.02 0.37 -0.03 -0.55 0.00 0.00 0.00 175.10 174.91 1n3s s SER 174 N 0.40 1.01 -0.15 3.32 0.15 -0.08 0.51 113.70 118.86 1n3s s SER 174 Ca -0.10 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1n3s s SER 174 Cb -0.14 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1n3s s SER 174 CO 0.03 -0.09 -0.16 -0.63 1.20 0.00 0.00 173.24 173.59 1n3s s ILE 175 N 1.15 2.57 -0.30 6.45 1.01 0.05 -0.60 121.20 131.53 1n3s s ILE 175 Ca -0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1n3s s ILE 175 Cb -0.14 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.27 1n3s s ILE 175 CO -0.01 0.52 0.08 -0.62 0.00 0.00 0.00 174.94 174.91 1n3s s ASP 176 N 0.82 5.15 0.04 3.58 2.15 0.04 -1.13 116.67 127.32 1n3s s ASP 176 Ca -0.05 -0.78 0.00 0.00 0.43 0.00 0.00 52.55 52.15 1n3s s ASP 176 Cb -0.15 -1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 1n3s s ASP 176 CO -0.00 -0.21 -0.04 0.00 -0.17 0.00 0.00 175.17 174.74 1n3s s ALA 177 N 1.48 0.37 -0.22 3.66 0.00 0.87 -0.48 121.76 127.44 1n3s s ALA 177 Ca 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1n3s s ALA 177 Cb -0.18 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1n3s s ALA 177 CO 0.02 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 175.65 1n3s s VAL 178 N -2.17 3.49 -0.20 0.00 1.01 0.40 -0.20 120.40 122.73 1n3s s VAL 178 Ca -0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1n3s s VAL 178 Cb -0.05 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1n3s s VAL 178 CO -0.03 0.42 0.40 -1.00 0.00 0.00 0.00 175.10 174.88 1n3s s HIS 179 N 1.46 3.38 -1.26 5.22 3.76 -1.26 -1.34 115.29 125.25 1n3s s HIS 179 Ca 0.05 0.62 0.24 0.00 -0.15 0.00 0.00 55.06 55.83 1n3s s HIS 179 Cb -0.14 -2.52 1.15 0.00 1.11 0.00 0.00 32.58 32.18 1n3s s HIS 179 CO -0.02 0.00 1.80 0.66 -0.85 0.00 0.00 174.74 176.33 1n3s n TYR 180 N 4.42 0.00 0.77 1.40 4.02 -0.81 -1.39 117.16 125.56 1n3s n TYR 180 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.93 1n3s n TYR 180 Cb 0.51 -0.37 0.35 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.89 1.31 -0.07 0.00 0.31 -0.88 -4.40 118.33 112.70 1n3s n VAL 182 Ca 0.05 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 1n3s n VAL 182 Cb 0.39 -1.15 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.00 0.00 -0.63 5.55 3.64 -1.24 -1.88 116.57 122.00 1n3s h LYS 183 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1n3s h LYS 183 Cb 1.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1n3s h LYS 183 CO -0.06 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1n3s n ALA 184 N -2.92 3.62 -3.61 5.00 0.00 -0.23 -3.78 120.51 118.59 1n3s n ALA 184 Ca -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 53.44 51.59 1n3s n ALA 184 Cb 0.41 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.44 0.93 5.33 0.00 3.52 -1.24 -4.99 118.95 120.07 1n3s s ARG 185 Ca 0.49 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1n3s s ARG 185 Cb 0.36 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 34.12 1n3s s ARG 185 CO 0.16 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1n3s n GLY 186 N -0.34 1.03 0.27 8.12 0.00 -1.26 -1.80 105.19 111.21 1n3s n GLY 186 Ca -0.07 0.43 0.17 0.00 0.00 0.00 0.00 46.02 46.55 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 -6.48 -0.61 6.09 -1.84 -3.47 117.51 111.19 1n3s h ILE 187 Ca 0.00 -0.56 -0.50 0.00 -1.37 0.00 0.00 64.86 62.43 1n3s h ILE 187 Cb 0.00 1.56 -0.08 0.00 0.47 0.00 0.00 36.82 38.78 1n3s h ILE 187 CO 0.00 0.00 -0.85 0.54 -3.07 0.00 0.00 178.15 174.77 1n3s n ARG 188 N -3.08 -3.76 -2.66 2.19 1.74 -0.75 -4.91 116.66 105.43 1n3s n ARG 188 Ca 0.01 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 1n3s n ARG 188 Cb 0.33 -4.87 -0.03 0.00 -1.02 0.00 0.00 32.46 26.87 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 -3.97 6.31 0.07 0.55 -1.08 -0.72 -4.89 116.67 112.93 1n3s s ASP 189 Ca 0.27 -0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 1n3s s ASP 189 Cb -0.14 -2.51 1.04 0.00 -1.46 0.00 0.00 42.92 39.85 1n3s s ASP 189 CO 0.88 -1.52 1.82 0.00 0.52 0.00 0.00 175.17 176.87 1n3s n ALA 190 N 8.40 2.20 -0.01 3.66 0.00 -1.26 -4.00 120.51 129.51 1n3s n ALA 190 Ca 0.04 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1n3s n ALA 190 Cb 0.48 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 1n3s n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3s n THR 191 N -1.74 0.00 -1.86 0.00 -2.24 -1.26 -5.05 114.28 102.14 1n3s n THR 191 Ca 0.06 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 1n3s n THR 191 Cb 0.34 0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.34 5.56 -0.03 3.42 1.04 -1.26 -5.08 113.70 114.02 1n3s s SER 192 Ca -0.04 1.78 -0.17 0.00 0.48 0.00 0.00 55.95 58.00 1n3s s SER 192 Cb 0.07 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1n3s s SER 192 CO 0.48 -1.32 0.36 0.00 0.98 0.00 0.00 173.24 173.74 1n3s s ALA 193 N -2.63 -0.91 -0.07 5.32 0.00 -1.26 -4.82 121.76 117.39 1n3s s ALA 193 Ca 0.62 0.50 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1n3s s ALA 193 Cb -0.16 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1n3s s ALA 193 CO 0.43 -0.27 -0.09 0.99 0.00 0.00 0.00 175.76 176.83 1n3s s THR 194 N -1.20 3.55 -0.16 0.00 2.01 0.73 -4.94 115.64 115.62 1n3s s THR 194 Ca -0.12 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1n3s s THR 194 Cb -0.04 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1n3s s THR 194 CO 0.05 0.59 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.47 1n3s s THR 195 N -0.67 2.04 -0.18 -0.82 2.01 -1.26 -0.09 115.64 116.67 1n3s s THR 195 Ca 0.10 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1n3s s THR 195 Cb -0.11 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1n3s s THR 195 CO 0.02 0.54 -0.20 0.42 -0.69 0.00 0.00 174.62 174.70 1n3s s THR 196 N 1.11 2.06 -0.09 -0.82 -4.23 -0.29 -4.97 115.64 108.41 1n3s s THR 196 Ca 0.00 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1n3s s THR 196 Cb -0.14 -1.86 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 1n3s s THR 196 CO -0.09 0.54 -0.24 0.42 -0.54 0.00 0.00 174.62 174.72 1n3s s THR 197 N 1.27 2.05 -0.24 3.99 -4.23 -1.26 -0.77 115.64 116.44 1n3s s THR 197 Ca 0.04 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1n3s s THR 197 Cb -0.13 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.95 1n3s s THR 197 CO -0.12 0.56 -0.04 -0.44 -0.54 0.00 0.00 174.62 174.03 1n3s s SER 198 N 0.28 4.35 -0.14 3.99 0.01 0.18 -4.99 113.70 117.38 1n3s s SER 198 Ca -0.17 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 1n3s s SER 198 Cb -0.17 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 1n3s s SER 198 CO 0.08 -0.09 -0.07 -0.76 0.41 0.00 0.00 173.24 172.81 1n3s s LEU 199 N 1.41 3.06 0.17 2.44 1.43 -1.26 -0.77 118.68 125.16 1n3s s LEU 199 Ca 0.03 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1n3s s LEU 199 Cb -0.16 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1n3s s LEU 199 CO -0.04 0.19 -0.14 -0.83 0.23 0.00 0.00 176.35 175.76 1n3s s GLY 200 N 0.23 1.26 0.00 -3.19 0.00 -0.36 -4.62 107.32 100.65 1n3s s GLY 200 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1n3s s GLY 200 CO 0.04 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.14 1n3s n GLY 201 N -0.05 3.52 0.28 0.20 0.00 -0.91 -2.22 105.19 106.01 1n3s n GLY 201 Ca -0.11 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 0.99 3.38 -1.91 0.07 115.31 117.80 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 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.10 1n3s n PHE 203 N -3.49 0.09 0.00 1.13 3.72 -0.94 -3.12 117.46 114.85 1n3s n PHE 203 Ca -0.02 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1n3s n PHE 203 Cb 0.21 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1n3s n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3s n LYS 204 N -1.58 0.00 0.40 -1.08 4.81 -0.15 -4.08 118.16 116.47 1n3s n LYS 204 Ca 0.05 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.30 1n3s n LYS 204 Cb 0.26 -0.13 -0.09 0.00 0.02 0.00 0.00 35.03 35.08 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 -1.09 -3.14 3.14 4.64 -1.28 -3.42 113.55 112.40 1n3s h SER 205 Ca 0.00 0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 1n3s h SER 205 Cb 0.00 0.32 0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1n3s h SER 205 CO 0.00 -0.68 0.66 -0.55 -0.87 0.00 0.00 176.83 175.39 1n3s s SER 206 N -4.27 6.92 0.35 4.97 0.15 -1.18 -4.93 113.70 115.72 1n3s s SER 206 Ca -0.18 2.25 0.13 0.00 0.70 0.00 0.00 55.95 58.84 1n3s s SER 206 Cb 0.03 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.41 1n3s s SER 206 CO 0.61 -0.57 1.78 -0.61 1.20 0.00 0.00 173.24 175.65 1n3s h GLN 207 N 6.49 0.00 0.41 5.44 5.75 -1.82 -3.22 115.11 128.17 1n3s h GLN 207 Ca -0.42 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.05 1n3s h GLN 207 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1n3s h GLN 207 CO 0.83 0.42 -0.20 -0.97 -2.65 0.00 0.00 178.83 176.26 1n3s h ASN 208 N 0.00 -0.47 0.56 -0.69 -1.24 -1.92 -3.27 115.58 108.55 1n3s h ASN 208 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1n3s h ASN 208 Cb 0.76 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1n3s h ASN 208 CO 0.06 -0.32 0.00 0.41 -1.29 0.00 0.00 177.43 176.28 1n3s n THR 209 N -3.56 0.88 -0.11 -3.57 -1.04 -1.26 -2.84 114.28 102.78 1n3s n THR 209 Ca -0.07 0.35 -0.12 0.00 -2.04 0.00 0.00 64.05 62.17 1n3s n THR 209 Cb 0.22 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 1n3s n THR 209 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1n3s h ARG 210 N 0.00 0.68 -0.01 -2.82 2.43 -1.60 -2.98 114.38 110.07 1n3s h ARG 210 Ca 0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1n3s h ARG 210 Cb 0.28 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1n3s h ARG 210 CO 0.00 0.90 -0.12 0.72 -1.51 0.00 0.00 179.97 179.95 1n3s n HIS 211 N -4.35 0.00 0.03 2.20 8.25 -1.13 -3.38 115.22 116.83 1n3s n HIS 211 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.24 1n3s n HIS 211 Cb 0.40 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 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 1.66 0.71 0.00 -0.41 5.08 -1.49 -3.28 114.58 116.85 1n3s h GLU 212 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1n3s h GLU 212 Cb 0.48 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1n3s h GLU 212 CO 0.00 1.29 -0.06 0.35 -1.00 0.00 0.00 179.01 179.59 1n3s h PHE 213 N 0.42 0.00 0.00 4.33 3.57 -1.68 -3.34 116.94 120.25 1n3s h PHE 213 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1n3s h PHE 213 Cb 1.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1n3s h PHE 213 CO 0.10 0.00 0.63 -0.07 -2.23 0.00 0.00 178.31 176.74 1n3s h LEU 214 N -0.63 0.00 0.09 0.59 3.38 -1.74 0.16 115.31 117.17 1n3s h LEU 214 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1n3s h LEU 214 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1n3s h LEU 214 CO 0.00 0.00 -1.55 -0.09 0.09 0.00 0.00 178.44 176.89 1n3s h ARG 215 N 0.00 0.19 -0.83 1.13 2.43 -1.76 -3.32 114.38 112.21 1n3s h ARG 215 Ca 0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1n3s h ARG 215 Cb 1.27 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1n3s h ARG 215 CO 0.00 1.15 0.00 0.00 -1.51 0.00 0.00 179.97 179.61 1n3s n ALA 216 N -3.09 2.72 -2.76 2.80 0.00 0.50 -4.81 120.51 115.87 1n3s n ALA 216 Ca -0.29 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 1n3s n ALA 216 Cb 0.89 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.38 5.32 -0.17 0.00 1.01 -0.80 -4.75 120.40 119.64 1n3s s VAL 217 Ca 0.10 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1n3s s VAL 217 Cb 0.07 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1n3s s VAL 217 CO 0.03 0.46 0.12 -1.14 0.00 0.00 0.00 175.10 174.58 1n3s n ARG 218 N 1.43 -1.38 -4.57 2.72 0.00 -1.26 -5.03 116.66 108.58 1n3s n ARG 218 Ca -0.14 1.42 -0.29 0.00 -0.00 0.00 0.00 57.85 58.84 1n3s n ARG 218 Cb 0.53 -3.19 -0.14 0.00 0.00 0.00 0.00 32.46 29.67 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 -1.19 2.24 -0.26 -0.14 3.76 -1.26 -5.12 115.29 113.31 1n3s s HIS 219 Ca 0.05 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1n3s s HIS 219 Cb -0.01 -1.26 0.04 0.00 1.11 0.00 0.00 32.58 32.46 1n3s s HIS 219 CO 0.36 0.24 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.84 1n3s s HIS 220 N -0.97 3.17 0.00 1.40 2.46 -1.26 -4.90 115.29 115.20 1n3s s HIS 220 Ca 0.12 -1.91 0.00 0.00 0.47 0.00 0.00 55.06 53.74 1n3s s HIS 220 Cb -0.10 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 1n3s s HIS 220 CO 0.04 -0.81 0.00 0.09 -2.47 0.00 0.00 174.74 171.60