#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3r n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.16 113.62 113.62 1n3r n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3r n SER 2 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1n3r n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3r n LEU 3 N -1.44 0.00 -3.92 2.46 4.77 -1.26 -5.03 117.00 112.58 1n3r n LEU 3 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1n3r n LEU 3 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1n3r n LEU 3 CO 0.00 0.00 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.13 1n3r s SER 4 N 1.28 0.28 0.16 -1.43 0.15 -1.26 -5.07 113.70 107.81 1n3r s SER 4 Ca 0.00 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.33 1n3r s SER 4 Cb 0.00 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1n3r s SER 4 CO 0.00 -0.02 1.63 0.11 1.20 0.00 0.00 173.24 176.16 1n3r h LYS 5 N 5.87 -0.20 -0.35 5.44 1.57 -2.01 0.03 116.57 126.91 1n3r h LYS 5 Ca -0.27 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 1n3r h LYS 5 Cb 1.20 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1n3r h LYS 5 CO 0.49 -0.13 -0.12 0.93 -0.57 0.00 0.00 179.45 180.05 1n3r h GLU 6 N -0.21 0.70 -0.07 3.15 3.07 -1.97 -1.01 114.58 118.25 1n3r h GLU 6 Ca 0.16 -0.29 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1n3r h GLU 6 Cb 0.46 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 1n3r h GLU 6 CO -0.43 0.88 -0.21 0.00 -1.40 0.00 0.00 179.01 177.84 1n3r h ALA 7 N 0.80 -0.22 -0.40 3.43 0.00 -1.84 0.52 119.26 121.55 1n3r h ALA 7 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1n3r h ALA 7 Cb 0.64 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1n3r h ALA 7 CO 0.04 -0.69 0.01 0.00 0.00 0.00 0.00 179.25 178.61 1n3r h ALA 8 N 0.63 0.37 -0.22 0.00 0.00 -0.87 0.17 119.26 119.34 1n3r h ALA 8 Ca 0.08 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n3r h ALA 8 Cb 0.42 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n3r h ALA 8 CO -0.24 -0.38 0.11 1.25 0.00 0.00 0.00 179.25 179.99 1n3r h LEU 9 N 0.12 0.28 -0.08 0.00 6.46 -0.87 -1.75 115.31 119.46 1n3r h LEU 9 Ca 0.19 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1n3r h LEU 9 Cb 0.27 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1n3r h LEU 9 CO -0.31 0.30 0.02 0.58 -0.62 0.00 0.00 178.44 178.40 1n3r h VAL 10 N 0.24 1.20 -0.53 1.05 2.07 -0.46 -2.11 116.25 117.71 1n3r h VAL 10 Ca 0.08 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1n3r h VAL 10 Cb 0.09 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1n3r h VAL 10 CO -0.01 0.18 0.21 -0.74 0.02 0.00 0.00 177.57 177.23 1n3r h HIS 11 N -0.10 0.38 -0.85 1.57 -0.00 -0.66 -0.72 115.15 114.76 1n3r h HIS 11 Ca 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1n3r h HIS 11 Cb 0.26 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 1n3r h HIS 11 CO 0.01 0.13 0.53 0.93 -0.00 0.00 0.00 177.93 179.53 1n3r h GLU 12 N 0.41 1.15 -0.80 5.26 5.08 -1.25 -2.03 114.58 122.41 1n3r h GLU 12 Ca 0.25 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1n3r h GLU 12 Cb 0.26 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1n3r h GLU 12 CO -0.24 0.80 0.52 0.00 -1.00 0.00 0.00 179.01 179.09 1n3r h ALA 13 N 1.29 1.01 -0.37 3.43 0.00 -0.47 0.47 119.26 124.63 1n3r h ALA 13 Ca 0.31 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1n3r h ALA 13 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1n3r h ALA 13 CO -0.06 0.43 -0.32 -0.07 0.00 0.00 0.00 179.25 179.23 1n3r h LEU 14 N 1.08 0.86 -0.07 0.00 3.38 -0.87 -2.99 115.31 116.71 1n3r h LEU 14 Ca 0.29 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n3r h LEU 14 Cb -0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1n3r h LEU 14 CO -0.06 1.11 -0.04 0.58 0.09 0.00 0.00 178.44 180.12 1n3r h VAL 15 N 0.69 1.33 0.00 1.22 2.07 -0.99 0.26 116.25 120.84 1n3r h VAL 15 Ca 0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1n3r h VAL 15 Cb 0.87 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1n3r h VAL 15 CO 0.08 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1n3r n ALA 16 N -2.34 1.54 -0.38 1.67 0.00 0.12 -0.58 120.51 120.54 1n3r n ALA 16 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1n3r n ALA 16 Cb 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1n3r n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n3r n ARG 17 N -1.01 0.52 -1.79 0.00 3.00 -0.95 -5.00 116.66 111.43 1n3r n ARG 17 Ca 0.01 -0.68 -0.15 0.00 -0.00 0.00 0.00 57.85 57.03 1n3r n ARG 17 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 32.46 31.62 1n3r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3r n GLY 18 N -0.14 0.79 0.06 5.14 0.00 0.26 -4.90 105.19 106.39 1n3r n GLY 18 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1n3r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 19 N -1.88 0.72 -4.74 0.99 4.77 0.86 -5.00 117.00 112.72 1n3r n LEU 19 Ca -0.16 -0.55 -0.36 0.00 -0.03 0.00 0.00 56.01 54.91 1n3r n LEU 19 Cb 0.55 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1n3r n LEU 19 CO 0.22 0.16 0.86 -0.70 -1.33 0.00 0.00 177.39 176.60 1n3r s GLU 20 N -2.00 2.57 0.20 3.23 2.56 -1.08 -4.88 118.70 119.31 1n3r s GLU 20 Ca 0.06 1.92 -0.31 0.00 0.00 0.00 0.00 54.97 56.64 1n3r s GLU 20 Cb 0.09 -1.87 -0.10 0.00 2.00 0.00 0.00 34.13 34.25 1n3r s GLU 20 CO 0.45 -1.54 1.55 0.99 -0.56 0.00 0.00 175.26 176.15 1n3r s THR 21 N -1.59 2.53 -0.38 -1.70 2.01 -1.26 -4.85 115.64 110.39 1n3r s THR 21 Ca 0.79 0.40 -0.38 0.00 0.31 0.00 0.00 61.69 62.82 1n3r s THR 21 Cb -0.33 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.78 1n3r s THR 21 CO 0.39 0.04 2.16 -2.65 -0.69 0.00 0.00 174.62 173.88 1n3r n PRO 22 N 3.42 0.80 -4.17 4.92 -0.02 -1.26 -4.93 135.00 133.75 1n3r n PRO 22 Ca 0.12 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 1n3r n PRO 22 Cb 0.39 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 1n3r n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3r s LEU 23 N 6.86 2.41 0.17 2.45 1.02 -1.26 -5.16 118.68 125.16 1n3r s LEU 23 Ca 1.12 -0.82 0.05 0.00 0.02 0.00 0.00 54.13 54.50 1n3r s LEU 23 Cb -1.03 -0.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.86 1n3r s LEU 23 CO 0.54 -0.28 0.19 -0.60 0.02 0.00 0.00 176.35 176.22 1n3r s ARG 24 N -2.83 3.06 -0.41 1.70 3.52 -1.26 -5.06 118.95 117.68 1n3r s ARG 24 Ca 0.05 -0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 1n3r s ARG 24 Cb -0.02 -2.73 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1n3r s ARG 24 CO -0.00 0.49 1.60 -2.14 -0.81 0.00 0.00 175.30 174.44 1n3r s PRO 25 N -3.22 3.37 0.30 5.12 0.02 -1.26 -4.88 135.00 134.46 1n3r s PRO 25 Ca 0.32 1.06 0.08 0.00 0.02 0.00 0.00 61.00 62.48 1n3r s PRO 25 Cb -0.10 -4.13 0.26 0.00 0.02 0.00 0.00 34.50 30.55 1n3r s PRO 25 CO 0.25 -1.81 0.57 -2.30 -0.33 0.00 0.00 177.00 173.37 1n3r n PRO 26 N 8.37 0.01 0.00 5.54 -0.02 -1.26 -4.82 135.00 142.82 1n3r n PRO 26 Ca 0.19 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1n3r n PRO 26 Cb 0.48 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1n3r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n3r n VAL 27 N -1.92 0.00 -3.76 -1.45 0.31 -1.26 -4.49 118.33 105.76 1n3r n VAL 27 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.03 1n3r n VAL 27 Cb 0.64 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.46 1n3r n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3r s HIS 28 N 0.00 3.17 -0.54 3.52 -3.43 -1.26 -5.01 115.29 111.74 1n3r s HIS 28 Ca 0.00 -0.12 -0.31 0.00 -0.80 0.00 0.00 55.06 53.83 1n3r s HIS 28 Cb 0.00 -2.24 -0.12 0.00 -1.43 0.00 0.00 32.58 28.79 1n3r s HIS 28 CO 0.00 -0.16 2.39 0.39 -2.00 0.00 0.00 174.74 175.36 1n3r n GLU 29 N 4.61 0.86 -2.78 -0.38 1.02 -1.26 -4.86 120.64 117.84 1n3r n GLU 29 Ca -0.16 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1n3r n GLU 29 Cb 0.52 -2.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 1n3r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n3r s MET 30 N 7.60 4.63 0.23 3.49 -2.45 -1.26 -4.99 119.30 126.55 1n3r s MET 30 Ca 1.11 1.35 -0.31 0.00 -1.25 0.00 0.00 55.69 56.59 1n3r s MET 30 Cb -0.68 -3.39 -0.14 0.00 1.25 0.00 0.00 34.83 31.87 1n3r s MET 30 CO 0.40 0.17 1.36 -3.47 1.05 0.00 0.00 175.02 174.53 1n3r n ASP 31 N 3.04 2.51 0.22 1.11 2.03 -1.26 -4.87 116.55 119.33 1n3r n ASP 31 Ca 0.02 1.14 0.08 0.00 0.52 0.00 0.00 54.79 56.55 1n3r n ASP 31 Cb 0.50 -1.39 0.53 0.00 -0.72 0.00 0.00 41.12 40.04 1n3r n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3r h ASN 32 N 4.01 0.00 -0.08 1.67 -1.24 -2.00 -2.16 115.58 115.77 1n3r h ASN 32 Ca -0.45 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.45 1n3r h ASN 32 Cb 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 1n3r h ASN 32 CO 0.74 0.23 -0.38 -0.33 -1.29 0.00 0.00 177.43 176.41 1n3r h GLU 33 N 0.00 0.40 -0.73 6.67 5.08 -2.01 -3.11 114.58 120.89 1n3r h GLU 33 Ca -0.00 -0.32 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1n3r h GLU 33 Cb 0.51 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1n3r h GLU 33 CO 0.03 0.96 0.31 1.15 -1.00 0.00 0.00 179.01 180.46 1n3r h THR 34 N -0.06 0.71 -0.25 1.13 2.02 -1.84 -1.99 112.91 112.63 1n3r h THR 34 Ca -0.02 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1n3r h THR 34 Cb 1.03 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1n3r h THR 34 CO 0.08 0.09 0.12 0.03 0.37 0.00 0.00 175.52 176.21 1n3r h ARG 35 N 0.48 0.36 -0.40 6.66 3.08 -1.40 -1.13 114.38 122.03 1n3r h ARG 35 Ca 0.39 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 1n3r h ARG 35 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1n3r h ARG 35 CO -0.36 0.37 0.06 0.87 -1.07 0.00 0.00 179.97 179.83 1n3r h LYS 36 N 0.27 0.61 0.33 0.04 1.57 -1.39 0.21 116.57 118.21 1n3r h LYS 36 Ca 0.09 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1n3r h LYS 36 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1n3r h LYS 36 CO -0.01 0.59 -0.16 0.77 -0.57 0.00 0.00 179.45 180.07 1n3r h SER 37 N 0.59 -0.37 -0.83 0.86 0.02 -1.11 0.26 113.55 112.96 1n3r h SER 37 Ca 0.13 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1n3r h SER 37 Cb 0.28 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 1n3r h SER 37 CO 0.00 -0.14 0.45 -0.07 -1.14 0.00 0.00 176.83 175.94 1n3r h LEU 38 N -0.60 0.59 -0.22 5.07 3.38 -0.89 0.14 115.31 122.78 1n3r h LEU 38 Ca -0.04 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1n3r h LEU 38 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1n3r h LEU 38 CO 0.07 0.30 -0.31 0.40 0.09 0.00 0.00 178.44 178.99 1n3r h ILE 39 N 0.70 1.32 -0.85 1.22 2.04 -0.27 -2.77 117.51 118.90 1n3r h ILE 39 Ca 0.42 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1n3r h ILE 39 Cb 0.50 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1n3r h ILE 39 CO -0.30 0.47 0.56 0.00 0.00 0.00 0.00 178.15 178.88 1n3r h ALA 40 N 0.64 1.52 -0.51 1.87 0.00 0.14 0.17 119.26 123.09 1n3r h ALA 40 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n3r h ALA 40 Cb 0.89 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n3r h ALA 40 CO 0.07 0.38 0.18 0.78 0.00 0.00 0.00 179.25 180.66 1n3r h GLY 41 N 1.01 0.79 1.05 0.00 0.00 -0.58 0.52 103.07 105.86 1n3r h GLY 41 Ca 0.35 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1n3r h GLY 41 CO -0.12 0.38 -0.57 0.45 0.00 0.00 0.00 176.54 176.68 1n3r h HIS 42 N 0.73 0.94 -0.53 5.60 -0.00 -0.70 -2.15 115.15 119.04 1n3r h HIS 42 Ca 0.17 -0.38 -0.05 0.00 -0.00 0.00 0.00 60.37 60.12 1n3r h HIS 42 Cb 0.18 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1n3r h HIS 42 CO 0.01 1.18 0.13 0.52 -0.00 0.00 0.00 177.93 179.77 1n3r h MET 43 N 0.43 0.81 -0.37 2.45 2.86 -0.04 -0.84 114.93 120.23 1n3r h MET 43 Ca -0.02 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1n3r h MET 43 Cb 1.19 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 1n3r h MET 43 CO 0.12 0.73 0.12 1.15 1.06 0.00 0.00 176.91 180.09 1n3r h THR 44 N 0.78 0.88 -0.54 2.22 2.02 0.26 -0.70 112.91 117.83 1n3r h THR 44 Ca 0.17 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n3r h THR 44 Cb 0.28 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1n3r h THR 44 CO -0.00 0.05 0.25 -0.33 0.37 0.00 0.00 175.52 175.86 1n3r h GLU 45 N 0.27 0.78 -0.70 6.66 4.39 -0.72 -1.29 114.58 123.96 1n3r h GLU 45 Ca 0.17 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1n3r h GLU 45 Cb 0.16 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1n3r h GLU 45 CO -0.18 0.65 0.34 0.82 -1.16 0.00 0.00 179.01 179.48 1n3r h ILE 46 N 0.73 1.22 0.00 3.13 2.04 -0.77 -0.20 117.51 123.66 1n3r h ILE 46 Ca 0.18 -0.63 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 1n3r h ILE 46 Cb 0.13 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1n3r h ILE 46 CO -0.02 0.26 -0.64 0.24 0.00 0.00 0.00 178.15 178.00 1n3r h MET 47 N 0.99 0.00 0.00 2.37 2.86 -0.75 -2.08 114.93 118.33 1n3r h MET 47 Ca 0.24 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1n3r h MET 47 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1n3r h MET 47 CO -0.03 0.64 -0.35 1.96 1.06 0.00 0.00 176.91 180.18 1n3r h GLN 48 N 0.00 0.00 0.00 1.72 4.20 -0.24 -1.43 115.11 119.36 1n3r h GLN 48 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1n3r h GLN 48 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1n3r h GLN 48 CO 0.08 0.35 0.00 -0.07 -0.67 0.00 0.00 178.83 178.53 1n3r h LEU 49 N 0.00 0.00 -2.12 1.46 3.38 -0.72 -2.62 115.31 114.69 1n3r h LEU 49 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 49 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1n3r h LEU 49 CO 0.05 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1n3r n LEU 50 N -2.58 3.13 -3.16 1.67 4.77 -0.76 -4.95 117.00 115.13 1n3r n LEU 50 Ca 0.04 -1.43 -0.23 0.00 -0.03 0.00 0.00 56.01 54.36 1n3r n LEU 50 Cb 0.44 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1n3r n LEU 50 CO 0.30 0.72 0.03 0.59 -1.33 0.00 0.00 177.39 177.70 1n3r n ASN 51 N 1.25 -5.88 -4.84 -1.43 3.02 -0.99 -4.98 115.26 101.40 1n3r n ASN 51 Ca 0.19 -0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 1n3r n ASN 51 Cb 0.53 -4.74 -0.06 0.00 -0.61 0.00 0.00 39.78 34.91 1n3r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3r s LEU 52 N -6.77 4.29 -0.83 3.41 1.43 -0.61 -5.00 118.68 114.59 1n3r s LEU 52 Ca 0.36 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.42 1n3r s LEU 52 Cb -0.16 -3.48 0.11 0.00 0.03 0.00 0.00 46.19 42.69 1n3r s LEU 52 CO 0.45 0.03 1.06 -0.62 0.23 0.00 0.00 176.35 177.49 1n3r s ASP 53 N -1.84 6.47 0.00 2.29 2.15 -1.26 -4.64 116.67 119.84 1n3r s ASP 53 Ca 0.42 -1.72 0.12 0.00 0.43 0.00 0.00 52.55 51.81 1n3r s ASP 53 Cb -0.14 -2.40 0.60 0.00 -0.30 0.00 0.00 42.92 40.68 1n3r s ASP 53 CO 0.20 -1.17 1.32 0.18 -0.17 0.00 0.00 175.17 175.53 1n3r n LEU 54 N 6.86 0.00 0.20 -1.34 4.77 -1.26 -1.32 117.00 124.90 1n3r n LEU 54 Ca 0.14 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1n3r n LEU 54 Cb 0.48 -0.33 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 1n3r n LEU 54 CO 0.55 -0.20 0.70 0.00 -1.33 0.00 0.00 177.39 177.11 1n3r h ALA 55 N 2.54 0.88 -2.48 -1.18 0.00 -1.95 -3.26 119.26 113.82 1n3r h ALA 55 Ca 0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1n3r h ALA 55 Cb 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.92 1n3r h ALA 55 CO 0.00 0.28 1.01 0.34 0.00 0.00 0.00 179.25 180.88 1n3r s ASP 56 N -6.26 6.56 0.57 0.00 2.15 -0.44 -4.83 116.67 114.44 1n3r s ASP 56 Ca 0.04 2.55 0.43 0.00 0.43 0.00 0.00 52.55 56.01 1n3r s ASP 56 Cb 0.07 -2.57 1.52 0.00 -0.30 0.00 0.00 42.92 41.64 1n3r s ASP 56 CO 0.68 -0.90 1.53 -2.24 -0.17 0.00 0.00 175.17 174.07 1n3r h ASP 57 N 8.22 0.00 0.00 -0.34 2.03 -1.88 -1.51 116.42 122.94 1n3r h ASP 57 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1n3r h ASP 57 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1n3r h ASP 57 CO 0.93 0.00 0.00 -0.24 -1.03 0.00 0.00 179.24 178.90 1n3r n SER 58 N -3.77 0.00 -0.19 4.15 2.88 -1.26 -4.23 113.62 111.20 1n3r n SER 58 Ca 0.37 0.37 0.26 0.00 -1.33 0.00 0.00 58.87 58.54 1n3r n SER 58 Cb 1.82 -0.34 0.67 0.00 -0.75 0.00 0.00 64.21 65.60 1n3r n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3r h LEU 59 N 0.00 0.11 -0.65 2.46 3.38 -1.76 -3.13 115.31 115.72 1n3r h LEU 59 Ca 0.00 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.24 1n3r h LEU 59 Cb 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1n3r h LEU 59 CO 0.00 0.04 0.29 0.80 0.09 0.00 0.00 178.44 179.66 1n3r n MET 60 N -4.34 -0.04 -0.32 1.13 1.56 -0.60 -0.01 117.12 114.49 1n3r n MET 60 Ca 0.18 0.91 0.12 0.00 -0.27 0.00 0.00 57.70 58.64 1n3r n MET 60 Cb 0.88 -1.59 0.29 0.00 2.15 0.00 0.00 33.22 34.95 1n3r n MET 60 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1n3r n GLU 61 N -4.54 2.67 -0.12 2.12 -0.58 -1.18 -4.64 120.64 114.37 1n3r n GLU 61 Ca 0.23 -2.57 -0.13 0.00 -0.42 0.00 0.00 57.16 54.27 1n3r n GLU 61 Cb 0.77 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 1n3r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3r h THR 62 N 4.39 1.28 -0.30 2.62 2.02 -0.65 -2.13 112.91 120.13 1n3r h THR 62 Ca 0.00 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 65.76 1n3r h THR 62 Cb 1.00 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1n3r h THR 62 CO 0.00 0.48 0.07 -0.65 0.37 0.00 0.00 175.52 175.80 1n3r h PRO 63 N 0.65 0.18 -0.27 6.66 0.11 -1.82 0.52 132.00 138.02 1n3r h PRO 63 Ca 0.07 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.20 1n3r h PRO 63 Cb 0.88 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1n3r h PRO 63 CO 0.08 0.12 0.08 1.25 -0.21 0.00 0.00 178.00 179.32 1n3r h HIS 64 N 0.19 0.14 -0.86 0.65 6.17 -1.85 -0.68 115.15 118.91 1n3r h HIS 64 Ca 0.14 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1n3r h HIS 64 Cb 0.14 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 1n3r h HIS 64 CO -0.16 0.06 0.49 0.00 0.71 0.00 0.00 177.93 179.02 1n3r h ARG 65 N 0.20 1.18 -0.30 5.26 3.08 -0.73 -0.18 114.38 122.88 1n3r h ARG 65 Ca 0.12 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1n3r h ARG 65 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1n3r h ARG 65 CO -0.14 0.85 -0.42 0.82 -1.07 0.00 0.00 179.97 180.01 1n3r h ILE 66 N 1.19 1.29 -0.17 2.04 2.04 0.57 0.42 117.51 124.89 1n3r h ILE 66 Ca 0.30 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1n3r h ILE 66 Cb -0.01 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1n3r h ILE 66 CO -0.05 0.52 -0.01 0.00 0.00 0.00 0.00 178.15 178.61 1n3r h ALA 67 N 0.91 0.23 -0.52 1.87 0.00 -0.85 0.18 119.26 121.08 1n3r h ALA 67 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1n3r h ALA 67 Cb 0.98 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1n3r h ALA 67 CO 0.09 -0.05 0.35 -0.22 0.00 0.00 0.00 179.25 179.42 1n3r h LYS 68 N 0.05 0.63 0.22 0.00 3.11 -0.96 -0.84 116.57 118.78 1n3r h LYS 68 Ca 0.05 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1n3r h LYS 68 Cb 0.40 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1n3r h LYS 68 CO 0.01 0.42 -0.11 1.98 -2.81 0.00 0.00 179.45 178.94 1n3r h MET 69 N 0.65 -0.28 0.01 1.90 4.05 -0.31 -0.64 114.93 120.30 1n3r h MET 69 Ca 0.20 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 1n3r h MET 69 Cb 0.02 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1n3r h MET 69 CO -0.05 0.02 -0.09 1.88 0.23 0.00 0.00 176.91 178.90 1n3r h TYR 70 N -0.60 -0.24 0.12 1.39 0.05 -0.56 -1.17 116.97 115.96 1n3r h TYR 70 Ca -0.03 0.01 -0.19 0.00 0.05 0.00 0.00 58.73 58.57 1n3r h TYR 70 Cb 0.44 0.11 0.02 0.00 1.01 0.00 0.00 36.73 38.31 1n3r h TYR 70 CO 0.02 -0.14 -0.83 0.28 -1.05 0.00 0.00 178.16 176.44 1n3r h VAL 71 N -0.17 1.48 0.09 -2.88 2.07 -1.23 -2.73 116.25 112.88 1n3r h VAL 71 Ca 0.03 -2.47 -0.31 0.00 0.82 0.00 0.00 66.70 64.78 1n3r h VAL 71 Cb 0.21 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1n3r h VAL 71 CO -0.09 0.71 -1.61 0.44 0.02 0.00 0.00 177.57 177.03 1n3r h ASP 72 N -0.28 0.30 0.00 0.57 3.32 -1.20 -3.35 116.42 115.77 1n3r h ASP 72 Ca -0.14 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1n3r h ASP 72 Cb 1.63 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1n3r h ASP 72 CO 0.16 1.40 0.00 -1.84 -1.72 0.00 0.00 179.24 177.24 1n3r n GLU 73 N -3.37 0.00 0.25 3.56 0.28 -0.53 -4.45 120.64 116.38 1n3r n GLU 73 Ca -0.18 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 56.94 1n3r n GLU 73 Cb 1.04 0.00 0.62 0.00 1.43 0.00 0.00 31.44 34.53 1n3r n GLU 73 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1n3r h ILE 74 N 0.00 0.00 0.00 3.84 3.07 -1.54 -0.32 117.51 122.56 1n3r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3r h ILE 74 Cb 0.00 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 1n3r h ILE 74 CO 0.00 0.00 -0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3r n PHE 75 N -2.51 0.00 0.22 0.16 3.72 -1.03 -2.74 117.46 115.27 1n3r n PHE 75 Ca -0.02 -0.48 0.09 0.00 -0.05 0.00 0.00 57.45 57.00 1n3r n PHE 75 Cb 0.32 -0.05 0.50 0.00 -0.94 0.00 0.00 39.48 39.32 1n3r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3r h SER 76 N 0.00 0.00 1.42 4.37 4.64 -1.01 -0.51 113.55 122.46 1n3r h SER 76 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1n3r h SER 76 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1n3r h SER 76 CO 0.00 0.00 -0.11 1.23 -0.87 0.00 0.00 176.83 177.08 1n3r h GLY 77 N 0.00 0.00 2.00 -0.77 0.00 -0.90 -3.15 103.07 100.24 1n3r h GLY 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1n3r h GLY 77 CO 0.00 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.90 1n3r h LEU 78 N 0.00 0.00 -8.53 3.11 3.38 -1.21 -3.40 115.31 108.66 1n3r h LEU 78 Ca -0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1n3r h LEU 78 Cb 0.85 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.35 1n3r h LEU 78 CO 0.01 0.05 -0.67 -0.62 0.09 0.00 0.00 178.44 177.30 1n3r s ASP 79 N -5.83 4.72 0.00 -0.43 2.15 -1.19 -5.00 116.67 111.10 1n3r s ASP 79 Ca -0.03 -0.29 0.16 0.00 0.43 0.00 0.00 52.55 52.82 1n3r s ASP 79 Cb 0.13 -1.83 0.93 0.00 -0.30 0.00 0.00 42.92 41.84 1n3r s ASP 79 CO 0.52 -0.02 1.42 -1.22 -0.17 0.00 0.00 175.17 175.70 1n3r n TYR 80 N 4.82 0.00 0.38 -5.34 4.02 -1.26 -1.66 117.16 118.13 1n3r n TYR 80 Ca -0.17 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.84 1n3r n TYR 80 Cb 0.51 -0.10 0.52 0.00 -0.02 0.00 0.00 39.34 40.25 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r h ALA 81 N 2.94 1.00 -0.65 -0.72 0.00 -1.94 -2.07 119.26 117.82 1n3r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3r h ALA 81 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3r h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1n3r n ASN 82 N -2.34 4.31 -4.77 0.00 3.02 -0.66 -4.97 115.26 109.85 1n3r n ASN 82 Ca 0.02 -2.27 -0.40 0.00 -0.03 0.00 0.00 54.58 51.90 1n3r n ASN 82 Cb 0.24 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1n3r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3r s PHE 83 N -1.50 2.96 0.51 3.10 5.36 -0.78 -4.96 117.98 122.67 1n3r s PHE 83 Ca 0.48 1.43 -0.21 0.00 -0.96 0.00 0.00 56.93 57.68 1n3r s PHE 83 Cb 0.29 -3.64 -0.07 0.00 -0.34 0.00 0.00 43.02 39.26 1n3r s PHE 83 CO 0.27 -1.88 1.11 -1.25 -1.46 0.00 0.00 175.22 172.01 1n3r s PRO 84 N -2.03 3.57 -0.04 10.12 0.04 -1.26 -4.96 135.00 140.44 1n3r s PRO 84 Ca 0.53 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 1n3r s PRO 84 Cb -0.38 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1n3r s PRO 84 CO 0.50 -0.66 1.41 0.15 0.04 0.00 0.00 177.00 178.43 1n3r s LYS 85 N -3.11 4.26 0.04 4.56 1.02 -1.26 -4.94 119.74 120.30 1n3r s LYS 85 Ca 0.69 1.93 -0.06 0.00 0.02 0.00 0.00 55.97 58.56 1n3r s LYS 85 Cb -0.23 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 1n3r s LYS 85 CO 0.27 -0.63 0.28 0.42 -0.92 0.00 0.00 175.35 174.77 1n3r s ILE 86 N 2.84 5.28 -0.09 2.17 -1.09 -1.26 -4.95 121.20 124.11 1n3r s ILE 86 Ca 0.63 0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 59.10 1n3r s ILE 86 Cb -0.30 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1n3r s ILE 86 CO 0.25 0.28 0.19 0.42 -1.23 0.00 0.00 174.94 174.85 1n3r s THR 87 N -1.38 -0.11 0.10 2.92 -4.23 -1.26 -5.10 115.64 106.58 1n3r s THR 87 Ca 0.31 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1n3r s THR 87 Cb -0.13 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.37 1n3r s THR 87 CO 0.19 0.08 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.36 1n3r s LEU 88 N 1.46 2.27 0.06 4.79 1.43 -1.26 -1.71 118.68 125.72 1n3r s LEU 88 Ca -0.07 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1n3r s LEU 88 Cb -0.11 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1n3r s LEU 88 CO -0.07 0.13 -0.23 0.27 0.23 0.00 0.00 176.35 176.68 1n3r s ILE 89 N -1.04 2.43 0.21 -0.59 -4.36 0.61 -4.92 121.20 113.54 1n3r s ILE 89 Ca 0.10 -1.39 -0.32 0.00 -0.26 0.00 0.00 60.65 58.77 1n3r s ILE 89 Cb -0.10 -2.01 -0.13 0.00 1.25 0.00 0.00 42.46 41.47 1n3r s ILE 89 CO 0.04 0.29 1.58 1.21 0.24 0.00 0.00 174.94 178.30 1n3r n GLU 90 N 1.48 2.36 -0.56 0.37 2.13 -1.26 -1.15 120.64 124.00 1n3r n GLU 90 Ca -0.17 0.85 -0.06 0.00 0.66 0.00 0.00 57.16 58.44 1n3r n GLU 90 Cb 0.52 -2.61 -0.09 0.00 0.27 0.00 0.00 31.44 29.53 1n3r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3r n ASN 91 N 3.10 3.11 0.16 4.31 5.15 -1.09 -4.54 115.26 125.46 1n3r n ASN 91 Ca 0.14 -2.05 0.18 0.00 -0.60 0.00 0.00 54.58 52.25 1n3r n ASN 91 Cb 0.32 -0.82 0.69 0.00 -0.53 0.00 0.00 39.78 39.44 1n3r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3r h LYS 92 N 4.01 0.00 -0.00 1.20 1.57 -1.89 0.73 116.57 122.20 1n3r h LYS 92 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1n3r h LYS 92 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1n3r h LYS 92 CO 0.30 0.00 -0.03 -1.33 -0.57 0.00 0.00 179.45 177.83 1n3r n MET 93 N -3.32 0.89 -4.01 3.15 2.81 -1.26 -4.93 117.12 110.44 1n3r n MET 93 Ca 0.05 -0.18 -0.30 0.00 -1.81 0.00 0.00 57.70 55.47 1n3r n MET 93 Cb 0.66 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 1n3r n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3r n LYS 94 N -0.90 -2.12 -2.43 0.03 4.01 0.25 -4.88 118.16 112.13 1n3r n LYS 94 Ca 0.19 0.30 -0.43 0.00 -0.51 0.00 0.00 58.31 57.87 1n3r n LYS 94 Cb 0.21 -4.03 -0.02 0.00 -0.51 0.00 0.00 35.03 30.68 1n3r n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3r s VAL 95 N -3.94 4.27 -0.17 -0.18 1.01 -1.26 -4.87 120.40 115.26 1n3r s VAL 95 Ca 0.12 1.55 0.16 0.00 0.00 0.00 0.00 61.98 63.82 1n3r s VAL 95 Cb -0.05 -4.00 0.37 0.00 0.00 0.00 0.00 36.38 32.70 1n3r s VAL 95 CO 0.92 -0.11 1.24 -0.90 0.00 0.00 0.00 175.10 176.25 1n3r n ASP 96 N 6.31 2.49 -4.48 3.32 5.75 -1.26 -4.28 116.55 124.41 1n3r n ASP 96 Ca 0.13 -3.30 -0.24 0.00 -0.01 0.00 0.00 54.79 51.37 1n3r n ASP 96 Cb 0.45 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 1n3r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3r s GLU 97 N -2.97 1.71 0.19 0.11 0.41 -1.26 -4.96 118.70 111.93 1n3r s GLU 97 Ca 0.36 -1.77 -0.30 0.00 -0.41 0.00 0.00 54.97 52.85 1n3r s GLU 97 Cb 0.32 -1.78 -0.08 0.00 -1.78 0.00 0.00 34.13 30.81 1n3r s GLU 97 CO 0.02 0.32 1.19 0.00 -0.49 0.00 0.00 175.26 176.30 1n3r s MET 98 N -3.52 4.50 -0.23 1.61 0.23 -1.26 -4.24 119.30 116.39 1n3r s MET 98 Ca 0.30 1.87 -0.11 0.00 -1.03 0.00 0.00 55.69 56.73 1n3r s MET 98 Cb -0.05 -3.23 -0.05 0.00 -1.53 0.00 0.00 34.83 29.97 1n3r s MET 98 CO 0.15 -0.07 0.16 0.08 -2.03 0.00 0.00 175.02 173.32 1n3r s VAL 99 N -0.15 5.37 -0.12 5.16 1.01 -0.10 -4.91 120.40 126.65 1n3r s VAL 99 Ca 0.52 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1n3r s VAL 99 Cb -0.33 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1n3r s VAL 99 CO 0.37 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.77 1n3r s THR 100 N 0.89 2.55 -0.32 3.92 2.01 -1.26 -2.19 115.64 121.23 1n3r s THR 100 Ca 0.08 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1n3r s THR 100 Cb -0.13 -2.04 0.05 0.00 0.01 0.00 0.00 72.50 70.39 1n3r s THR 100 CO 0.03 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.86 1n3r s VAL 101 N 0.47 3.30 0.33 3.82 1.01 0.11 -4.99 120.40 124.44 1n3r s VAL 101 Ca -0.13 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.61 1n3r s VAL 101 Cb -0.17 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1n3r s VAL 101 CO 0.05 -0.16 0.28 0.00 0.00 0.00 0.00 175.10 175.28 1n3r s ARG 102 N 1.31 2.73 -1.45 2.72 1.70 -1.26 -1.12 118.95 123.58 1n3r s ARG 102 Ca -0.03 -1.28 -0.05 0.00 -0.47 0.00 0.00 55.73 53.89 1n3r s ARG 102 Cb -0.20 -2.48 0.03 0.00 -0.57 0.00 0.00 34.95 31.73 1n3r s ARG 102 CO 0.00 0.12 0.49 -0.25 -1.08 0.00 0.00 175.30 174.57 1n3r n ASP 103 N -1.36 -5.19 -4.66 -2.89 8.00 -1.14 -4.90 116.55 104.40 1n3r n ASP 103 Ca -0.02 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.79 1n3r n ASP 103 Cb 0.60 -4.24 -0.03 0.00 -0.02 0.00 0.00 41.12 37.43 1n3r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3r s ILE 104 N -3.05 3.30 0.23 0.53 1.01 -0.27 -4.77 121.20 118.18 1n3r s ILE 104 Ca 0.29 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 1n3r s ILE 104 Cb -0.14 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 1n3r s ILE 104 CO 0.36 -0.03 1.65 -0.89 0.00 0.00 0.00 174.94 176.02 1n3r s THR 105 N 4.09 2.16 -0.14 2.92 2.01 -1.26 -1.07 115.64 124.36 1n3r s THR 105 Ca 0.80 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 1n3r s THR 105 Cb -0.38 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1n3r s THR 105 CO 0.35 0.01 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.06 1n3r s LEU 106 N 0.60 1.09 -0.11 4.42 0.20 -0.90 -4.79 118.68 119.19 1n3r s LEU 106 Ca 0.70 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 55.04 1n3r s LEU 106 Cb -0.48 -0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1n3r s LEU 106 CO 0.37 -0.23 -0.19 0.42 -0.29 0.00 0.00 176.35 176.43 1n3r s THR 107 N 1.83 2.50 0.20 3.68 -4.23 -1.26 0.05 115.64 118.41 1n3r s THR 107 Ca 0.02 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1n3r s THR 107 Cb -0.15 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.69 1n3r s THR 107 CO -0.07 0.54 0.26 -0.24 -0.54 0.00 0.00 174.62 174.57 1n3r n SER 108 N 3.51 -0.71 -4.10 3.99 2.88 -0.59 -4.14 113.62 114.45 1n3r n SER 108 Ca -0.19 -2.09 -0.18 0.00 -1.33 0.00 0.00 58.87 55.09 1n3r n SER 108 Cb 0.53 1.36 -0.13 0.00 -0.75 0.00 0.00 64.21 65.22 1n3r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3r s THR 109 N -2.66 0.88 0.02 2.46 2.01 -1.24 -0.91 115.64 116.19 1n3r s THR 109 Ca 0.17 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1n3r s THR 109 Cb -0.00 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 1n3r s THR 109 CO 0.12 -0.06 0.55 0.00 -0.69 0.00 0.00 174.62 174.54 1n3r h GLU 111 N 5.18 0.00 -0.40 0.00 4.11 -1.50 0.13 114.58 122.10 1n3r h GLU 111 Ca -0.47 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.83 1n3r h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1n3r h GLU 111 CO 0.67 0.00 -0.26 0.66 0.07 0.00 0.00 179.01 180.15 1n3r h SER 112 N 0.00 0.85 0.00 3.06 4.64 -1.93 -3.38 113.55 116.79 1n3r h SER 112 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1n3r h SER 112 Cb 0.73 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1n3r h SER 112 CO 0.00 1.06 -0.14 1.41 -0.87 0.00 0.00 176.83 178.29 1n3r n HIS 113 N -4.10 0.00 -2.88 4.77 8.25 -1.22 -5.05 115.22 115.00 1n3r n HIS 113 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1n3r n HIS 113 Cb 0.46 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.63 1n3r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3r n PHE 114 N -0.69 -1.78 -4.19 4.41 3.01 0.44 -5.02 117.46 113.64 1n3r n PHE 114 Ca 0.00 0.66 -0.14 0.00 1.01 0.00 0.00 57.45 58.98 1n3r n PHE 114 Cb 0.00 -3.88 -0.11 0.00 -0.01 0.00 0.00 39.48 35.49 1n3r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3r s VAL 115 N -3.28 0.94 0.27 -4.37 1.01 -1.24 -4.91 120.40 108.81 1n3r s VAL 115 Ca 0.25 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1n3r s VAL 115 Cb -0.03 -1.48 -0.13 0.00 0.00 0.00 0.00 36.38 34.73 1n3r s VAL 115 CO 0.55 -0.64 1.33 0.41 0.00 0.00 0.00 175.10 176.75 1n3r n THR 116 N 0.35 1.30 -4.01 3.92 -1.04 -1.26 -1.28 114.28 112.25 1n3r n THR 116 Ca -0.14 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 1n3r n THR 116 Cb 0.59 -1.42 -0.16 0.00 -1.82 0.00 0.00 70.33 67.52 1n3r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3r s ILE 117 N -0.41 1.69 -0.28 12.58 1.01 -0.09 -1.53 121.20 134.16 1n3r s ILE 117 Ca 0.64 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1n3r s ILE 117 Cb -0.65 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1n3r s ILE 117 CO 0.54 0.21 0.06 -0.62 0.00 0.00 0.00 174.94 175.12 1n3r s ASP 118 N 1.38 4.99 0.00 3.58 2.15 0.14 -1.55 116.67 127.36 1n3r s ASP 118 Ca -0.01 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1n3r s ASP 118 Cb -0.16 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1n3r s ASP 118 CO -0.09 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1n3r n GLY 119 N 4.84 4.19 3.10 2.66 0.00 0.11 -0.52 105.19 119.57 1n3r n GLY 119 Ca -0.15 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 1n3r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3r s LYS 120 N -1.57 0.25 0.14 1.61 3.01 -0.26 -2.12 119.74 120.81 1n3r s LYS 120 Ca 0.00 0.41 0.10 0.00 -1.01 0.00 0.00 55.97 55.47 1n3r s LYS 120 Cb 0.00 0.04 -0.04 0.00 -1.01 0.00 0.00 37.83 36.81 1n3r s LYS 120 CO 0.00 -0.08 -0.23 0.00 0.51 0.00 0.00 175.35 175.55 1n3r s ALA 121 N 0.57 2.53 -0.12 5.17 0.00 -0.23 -1.75 121.76 127.93 1n3r s ALA 121 Ca -0.04 -1.47 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 1n3r s ALA 121 Cb -0.05 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1n3r s ALA 121 CO -0.03 0.53 -0.08 0.99 0.00 0.00 0.00 175.76 177.17 1n3r s THR 122 N -1.25 1.06 -0.04 0.00 2.01 0.55 -1.11 115.64 116.85 1n3r s THR 122 Ca 0.17 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1n3r s THR 122 Cb -0.10 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1n3r s THR 122 CO 0.09 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.48 1n3r s VAL 123 N 1.69 1.65 0.03 3.82 1.01 -0.27 -1.48 120.40 126.84 1n3r s VAL 123 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1n3r s VAL 123 Cb -0.13 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1n3r s VAL 123 CO -0.08 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 1n3r s ALA 124 N -0.09 0.45 0.13 5.51 0.00 -0.47 0.04 121.76 127.33 1n3r s ALA 124 Ca -0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.11 1n3r s ALA 124 Cb -0.12 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1n3r s ALA 124 CO 0.02 -0.03 0.47 1.52 0.00 0.00 0.00 175.76 177.74 1n3r s TYR 125 N -1.21 -0.32 -0.25 0.00 1.13 -0.93 -0.06 117.35 115.72 1n3r s TYR 125 Ca -0.09 0.06 -0.07 0.00 -1.41 0.00 0.00 57.07 55.55 1n3r s TYR 125 Cb -0.09 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 1n3r s TYR 125 CO 0.00 -0.74 0.07 0.42 -2.51 0.00 0.00 175.55 172.80 1n3r s ILE 126 N -3.67 4.37 0.31 -3.49 1.01 -0.79 -0.92 121.20 118.01 1n3r s ILE 126 Ca 0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1n3r s ILE 126 Cb 0.01 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.33 1n3r s ILE 126 CO -0.11 0.34 1.52 -2.84 0.00 0.00 0.00 174.94 173.85 1n3r s PRO 127 N 1.58 4.16 0.00 2.79 0.02 -1.26 -4.88 135.00 137.41 1n3r s PRO 127 Ca 0.06 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1n3r s PRO 127 Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1n3r s PRO 127 CO 0.04 -0.54 0.00 1.17 -0.33 0.00 0.00 177.00 177.34 1n3r n LYS 128 N 1.68 0.00 0.11 5.54 4.81 -1.26 -4.68 118.16 124.37 1n3r n LYS 128 Ca 0.06 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.61 1n3r n LYS 128 Cb 0.39 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.53 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1n3r h ASP 129 N 0.00 0.00 -5.12 3.14 3.32 -1.87 -3.45 116.42 112.44 1n3r h ASP 129 Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1n3r h ASP 129 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1n3r h ASP 129 CO 0.00 0.03 -0.49 -0.94 -1.72 0.00 0.00 179.24 176.11 1n3r s SER 130 N -5.18 0.19 -0.18 6.45 1.04 -1.26 -2.69 113.70 112.07 1n3r s SER 130 Ca 0.03 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1n3r s SER 130 Cb 0.10 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1n3r s SER 130 CO 0.74 -0.58 -0.11 -0.69 0.98 0.00 0.00 173.24 173.59 1n3r s VAL 131 N -3.06 2.99 0.44 5.02 1.01 -0.30 -4.68 120.40 121.82 1n3r s VAL 131 Ca -0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1n3r s VAL 131 Cb 0.01 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1n3r s VAL 131 CO -0.07 0.49 0.76 -0.51 0.00 0.00 0.00 175.10 175.77 1n3r s ILE 132 N 0.98 4.88 0.23 2.22 2.07 -1.26 -0.29 121.20 130.03 1n3r s ILE 132 Ca -0.01 0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 59.25 1n3r s ILE 132 Cb -0.15 -3.81 -0.09 0.00 0.13 0.00 0.00 42.46 38.54 1n3r s ILE 132 CO -0.01 -0.69 1.24 -0.83 -1.91 0.00 0.00 174.94 172.73 1n3r s GLY 133 N -3.71 2.71 0.07 1.50 0.00 -0.70 -4.91 107.32 102.28 1n3r s GLY 133 Ca 0.48 1.04 -0.17 0.00 0.00 0.00 0.00 44.72 46.08 1n3r s GLY 133 CO 0.39 1.88 1.28 1.41 0.00 0.00 0.00 173.10 178.07 1n3r h LEU 134 N 4.77 -0.96 -0.99 0.66 3.38 -1.95 -1.83 115.31 118.38 1n3r h LEU 134 Ca -0.46 0.12 0.33 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 134 Cb 1.22 0.39 -0.18 0.00 0.09 0.00 0.00 40.66 42.17 1n3r h LEU 134 CO 0.73 -0.22 0.24 0.77 0.09 0.00 0.00 178.44 180.05 1n3r h SER 135 N -0.22 -0.14 -1.04 -0.43 4.64 -2.00 0.20 113.55 114.56 1n3r h SER 135 Ca 0.03 0.27 0.27 0.00 -0.47 0.00 0.00 61.79 61.89 1n3r h SER 135 Cb 0.32 0.39 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 1n3r h SER 135 CO -0.30 -0.38 0.68 0.11 -0.87 0.00 0.00 176.83 176.07 1n3r h LYS 136 N 0.01 0.31 -0.11 4.77 1.79 -1.70 0.73 116.57 122.37 1n3r h LYS 136 Ca 0.70 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 59.14 1n3r h LYS 136 Cb 1.64 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.22 1n3r h LYS 136 CO -0.86 0.20 0.03 0.82 -1.08 0.00 0.00 179.45 178.56 1n3r h ILE 137 N 0.32 1.20 -0.60 1.86 2.04 -0.67 0.53 117.51 122.19 1n3r h ILE 137 Ca 0.57 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1n3r h ILE 137 Cb 1.59 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 1n3r h ILE 137 CO -0.22 0.18 0.37 0.78 0.00 0.00 0.00 178.15 179.26 1n3r h ASN 138 N -0.03 0.60 -0.56 1.72 2.35 0.25 -1.57 115.58 118.34 1n3r h ASN 138 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1n3r h ASN 138 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1n3r h ASN 138 CO 0.00 0.42 0.21 0.03 -1.65 0.00 0.00 177.43 176.44 1n3r h ARG 139 N 0.72 0.84 -0.41 0.81 3.08 -0.08 -1.76 114.38 117.58 1n3r h ARG 139 Ca 0.24 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1n3r h ARG 139 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1n3r h ARG 139 CO -0.10 0.74 0.14 0.82 -1.07 0.00 0.00 179.97 180.50 1n3r h ILE 140 N 0.77 1.21 -0.55 2.04 2.04 0.46 -1.57 117.51 121.91 1n3r h ILE 140 Ca 0.19 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.43 1n3r h ILE 140 Cb 0.22 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1n3r h ILE 140 CO -0.01 0.24 0.23 0.58 0.00 0.00 0.00 178.15 179.19 1n3r h VAL 141 N 0.51 0.86 0.00 1.67 2.07 -1.07 -0.85 116.25 119.44 1n3r h VAL 141 Ca 0.13 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1n3r h VAL 141 Cb 0.24 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1n3r h VAL 141 CO -0.01 0.08 0.00 1.56 0.02 0.00 0.00 177.57 179.22 1n3r h GLN 142 N 0.44 0.00 -0.06 1.57 1.08 -1.14 -2.57 115.11 114.43 1n3r h GLN 142 Ca 0.26 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 1n3r h GLN 142 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1n3r h GLN 142 CO -0.23 0.00 -0.19 0.35 -0.95 0.00 0.00 178.83 177.80 1n3r h PHE 143 N 0.00 0.31 0.00 2.96 3.57 -0.12 -1.92 116.94 121.74 1n3r h PHE 143 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1n3r h PHE 143 Cb 0.56 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1n3r h PHE 143 CO 0.00 0.81 0.00 1.19 -2.23 0.00 0.00 178.31 178.08 1n3r n PHE 144 N -4.56 0.53 0.04 0.41 3.72 -1.02 -3.12 117.46 113.47 1n3r n PHE 144 Ca -0.08 0.17 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 1n3r n PHE 144 Cb 0.42 -0.78 -0.13 0.00 -0.94 0.00 0.00 39.48 38.05 1n3r n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n3r h ALA 145 N 2.58 0.41 -0.02 4.37 0.00 -1.30 -3.37 119.26 121.93 1n3r h ALA 145 Ca 0.00 -1.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.11 1n3r h ALA 145 Cb 0.52 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1n3r h ALA 145 CO 0.00 1.28 3.62 1.04 0.00 0.00 0.00 179.25 185.19 1n3r n GLN 146 N -3.33 3.50 -3.75 0.00 1.13 -0.74 -4.15 117.38 110.05 1n3r n GLN 146 Ca -0.11 -2.35 -0.10 0.00 -1.94 0.00 0.00 57.00 52.50 1n3r n GLN 146 Cb 1.01 -2.93 -0.04 0.00 0.11 0.00 0.00 30.24 28.39 1n3r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3r s ARG 147 N 2.36 1.28 0.11 -1.09 0.52 -1.11 -0.41 118.95 120.60 1n3r s ARG 147 Ca 0.63 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 1n3r s ARG 147 Cb 0.17 0.49 -0.07 0.00 0.52 0.00 0.00 34.95 36.06 1n3r s ARG 147 CO -0.07 -0.52 1.23 -2.14 0.02 0.00 0.00 175.30 173.81 1n3r s PRO 148 N -3.87 4.43 0.20 3.54 0.02 -1.26 -3.66 135.00 134.40 1n3r s PRO 148 Ca 0.09 1.85 0.03 0.00 0.02 0.00 0.00 61.00 62.98 1n3r s PRO 148 Cb 0.00 -3.30 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1n3r s PRO 148 CO -0.04 -0.23 -0.00 -0.65 -0.33 0.00 0.00 177.00 175.74 1n3r s GLN 149 N 0.68 1.23 -0.21 5.54 -1.52 0.13 -4.67 119.66 120.83 1n3r s GLN 149 Ca 0.58 -1.61 0.01 0.00 -1.95 0.00 0.00 55.36 52.39 1n3r s GLN 149 Cb -0.31 -0.45 0.04 0.00 -0.22 0.00 0.00 33.01 32.07 1n3r s GLN 149 CO 0.32 -0.11 -0.11 0.08 -0.25 0.00 0.00 175.29 175.21 1n3r s VAL 150 N -3.53 1.75 0.42 1.09 1.01 -1.26 -1.39 120.40 118.49 1n3r s VAL 150 Ca 0.26 -1.11 0.22 0.00 0.00 0.00 0.00 61.98 61.35 1n3r s VAL 150 Cb 0.06 -1.82 0.42 0.00 0.00 0.00 0.00 36.38 35.04 1n3r s VAL 150 CO 0.07 0.15 1.75 -0.61 0.00 0.00 0.00 175.10 176.46 1n3r h GLN 151 N 7.94 0.29 -0.23 2.72 4.15 -1.99 0.35 115.11 128.35 1n3r h GLN 151 Ca -0.27 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.01 1n3r h GLN 151 Cb 1.09 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 1n3r h GLN 151 CO 0.48 0.19 -0.36 0.93 -1.93 0.00 0.00 178.83 178.15 1n3r h GLU 152 N 0.30 0.50 0.03 1.69 3.07 -1.99 -2.41 114.58 115.78 1n3r h GLU 152 Ca 0.62 -0.23 -0.25 0.00 -0.50 0.00 0.00 59.36 59.00 1n3r h GLU 152 Cb 1.74 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.67 1n3r h GLU 152 CO -0.28 0.79 -0.98 -0.09 -1.40 0.00 0.00 179.01 177.05 1n3r h ARG 153 N 0.42 0.61 -0.87 2.33 2.43 -0.83 -3.27 114.38 115.21 1n3r h ARG 153 Ca 0.04 -0.70 0.06 0.00 -0.81 0.00 0.00 59.98 58.57 1n3r h ARG 153 Cb 0.83 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 1n3r h ARG 153 CO 0.07 1.29 0.55 1.25 -1.51 0.00 0.00 179.97 181.62 1n3r h LEU 154 N 0.24 0.87 0.58 3.80 5.85 -0.94 -1.83 115.31 123.88 1n3r h LEU 154 Ca -0.13 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1n3r h LEU 154 Cb 1.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1n3r h LEU 154 CO 0.19 0.56 -0.39 0.74 -0.34 0.00 0.00 178.44 179.21 1n3r h THR 155 N 1.01 0.22 -0.97 1.05 2.02 -1.51 -2.38 112.91 112.34 1n3r h THR 155 Ca 0.38 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.73 1n3r h THR 155 Cb 0.15 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 1n3r h THR 155 CO -0.17 0.00 0.58 1.56 0.37 0.00 0.00 175.52 177.86 1n3r h GLN 156 N -0.93 0.76 0.19 6.66 1.08 -1.56 -1.48 115.11 119.83 1n3r h GLN 156 Ca -0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1n3r h GLN 156 Cb 0.76 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1n3r h GLN 156 CO 0.05 0.50 -0.09 1.96 -0.95 0.00 0.00 178.83 180.30 1n3r h GLN 157 N 0.78 -0.25 -0.47 1.46 4.20 -1.13 -0.12 115.11 119.59 1n3r h GLN 157 Ca 0.54 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.36 1n3r h GLN 157 Cb 0.77 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.51 1n3r h GLN 157 CO -0.36 -0.05 -0.22 0.82 -0.67 0.00 0.00 178.83 178.35 1n3r h ILE 158 N -0.39 0.36 0.12 2.54 1.08 -0.94 0.79 117.51 121.07 1n3r h ILE 158 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1n3r h ILE 158 Cb 0.30 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1n3r h ILE 158 CO 0.04 0.00 -0.17 0.25 -0.69 0.00 0.00 178.15 177.59 1n3r h LEU 159 N -0.12 -0.48 -0.58 1.44 5.85 -1.03 0.77 115.31 121.16 1n3r h LEU 159 Ca 0.22 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1n3r h LEU 159 Cb 0.46 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1n3r h LEU 159 CO -0.54 -0.20 0.21 0.40 -0.34 0.00 0.00 178.44 177.97 1n3r h ILE 160 N -0.30 0.78 -0.62 4.05 1.08 -0.75 0.24 117.51 122.00 1n3r h ILE 160 Ca -0.01 -0.14 0.12 0.00 -0.39 0.00 0.00 64.86 64.44 1n3r h ILE 160 Cb 0.27 0.36 -0.09 0.00 -3.07 0.00 0.00 36.82 34.29 1n3r h ILE 160 CO -0.05 0.07 0.15 0.00 -0.69 0.00 0.00 178.15 177.64 1n3r h ALA 161 N 1.40 0.76 -0.15 1.87 0.00 0.86 -0.56 119.26 123.43 1n3r h ALA 161 Ca 0.29 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 1n3r h ALA 161 Cb 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n3r h ALA 161 CO -0.29 -0.29 -0.66 -0.07 0.00 0.00 0.00 179.25 177.94 1n3r h LEU 162 N 0.29 0.67 -0.77 0.00 3.38 0.19 -2.48 115.31 116.58 1n3r h LEU 162 Ca 0.33 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1n3r h LEU 162 Cb 0.49 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1n3r h LEU 162 CO -0.40 1.15 0.50 1.56 0.09 0.00 0.00 178.44 181.34 1n3r h GLN 163 N 0.42 0.98 -0.48 1.13 4.20 -0.14 0.84 115.11 122.06 1n3r h GLN 163 Ca -0.02 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1n3r h GLN 163 Cb 1.23 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1n3r h GLN 163 CO 0.12 0.65 -0.13 1.15 -0.67 0.00 0.00 178.83 179.96 1n3r h THR 164 N 1.01 1.27 -0.03 -0.54 2.02 -1.09 -1.02 112.91 114.53 1n3r h THR 164 Ca 0.29 -1.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1n3r h THR 164 Cb -0.08 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1n3r h THR 164 CO -0.07 0.44 -0.60 -0.07 0.37 0.00 0.00 175.52 175.58 1n3r h LEU 165 N 0.79 0.14 -0.56 2.58 3.38 -0.98 -3.18 115.31 117.48 1n3r h LEU 165 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n3r h LEU 165 Cb 0.69 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1n3r h LEU 165 CO 0.05 0.70 -0.48 0.18 0.09 0.00 0.00 178.44 178.99 1n3r n LEU 166 N -3.85 1.35 -3.22 1.67 4.77 0.25 -4.97 117.00 113.00 1n3r n LEU 166 Ca -0.02 -0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 55.33 1n3r n LEU 166 Cb 0.61 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.70 1n3r n LEU 166 CO 0.43 0.26 0.14 0.61 -1.33 0.00 0.00 177.39 177.51 1n3r n GLY 167 N 1.41 -0.32 3.47 -0.72 0.00 -0.44 -4.65 105.19 103.95 1n3r n GLY 167 Ca 0.09 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1n3r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3r s THR 168 N -3.31 0.01 -1.47 2.61 2.01 -0.91 -4.80 115.64 109.77 1n3r s THR 168 Ca 0.18 -0.06 0.24 0.00 0.31 0.00 0.00 61.69 62.35 1n3r s THR 168 Cb -0.08 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1n3r s THR 168 CO 0.66 -0.03 1.22 0.59 -0.69 0.00 0.00 174.62 176.36 1n3r n ASN 169 N 0.69 1.19 -4.02 3.53 3.02 -1.26 -4.31 115.26 114.09 1n3r n ASN 169 Ca -0.19 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 52.98 1n3r n ASN 169 Cb 0.58 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 1n3r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3r n ASN 170 N -0.88 4.51 -4.09 6.41 3.02 -1.26 -0.37 115.26 122.59 1n3r n ASN 170 Ca 0.08 -2.93 -0.10 0.00 -0.03 0.00 0.00 54.58 51.59 1n3r n ASN 170 Cb 0.37 -1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 37.81 1n3r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3r s VAL 171 N 2.67 0.47 -0.15 2.41 1.01 -1.26 -1.89 120.40 123.66 1n3r s VAL 171 Ca 0.47 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1n3r s VAL 171 Cb 0.09 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.44 1n3r s VAL 171 CO -0.02 -0.68 0.37 0.00 0.00 0.00 0.00 175.10 174.77 1n3r s ALA 172 N -2.60 -0.92 0.03 5.51 0.00 0.92 -1.65 121.76 123.04 1n3r s ALA 172 Ca -0.01 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1n3r s ALA 172 Cb -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1n3r s ALA 172 CO -0.03 -0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.43 1n3r s VAL 173 N 0.98 1.24 -0.12 0.00 1.01 -0.62 -1.36 120.40 121.52 1n3r s VAL 173 Ca -0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1n3r s VAL 173 Cb -0.07 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.26 1n3r s VAL 173 CO -0.08 0.10 0.29 -0.55 0.00 0.00 0.00 175.10 174.86 1n3r s SER 174 N -1.02 -0.33 -0.13 3.32 0.15 -0.55 -0.54 113.70 114.60 1n3r s SER 174 Ca 0.03 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1n3r s SER 174 Cb -0.08 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1n3r s SER 174 CO 0.01 -0.17 -0.12 -0.63 1.20 0.00 0.00 173.24 173.53 1n3r s ILE 175 N 1.21 1.39 -0.18 6.45 1.01 0.49 -0.33 121.20 131.24 1n3r s ILE 175 Ca -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1n3r s ILE 175 Cb -0.09 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1n3r s ILE 175 CO -0.09 0.43 -0.02 -0.62 0.00 0.00 0.00 174.94 174.64 1n3r s ASP 176 N 1.44 4.77 0.10 3.58 2.15 -0.72 -0.82 116.67 127.18 1n3r s ASP 176 Ca 0.02 -0.18 -0.17 0.00 0.43 0.00 0.00 52.55 52.65 1n3r s ASP 176 Cb -0.13 -1.80 0.04 0.00 -0.30 0.00 0.00 42.92 40.73 1n3r s ASP 176 CO -0.08 0.11 0.42 0.00 -0.17 0.00 0.00 175.17 175.46 1n3r s ALA 177 N 0.69 -1.01 -0.13 3.66 0.00 0.11 -1.10 121.76 123.98 1n3r s ALA 177 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1n3r s ALA 177 Cb -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 1n3r s ALA 177 CO 0.02 -0.60 0.00 0.08 0.00 0.00 0.00 175.76 175.26 1n3r s VAL 178 N -3.43 4.29 -0.38 0.00 1.01 0.33 -0.49 120.40 121.73 1n3r s VAL 178 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1n3r s VAL 178 Cb 0.01 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1n3r s VAL 178 CO -0.09 0.54 0.19 -1.00 0.00 0.00 0.00 175.10 174.74 1n3r s HIS 179 N -0.23 3.30 -1.28 5.22 3.76 -1.26 -0.68 115.29 124.12 1n3r s HIS 179 Ca 0.06 -1.41 0.07 0.00 -0.15 0.00 0.00 55.06 53.63 1n3r s HIS 179 Cb -0.12 -2.61 0.33 0.00 1.11 0.00 0.00 32.58 31.28 1n3r s HIS 179 CO 0.02 -0.77 1.12 0.66 -0.85 0.00 0.00 174.74 174.93 1n3r n TYR 180 N 4.88 0.00 0.40 1.40 4.02 -0.58 -0.43 117.16 126.85 1n3r n TYR 180 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1n3r n TYR 180 Cb 0.44 -0.36 0.28 0.00 -0.02 0.00 0.00 39.34 39.67 1n3r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n VAL 182 N -2.73 1.53 -0.01 0.00 0.31 0.43 -4.24 118.33 113.62 1n3r n VAL 182 Ca 0.05 -0.72 -0.17 0.00 -0.01 0.00 0.00 64.34 63.49 1n3r n VAL 182 Cb 0.49 -1.09 -0.14 0.00 -0.91 0.00 0.00 33.84 32.18 1n3r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3r h LYS 183 N 0.01 0.15 -0.37 5.55 3.64 -1.13 0.59 116.57 125.02 1n3r h LYS 183 Ca -0.50 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 58.48 1n3r h LYS 183 Cb 2.06 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.89 1n3r h LYS 183 CO 0.01 1.13 0.01 0.00 -2.27 0.00 0.00 179.45 178.32 1n3r n ALA 184 N -2.67 3.93 -3.61 5.00 0.00 -0.06 -4.09 120.51 119.01 1n3r n ALA 184 Ca -0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 53.44 50.45 1n3r n ALA 184 Cb 0.66 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 1n3r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3r s ARG 185 N -3.10 0.82 6.84 0.00 3.52 -1.24 -4.99 118.95 120.80 1n3r s ARG 185 Ca 0.45 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1n3r s ARG 185 Cb 0.39 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 34.10 1n3r s ARG 185 CO 0.04 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1n3r n GLY 186 N -0.33 3.88 0.24 8.12 0.00 -1.26 -0.78 105.19 115.06 1n3r n GLY 186 Ca -0.07 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1n3r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3r h ILE 187 N 0.00 1.06 -5.51 -0.61 6.09 -1.84 -3.46 117.51 113.24 1n3r h ILE 187 Ca 0.00 -0.30 -0.37 0.00 -1.37 0.00 0.00 64.86 62.83 1n3r h ILE 187 Cb 0.00 1.15 0.13 0.00 0.47 0.00 0.00 36.82 38.57 1n3r h ILE 187 CO 0.00 0.09 -0.64 0.54 -3.07 0.00 0.00 178.15 175.07 1n3r n ARG 188 N -4.44 -7.37 -2.29 2.19 1.74 0.04 -4.96 116.66 101.58 1n3r n ARG 188 Ca -0.03 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 1n3r n ARG 188 Cb 0.16 -5.66 -0.03 0.00 -1.02 0.00 0.00 32.46 25.92 1n3r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3r s ASP 189 N -3.37 6.89 0.00 0.55 -1.08 0.04 -4.83 116.67 114.87 1n3r s ASP 189 Ca 0.51 1.96 0.21 0.00 -0.52 0.00 0.00 52.55 54.71 1n3r s ASP 189 Cb -0.22 -2.55 0.58 0.00 -1.46 0.00 0.00 42.92 39.26 1n3r s ASP 189 CO 0.68 -0.73 1.49 0.00 0.52 0.00 0.00 175.17 177.12 1n3r n ALA 190 N 5.94 2.36 0.00 3.66 0.00 -1.26 -3.66 120.51 127.55 1n3r n ALA 190 Ca 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1n3r n ALA 190 Cb 0.44 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1n3r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3r n THR 191 N 1.51 0.00 -2.31 0.00 -2.24 -1.26 -5.10 114.28 104.89 1n3r n THR 191 Ca 0.22 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 1n3r n THR 191 Cb 0.60 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1n3r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3r s SER 192 N -0.84 6.35 0.06 3.42 1.04 -1.26 -5.11 113.70 117.37 1n3r s SER 192 Ca 0.00 1.27 -0.07 0.00 0.48 0.00 0.00 55.95 57.64 1n3r s SER 192 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 1n3r s SER 192 CO 0.00 -0.67 0.13 0.00 0.98 0.00 0.00 173.24 173.68 1n3r s ALA 193 N -2.84 -0.10 -0.11 5.32 0.00 -1.26 -4.78 121.76 117.99 1n3r s ALA 193 Ca 0.53 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1n3r s ALA 193 Cb -0.11 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1n3r s ALA 193 CO 0.44 -0.40 -0.10 0.99 0.00 0.00 0.00 175.76 176.69 1n3r s THR 194 N -3.24 3.41 -0.18 0.00 2.01 0.35 -4.91 115.64 113.08 1n3r s THR 194 Ca 0.00 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1n3r s THR 194 Cb 0.02 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1n3r s THR 194 CO -0.08 0.55 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.32 1n3r s THR 195 N -0.11 2.13 0.10 -0.82 2.01 -1.25 -0.71 115.64 116.98 1n3r s THR 195 Ca -0.00 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.18 1n3r s THR 195 Cb -0.13 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1n3r s THR 195 CO 0.03 0.53 -0.25 0.42 -0.69 0.00 0.00 174.62 174.66 1n3r s THR 196 N 1.30 2.34 -0.01 -0.82 -4.23 -0.00 -4.96 115.64 109.25 1n3r s THR 196 Ca 0.05 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1n3r s THR 196 Cb -0.13 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1n3r s THR 196 CO -0.12 0.19 0.04 0.42 -0.54 0.00 0.00 174.62 174.61 1n3r s THR 197 N -0.99 0.03 -0.23 3.99 -4.23 -1.26 -0.38 115.64 112.57 1n3r s THR 197 Ca 0.14 -0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1n3r s THR 197 Cb -0.10 -0.14 0.07 0.00 1.34 0.00 0.00 72.50 73.67 1n3r s THR 197 CO 0.05 -0.12 0.03 -0.44 -0.54 0.00 0.00 174.62 173.60 1n3r s SER 198 N -0.37 3.40 -0.09 3.99 0.01 0.30 -4.99 113.70 115.94 1n3r s SER 198 Ca -0.04 -1.11 -0.03 0.00 1.31 0.00 0.00 55.95 56.08 1n3r s SER 198 Cb -0.03 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 1n3r s SER 198 CO -0.00 -0.32 0.02 -0.76 0.41 0.00 0.00 173.24 172.59 1n3r s LEU 199 N 1.70 3.69 0.49 2.44 1.43 -1.26 -1.59 118.68 125.57 1n3r s LEU 199 Ca 0.01 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1n3r s LEU 199 Cb -0.17 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1n3r s LEU 199 CO -0.12 0.38 0.01 -0.83 0.23 0.00 0.00 176.35 176.02 1n3r s GLY 200 N -0.89 2.93 0.00 -3.19 0.00 -0.66 -4.67 107.32 100.84 1n3r s GLY 200 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1n3r s GLY 200 CO 0.02 -2.16 0.00 0.61 0.00 0.00 0.00 173.10 171.57 1n3r n GLY 201 N -1.20 0.98 0.48 0.20 0.00 0.50 -1.36 105.19 104.80 1n3r n GLY 201 Ca -0.16 -0.08 0.30 0.00 0.00 0.00 0.00 46.02 46.08 1n3r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 202 N 0.00 0.18 -2.28 0.99 3.38 -1.95 0.31 115.31 115.95 1n3r h LEU 202 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1n3r h LEU 202 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n3r h LEU 202 CO 0.00 0.03 -0.01 -0.26 0.09 0.00 0.00 178.44 178.29 1n3r h PHE 203 N 0.16 0.00 0.00 1.13 0.04 -1.47 0.28 116.94 117.07 1n3r h PHE 203 Ca 0.57 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 61.18 1n3r h PHE 203 Cb 1.93 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.05 1n3r h PHE 203 CO -0.00 0.01 -1.54 1.17 -0.60 0.00 0.00 178.31 177.35 1n3r n LYS 204 N -3.14 0.55 -0.13 1.51 4.81 0.99 -3.86 118.16 118.90 1n3r n LYS 204 Ca -0.01 0.23 -0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1n3r n LYS 204 Cb 0.18 -1.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.76 1n3r n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3r h SER 205 N -1.00 0.92 -3.54 3.14 4.64 -1.31 -3.42 113.55 112.99 1n3r h SER 205 Ca -0.25 -0.44 -0.62 0.00 -0.47 0.00 0.00 61.79 60.02 1n3r h SER 205 Cb 1.21 -0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.92 1n3r h SER 205 CO -0.15 1.16 0.26 -0.55 -0.87 0.00 0.00 176.83 176.69 1n3r s SER 206 N -6.68 6.50 0.52 4.97 0.15 0.96 -4.91 113.70 115.21 1n3r s SER 206 Ca -0.12 0.28 0.18 0.00 0.70 0.00 0.00 55.95 56.99 1n3r s SER 206 Cb 0.11 -2.36 1.32 0.00 -1.71 0.00 0.00 66.02 63.37 1n3r s SER 206 CO 0.86 -0.65 2.14 -0.61 1.20 0.00 0.00 173.24 176.17 1n3r h GLN 207 N 8.44 0.00 0.29 5.44 5.75 -1.81 0.08 115.11 133.29 1n3r h GLN 207 Ca -0.25 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1n3r h GLN 207 Cb 1.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1n3r h GLN 207 CO 0.87 0.04 -0.14 -0.97 -2.65 0.00 0.00 178.83 175.98 1n3r h ASN 208 N 0.00 -0.33 -0.85 -0.69 -1.24 -1.90 -2.55 115.58 108.02 1n3r h ASN 208 Ca -0.00 0.01 0.17 0.00 0.71 0.00 0.00 56.30 57.19 1n3r h ASN 208 Cb 0.07 0.08 -0.10 0.00 0.73 0.00 0.00 38.32 39.10 1n3r h ASN 208 CO 0.01 -0.07 0.40 0.74 -1.29 0.00 0.00 177.43 177.22 1n3r h THR 209 N -0.72 0.63 -0.14 -3.57 2.02 -1.78 -0.67 112.91 108.68 1n3r h THR 209 Ca -0.04 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1n3r h THR 209 Cb 0.30 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.72 1n3r h THR 209 CO 0.06 0.09 -0.22 -0.09 0.37 0.00 0.00 175.52 175.74 1n3r h ARG 210 N 0.52 -0.26 0.00 6.66 2.43 -1.04 -2.22 114.38 120.47 1n3r h ARG 210 Ca 0.49 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1n3r h ARG 210 Cb 0.79 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1n3r h ARG 210 CO -0.43 -0.17 0.00 0.45 -1.51 0.00 0.00 179.97 178.31 1n3r h HIS 211 N -0.27 0.00 -0.17 2.20 3.86 -0.86 0.39 115.15 120.30 1n3r h HIS 211 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1n3r h HIS 211 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1n3r h HIS 211 CO -0.33 0.00 -0.05 0.93 0.86 0.00 0.00 177.93 179.34 1n3r h GLU 212 N 0.00 0.34 0.15 2.45 5.08 -0.73 -0.18 114.58 121.69 1n3r h GLU 212 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1n3r h GLU 212 Cb 0.83 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n3r h GLU 212 CO 0.00 0.62 -0.07 0.35 -1.00 0.00 0.00 179.01 178.91 1n3r h PHE 213 N 0.03 -0.19 0.00 4.33 3.57 -1.27 -2.18 116.94 121.24 1n3r h PHE 213 Ca 0.04 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1n3r h PHE 213 Cb 0.50 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1n3r h PHE 213 CO 0.06 0.20 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.26 1n3r h LEU 214 N -0.62 0.00 -0.12 0.59 3.38 -0.96 -0.28 115.31 117.30 1n3r h LEU 214 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1n3r h LEU 214 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1n3r h LEU 214 CO 0.03 0.01 -0.84 -0.09 0.09 0.00 0.00 178.44 177.64 1n3r h ARG 215 N 0.00 0.00 -0.57 1.13 2.43 -0.93 -3.23 114.38 113.21 1n3r h ARG 215 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n3r h ARG 215 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1n3r h ARG 215 CO 0.00 0.84 0.00 0.00 -1.51 0.00 0.00 179.97 179.30 1n3r n ALA 216 N -2.33 2.76 -2.41 2.80 0.00 -0.13 -4.90 120.51 116.29 1n3r n ALA 216 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1n3r n ALA 216 Cb 0.85 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1n3r n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3r s VAL 217 N -1.65 3.40 -0.45 0.00 1.01 -1.10 -4.84 120.40 116.77 1n3r s VAL 217 Ca 0.20 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 1n3r s VAL 217 Cb 0.13 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1n3r s VAL 217 CO 0.10 -0.13 0.54 -1.14 0.00 0.00 0.00 175.10 174.47 1n3r n ARG 218 N -1.47 -1.80 -4.40 2.72 0.00 -1.26 -5.07 116.66 105.38 1n3r n ARG 218 Ca 0.00 1.75 -0.26 0.00 -0.00 0.00 0.00 57.85 59.34 1n3r n ARG 218 Cb 0.60 -5.14 -0.12 0.00 0.00 0.00 0.00 32.46 27.80 1n3r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3r s HIS 219 N -2.56 2.20 -0.10 -0.14 3.76 -1.26 -5.14 115.29 112.04 1n3r s HIS 219 Ca 0.15 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 1n3r s HIS 219 Cb -0.04 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1n3r s HIS 219 CO 0.66 0.44 -0.14 -1.58 -0.85 0.00 0.00 174.74 173.27 1n3r s HIS 220 N -1.62 1.83 0.00 1.40 2.46 -1.26 -4.88 115.29 113.21 1n3r s HIS 220 Ca 0.18 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 54.86 1n3r s HIS 220 Cb -0.08 -1.35 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1n3r s HIS 220 CO 0.09 -0.46 0.00 0.09 -2.47 0.00 0.00 174.74 171.99