#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4r s ASP 19 N 0.00 4.03 -0.39 -1.43 3.84 -1.26 -5.07 116.67 116.39 1n4r s ASP 19 Ca 0.00 -1.16 -0.27 0.00 -0.00 0.00 0.00 52.55 51.12 1n4r s ASP 19 Cb 0.00 -0.44 0.02 0.00 -1.38 0.00 0.00 42.92 41.12 1n4r s ASP 19 CO 0.00 -0.34 0.99 0.12 -0.00 0.00 0.00 175.17 175.94 1n4r s PHE 20 N -2.61 3.03 -1.17 2.11 5.36 -1.26 -4.94 117.98 118.50 1n4r s PHE 20 Ca 0.35 0.79 -0.08 0.00 -0.96 0.00 0.00 56.93 57.03 1n4r s PHE 20 Cb 0.04 -3.83 -0.10 0.00 -0.34 0.00 0.00 43.02 38.78 1n4r s PHE 20 CO 0.19 -0.93 3.05 1.28 -1.46 0.00 0.00 175.22 177.35 1n4r n LEU 21 N 7.03 7.80 -0.35 6.12 4.32 -1.26 -4.83 117.00 135.83 1n4r n LEU 21 Ca 0.09 -4.14 -0.00 0.00 -0.02 0.00 0.00 56.01 51.93 1n4r n LEU 21 Cb 0.48 -1.49 0.05 0.00 -1.62 0.00 0.00 43.42 40.83 1n4r n LEU 21 CO 0.61 1.98 0.54 -1.14 -1.22 0.00 0.00 177.39 178.16 1n4r n ARG 22 N 3.02 -0.20 -0.24 3.23 0.63 -1.26 -1.24 116.66 120.60 1n4r n ARG 22 Ca 0.68 1.40 -0.02 0.00 -0.92 0.00 0.00 57.85 58.98 1n4r n ARG 22 Cb 0.40 -2.07 0.16 0.00 0.45 0.00 0.00 32.46 31.40 1n4r n ARG 22 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1n4r h ASP 23 N 0.00 0.95 -0.52 6.15 3.32 -2.00 -1.76 116.42 122.56 1n4r h ASP 23 Ca 0.33 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1n4r h ASP 23 Cb 0.55 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1n4r h ASP 23 CO -0.90 0.79 0.33 -0.09 -1.72 0.00 0.00 179.24 177.64 1n4r h ARG 24 N 1.06 0.69 0.00 3.56 9.65 -1.58 -1.70 114.38 126.06 1n4r h ARG 24 Ca 0.26 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1n4r h ARG 24 Cb 0.07 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1n4r h ARG 24 CO -0.04 0.48 -0.32 0.45 2.80 0.00 0.00 179.97 183.34 1n4r h HIS 25 N 0.70 0.00 -0.37 2.20 3.86 -1.06 -1.55 115.15 118.92 1n4r h HIS 25 Ca 0.19 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1n4r h HIS 25 Cb -0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1n4r h HIS 25 CO -0.03 0.32 -0.14 0.28 0.86 0.00 0.00 177.93 179.22 1n4r h VAL 26 N 0.00 1.28 -0.60 2.45 2.07 -0.48 -2.17 116.25 118.81 1n4r h VAL 26 Ca -0.00 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1n4r h VAL 26 Cb 0.60 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1n4r h VAL 26 CO 0.04 0.41 0.24 0.03 0.02 0.00 0.00 177.57 178.31 1n4r h ARG 27 N 0.54 0.89 -0.29 1.57 3.08 -1.02 -1.80 114.38 117.35 1n4r h ARG 27 Ca 0.09 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1n4r h ARG 27 Cb 0.67 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 1n4r h ARG 27 CO 0.05 0.76 -0.23 0.35 -1.07 0.00 0.00 179.97 179.83 1n4r h PHE 28 N 0.83 -0.61 -0.13 3.04 3.57 -1.07 0.78 116.94 123.35 1n4r h PHE 28 Ca 0.20 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1n4r h PHE 28 Cb 0.21 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1n4r h PHE 28 CO 0.01 -0.31 -0.16 0.74 -2.23 0.00 0.00 178.31 176.36 1n4r h PHE 29 N -0.21 0.23 -0.31 0.41 0.05 -1.21 -1.78 116.94 114.11 1n4r h PHE 29 Ca 0.15 -0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.89 1n4r h PHE 29 Cb 0.45 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.32 1n4r h PHE 29 CO -0.41 0.38 0.10 1.96 -0.18 0.00 0.00 178.31 180.17 1n4r h GLN 30 N 0.20 0.47 -0.95 1.51 4.20 -0.21 -2.62 115.11 117.72 1n4r h GLN 30 Ca 0.04 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1n4r h GLN 30 Cb 0.42 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1n4r h GLN 30 CO 0.03 0.51 0.62 0.00 -0.67 0.00 0.00 178.83 179.31 1n4r h ARG 31 N 0.34 1.27 -0.93 1.46 3.08 -0.51 -2.10 114.38 116.99 1n4r h ARG 31 Ca 0.10 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1n4r h ARG 31 Cb 0.23 -0.28 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1n4r h ARG 31 CO -0.00 0.85 0.61 0.00 -1.07 0.00 0.00 179.97 180.36 1n4r h LEU 33 N 1.11 0.00 0.00 0.00 -0.00 -1.03 -3.40 115.31 111.99 1n4r h LEU 33 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 1n4r h LEU 33 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1n4r h LEU 33 CO -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.30 1n4r n GLN 34 N -2.45 0.00 -3.90 1.13 6.02 -0.24 -5.05 117.38 112.89 1n4r n GLN 34 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1n4r n GLN 34 Cb 0.33 -0.22 -0.12 0.00 1.02 0.00 0.00 30.24 31.25 1n4r n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n4r s VAL 35 N 0.00 0.04 0.07 5.09 1.01 -1.16 -5.12 120.40 120.34 1n4r s VAL 35 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1n4r s VAL 35 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1n4r s VAL 35 CO 0.00 -0.19 -0.23 -0.76 0.00 0.00 0.00 175.10 173.92 1n4r s LEU 36 N -0.58 2.42 0.50 3.92 1.43 -1.26 -4.79 118.68 120.31 1n4r s LEU 36 Ca -0.06 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 1n4r s LEU 36 Cb -0.04 -1.38 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 1n4r s LEU 36 CO -0.00 0.23 1.16 -2.84 0.23 0.00 0.00 176.35 175.13 1n4r s PRO 37 N -1.61 3.57 0.37 1.29 0.02 -1.26 -4.87 135.00 132.50 1n4r s PRO 37 Ca 0.14 1.74 0.11 0.00 0.02 0.00 0.00 61.00 63.01 1n4r s PRO 37 Cb -0.10 -2.25 0.58 0.00 0.02 0.00 0.00 34.50 32.75 1n4r s PRO 37 CO 0.05 -0.70 1.20 1.05 -0.33 0.00 0.00 177.00 178.27 1n4r h GLU 38 N 1.70 0.00 0.00 5.54 9.09 -2.03 0.30 114.58 129.18 1n4r h GLU 38 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1n4r h GLU 38 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1n4r h GLU 38 CO 0.59 0.00 0.00 2.89 0.05 0.00 0.00 179.01 182.54 1n4r n ARG 39 N -2.06 0.98 -0.15 1.06 1.85 -1.26 -2.66 116.66 114.42 1n4r n ARG 39 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 1n4r n ARG 39 Cb 0.46 -1.10 0.13 0.00 -1.05 0.00 0.00 32.46 30.90 1n4r n ARG 39 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n4r n TYR 40 N -0.60 0.00 0.11 2.89 4.02 0.09 -4.75 117.16 118.92 1n4r n TYR 40 Ca 0.05 -0.92 0.16 0.00 -0.01 0.00 0.00 57.90 57.18 1n4r n TYR 40 Cb 0.02 -0.14 0.69 0.00 -0.02 0.00 0.00 39.34 39.89 1n4r n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4r h SER 41 N 0.05 0.00 0.15 7.72 4.64 -1.69 -1.12 113.55 123.31 1n4r h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4r h SER 41 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1n4r h SER 41 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1n4r n SER 42 N -4.35 0.00 -0.70 4.97 3.41 -1.26 -1.16 113.62 114.54 1n4r n SER 42 Ca 0.05 0.06 0.10 0.00 -0.26 0.00 0.00 58.87 58.81 1n4r n SER 42 Cb 0.41 -0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1n4r n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4r n LEU 43 N -1.23 2.44 -0.30 1.04 4.77 -0.42 -4.66 117.00 118.64 1n4r n LEU 43 Ca 0.05 -0.93 -0.03 0.00 -0.03 0.00 0.00 56.01 55.07 1n4r n LEU 43 Cb 0.07 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1n4r n LEU 43 CO 0.07 0.43 0.60 -0.08 -1.33 0.00 0.00 177.39 177.08 1n4r h GLU 44 N 3.44 -0.08 0.00 3.23 4.57 -1.28 0.17 114.58 124.64 1n4r h GLU 44 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1n4r h GLU 44 Cb 0.79 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1n4r h GLU 44 CO 0.00 -0.05 0.00 0.25 -1.18 0.00 0.00 179.01 178.03 1n4r n THR 45 N -5.45 0.00 -2.70 0.32 -2.24 -1.26 -2.99 114.28 99.96 1n4r n THR 45 Ca 0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 1n4r n THR 45 Cb 0.38 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1n4r n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n4r n SER 46 N -0.67 1.04 0.15 3.42 3.41 0.53 -4.06 113.62 117.44 1n4r n SER 46 Ca 0.06 -2.03 0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1n4r n SER 46 Cb 0.03 -0.29 0.38 0.00 -0.26 0.00 0.00 64.21 64.07 1n4r n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n4r h ARG 47 N 1.92 0.14 -0.06 4.33 3.08 -1.21 -2.30 114.38 120.28 1n4r h ARG 47 Ca -0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1n4r h ARG 47 Cb 1.45 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1n4r h ARG 47 CO 0.11 0.37 -0.01 1.25 -1.07 0.00 0.00 179.97 180.61 1n4r h LEU 48 N 0.13 0.08 -0.28 3.04 5.85 -1.59 0.19 115.31 122.74 1n4r h LEU 48 Ca 0.02 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1n4r h LEU 48 Cb 0.49 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1n4r h LEU 48 CO 0.03 0.11 -0.60 0.71 -0.34 0.00 0.00 178.44 178.36 1n4r h THR 49 N 0.09 1.11 -0.11 1.05 1.35 -1.71 -1.72 112.91 112.95 1n4r h THR 49 Ca 0.02 -2.33 -0.18 0.00 -0.55 0.00 0.00 66.41 63.38 1n4r h THR 49 Cb 0.09 2.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1n4r h THR 49 CO 0.00 0.58 -0.67 0.40 -0.25 0.00 0.00 175.52 175.58 1n4r h ILE 50 N 0.00 1.35 -0.20 6.82 1.08 -1.11 -1.43 117.51 124.01 1n4r h ILE 50 Ca -0.01 -2.02 -0.01 0.00 -0.39 0.00 0.00 64.86 62.44 1n4r h ILE 50 Cb 1.34 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 37.08 1n4r h ILE 50 CO 0.08 0.61 0.11 0.00 -0.69 0.00 0.00 178.15 178.26 1n4r h ALA 51 N 0.94 0.26 -0.14 1.87 0.00 -0.83 -2.07 119.26 119.29 1n4r h ALA 51 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1n4r h ALA 51 Cb 1.24 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1n4r h ALA 51 CO 0.12 -0.19 -0.15 0.35 0.00 0.00 0.00 179.25 179.38 1n4r h PHE 52 N 0.21 -0.37 -0.93 0.00 3.57 -1.14 0.33 116.94 118.62 1n4r h PHE 52 Ca 0.07 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1n4r h PHE 52 Cb 0.09 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 1n4r h PHE 52 CO -0.03 -0.21 0.54 0.74 -2.23 0.00 0.00 178.31 177.11 1n4r h PHE 53 N -0.18 0.96 0.01 0.41 0.05 -1.05 0.15 116.94 117.30 1n4r h PHE 53 Ca 0.10 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.92 1n4r h PHE 53 Cb 0.31 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1n4r h PHE 53 CO -0.27 0.29 -0.01 0.00 -0.18 0.00 0.00 178.31 178.15 1n4r h ALA 54 N 1.56 -0.02 0.36 2.45 0.00 -0.63 -1.85 119.26 121.14 1n4r h ALA 54 Ca 0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n4r h ALA 54 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1n4r h ALA 54 CO -0.33 -0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 178.56 1n4r h LEU 55 N -0.79 -0.41 -1.83 0.00 3.38 -0.19 -0.11 115.31 115.36 1n4r h LEU 55 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n4r h LEU 55 Cb 0.74 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1n4r h LEU 55 CO 0.00 -0.17 0.11 -1.28 0.09 0.00 0.00 178.44 177.20 1n4r h SER 56 N -0.64 0.20 -0.13 -0.43 0.87 -0.87 0.10 113.55 112.66 1n4r h SER 56 Ca -0.05 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.36 1n4r h SER 56 Cb 0.46 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1n4r h SER 56 CO 0.08 0.14 -0.43 1.23 -0.53 0.00 0.00 176.83 177.33 1n4r h GLY 57 N 0.23 0.73 1.03 5.77 0.00 -1.00 -0.45 103.07 109.38 1n4r h GLY 57 Ca 0.06 -0.76 -0.15 0.00 0.00 0.00 0.00 47.33 46.49 1n4r h GLY 57 CO -0.01 0.68 -0.44 1.41 0.00 0.00 0.00 176.54 178.18 1n4r h LEU 58 N 0.54 0.82 -0.33 3.11 3.38 0.23 -2.56 115.31 120.51 1n4r h LEU 58 Ca 0.04 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1n4r h LEU 58 Cb 0.96 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1n4r h LEU 58 CO 0.09 1.19 0.03 -0.78 0.09 0.00 0.00 178.44 179.06 1n4r h ASP 59 N 0.48 -0.07 -0.08 -0.43 -0.00 -0.74 0.11 116.42 115.69 1n4r h ASP 59 Ca 0.02 0.07 0.02 0.00 -0.00 0.00 0.00 57.03 57.13 1n4r h ASP 59 Cb 1.04 0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 40.47 1n4r h ASP 59 CO 0.10 0.00 0.09 -0.03 -0.00 0.00 0.00 179.24 179.40 1n4r h MET 60 N 0.13 0.00 -0.59 0.28 4.05 -0.93 0.74 114.93 118.61 1n4r h MET 60 Ca 0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1n4r h MET 60 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1n4r h MET 60 CO -0.24 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.18 1n4r n LEU 61 N -3.77 3.60 -3.65 3.39 4.77 0.14 -1.41 117.00 120.09 1n4r n LEU 61 Ca -0.01 -1.97 -0.25 0.00 -0.03 0.00 0.00 56.01 53.75 1n4r n LEU 61 Cb 0.19 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1n4r n LEU 61 CO 0.27 0.89 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.48 1n4r n ASP 62 N 1.29 -3.64 -0.74 -1.43 2.03 0.25 -4.92 116.55 109.39 1n4r n ASP 62 Ca 0.20 -0.90 0.02 0.00 0.52 0.00 0.00 54.79 54.63 1n4r n ASP 62 Cb 0.56 -3.87 0.03 0.00 -0.72 0.00 0.00 41.12 37.12 1n4r n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4r n SER 63 N -2.92 0.55 0.00 1.67 7.64 -0.28 -4.85 113.62 115.42 1n4r n SER 63 Ca -0.18 -2.17 0.02 0.00 1.01 0.00 0.00 58.87 57.54 1n4r n SER 63 Cb 0.63 -0.26 0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1n4r n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n4r n LEU 64 N -0.04 0.00 0.19 -3.43 4.77 -1.26 -1.95 117.00 115.28 1n4r n LEU 64 Ca 0.04 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1n4r n LEU 64 Cb 0.82 -0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.84 1n4r n LEU 64 CO -0.01 -0.31 0.66 -2.24 -1.33 0.00 0.00 177.39 174.16 1n4r h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.16 116.42 111.91 1n4r h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n4r h ASP 65 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1n4r h ASP 65 CO 0.00 0.36 0.00 1.33 -1.03 0.00 0.00 179.24 179.90 1n4r n VAL 66 N -3.40 0.00 -4.25 4.15 0.24 -0.82 -4.76 118.33 109.49 1n4r n VAL 66 Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 1n4r n VAL 66 Cb 0.55 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 1n4r n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n4r s VAL 67 N -2.00 1.14 -1.04 3.34 -7.23 -1.19 -5.08 120.40 108.33 1n4r s VAL 67 Ca 0.01 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 1n4r s VAL 67 Cb 0.00 -1.84 0.18 0.00 0.56 0.00 0.00 36.38 35.28 1n4r s VAL 67 CO 0.00 -0.75 1.19 0.21 -0.31 0.00 0.00 175.10 175.44 1n4r s ASN 68 N -3.16 6.91 0.50 4.85 3.84 -1.26 -4.88 114.94 121.73 1n4r s ASN 68 Ca 0.16 -2.70 0.38 0.00 0.21 0.00 0.00 52.86 50.91 1n4r s ASN 68 Cb 0.03 -2.35 1.54 0.00 -0.55 0.00 0.00 41.25 39.92 1n4r s ASN 68 CO 0.00 -0.78 1.65 0.11 -2.79 0.00 0.00 177.10 175.29 1n4r h LYS 69 N 7.77 0.06 -0.17 0.43 1.57 -1.92 -0.46 116.57 123.85 1n4r h LYS 69 Ca 0.21 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1n4r h LYS 69 Cb 0.95 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1n4r h LYS 69 CO 1.10 0.04 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.99 1n4r h ASP 70 N 0.06 0.80 0.14 0.86 3.32 -1.92 -2.09 116.42 117.59 1n4r h ASP 70 Ca 0.80 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1n4r h ASP 70 Cb 2.87 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 42.19 1n4r h ASP 70 CO -0.20 1.27 -0.07 0.44 -1.72 0.00 0.00 179.24 178.96 1n4r h ASP 71 N 0.38 -0.16 -0.73 6.45 3.32 -1.51 -2.64 116.42 121.53 1n4r h ASP 71 Ca -0.03 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 56.92 1n4r h ASP 71 Cb 1.21 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1n4r h ASP 71 CO 0.12 0.08 0.48 0.40 -1.72 0.00 0.00 179.24 178.61 1n4r h ILE 72 N -0.40 1.01 -0.53 0.35 2.04 -1.56 -1.04 117.51 117.37 1n4r h ILE 72 Ca -0.02 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 1n4r h ILE 72 Cb 0.32 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1n4r h ILE 72 CO 0.03 0.14 0.04 0.40 0.00 0.00 0.00 178.15 178.75 1n4r h ILE 73 N 0.74 1.25 -0.48 -0.67 2.04 -1.22 -0.96 117.51 118.20 1n4r h ILE 73 Ca 0.32 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 1n4r h ILE 73 Cb 0.29 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1n4r h ILE 73 CO -0.11 0.36 -0.12 -0.33 0.00 0.00 0.00 178.15 177.95 1n4r h GLU 74 N 0.82 0.93 -0.16 2.37 4.39 -0.87 -1.56 114.58 120.50 1n4r h GLU 74 Ca 0.16 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.52 1n4r h GLU 74 Cb 0.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1n4r h GLU 74 CO 0.02 1.02 0.07 2.35 -1.16 0.00 0.00 179.01 181.30 1n4r h TRP 75 N 0.78 0.13 -0.59 4.33 7.01 -0.94 -1.68 115.95 124.99 1n4r h TRP 75 Ca 0.12 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1n4r h TRP 75 Cb 0.67 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 1n4r h TRP 75 CO 0.05 0.07 0.38 0.82 -2.79 0.00 0.00 178.44 176.97 1n4r h ILE 76 N 0.15 1.13 0.00 2.65 2.04 -1.03 -1.77 117.51 120.68 1n4r h ILE 76 Ca 0.07 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1n4r h ILE 76 Cb 0.02 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1n4r h ILE 76 CO -0.06 0.14 -0.04 1.88 0.00 0.00 0.00 178.15 180.07 1n4r h TYR 77 N 0.77 0.00 0.00 1.37 0.05 -0.94 -0.84 116.97 117.38 1n4r h TYR 77 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1n4r h TYR 77 Cb -0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1n4r h TYR 77 CO -0.04 0.04 0.00 -1.13 -1.05 0.00 0.00 178.16 175.98 1n4r n SER 78 N -3.25 0.52 -0.42 3.88 3.41 -0.66 -2.49 113.62 114.60 1n4r n SER 78 Ca -0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1n4r n SER 78 Cb 0.22 -0.71 0.33 0.00 -0.26 0.00 0.00 64.21 63.79 1n4r n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4r n LEU 79 N -2.03 1.50 -4.71 1.04 4.77 -0.32 -4.60 117.00 112.65 1n4r n LEU 79 Ca 0.04 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1n4r n LEU 79 Cb 0.30 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1n4r n LEU 79 CO 0.23 0.27 0.67 -1.58 -1.33 0.00 0.00 177.39 175.65 1n4r s GLN 80 N -2.32 4.59 -0.66 3.23 0.74 -1.05 -0.13 119.66 124.07 1n4r s GLN 80 Ca 0.27 1.42 -0.21 0.00 0.05 0.00 0.00 55.36 56.90 1n4r s GLN 80 Cb 0.20 -3.44 0.09 0.00 1.10 0.00 0.00 33.01 30.96 1n4r s GLN 80 CO 0.46 0.01 0.87 0.08 -0.55 0.00 0.00 175.29 176.16 1n4r s VAL 81 N 0.77 4.58 0.43 1.34 1.01 0.87 -4.89 120.40 124.52 1n4r s VAL 81 Ca 0.51 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1n4r s VAL 81 Cb -0.21 -4.61 -0.07 0.00 0.00 0.00 0.00 36.38 31.49 1n4r s VAL 81 CO 0.28 -1.32 0.81 -0.76 0.00 0.00 0.00 175.10 174.11 1n4r s LEU 82 N 3.33 3.78 0.60 3.92 1.43 -1.26 -3.12 118.68 127.35 1n4r s LEU 82 Ca 0.18 1.21 -0.17 0.00 -1.03 0.00 0.00 54.13 54.33 1n4r s LEU 82 Cb -0.19 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1n4r s LEU 82 CO 0.07 -0.44 1.10 -2.16 0.23 0.00 0.00 176.35 175.15 1n4r s PRO 83 N -3.91 3.15 0.76 1.29 0.04 -1.26 -4.50 135.00 130.56 1n4r s PRO 83 Ca 0.53 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1n4r s PRO 83 Cb -0.10 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1n4r s PRO 83 CO 0.32 -0.98 1.11 0.95 0.04 0.00 0.00 177.00 178.43 1n4r s THR 84 N -2.14 2.15 0.19 1.26 -4.23 -1.26 -3.25 115.64 108.36 1n4r s THR 84 Ca 0.68 -0.11 -0.21 0.00 -1.18 0.00 0.00 61.69 60.88 1n4r s THR 84 Cb -0.21 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.74 1n4r s THR 84 CO 0.34 -0.01 1.58 1.05 -0.54 0.00 0.00 174.62 177.04 1n4r h GLU 85 N -0.85 -0.15 -0.07 3.99 9.09 -1.96 0.40 114.58 125.02 1n4r h GLU 85 Ca -0.45 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1n4r h GLU 85 Cb 1.32 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1n4r h GLU 85 CO 0.64 -0.10 0.00 -0.40 0.05 0.00 0.00 179.01 179.19 1n4r n ASP 86 N -5.43 0.07 -3.70 3.06 3.85 -1.26 -4.87 116.55 108.27 1n4r n ASP 86 Ca 0.04 -1.67 -0.25 0.00 -0.71 0.00 0.00 54.79 52.20 1n4r n ASP 86 Cb 0.36 -0.04 -0.04 0.00 -1.35 0.00 0.00 41.12 40.05 1n4r n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4r n ARG 87 N -0.45 -1.77 0.00 0.11 1.74 0.14 -4.79 116.66 111.64 1n4r n ARG 87 Ca 0.00 0.11 0.14 0.00 -0.77 0.00 0.00 57.85 57.33 1n4r n ARG 87 Cb 0.02 -4.67 0.49 0.00 -1.02 0.00 0.00 32.46 27.28 1n4r n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4r n SER 88 N -2.09 1.31 -0.89 0.55 3.41 -1.26 -4.06 113.62 110.58 1n4r n SER 88 Ca 0.07 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1n4r n SER 88 Cb 0.48 0.04 0.17 0.00 -0.26 0.00 0.00 64.21 64.63 1n4r n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n4r n ASN 89 N -0.12 2.28 -0.28 4.04 6.94 -1.26 -4.80 115.26 122.06 1n4r n ASN 89 Ca 0.17 -3.83 -0.02 0.00 -0.02 0.00 0.00 54.58 50.89 1n4r n ASN 89 Cb 0.35 -0.49 0.16 0.00 -2.36 0.00 0.00 39.78 37.44 1n4r n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1n4r h LEU 90 N 1.22 1.01 0.00 -4.53 3.38 -1.96 -2.00 115.31 112.43 1n4r h LEU 90 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n4r h LEU 90 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n4r h LEU 90 CO 0.14 0.77 0.00 0.47 0.09 0.00 0.00 178.44 179.92 1n4r n ASP 91 N -4.37 0.00 -0.02 -0.43 8.00 -1.26 -2.32 116.55 116.15 1n4r n ASP 91 Ca 0.09 -0.27 0.02 0.00 0.71 0.00 0.00 54.79 55.34 1n4r n ASP 91 Cb 0.06 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1n4r n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4r n ARG 92 N -1.05 2.51 -2.65 -1.24 1.74 -0.75 -4.65 116.66 110.57 1n4r n ARG 92 Ca 0.08 -1.67 -0.30 0.00 -0.77 0.00 0.00 57.85 55.19 1n4r n ARG 92 Cb 0.05 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1n4r n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4r n GLY 94 N -1.65 0.02 3.34 0.00 0.00 -1.18 -4.45 105.19 101.27 1n4r n GLY 94 Ca 0.03 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1n4r n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4r s PHE 95 N -4.00 1.92 0.30 1.61 0.40 -1.26 -0.09 117.98 116.86 1n4r s PHE 95 Ca 0.00 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1n4r s PHE 95 Cb 0.00 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1n4r s PHE 95 CO 0.00 0.33 0.50 1.03 0.70 0.00 0.00 175.22 177.79 1n4r s ARG 96 N -2.55 3.51 0.27 0.44 0.52 0.82 -0.92 118.95 121.02 1n4r s ARG 96 Ca 0.15 -0.32 0.13 0.00 -0.52 0.00 0.00 55.73 55.17 1n4r s ARG 96 Cb -0.07 -2.71 0.23 0.00 0.52 0.00 0.00 34.95 32.92 1n4r s ARG 96 CO 0.07 0.23 1.52 0.78 0.02 0.00 0.00 175.30 177.91 1n4r h GLY 97 N 1.16 0.00 -0.31 -3.53 0.00 -1.89 -3.46 103.07 95.05 1n4r h GLY 97 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1n4r h GLY 97 CO 0.63 0.00 0.13 -1.14 0.00 0.00 0.00 176.54 176.17 1n4r n SER 98 N -3.44 -0.35 -1.76 0.19 3.41 -1.26 -1.51 113.62 108.91 1n4r n SER 98 Ca 0.00 -1.17 -0.02 0.00 -0.26 0.00 0.00 58.87 57.42 1n4r n SER 98 Cb 0.70 0.56 0.28 0.00 -0.26 0.00 0.00 64.21 65.49 1n4r n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4r n SER 99 N -0.67 4.50 0.32 4.04 3.41 -1.26 -4.62 113.62 119.33 1n4r n SER 99 Ca -0.00 -2.93 0.17 0.00 -0.26 0.00 0.00 58.87 55.85 1n4r n SER 99 Cb 0.12 -0.69 0.91 0.00 -0.26 0.00 0.00 64.21 64.29 1n4r n SER 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1n4r h TYR 100 N 2.52 0.00 0.00 7.33 -0.00 -1.96 -1.32 116.97 123.55 1n4r h TYR 100 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.89 1n4r h TYR 100 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.70 1n4r h TYR 100 CO 1.03 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.47 1n4r n LEU 101 N -3.03 0.56 -0.06 0.10 4.77 -1.26 -4.93 117.00 113.15 1n4r n LEU 101 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1n4r n LEU 101 Cb 0.31 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1n4r n LEU 101 CO 0.16 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1n4r n GLY 102 N 1.03 0.64 3.75 -0.72 0.00 -0.50 -5.04 105.19 104.35 1n4r n GLY 102 Ca 0.05 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1n4r n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4r s ILE 103 N -2.12 4.93 0.06 -0.61 1.01 -1.26 -5.00 121.20 118.22 1n4r s ILE 103 Ca 0.00 1.33 -0.36 0.00 0.00 0.00 0.00 60.65 61.62 1n4r s ILE 103 Cb 0.00 -3.98 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 1n4r s ILE 103 CO 0.00 0.36 1.52 -0.81 0.00 0.00 0.00 174.94 176.02 1n4r n PRO 104 N 3.05 1.64 -1.46 2.79 -0.04 -1.26 -4.80 135.00 134.91 1n4r n PRO 104 Ca -0.05 0.59 -0.53 0.00 -0.04 0.00 0.00 63.50 63.47 1n4r n PRO 104 Cb 0.51 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.58 1n4r n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n4r n PHE 105 N 3.55 1.62 -3.48 0.54 7.35 -1.26 -4.92 117.46 120.86 1n4r n PHE 105 Ca 0.19 0.39 -0.27 0.00 -0.76 0.00 0.00 57.45 57.00 1n4r n PHE 105 Cb 0.23 -2.49 -0.13 0.00 0.35 0.00 0.00 39.48 37.45 1n4r n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n4r s ASN 106 N 6.47 2.92 -0.59 -2.13 2.47 -1.26 -5.06 114.94 117.77 1n4r s ASN 106 Ca 1.09 -1.65 -0.26 0.00 0.42 0.00 0.00 52.86 52.46 1n4r s ASN 106 Cb -0.99 -0.21 -0.24 0.00 -1.45 0.00 0.00 41.25 38.35 1n4r s ASN 106 CO 0.54 -0.36 1.83 -0.81 -3.72 0.00 0.00 177.10 174.58 1n4r n PRO 107 N 4.65 0.76 -4.32 0.43 -0.04 -1.26 -4.22 135.00 130.99 1n4r n PRO 107 Ca 0.04 -1.60 -0.34 0.00 -0.04 0.00 0.00 63.50 61.56 1n4r n PRO 107 Cb 0.40 -3.03 -0.08 0.00 -0.04 0.00 0.00 33.50 30.76 1n4r n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n4r n SER 108 N 10.83 -0.21 0.00 3.54 7.64 -1.04 -4.77 113.62 129.61 1n4r n SER 108 Ca 0.47 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1n4r n SER 108 Cb 0.43 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1n4r n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4r n LYS 109 N -4.42 0.00 -0.40 1.43 5.02 -1.26 -5.04 118.16 113.48 1n4r n LYS 109 Ca -0.19 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.84 1n4r n LYS 109 Cb 0.62 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.86 1n4r n LYS 109 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1n4r n ASN 110 N 0.00 -3.29 -3.70 4.39 2.04 -1.26 -5.02 115.26 108.43 1n4r n ASN 110 Ca 0.00 -0.54 0.00 0.00 -0.44 0.00 0.00 54.58 53.60 1n4r n ASN 110 Cb 0.00 -0.96 0.00 0.00 -2.53 0.00 0.00 39.78 36.29 1n4r n ASN 110 CO 0.00 0.00 0.00 0.09 -0.44 0.00 0.00 177.26 176.91 1n4r n PRO 111 N -4.00 2.15 -4.09 -0.53 -0.07 -1.26 -4.99 135.00 122.21 1n4r n PRO 111 Ca 0.08 0.00 -0.34 0.00 -0.07 0.00 0.00 63.50 63.17 1n4r n PRO 111 Cb 0.51 0.00 -0.10 0.00 -0.07 0.00 0.00 33.50 33.84 1n4r n PRO 111 CO 0.00 0.00 0.00 0.20 -0.07 0.00 0.00 175.50 175.63 1n4r s GLY 112 N -0.12 1.85 -0.77 1.68 0.00 -1.20 -4.92 107.32 103.84 1n4r s GLY 112 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 44.72 43.71 1n4r s GLY 112 CO 0.00 0.05 1.13 -1.08 0.00 0.00 0.00 173.10 173.20 1n4r s THR 113 N 0.43 4.20 0.15 0.90 -1.32 -1.26 -4.64 115.64 114.10 1n4r s THR 113 Ca 0.01 -0.46 -0.32 0.00 -1.21 0.00 0.00 61.69 59.72 1n4r s THR 113 Cb -0.13 -4.81 -0.17 0.00 -1.51 0.00 0.00 72.50 65.88 1n4r s THR 113 CO 0.01 -1.62 0.78 0.00 -2.21 0.00 0.00 174.62 171.58 1n4r n ALA 114 N 8.04 -2.65 -3.68 11.08 0.00 -1.26 -5.00 120.51 127.05 1n4r n ALA 114 Ca 0.08 0.48 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1n4r n ALA 114 Cb 0.48 -1.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1n4r n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1n4r s HIS 115 N -0.63 -0.72 0.41 0.00 2.46 -1.26 -5.07 115.29 110.49 1n4r s HIS 115 Ca 0.72 1.46 0.24 0.00 0.47 0.00 0.00 55.06 57.95 1n4r s HIS 115 Cb -1.00 0.33 1.27 0.00 -0.13 0.00 0.00 32.58 33.06 1n4r s HIS 115 CO 0.56 -0.40 1.68 -1.35 -2.47 0.00 0.00 174.74 172.76 1n4r h PRO 116 N 7.39 0.21 0.00 2.88 0.11 -2.05 -2.83 132.00 137.71 1n4r h PRO 116 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1n4r h PRO 116 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1n4r h PRO 116 CO 0.23 0.14 -0.05 0.66 -0.21 0.00 0.00 178.00 178.77 1n4r n TYR 117 N -4.71 0.00 -3.26 0.65 4.01 -1.26 -5.02 117.16 107.56 1n4r n TYR 117 Ca 0.32 -0.62 -0.39 0.00 -0.16 0.00 0.00 57.90 57.05 1n4r n TYR 117 Cb 1.18 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 40.05 1n4r n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4r s ASP 118 N -1.72 6.52 0.16 7.72 2.15 -1.07 -5.03 116.67 125.40 1n4r s ASP 118 Ca 0.14 0.62 -0.24 0.00 0.43 0.00 0.00 52.55 53.50 1n4r s ASP 118 Cb 0.12 -2.28 0.06 0.00 -0.30 0.00 0.00 42.92 40.52 1n4r s ASP 118 CO 0.01 -0.19 0.82 -0.94 -0.17 0.00 0.00 175.17 174.70 1n4r s SER 119 N 1.23 -0.29 0.89 -0.34 1.04 -1.26 -4.88 113.70 110.08 1n4r s SER 119 Ca 0.23 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1n4r s SER 119 Cb -0.15 0.56 0.12 0.00 0.10 0.00 0.00 66.02 66.65 1n4r s SER 119 CO 0.09 -0.99 1.15 -0.83 0.98 0.00 0.00 173.24 173.64 1n4r s GLY 120 N -2.83 1.58 -0.09 7.32 0.00 -0.57 -4.70 107.32 108.04 1n4r s GLY 120 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1n4r s GLY 120 CO -0.01 -0.03 -0.06 -1.58 0.00 0.00 0.00 173.10 171.42 1n4r s HIS 121 N -3.37 1.20 0.35 1.90 5.04 -0.10 -4.58 115.29 115.73 1n4r s HIS 121 Ca 0.63 -0.51 0.14 0.00 -1.54 0.00 0.00 55.06 53.78 1n4r s HIS 121 Cb -0.14 -1.04 1.01 0.00 0.04 0.00 0.00 32.58 32.46 1n4r s HIS 121 CO 0.52 -0.39 1.72 0.97 -2.34 0.00 0.00 174.74 175.22 1n4r h ILE 122 N 6.17 0.47 0.00 0.89 2.10 -1.07 0.43 117.51 126.50 1n4r h ILE 122 Ca -0.29 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.46 1n4r h ILE 122 Cb 1.14 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1n4r h ILE 122 CO 0.40 0.08 -0.17 0.00 -1.08 0.00 0.00 178.15 177.38 1n4r h ALA 123 N 1.72 0.97 0.10 0.18 0.00 -1.95 -2.16 119.26 118.13 1n4r h ALA 123 Ca 0.66 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 55.12 1n4r h ALA 123 Cb 1.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1n4r h ALA 123 CO -0.45 0.21 -1.55 0.52 0.00 0.00 0.00 179.25 177.97 1n4r h MET 124 N 0.00 0.20 -0.72 0.00 2.86 -0.51 -2.11 114.93 114.66 1n4r h MET 124 Ca -0.00 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 1n4r h MET 124 Cb 0.80 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1n4r h MET 124 CO 0.02 1.04 0.22 1.15 1.06 0.00 0.00 176.91 180.39 1n4r h THR 125 N 0.06 1.26 0.72 2.22 2.02 -0.91 0.37 112.91 118.65 1n4r h THR 125 Ca -0.25 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 1n4r h THR 125 Cb 2.00 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1n4r h THR 125 CO 0.14 0.36 -0.35 0.22 0.37 0.00 0.00 175.52 176.26 1n4r h TYR 126 N 1.06 -0.90 0.00 3.16 3.20 -1.44 -1.83 116.97 120.22 1n4r h TYR 126 Ca 0.23 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1n4r h TYR 126 Cb 0.32 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1n4r h TYR 126 CO 0.03 -0.56 -0.10 1.79 -1.64 0.00 0.00 178.16 177.68 1n4r h THR 127 N -1.18 0.73 0.50 1.81 1.35 -1.36 -0.54 112.91 114.22 1n4r h THR 127 Ca -0.10 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1n4r h THR 127 Cb 0.74 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1n4r h THR 127 CO 0.16 0.09 -0.24 1.23 -0.25 0.00 0.00 175.52 176.52 1n4r h GLY 128 N 0.48 -0.70 0.67 5.82 0.00 -0.21 0.43 103.07 109.57 1n4r h GLY 128 Ca -0.00 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1n4r h GLY 128 CO 0.01 -0.25 0.31 1.41 0.00 0.00 0.00 176.54 178.02 1n4r h LEU 129 N -1.03 0.45 -0.72 3.11 3.38 -1.17 -0.70 115.31 118.63 1n4r h LEU 129 Ca -0.07 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1n4r h LEU 129 Cb 0.60 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1n4r h LEU 129 CO 0.11 0.29 0.40 -1.28 0.09 0.00 0.00 178.44 178.06 1n4r h SER 130 N 0.59 0.58 -0.43 -0.43 0.87 -1.08 -1.53 113.55 112.12 1n4r h SER 130 Ca 0.27 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1n4r h SER 130 Cb 0.18 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1n4r h SER 130 CO -0.18 0.36 -0.04 0.00 -0.53 0.00 0.00 176.83 176.44 1n4r h LEU 132 N 0.61 0.14 -0.72 0.00 3.38 -0.59 -0.31 115.31 117.83 1n4r h LEU 132 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1n4r h LEU 132 Cb 0.55 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1n4r h LEU 132 CO 0.03 0.11 0.42 0.40 0.09 0.00 0.00 178.44 179.49 1n4r h ILE 133 N 0.29 1.21 -0.65 1.22 2.04 -1.21 -1.76 117.51 118.65 1n4r h ILE 133 Ca 0.17 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1n4r h ILE 133 Cb 0.16 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1n4r h ILE 133 CO -0.18 0.23 0.31 0.40 0.00 0.00 0.00 178.15 178.91 1n4r h ILE 134 N 0.99 1.21 0.00 -0.67 2.04 -0.79 -1.99 117.51 118.30 1n4r h ILE 134 Ca 0.26 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n4r h ILE 134 Cb -0.00 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1n4r h ILE 134 CO -0.04 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1n4r n LEU 135 N -4.35 0.00 0.00 1.44 4.77 -0.19 -4.90 117.00 113.77 1n4r n LEU 135 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1n4r n LEU 135 Cb 0.13 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1n4r n LEU 135 CO 0.38 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1n4r n GLY 136 N 1.06 0.55 3.59 -0.72 0.00 -0.75 -4.95 105.19 103.97 1n4r n GLY 136 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1n4r n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n4r n ASP 137 N 0.00 -0.13 -1.05 1.61 -0.08 -0.72 -4.93 116.55 111.26 1n4r n ASP 137 Ca 0.00 0.52 0.09 0.00 -1.51 0.00 0.00 54.79 53.88 1n4r n ASP 137 Cb 0.00 -1.39 0.25 0.00 2.34 0.00 0.00 41.12 42.32 1n4r n ASP 137 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1n4r n ASP 138 N -2.39 3.55 -1.44 1.67 5.68 -1.26 -4.49 116.55 117.87 1n4r n ASP 138 Ca 0.11 -2.04 -0.19 0.00 -0.50 0.00 0.00 54.79 52.18 1n4r n ASP 138 Cb 0.51 -0.38 -0.08 0.00 -1.14 0.00 0.00 41.12 40.03 1n4r n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n4r n LEU 139 N 1.10 -1.35 0.16 -2.12 4.32 -1.26 -4.86 117.00 112.99 1n4r n LEU 139 Ca 0.19 0.46 0.01 0.00 -0.02 0.00 0.00 56.01 56.66 1n4r n LEU 139 Cb 0.55 -2.66 0.31 0.00 -1.62 0.00 0.00 43.42 40.01 1n4r n LEU 139 CO 0.13 -1.00 0.68 0.77 -1.22 0.00 0.00 177.39 176.76 1n4r h SER 140 N 0.00 0.04 -0.07 -1.43 4.64 -2.02 -2.61 113.55 112.10 1n4r h SER 140 Ca -0.38 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1n4r h SER 140 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1n4r h SER 140 CO 0.56 0.45 0.00 0.54 -0.87 0.00 0.00 176.83 177.51 1n4r n ARG 141 N -4.05 1.47 -3.02 4.77 1.74 -1.26 -4.80 116.66 111.51 1n4r n ARG 141 Ca -0.02 -0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 55.95 1n4r n ARG 141 Cb 0.45 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1n4r n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4r s VAL 142 N -1.92 4.94 -1.26 1.55 1.01 -0.99 -4.96 120.40 118.78 1n4r s VAL 142 Ca 0.35 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 1n4r s VAL 142 Cb 0.18 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1n4r s VAL 142 CO 0.29 0.01 1.79 -0.62 0.00 0.00 0.00 175.10 176.57 1n4r s ASP 143 N 1.35 6.29 0.26 3.32 -1.08 -1.26 -4.79 116.67 120.76 1n4r s ASP 143 Ca 0.30 -2.19 -0.02 0.00 -0.52 0.00 0.00 52.55 50.13 1n4r s ASP 143 Cb -0.16 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.30 1n4r s ASP 143 CO 0.09 -1.75 1.67 0.11 0.52 0.00 0.00 175.17 175.81 1n4r h LYS 144 N 8.27 0.25 -0.45 4.34 1.57 -1.92 -0.97 116.57 127.66 1n4r h LYS 144 Ca 0.37 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1n4r h LYS 144 Cb 0.89 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1n4r h LYS 144 CO 1.39 0.16 -0.02 0.93 -0.57 0.00 0.00 179.45 181.34 1n4r h GLU 145 N 0.26 0.74 -0.27 3.15 4.39 -1.99 -1.78 114.58 119.07 1n4r h GLU 145 Ca 0.48 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 1n4r h GLU 145 Cb 0.88 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1n4r h GLU 145 CO -0.57 0.77 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 1n4r h ALA 146 N 1.28 0.37 -0.29 3.43 0.00 -1.59 -0.52 119.26 121.95 1n4r h ALA 146 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1n4r h ALA 146 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1n4r h ALA 146 CO 0.02 0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.55 1n4r h LEU 148 N 0.36 0.94 -0.53 0.00 3.38 -1.23 0.15 115.31 118.39 1n4r h LEU 148 Ca 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n4r h LEU 148 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1n4r h LEU 148 CO -0.04 0.77 0.24 0.00 0.09 0.00 0.00 178.44 179.51 1n4r h ALA 149 N 1.38 0.68 -0.61 1.53 0.00 -0.51 -1.37 119.26 120.36 1n4r h ALA 149 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n4r h ALA 149 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1n4r h ALA 149 CO -0.04 0.26 0.24 0.78 0.00 0.00 0.00 179.25 180.49 1n4r h GLY 150 N 0.71 0.99 0.74 0.00 0.00 -0.03 -2.66 103.07 102.83 1n4r h GLY 150 Ca 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1n4r h GLY 150 CO -0.02 0.51 -0.17 -2.00 0.00 0.00 0.00 176.54 174.87 1n4r h LEU 151 N 0.86 -0.45 -0.89 3.11 6.46 -0.32 -2.31 115.31 121.76 1n4r h LEU 151 Ca 0.20 0.05 0.16 0.00 -0.12 0.00 0.00 57.88 58.18 1n4r h LEU 151 Cb 0.21 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.21 1n4r h LEU 151 CO -0.02 -0.24 0.47 0.03 -0.62 0.00 0.00 178.44 178.06 1n4r h ARG 152 N -0.34 0.62 0.00 1.25 3.08 -0.99 0.13 114.38 118.13 1n4r h ARG 152 Ca 0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n4r h ARG 152 Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1n4r h ARG 152 CO -0.08 0.41 -0.01 0.00 -1.07 0.00 0.00 179.97 179.23 1n4r h ALA 153 N 1.59 1.21 0.00 0.04 0.00 -1.06 -2.55 119.26 118.49 1n4r h ALA 153 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1n4r h ALA 153 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n4r h ALA 153 CO -0.38 0.01 -0.45 -0.07 0.00 0.00 0.00 179.25 178.35 1n4r h LEU 154 N 0.00 0.00 -9.66 0.00 3.38 -0.56 -3.47 115.31 104.99 1n4r h LEU 154 Ca -0.00 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 1n4r h LEU 154 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1n4r h LEU 154 CO 0.00 0.02 0.48 -1.58 0.09 0.00 0.00 178.44 177.45 1n4r s GLN 155 N -3.24 4.59 0.64 1.13 0.74 -0.96 -1.80 119.66 120.75 1n4r s GLN 155 Ca 0.05 1.74 0.02 0.00 0.05 0.00 0.00 55.36 57.21 1n4r s GLN 155 Cb 0.09 -3.27 0.09 0.00 1.10 0.00 0.00 33.01 31.02 1n4r s GLN 155 CO 0.71 0.07 0.88 -0.51 -0.55 0.00 0.00 175.29 175.89 1n4r s LEU 156 N -0.41 3.11 0.25 3.68 1.43 0.60 -4.98 118.68 122.36 1n4r s LEU 156 Ca 0.49 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1n4r s LEU 156 Cb -0.30 -2.24 0.30 0.00 0.03 0.00 0.00 46.19 43.98 1n4r s LEU 156 CO 0.35 -1.53 1.90 1.05 0.23 0.00 0.00 176.35 178.36 1n4r h GLU 157 N -0.21 1.21 0.00 1.70 4.11 -1.96 -1.54 114.58 117.89 1n4r h GLU 157 Ca -0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1n4r h GLU 157 Cb 1.28 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1n4r h GLU 157 CO 0.44 0.80 0.00 -0.40 0.07 0.00 0.00 179.01 179.92 1n4r n ASP 158 N -4.45 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.88 1n4r n ASP 158 Ca 0.12 -0.87 0.00 0.00 -0.71 0.00 0.00 54.79 53.33 1n4r n ASP 158 Cb 0.07 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1n4r n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n4r n GLY 159 N 0.36 2.74 3.58 6.12 0.00 -0.58 -4.06 105.19 113.35 1n4r n GLY 159 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1n4r n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4r n SER 160 N 0.00 0.12 -4.31 1.61 3.41 -1.26 -4.01 113.62 109.17 1n4r n SER 160 Ca 0.00 -1.46 -0.17 0.00 -0.26 0.00 0.00 58.87 56.98 1n4r n SER 160 Cb 0.00 -0.94 -0.10 0.00 -0.26 0.00 0.00 64.21 62.91 1n4r n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n4r s PHE 161 N -3.68 1.55 0.43 7.33 0.40 -1.26 -0.29 117.98 122.46 1n4r s PHE 161 Ca 0.70 -0.66 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1n4r s PHE 161 Cb -0.02 -0.75 -0.00 0.00 0.51 0.00 0.00 43.02 42.75 1n4r s PHE 161 CO 0.49 0.24 0.45 0.00 0.70 0.00 0.00 175.22 177.10 1n4r n ALA 163 N -1.68 1.30 -2.87 0.00 0.00 -1.26 -4.76 120.51 111.24 1n4r n ALA 163 Ca 0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1n4r n ALA 163 Cb 0.61 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.29 1n4r n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n4r s VAL 164 N -2.57 0.45 0.52 0.00 -7.23 -1.26 -0.48 120.40 109.84 1n4r s VAL 164 Ca -0.13 -0.96 0.18 0.00 -1.81 0.00 0.00 61.98 59.26 1n4r s VAL 164 Cb 0.07 -0.52 0.30 0.00 0.56 0.00 0.00 36.38 36.79 1n4r s VAL 164 CO 0.79 -0.35 2.12 1.55 -0.31 0.00 0.00 175.10 178.90 1n4r h PRO 165 N 4.68 0.00 0.00 4.82 0.13 -1.86 -1.15 132.00 138.63 1n4r h PRO 165 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1n4r h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4r h PRO 165 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1n4r n GLU 166 N -4.48 0.12 0.00 0.86 4.71 -1.26 -4.94 120.64 115.65 1n4r n GLU 166 Ca -0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1n4r n GLU 166 Cb 0.20 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 1n4r n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n4r n GLY 167 N -0.43 3.00 3.66 0.62 0.00 -0.44 -5.17 105.19 106.44 1n4r n GLY 167 Ca 0.01 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1n4r n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4r n SER 168 N 0.00 -1.15 -4.77 1.61 3.41 -1.26 -4.69 113.62 106.77 1n4r n SER 168 Ca 0.00 -1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 57.02 1n4r n SER 168 Cb 0.00 1.79 0.09 0.00 -0.26 0.00 0.00 64.21 65.83 1n4r n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4r s GLU 169 N -2.02 2.15 -0.04 4.33 1.03 -1.26 -4.85 118.70 118.04 1n4r s GLU 169 Ca 0.27 1.04 0.02 0.00 0.03 0.00 0.00 54.97 56.33 1n4r s GLU 169 Cb -0.01 -1.89 0.01 0.00 -0.80 0.00 0.00 34.13 31.44 1n4r s GLU 169 CO -0.00 -1.68 -0.07 0.54 -1.33 0.00 0.00 175.26 172.71 1n4r s ASN 170 N -3.49 1.15 0.15 0.83 4.22 -1.26 -4.24 114.94 112.31 1n4r s ASN 170 Ca 0.61 -0.18 -0.09 0.00 -2.14 0.00 0.00 52.86 51.06 1n4r s ASN 170 Cb -0.17 -0.46 0.03 0.00 1.28 0.00 0.00 41.25 41.94 1n4r s ASN 170 CO 0.56 0.01 0.45 -0.90 -2.04 0.00 0.00 177.10 175.18 1n4r n ASP 171 N 3.69 -1.01 -0.11 3.54 5.68 -1.22 -4.94 116.55 122.19 1n4r n ASP 171 Ca -0.22 -1.63 0.17 0.00 -0.50 0.00 0.00 54.79 52.60 1n4r n ASP 171 Cb 0.52 1.67 0.56 0.00 -1.14 0.00 0.00 41.12 42.73 1n4r n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1n4r h MET 172 N 0.00 0.29 -0.59 0.11 1.85 -1.74 -2.27 114.93 112.57 1n4r h MET 172 Ca -0.15 -0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.02 1n4r h MET 172 Cb 0.61 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.50 1n4r h MET 172 CO 0.20 0.19 0.19 0.00 -0.40 0.00 0.00 176.91 177.09 1n4r h ARG 173 N 0.30 0.34 0.00 0.39 3.08 -1.94 -1.31 114.38 115.23 1n4r h ARG 173 Ca 0.33 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1n4r h ARG 173 Cb 0.87 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1n4r h ARG 173 CO -0.08 0.23 -0.04 0.74 -1.07 0.00 0.00 179.97 179.74 1n4r h PHE 174 N 0.35 0.00 -0.44 3.04 0.05 -1.71 -2.62 116.94 115.61 1n4r h PHE 174 Ca 0.30 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.96 1n4r h PHE 174 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 1n4r h PHE 174 CO -0.19 0.04 -0.25 0.28 -0.18 0.00 0.00 178.31 178.01 1n4r h VAL 175 N 0.00 1.27 -0.59 -0.55 2.07 -1.19 -1.09 116.25 116.18 1n4r h VAL 175 Ca -0.00 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1n4r h VAL 175 Cb 0.90 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1n4r h VAL 175 CO 0.01 0.48 0.04 0.22 0.02 0.00 0.00 177.57 178.34 1n4r h TYR 176 N 0.80 1.07 -0.39 1.57 3.20 -1.16 -1.20 116.97 120.85 1n4r h TYR 176 Ca 0.09 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1n4r h TYR 176 Cb 0.83 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1n4r h TYR 176 CO 0.06 0.93 0.13 0.00 -1.64 0.00 0.00 178.16 177.64 1n4r h ALA 178 N 0.98 0.42 -0.45 0.00 0.00 -0.98 -1.15 119.26 118.08 1n4r h ALA 178 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1n4r h ALA 178 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1n4r h ALA 178 CO -0.01 -0.13 0.23 0.77 0.00 0.00 0.00 179.25 180.11 1n4r h SER 179 N 0.43 0.33 -0.81 0.00 0.02 -0.97 -1.21 113.55 111.35 1n4r h SER 179 Ca 0.13 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1n4r h SER 179 Cb -0.03 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1n4r h SER 179 CO -0.04 0.24 0.33 0.00 -1.14 0.00 0.00 176.83 176.22 1n4r h ILE 181 N 1.17 1.15 -0.93 0.00 2.04 -0.77 -0.36 117.51 119.82 1n4r h ILE 181 Ca 0.27 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1n4r h ILE 181 Cb 0.20 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1n4r h ILE 181 CO -0.02 0.12 0.61 0.00 0.00 0.00 0.00 178.15 178.86 1n4r h TYR 183 N 1.22 0.11 -0.55 0.00 3.20 -0.95 0.03 116.97 120.02 1n4r h TYR 183 Ca 0.36 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.12 1n4r h TYR 183 Cb -0.07 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1n4r h TYR 183 CO -0.01 0.23 -0.03 0.52 -1.64 0.00 0.00 178.16 177.23 1n4r h MET 184 N -0.05 0.98 -0.04 1.82 2.86 -0.78 -0.87 114.93 118.86 1n4r h MET 184 Ca 0.02 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1n4r h MET 184 Cb 0.17 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1n4r h MET 184 CO -0.00 0.99 0.00 1.28 1.06 0.00 0.00 176.91 180.23 1n4r n LEU 185 N -4.17 0.43 -4.16 1.22 4.77 -0.30 -4.90 117.00 109.89 1n4r n LEU 185 Ca 0.02 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 1n4r n LEU 185 Cb 0.35 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1n4r n LEU 185 CO 0.44 0.09 -0.36 -3.20 -1.33 0.00 0.00 177.39 173.03 1n4r n ASN 186 N -0.52 0.25 -3.44 -1.43 5.15 -0.23 -4.94 115.26 110.11 1n4r n ASN 186 Ca 0.15 -1.15 -0.01 0.00 -0.60 0.00 0.00 54.58 52.97 1n4r n ASN 186 Cb 0.14 -2.26 -0.04 0.00 -0.53 0.00 0.00 39.78 37.08 1n4r n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1n4r s ASN 187 N -4.33 -0.93 -0.13 1.20 3.84 -0.17 -5.02 114.94 109.39 1n4r s ASN 187 Ca 0.03 1.08 0.09 0.00 0.21 0.00 0.00 52.86 54.28 1n4r s ASN 187 Cb -0.02 1.97 0.50 0.00 -0.55 0.00 0.00 41.25 43.15 1n4r s ASN 187 CO 0.95 -0.25 1.29 0.79 -2.79 0.00 0.00 177.10 177.09 1n4r n TRP 188 N 5.42 1.21 0.82 0.43 7.02 -1.26 -4.03 117.44 127.05 1n4r n TRP 188 Ca -0.07 -0.43 0.10 0.00 -1.02 0.00 0.00 57.50 56.08 1n4r n TRP 188 Cb 0.50 -0.31 0.46 0.00 -2.42 0.00 0.00 31.31 29.54 1n4r n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1n4r n SER 189 N 0.45 0.00 0.06 -0.99 3.41 -1.26 -2.63 113.62 112.66 1n4r n SER 189 Ca 0.17 0.20 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 1n4r n SER 189 Cb 0.78 -0.37 0.42 0.00 -0.26 0.00 0.00 64.21 64.78 1n4r n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4r n GLY 190 N 0.43 -1.23 3.30 5.00 0.00 -1.26 -4.83 105.19 106.60 1n4r n GLY 190 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1n4r n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4r s MET 191 N -3.14 1.04 -0.98 1.61 0.23 -1.08 -2.58 119.30 114.39 1n4r s MET 191 Ca 0.07 -0.91 -0.15 0.00 -1.03 0.00 0.00 55.69 53.67 1n4r s MET 191 Cb 0.11 0.41 0.19 0.00 -1.53 0.00 0.00 34.83 34.01 1n4r s MET 191 CO 0.37 -0.38 1.08 0.34 -2.03 0.00 0.00 175.02 174.40 1n4r s ASP 192 N -2.86 6.87 0.39 -1.18 3.68 -1.26 -4.90 116.67 117.41 1n4r s ASP 192 Ca 0.07 -2.68 0.17 0.00 2.13 0.00 0.00 52.55 52.24 1n4r s ASP 192 Cb 0.03 -2.31 1.06 0.00 -1.45 0.00 0.00 42.92 40.25 1n4r s ASP 192 CO -0.08 -0.73 1.78 -0.03 0.13 0.00 0.00 175.17 176.24 1n4r h MET 193 N 7.83 0.42 -0.41 4.34 1.85 -1.98 -1.02 114.93 125.96 1n4r h MET 193 Ca 0.18 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.23 1n4r h MET 193 Cb 0.98 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1n4r h MET 193 CO 1.01 0.28 0.20 -0.22 -0.40 0.00 0.00 176.91 177.78 1n4r h LYS 194 N 0.43 0.59 -0.14 0.39 3.64 -2.00 -0.82 116.57 118.67 1n4r h LYS 194 Ca 0.58 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.74 1n4r h LYS 194 Cb 1.40 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1n4r h LYS 194 CO -0.29 0.51 -0.49 0.87 -2.27 0.00 0.00 179.45 177.77 1n4r h LYS 195 N 0.53 0.36 -0.20 1.90 1.57 -1.59 -2.15 116.57 116.98 1n4r h LYS 195 Ca 0.14 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1n4r h LYS 195 Cb 0.11 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1n4r h LYS 195 CO -0.02 0.77 0.07 0.00 -0.57 0.00 0.00 179.45 179.70 1n4r h ALA 196 N 1.20 0.27 -1.00 3.86 0.00 -1.09 -1.71 119.26 120.79 1n4r h ALA 196 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n4r h ALA 196 Cb 0.97 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1n4r h ALA 196 CO 0.08 -0.12 0.66 0.82 0.00 0.00 0.00 179.25 180.70 1n4r h ILE 197 N 0.16 1.22 -0.56 0.00 2.04 -1.07 -1.08 117.51 118.22 1n4r h ILE 197 Ca 0.07 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1n4r h ILE 197 Cb 0.22 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 1n4r h ILE 197 CO -0.00 0.24 0.34 -1.28 0.00 0.00 0.00 178.15 177.45 1n4r h SER 198 N 1.31 0.56 -0.35 1.72 0.87 -1.09 -0.48 113.55 116.09 1n4r h SER 198 Ca 0.38 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1n4r h SER 198 Cb -0.09 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1n4r h SER 198 CO -0.10 0.40 0.23 0.22 -0.53 0.00 0.00 176.83 177.05 1n4r h TYR 199 N 0.68 0.44 -0.75 2.24 3.20 -0.32 -0.55 116.97 121.91 1n4r h TYR 199 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1n4r h TYR 199 Cb 0.01 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1n4r h TYR 199 CO -0.06 0.27 0.48 0.82 -1.64 0.00 0.00 178.16 178.03 1n4r h ILE 200 N 0.47 1.20 -0.07 1.81 2.04 -0.75 -2.39 117.51 119.82 1n4r h ILE 200 Ca 0.13 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1n4r h ILE 200 Cb -0.05 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1n4r h ILE 200 CO -0.03 0.20 0.03 0.03 0.00 0.00 0.00 178.15 178.38 1n4r h ARG 201 N 1.02 0.11 0.00 2.37 3.08 -0.72 -2.68 114.38 117.56 1n4r h ARG 201 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1n4r h ARG 201 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1n4r h ARG 201 CO -0.06 0.23 0.00 0.54 -1.07 0.00 0.00 179.97 179.62 1n4r n ARG 202 N -4.95 0.06 0.00 0.04 3.00 -0.25 -1.66 116.66 112.90 1n4r n ARG 202 Ca -0.06 0.55 0.13 0.00 -0.01 0.00 0.00 57.85 58.46 1n4r n ARG 202 Cb 0.11 -1.70 0.33 0.00 0.00 0.00 0.00 32.46 31.20 1n4r n ARG 202 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1n4r n SER 203 N -1.84 0.98 -4.72 0.55 3.41 -0.93 -3.99 113.62 107.08 1n4r n SER 203 Ca -0.01 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.38 1n4r n SER 203 Cb 0.02 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1n4r n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1n4r s MET 204 N -2.59 4.32 0.67 4.33 0.00 -0.67 -1.50 119.30 123.85 1n4r s MET 204 Ca 0.22 2.11 -0.04 0.00 0.00 0.00 0.00 55.69 57.98 1n4r s MET 204 Cb 0.19 -3.22 0.07 0.00 0.00 0.00 0.00 34.83 31.86 1n4r s MET 204 CO 0.56 -0.43 0.95 0.45 0.00 0.00 0.00 175.02 176.55 1n4r s SER 205 N 0.95 4.83 0.54 1.11 0.15 -0.01 -4.89 113.70 116.38 1n4r s SER 205 Ca 0.64 0.20 0.30 0.00 0.70 0.00 0.00 55.95 57.79 1n4r s SER 205 Cb -0.38 -0.87 1.49 0.00 -1.71 0.00 0.00 66.02 64.56 1n4r s SER 205 CO 0.32 -1.53 2.06 0.10 1.20 0.00 0.00 173.24 175.39 1n4r h TYR 206 N -0.42 0.00 -0.17 3.44 -0.00 -1.95 -0.56 116.97 117.31 1n4r h TYR 206 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1n4r h TYR 206 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1n4r h TYR 206 CO 0.22 0.10 0.00 -0.40 -0.00 0.00 0.00 178.16 178.08 1n4r n ASP 207 N -3.45 1.80 0.00 0.10 3.85 -1.26 -4.95 116.55 112.65 1n4r n ASP 207 Ca -0.01 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 1n4r n ASP 207 Cb 0.25 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1n4r n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1n4r n ASN 208 N 0.41 -0.10 -4.61 -1.12 3.02 -0.22 -4.78 115.26 107.86 1n4r n ASN 208 Ca 0.16 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.47 1n4r n ASN 208 Cb 0.35 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.62 1n4r n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n4r s GLY 209 N -1.95 1.76 -0.09 7.41 0.00 -1.26 -4.20 107.32 108.99 1n4r s GLY 209 Ca 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 1n4r s GLY 209 CO 0.00 -1.03 -0.00 1.08 0.00 0.00 0.00 173.10 173.15 1n4r s LEU 210 N -5.25 3.56 0.56 0.66 1.02 -1.26 -0.83 118.68 117.14 1n4r s LEU 210 Ca 0.67 0.13 0.07 0.00 0.02 0.00 0.00 54.13 55.01 1n4r s LEU 210 Cb -0.05 -1.82 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1n4r s LEU 210 CO 0.45 0.36 0.52 0.00 0.02 0.00 0.00 176.35 177.71 1n4r s ALA 211 N -0.78 4.53 0.35 4.21 0.00 -0.56 -0.86 121.76 128.65 1n4r s ALA 211 Ca 0.12 -1.50 0.24 0.00 0.00 0.00 0.00 51.96 50.82 1n4r s ALA 211 Cb -0.11 -0.94 1.21 0.00 0.00 0.00 0.00 23.12 23.28 1n4r s ALA 211 CO 0.02 -0.58 1.98 1.96 0.00 0.00 0.00 175.76 179.14 1n4r h GLN 212 N 0.57 0.00 -2.17 0.00 1.08 -1.88 -3.45 115.11 109.26 1n4r h GLN 212 Ca -0.34 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.04 1n4r h GLN 212 Cb 1.30 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.63 1n4r h GLN 212 CO 0.52 0.18 0.55 0.20 -0.95 0.00 0.00 178.83 179.33 1n4r s GLY 213 N -4.23 -0.31 0.18 3.46 0.00 -1.26 -2.11 107.32 103.05 1n4r s GLY 213 Ca -0.02 0.44 -0.33 0.00 0.00 0.00 0.00 44.72 44.81 1n4r s GLY 213 CO 0.62 0.11 1.30 0.00 0.00 0.00 0.00 173.10 175.12 1n4r n ALA 214 N -0.41 -0.06 0.00 3.20 0.00 -1.26 -2.04 120.51 119.94 1n4r n ALA 214 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n4r n ALA 214 Cb 0.61 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1n4r n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4r n GLY 215 N 2.25 2.97 3.79 0.00 0.00 -1.26 -5.02 105.19 107.92 1n4r n GLY 215 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1n4r n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4r s LEU 216 N 0.00 2.56 0.08 0.99 2.01 -0.86 -4.98 118.68 118.47 1n4r s LEU 216 Ca 0.00 1.36 -0.31 0.00 0.01 0.00 0.00 54.13 55.19 1n4r s LEU 216 Cb 0.00 -3.95 -0.08 0.00 0.01 0.00 0.00 46.19 42.18 1n4r s LEU 216 CO 0.00 -2.08 1.52 -0.70 1.01 0.00 0.00 176.35 176.10 1n4r s GLU 217 N -5.11 4.25 0.55 1.70 2.12 -1.26 -4.68 118.70 116.26 1n4r s GLU 217 Ca 0.61 2.19 -0.22 0.00 0.36 0.00 0.00 54.97 57.91 1n4r s GLU 217 Cb -0.15 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1n4r s GLU 217 CO 0.55 -0.61 1.35 -1.54 -0.54 0.00 0.00 175.26 174.47 1n4r s SER 218 N 1.80 5.28 0.00 -1.70 1.04 -1.26 -4.41 113.70 114.45 1n4r s SER 218 Ca 0.69 2.75 -0.09 0.00 0.48 0.00 0.00 55.95 59.78 1n4r s SER 218 Cb -0.38 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.12 1n4r s SER 218 CO 0.30 -1.56 0.18 -2.28 0.98 0.00 0.00 173.24 170.85 1n4r s HIS 219 N -1.31 -0.00 0.28 5.02 2.46 -0.04 -4.85 115.29 116.84 1n4r s HIS 219 Ca 0.72 -0.06 -0.01 0.00 0.47 0.00 0.00 55.06 56.18 1n4r s HIS 219 Cb -0.40 -0.02 0.47 0.00 -0.13 0.00 0.00 32.58 32.50 1n4r s HIS 219 CO 0.47 -0.32 1.90 0.78 -2.47 0.00 0.00 174.74 175.10 1n4r h GLY 220 N 4.15 1.44 0.74 1.59 0.00 -0.92 -0.56 103.07 109.51 1n4r h GLY 220 Ca -0.31 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1n4r h GLY 220 CO 0.41 0.32 0.00 -1.33 0.00 0.00 0.00 176.54 175.94 1n4r h GLY 221 N 1.11 0.15 1.89 4.60 0.00 -1.91 -1.98 103.07 106.93 1n4r h GLY 221 Ca 0.41 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.53 1n4r h GLY 221 CO -0.16 0.10 -0.48 1.48 0.00 0.00 0.00 176.54 177.48 1n4r h SER 222 N -0.14 0.13 -0.57 0.19 4.64 -1.78 -1.52 113.55 114.51 1n4r h SER 222 Ca 0.02 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1n4r h SER 222 Cb 0.34 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1n4r h SER 222 CO 0.00 0.59 0.08 0.74 -0.87 0.00 0.00 176.83 177.38 1n4r h THR 223 N 0.10 1.26 0.00 2.95 2.02 -1.05 0.82 112.91 119.01 1n4r h THR 223 Ca 0.00 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1n4r h THR 223 Cb 0.89 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1n4r h THR 223 CO 0.07 0.36 -0.00 0.15 0.37 0.00 0.00 175.52 176.47 1n4r h PHE 224 N 0.84 -0.00 -0.79 3.16 3.57 -1.04 -0.70 116.94 121.97 1n4r h PHE 224 Ca 0.17 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1n4r h PHE 224 Cb 0.43 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1n4r h PHE 224 CO 0.03 0.08 0.48 0.00 -2.23 0.00 0.00 178.31 176.67 1n4r h GLY 226 N 0.86 -0.69 0.94 0.00 0.00 -0.63 -1.66 103.07 101.89 1n4r h GLY 226 Ca 0.35 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.95 1n4r h GLY 226 CO -0.18 -0.25 0.29 -2.22 0.00 0.00 0.00 176.54 174.18 1n4r h ILE 227 N -0.96 1.08 -0.59 2.60 1.08 -1.01 -1.82 117.51 117.89 1n4r h ILE 227 Ca -0.07 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1n4r h ILE 227 Cb 0.60 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1n4r h ILE 227 CO 0.11 0.11 0.23 0.00 -0.69 0.00 0.00 178.15 177.90 1n4r h ALA 228 N 1.19 1.30 -0.04 1.87 0.00 -0.81 -0.80 119.26 121.96 1n4r h ALA 228 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n4r h ALA 228 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1n4r h ALA 228 CO -0.06 0.52 0.02 0.77 0.00 0.00 0.00 179.25 180.50 1n4r h SER 229 N 0.84 0.05 -0.74 0.00 0.02 -0.78 0.59 113.55 113.53 1n4r h SER 229 Ca 0.20 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1n4r h SER 229 Cb 0.18 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1n4r h SER 229 CO -0.02 0.14 0.48 -0.07 -1.14 0.00 0.00 176.83 176.22 1n4r h LEU 230 N -0.04 0.80 -0.66 5.07 3.38 -1.00 -1.23 115.31 121.63 1n4r h LEU 230 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1n4r h LEU 230 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1n4r h LEU 230 CO -0.00 0.56 0.34 0.00 0.09 0.00 0.00 178.44 179.43 1n4r h LEU 232 N 0.91 0.21 0.00 0.00 4.07 -0.22 0.45 115.31 120.73 1n4r h LEU 232 Ca 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1n4r h LEU 232 Cb 0.09 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1n4r h LEU 232 CO -0.03 0.24 -0.27 0.23 -1.08 0.00 0.00 178.44 177.53 1n4r n MET 233 N -4.42 0.17 -2.93 1.13 2.81 -0.53 -4.94 117.12 108.41 1n4r n MET 233 Ca -0.00 0.09 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 1n4r n MET 233 Cb 0.15 -1.65 0.05 0.00 -0.71 0.00 0.00 33.22 31.06 1n4r n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n4r n GLY 234 N 1.39 0.04 0.69 3.03 0.00 0.50 -4.96 105.19 105.89 1n4r n GLY 234 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1n4r n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4r n LYS 235 N -2.86 0.08 0.27 1.61 5.02 -0.39 -4.90 118.16 116.98 1n4r n LYS 235 Ca -0.09 -1.31 -0.18 0.00 -2.02 0.00 0.00 58.31 54.70 1n4r n LYS 235 Cb 0.57 -0.46 -0.10 0.00 -0.02 0.00 0.00 35.03 35.03 1n4r n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1n4r h LEU 236 N 0.22 -1.43 -0.83 -0.35 6.46 -1.91 -0.44 115.31 117.03 1n4r h LEU 236 Ca -0.05 0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.94 1n4r h LEU 236 Cb 1.48 0.48 -0.08 0.00 -0.73 0.00 0.00 40.66 41.81 1n4r h LEU 236 CO 0.02 -0.66 0.46 -0.33 -0.62 0.00 0.00 178.44 177.32 1n4r h GLU 237 N -0.98 0.71 -0.31 1.25 4.39 -1.91 -1.32 114.58 116.42 1n4r h GLU 237 Ca -0.05 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1n4r h GLU 237 Cb 0.86 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1n4r h GLU 237 CO -0.10 0.47 -0.27 1.49 -1.16 0.00 0.00 179.01 179.44 1n4r h GLU 238 N 0.73 0.62 0.23 2.33 4.81 -1.85 -3.32 114.58 118.14 1n4r h GLU 238 Ca 0.42 -0.26 -0.34 0.00 -0.13 0.00 0.00 59.36 59.05 1n4r h GLU 238 Cb 0.46 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.84 1n4r h GLU 238 CO -0.29 0.83 -1.60 0.28 -0.73 0.00 0.00 179.01 177.50 1n4r h VAL 239 N 0.54 1.13 -3.71 0.32 2.07 -0.49 -3.46 116.25 112.65 1n4r h VAL 239 Ca 0.07 -2.62 -0.68 0.00 0.82 0.00 0.00 66.70 64.29 1n4r h VAL 239 Cb 0.75 2.92 -0.23 0.00 -1.52 0.00 0.00 31.29 33.21 1n4r h VAL 239 CO 0.06 0.83 -0.74 -0.36 0.02 0.00 0.00 177.57 177.38 1n4r s PHE 240 N -2.59 2.82 0.86 1.57 2.99 -0.55 -5.08 117.98 117.99 1n4r s PHE 240 Ca -0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 56.93 56.46 1n4r s PHE 240 Cb 0.05 -1.73 0.11 0.00 0.00 0.00 0.00 43.02 41.45 1n4r s PHE 240 CO 0.91 0.11 1.10 -1.54 -0.00 0.00 0.00 175.22 175.80 1n4r s SER 241 N -0.41 3.87 0.24 1.36 1.04 -1.26 -4.61 113.70 113.93 1n4r s SER 241 Ca 0.05 1.29 -0.07 0.00 0.48 0.00 0.00 55.95 57.70 1n4r s SER 241 Cb -0.12 -1.98 0.23 0.00 0.10 0.00 0.00 66.02 64.24 1n4r s SER 241 CO 0.02 -2.36 1.91 -0.08 0.98 0.00 0.00 173.24 173.71 1n4r h GLU 242 N -1.36 1.24 -0.59 4.02 4.81 -1.99 0.10 114.58 120.81 1n4r h GLU 242 Ca -0.49 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1n4r h GLU 242 Cb 1.29 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1n4r h GLU 242 CO 0.58 0.83 0.24 -0.22 -0.73 0.00 0.00 179.01 179.70 1n4r h LYS 243 N 1.27 0.88 -0.04 1.92 1.63 -1.99 -1.03 116.57 119.20 1n4r h LYS 243 Ca 0.34 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1n4r h LYS 243 Cb -0.13 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.35 1n4r h LYS 243 CO -0.07 0.75 0.02 0.93 -3.45 0.00 0.00 179.45 177.63 1n4r h GLU 244 N 0.81 0.06 -0.35 1.90 5.08 -1.67 -1.90 114.58 118.51 1n4r h GLU 244 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1n4r h GLU 244 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1n4r h GLU 244 CO -0.02 0.12 0.23 -0.07 -1.00 0.00 0.00 179.01 178.27 1n4r h LEU 245 N -0.01 0.40 -0.56 1.33 3.38 -0.64 -1.02 115.31 118.18 1n4r h LEU 245 Ca 0.02 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1n4r h LEU 245 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1n4r h LEU 245 CO -0.00 0.29 -0.08 0.78 0.09 0.00 0.00 178.44 179.51 1n4r h ASN 246 N 0.47 1.04 -0.57 -0.43 2.35 -0.76 -0.17 115.58 117.51 1n4r h ASN 246 Ca 0.13 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1n4r h ASN 246 Cb -0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1n4r h ASN 246 CO -0.03 1.13 0.08 0.03 -1.65 0.00 0.00 177.43 177.00 1n4r h ARG 247 N 0.93 0.95 -0.22 0.81 3.08 -0.51 -1.33 114.38 118.09 1n4r h ARG 247 Ca 0.15 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1n4r h ARG 247 Cb 0.65 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1n4r h ARG 247 CO 0.04 0.92 0.05 0.82 -1.07 0.00 0.00 179.97 180.73 1n4r h ILE 248 N 0.85 1.21 -0.66 2.04 2.04 -1.06 -1.58 117.51 120.35 1n4r h ILE 248 Ca 0.17 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.46 1n4r h ILE 248 Cb 0.43 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1n4r h ILE 248 CO 0.01 0.21 0.30 0.11 0.00 0.00 0.00 178.15 178.78 1n4r h LYS 249 N 0.17 0.49 -0.59 2.37 1.57 -0.86 -0.02 116.57 119.70 1n4r h LYS 249 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n4r h LYS 249 Cb 0.27 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1n4r h LYS 249 CO 0.00 0.33 0.38 -0.09 -0.57 0.00 0.00 179.45 179.50 1n4r h ARG 250 N 0.51 0.78 -0.49 3.15 9.65 -0.94 -0.30 114.38 126.73 1n4r h ARG 250 Ca 0.33 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1n4r h ARG 250 Cb 0.38 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1n4r h ARG 250 CO -0.29 0.53 0.23 2.35 2.80 0.00 0.00 179.97 185.60 1n4r h TRP 251 N 0.80 0.71 0.20 2.20 7.01 -0.23 -2.42 115.95 124.22 1n4r h TRP 251 Ca 0.22 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1n4r h TRP 251 Cb -0.08 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 1n4r h TRP 251 CO -0.03 0.57 -0.09 0.00 -2.79 0.00 0.00 178.44 176.09 1n4r h ILE 253 N -0.50 0.00 0.00 0.00 2.10 -1.05 -0.71 117.51 117.35 1n4r h ILE 253 Ca -0.03 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1n4r h ILE 253 Cb 0.38 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1n4r h ILE 253 CO 0.04 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.34 1n4r n MET 254 N -2.62 0.21 0.20 2.19 2.81 -0.91 -3.25 117.12 115.75 1n4r n MET 254 Ca -0.00 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.07 1n4r n MET 254 Cb 0.15 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.54 1n4r n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n4r h ARG 255 N 0.00 0.00 -6.33 0.03 2.47 -1.19 -3.45 114.38 105.91 1n4r h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4r h ARG 255 Cb 0.33 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1n4r h ARG 255 CO 0.00 0.00 0.55 -1.14 0.56 0.00 0.00 179.97 179.94 1n4r s GLN 256 N -3.30 4.44 -0.08 0.04 0.74 -1.20 -2.54 119.66 117.76 1n4r s GLN 256 Ca 0.06 1.50 0.03 0.00 0.05 0.00 0.00 55.36 57.01 1n4r s GLN 256 Cb 0.08 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.61 1n4r s GLN 256 CO 0.59 -0.27 -0.03 1.04 -0.55 0.00 0.00 175.29 176.07 1n4r n GLN 257 N 4.66 1.45 0.05 1.67 1.13 -1.26 -4.96 117.38 120.11 1n4r n GLN 257 Ca 0.09 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1n4r n GLN 257 Cb 0.48 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1n4r n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n4r n ASN 258 N -2.53 -0.91 -0.55 1.08 0.23 -1.26 -5.07 115.26 106.25 1n4r n ASN 258 Ca -0.14 0.41 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1n4r n ASN 258 Cb 0.70 1.11 0.00 0.00 -2.08 0.00 0.00 39.78 39.51 1n4r n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4r n GLY 259 N -1.28 1.61 3.17 4.83 0.00 -1.26 -2.23 105.19 110.02 1n4r n GLY 259 Ca 0.00 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 1n4r n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4r s TYR 260 N 2.13 1.41 0.34 1.61 1.51 -1.26 -4.41 117.35 118.68 1n4r s TYR 260 Ca 0.00 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1n4r s TYR 260 Cb 0.00 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1n4r s TYR 260 CO 0.00 0.04 0.23 -3.38 -1.11 0.00 0.00 175.55 171.33 1n4r s HIS 261 N -0.73 2.82 -0.81 2.71 -3.43 -1.05 -0.81 115.29 113.99 1n4r s HIS 261 Ca 0.04 -0.34 0.24 0.00 -0.80 0.00 0.00 55.06 54.20 1n4r s HIS 261 Cb -0.08 -1.73 0.23 0.00 -1.43 0.00 0.00 32.58 29.57 1n4r s HIS 261 CO 0.01 0.25 1.20 0.41 -2.00 0.00 0.00 174.74 174.61 1n4r n GLY 262 N -1.28 -1.23 3.32 -1.38 0.00 -1.26 -4.85 105.19 98.51 1n4r n GLY 262 Ca -0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1n4r n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n4r s ARG 263 N -3.10 0.79 0.44 1.61 0.52 -1.26 -0.26 118.95 117.68 1n4r s ARG 263 Ca 0.07 -0.07 -0.24 0.00 -0.52 0.00 0.00 55.73 54.97 1n4r s ARG 263 Cb 0.16 0.36 -0.10 0.00 0.52 0.00 0.00 34.95 35.88 1n4r s ARG 263 CO 0.76 -0.23 1.02 -2.30 0.02 0.00 0.00 175.30 174.57 1n4r n PRO 264 N 1.14 1.35 -2.42 3.54 -0.02 -1.26 -2.37 135.00 134.96 1n4r n PRO 264 Ca -0.21 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1n4r n PRO 264 Cb 0.56 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1n4r n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n4r n ASN 265 N 0.38 -5.75 -4.26 2.55 5.03 -1.26 -5.01 115.26 106.95 1n4r n ASN 265 Ca 0.09 -0.04 -0.25 0.00 0.87 0.00 0.00 54.58 55.26 1n4r n ASN 265 Cb 0.40 -4.76 -0.14 0.00 -1.02 0.00 0.00 39.78 34.27 1n4r n ASN 265 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n4r s LYS 266 N -5.05 1.33 0.61 3.52 -0.14 -1.00 -5.13 119.74 113.88 1n4r s LYS 266 Ca 0.02 -0.99 -0.19 0.00 -1.36 0.00 0.00 55.97 53.45 1n4r s LYS 266 Cb -0.01 -1.48 -0.03 0.00 -1.68 0.00 0.00 37.83 34.63 1n4r s LYS 266 CO 0.03 0.37 1.25 -1.25 -0.76 0.00 0.00 175.35 174.99 1n4r s PRO 267 N -1.35 2.84 0.83 -1.68 0.04 -1.26 -4.75 135.00 129.67 1n4r s PRO 267 Ca 0.07 1.95 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1n4r s PRO 267 Cb -0.09 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1n4r s PRO 267 CO 0.02 -1.34 1.11 0.14 0.04 0.00 0.00 177.00 176.98 1n4r s VAL 268 N -1.49 2.86 -0.14 -0.36 -7.23 -1.26 -4.62 120.40 108.16 1n4r s VAL 268 Ca 0.79 0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 61.17 1n4r s VAL 268 Cb -0.34 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.06 1n4r s VAL 268 CO 0.37 -0.36 0.31 -0.62 -0.31 0.00 0.00 175.10 174.48 1n4r s ASP 269 N -3.13 -0.21 0.28 4.85 -1.08 0.01 -4.85 116.67 112.55 1n4r s ASP 269 Ca 0.63 0.68 -0.06 0.00 -0.52 0.00 0.00 52.55 53.28 1n4r s ASP 269 Cb -0.19 0.64 0.51 0.00 -1.46 0.00 0.00 42.92 42.42 1n4r s ASP 269 CO 0.57 -0.19 1.57 0.74 0.52 0.00 0.00 175.17 178.37 1n4r h THR 270 N 5.89 0.03 -0.02 1.71 2.02 -1.69 0.31 112.91 121.17 1n4r h THR 270 Ca -0.32 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1n4r h THR 270 Cb 1.15 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1n4r h THR 270 CO 0.28 0.00 0.06 0.00 0.37 0.00 0.00 175.52 176.24 1n4r h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.16 -1.81 116.97 114.05 1n4r h TYR 272 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1n4r h TYR 272 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1n4r h TYR 272 CO 0.00 0.00 -0.03 0.77 -1.05 0.00 0.00 178.16 177.85 1n4r h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.12 0.12 113.55 116.45 1n4r h SER 273 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1n4r h SER 273 Cb 0.51 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1n4r h SER 273 CO 0.00 0.03 -1.50 0.33 -1.14 0.00 0.00 176.83 174.55 1n4r n PHE 274 N -3.63 0.30 -0.18 3.45 7.35 -0.73 -2.96 117.46 121.06 1n4r n PHE 274 Ca -0.03 0.13 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 1n4r n PHE 274 Cb 0.13 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 39.11 1n4r n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n4r h TRP 275 N -1.00 -1.26 0.13 -5.13 -0.00 -1.31 0.75 115.95 108.13 1n4r h TRP 275 Ca -0.30 0.08 -0.20 0.00 -0.00 0.00 0.00 58.89 58.47 1n4r h TRP 275 Cb 1.18 0.63 0.02 0.00 -0.00 0.00 0.00 29.16 30.99 1n4r h TRP 275 CO -0.20 -0.43 -0.85 0.28 -0.00 0.00 0.00 178.44 177.25 1n4r h VAL 276 N -0.25 1.48 -0.63 1.49 2.07 -1.00 -3.16 116.25 116.24 1n4r h VAL 276 Ca 0.17 -2.48 0.06 0.00 0.82 0.00 0.00 66.70 65.27 1n4r h VAL 276 Cb 0.57 3.09 -0.06 0.00 -1.52 0.00 0.00 31.29 33.37 1n4r h VAL 276 CO -0.65 0.71 0.33 1.23 0.02 0.00 0.00 177.57 179.21 1n4r h GLY 277 N -0.27 0.92 1.50 2.17 0.00 -1.38 0.22 103.07 106.23 1n4r h GLY 277 Ca -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1n4r h GLY 277 CO 0.16 0.12 0.08 0.00 0.00 0.00 0.00 176.54 176.90 1n4r h ALA 278 N 1.35 1.36 -0.14 3.60 0.00 0.40 0.04 119.26 125.87 1n4r h ALA 278 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n4r h ALA 278 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n4r h ALA 278 CO -0.20 0.45 0.01 1.15 0.00 0.00 0.00 179.25 180.66 1n4r h THR 279 N 0.61 1.24 -0.89 0.00 2.02 -1.18 -0.22 112.91 114.50 1n4r h THR 279 Ca 0.14 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.57 1n4r h THR 279 Cb 0.27 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1n4r h THR 279 CO 0.00 0.23 0.58 -0.07 0.37 0.00 0.00 175.52 176.63 1n4r h LEU 280 N -0.00 0.95 -0.22 2.58 3.38 -0.56 -0.28 115.31 121.15 1n4r h LEU 280 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 280 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n4r h LEU 280 CO 0.01 0.64 0.09 0.50 0.09 0.00 0.00 178.44 179.77 1n4r h LYS 281 N 1.09 0.33 -0.04 1.13 1.63 -0.63 -1.16 116.57 118.92 1n4r h LYS 281 Ca 0.36 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1n4r h LYS 281 Cb 0.05 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1n4r h LYS 281 CO -0.11 0.37 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.13 1n4r h LEU 282 N 0.21 0.05 -0.95 5.20 3.38 -0.15 0.02 115.31 123.07 1n4r h LEU 282 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n4r h LEU 282 Cb 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n4r h LEU 282 CO -0.01 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.83 1n4r n LEU 283 N -4.43 1.41 -2.03 1.67 4.77 -0.20 -4.93 117.00 113.26 1n4r n LEU 283 Ca -0.02 -0.64 -0.19 0.00 -0.03 0.00 0.00 56.01 55.13 1n4r n LEU 283 Cb 0.16 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1n4r n LEU 283 CO 0.35 0.32 -0.23 0.29 -1.33 0.00 0.00 177.39 176.79 1n4r n LYS 284 N 0.19 -1.47 -0.21 3.23 4.01 -0.01 -4.88 118.16 119.03 1n4r n LYS 284 Ca 0.13 0.95 0.03 0.00 -0.51 0.00 0.00 58.31 58.91 1n4r n LYS 284 Cb 0.26 -5.45 0.04 0.00 -0.51 0.00 0.00 35.03 29.37 1n4r n LYS 284 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1n4r n ILE 285 N -3.78 0.62 0.17 -0.18 -5.35 -0.53 -4.73 119.36 105.57 1n4r n ILE 285 Ca -0.22 -0.71 0.03 0.00 -0.27 0.00 0.00 62.75 61.58 1n4r n ILE 285 Cb 0.66 0.42 0.40 0.00 -1.74 0.00 0.00 39.64 39.38 1n4r n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1n4r h PHE 286 N 0.00 0.09 -0.07 4.28 3.57 -1.81 -1.95 116.94 121.05 1n4r h PHE 286 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1n4r h PHE 286 Cb 1.08 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1n4r h PHE 286 CO 0.04 0.34 0.15 -0.56 -2.23 0.00 0.00 178.31 176.04 1n4r h GLN 287 N 0.08 0.00 -0.26 1.11 3.07 -1.89 -0.98 115.11 116.24 1n4r h GLN 287 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1n4r h GLN 287 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1n4r h GLN 287 CO 0.04 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.62 1n4r n TYR 288 N -3.37 0.33 -2.23 0.06 0.53 -0.73 -4.92 117.16 106.83 1n4r n TYR 288 Ca -0.01 -0.16 -0.25 0.00 -1.02 0.00 0.00 57.90 56.45 1n4r n TYR 288 Cb 0.23 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.61 1n4r n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1n4r s THR 289 N -1.67 2.33 -0.43 -0.72 -4.23 -0.38 -5.02 115.64 105.53 1n4r s THR 289 Ca 0.34 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.34 1n4r s THR 289 Cb 0.19 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1n4r s THR 289 CO 0.28 -0.01 0.75 0.21 -0.54 0.00 0.00 174.62 175.31 1n4r s ASN 290 N -4.51 6.42 0.02 3.99 3.84 -1.26 -4.94 114.94 118.50 1n4r s ASN 290 Ca 0.60 -0.05 -0.22 0.00 0.21 0.00 0.00 52.86 53.40 1n4r s ASN 290 Cb -0.11 -2.37 -0.16 0.00 -0.55 0.00 0.00 41.25 38.06 1n4r s ASN 290 CO 0.44 -0.84 1.31 -0.26 -2.79 0.00 0.00 177.10 174.97 1n4r h PHE 291 N 8.84 0.33 0.09 0.43 0.05 -1.94 -3.25 116.94 121.49 1n4r h PHE 291 Ca -0.25 -0.10 0.02 0.00 3.82 0.00 0.00 57.97 61.46 1n4r h PHE 291 Cb 1.09 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 38.94 1n4r h PHE 291 CO 0.78 0.70 -0.23 0.93 -0.18 0.00 0.00 178.31 180.32 1n4r h GLU 292 N -0.14 -0.39 -0.59 1.51 4.39 -1.97 0.10 114.58 117.50 1n4r h GLU 292 Ca 0.02 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1n4r h GLU 292 Cb 0.65 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1n4r h GLU 292 CO 0.03 -0.26 0.35 0.87 -1.16 0.00 0.00 179.01 178.84 1n4r h LYS 293 N -0.41 0.79 0.23 2.33 1.57 -1.85 0.17 116.57 119.39 1n4r h LYS 293 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1n4r h LYS 293 Cb 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1n4r h LYS 293 CO -0.14 0.56 -0.11 -0.97 -0.57 0.00 0.00 179.45 178.22 1n4r h ASN 294 N 0.80 -0.26 -0.77 0.86 -1.24 -1.04 -1.62 115.58 112.32 1n4r h ASN 294 Ca 0.21 -0.23 0.07 0.00 0.71 0.00 0.00 56.30 57.06 1n4r h ASN 294 Cb -0.02 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 1n4r h ASN 294 CO -0.04 0.12 0.44 -0.09 -1.29 0.00 0.00 177.43 176.58 1n4r h ARG 295 N -0.67 0.77 -0.58 6.67 2.43 -0.49 -1.32 114.38 121.19 1n4r h ARG 295 Ca -0.03 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1n4r h ARG 295 Cb 0.47 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1n4r h ARG 295 CO 0.05 0.51 0.31 -0.91 -1.51 0.00 0.00 179.97 178.42 1n4r h ASN 296 N 0.80 0.74 0.25 -3.80 2.35 -0.63 -1.90 115.58 113.38 1n4r h ASN 296 Ca 0.35 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1n4r h ASN 296 Cb 0.23 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1n4r h ASN 296 CO -0.20 0.63 -0.12 0.22 -1.65 0.00 0.00 177.43 176.31 1n4r h TYR 297 N 0.79 -0.31 -0.49 1.19 3.20 -0.52 -1.04 116.97 119.78 1n4r h TYR 297 Ca 0.20 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.17 1n4r h TYR 297 Cb 0.06 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.34 1n4r h TYR 297 CO -0.01 -0.11 -0.10 0.82 -1.64 0.00 0.00 178.16 177.11 1n4r h ILE 298 N -0.45 0.52 -0.27 1.81 2.04 -1.17 -0.06 117.51 119.93 1n4r h ILE 298 Ca -0.03 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1n4r h ILE 298 Cb 0.34 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1n4r h ILE 298 CO 0.06 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.11 1n4r h LEU 299 N 0.02 0.39 -1.01 1.44 3.38 -1.23 -1.94 115.31 116.36 1n4r h LEU 299 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n4r h LEU 299 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n4r h LEU 299 CO -0.49 0.48 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 1n4r n SER 300 N -4.29 0.52 -1.17 -0.43 3.41 -0.05 -1.18 113.62 110.42 1n4r n SER 300 Ca 0.01 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1n4r n SER 300 Cb 0.24 -0.78 0.26 0.00 -0.26 0.00 0.00 64.21 63.67 1n4r n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4r n THR 301 N -2.15 0.83 -2.47 6.66 -2.24 -0.73 -4.33 114.28 109.86 1n4r n THR 301 Ca 0.00 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.45 1n4r n THR 301 Cb 0.10 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1n4r n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n4r s GLN 302 N -1.13 4.52 -0.59 -0.78 0.74 -0.33 -1.08 119.66 121.00 1n4r s GLN 302 Ca 0.41 1.75 -0.21 0.00 0.05 0.00 0.00 55.36 57.37 1n4r s GLN 302 Cb 0.22 -3.30 0.08 0.00 1.10 0.00 0.00 33.01 31.11 1n4r s GLN 302 CO 0.30 -0.07 0.80 0.34 -0.55 0.00 0.00 175.29 176.11 1n4r s ASP 303 N 0.38 6.20 0.39 6.67 -1.08 -0.37 -4.90 116.67 123.97 1n4r s ASP 303 Ca 0.53 -1.06 0.28 0.00 -0.52 0.00 0.00 52.55 51.78 1n4r s ASP 303 Cb -0.30 -2.35 1.35 0.00 -1.46 0.00 0.00 42.92 40.16 1n4r s ASP 303 CO 0.33 -1.20 1.85 0.03 0.52 0.00 0.00 175.17 176.70 1n4r h ARG 304 N 9.29 0.00 0.00 4.34 3.08 -1.89 0.24 114.38 129.45 1n4r h ARG 304 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1n4r h ARG 304 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1n4r h ARG 304 CO 1.10 0.00 -0.62 -0.11 -1.07 0.00 0.00 179.97 179.27 1n4r n LEU 305 N -2.52 1.82 0.02 3.04 -0.00 -1.26 -4.66 117.00 113.45 1n4r n LEU 305 Ca -0.00 0.60 0.11 0.00 -0.00 0.00 0.00 56.01 56.72 1n4r n LEU 305 Cb 0.15 -0.87 -0.05 0.00 -0.00 0.00 0.00 43.42 42.65 1n4r n LEU 305 CO 0.17 -0.39 -0.20 1.33 -0.00 0.00 0.00 177.39 178.31 1n4r n VAL 306 N -4.59 0.15 0.00 1.96 0.24 -1.24 -5.09 118.33 109.76 1n4r n VAL 306 Ca -0.10 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1n4r n VAL 306 Cb 0.32 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1n4r n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n4r n GLY 307 N 1.34 0.02 0.31 7.63 0.00 0.85 -4.50 105.19 110.84 1n4r n GLY 307 Ca 0.01 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.11 1n4r n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4r n GLY 308 N -0.17 -1.75 3.40 -0.02 0.00 -1.26 -4.32 105.19 101.08 1n4r n GLY 308 Ca 0.00 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 1n4r n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4r s PHE 309 N -1.76 2.00 0.48 1.61 0.40 -1.26 -1.23 117.98 118.22 1n4r s PHE 309 Ca 0.00 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1n4r s PHE 309 Cb 0.00 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 1n4r s PHE 309 CO 0.00 0.52 0.08 0.00 0.70 0.00 0.00 175.22 176.52 1n4r s ALA 310 N -2.61 3.89 0.13 5.36 0.00 -0.25 -2.70 121.76 125.59 1n4r s ALA 310 Ca 0.25 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1n4r s ALA 310 Cb -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1n4r s ALA 310 CO 0.10 -0.12 1.35 1.57 0.00 0.00 0.00 175.76 178.67 1n4r h LYS 311 N 1.37 0.66 -5.30 0.00 2.10 -1.87 -3.41 116.57 110.12 1n4r h LYS 311 Ca -0.43 -0.54 -0.40 0.00 -2.00 0.00 0.00 60.65 57.28 1n4r h LYS 311 Cb 1.29 0.11 -0.14 0.00 -0.90 0.00 0.00 32.23 32.59 1n4r h LYS 311 CO 0.73 1.16 -0.70 -1.58 -2.00 0.00 0.00 179.45 177.05 1n4r s TRP 312 N -3.70 1.56 0.55 0.07 0.51 -1.26 -2.30 118.94 114.37 1n4r s TRP 312 Ca -0.09 -0.72 -0.21 0.00 -2.12 0.00 0.00 56.10 52.96 1n4r s TRP 312 Cb 0.09 -0.81 -0.05 0.00 -0.81 0.00 0.00 33.47 31.90 1n4r s TRP 312 CO 0.88 0.18 1.28 -1.25 -0.51 0.00 0.00 176.95 177.53 1n4r s PRO 313 N -3.73 3.17 -1.36 4.98 0.04 -1.26 -2.87 135.00 133.97 1n4r s PRO 313 Ca 0.23 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1n4r s PRO 313 Cb 0.02 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1n4r s PRO 313 CO 0.06 -1.11 1.09 -0.40 0.04 0.00 0.00 177.00 176.68 1n4r n ASP 314 N -1.13 -4.99 -4.30 6.66 5.68 -1.26 -5.00 116.55 112.21 1n4r n ASP 314 Ca 0.11 -0.62 -0.17 0.00 -0.50 0.00 0.00 54.79 53.61 1n4r n ASP 314 Cb 0.47 -4.79 -0.10 0.00 -1.14 0.00 0.00 41.12 35.56 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1n4r s SER 315 N -3.58 2.24 0.10 -1.12 0.15 -1.14 -5.12 113.70 105.24 1n4r s SER 315 Ca 0.46 -0.98 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 1n4r s SER 315 Cb -0.21 -0.09 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 1n4r s SER 315 CO 0.75 -0.21 1.24 -1.00 1.20 0.00 0.00 173.24 175.22 1n4r s HIS 316 N -2.93 3.40 0.57 3.44 4.02 -1.26 -4.67 115.29 117.85 1n4r s HIS 316 Ca 0.18 1.25 -0.16 0.00 1.02 0.00 0.00 55.06 57.36 1n4r s HIS 316 Cb -0.00 -3.48 -0.05 0.00 -1.02 0.00 0.00 32.58 28.03 1n4r s HIS 316 CO 0.04 -1.49 1.03 -1.25 1.02 0.00 0.00 174.74 174.09 1n4r s PRO 317 N 0.80 3.53 0.18 8.40 0.04 -1.26 -4.63 135.00 142.05 1n4r s PRO 317 Ca 0.59 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 1n4r s PRO 317 Cb -0.32 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1n4r s PRO 317 CO 0.31 -0.63 0.30 0.16 0.04 0.00 0.00 177.00 177.18 1n4r s ASP 318 N -2.97 0.03 0.21 6.66 1.47 -1.10 -4.97 116.67 116.00 1n4r s ASP 318 Ca 0.61 -0.90 -0.09 0.00 1.18 0.00 0.00 52.55 53.36 1n4r s ASP 318 Cb -0.14 0.45 0.28 0.00 -0.34 0.00 0.00 42.92 43.17 1n4r s ASP 318 CO 0.36 -0.92 1.78 0.00 0.68 0.00 0.00 175.17 177.07 1n4r h ALA 319 N 2.51 0.87 0.05 2.11 0.00 -1.97 -1.19 119.26 121.64 1n4r h ALA 319 Ca -0.31 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1n4r h ALA 319 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1n4r h ALA 319 CO 0.47 -0.07 -0.10 1.25 0.00 0.00 0.00 179.25 180.79 1n4r h LEU 320 N 0.55 -0.28 -0.85 0.00 6.46 -1.95 -0.49 115.31 118.75 1n4r h LEU 320 Ca 0.31 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.99 1n4r h LEU 320 Cb 0.31 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1n4r h LEU 320 CO -0.25 -0.15 -0.55 0.45 -0.62 0.00 0.00 178.44 177.32 1n4r h HIS 321 N -0.20 0.09 -0.14 1.25 3.86 -1.75 -1.41 115.15 116.84 1n4r h HIS 321 Ca 0.02 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1n4r h HIS 321 Cb 0.22 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1n4r h HIS 321 CO -0.14 0.61 0.05 0.00 0.86 0.00 0.00 177.93 179.30 1n4r h ALA 322 N 1.39 0.18 -0.00 2.45 0.00 -0.97 0.24 119.26 122.54 1n4r h ALA 322 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n4r h ALA 322 Cb 0.99 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1n4r h ALA 322 CO 0.08 -0.22 0.00 -0.92 0.00 0.00 0.00 179.25 178.19 1n4r h TYR 323 N 0.05 0.01 0.00 0.00 3.20 -0.96 -2.35 116.97 116.92 1n4r h TYR 323 Ca 0.05 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1n4r h TYR 323 Cb 0.20 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1n4r h TYR 323 CO -0.01 0.26 -0.41 0.74 -1.64 0.00 0.00 178.16 177.11 1n4r h PHE 324 N -0.25 0.00 -0.50 -3.82 -1.00 -1.26 -0.42 116.94 109.70 1n4r h PHE 324 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1n4r h PHE 324 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1n4r h PHE 324 CO 0.01 0.41 -0.19 0.78 -1.61 0.00 0.00 178.31 177.71 1n4r h GLY 325 N 1.88 1.10 0.97 -1.45 0.00 -0.49 0.14 103.07 105.22 1n4r h GLY 325 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 47.33 46.27 1n4r h GLY 325 CO 0.05 0.87 -0.16 -2.22 0.00 0.00 0.00 176.54 175.09 1n4r h ILE 326 N 0.88 1.28 -0.07 2.60 2.04 -1.10 -0.88 117.51 122.28 1n4r h ILE 326 Ca 0.12 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1n4r h ILE 326 Cb 0.77 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1n4r h ILE 326 CO 0.06 0.42 -0.21 0.00 0.00 0.00 0.00 178.15 178.42 1n4r h GLY 328 N 0.78 0.67 1.02 0.00 0.00 -0.30 -2.14 103.07 103.10 1n4r h GLY 328 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1n4r h GLY 328 CO 0.03 0.45 0.32 1.41 0.00 0.00 0.00 176.54 178.75 1n4r h LEU 329 N 0.43 0.99 -1.27 3.11 4.07 -0.50 -2.72 115.31 119.42 1n4r h LEU 329 Ca 0.10 -0.16 0.07 0.00 0.08 0.00 0.00 57.88 57.97 1n4r h LEU 329 Cb 0.45 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1n4r h LEU 329 CO 0.02 0.87 0.53 -1.28 -1.08 0.00 0.00 178.44 177.50 1n4r h SER 330 N 1.04 0.77 -0.59 -0.43 0.87 -0.52 -0.84 113.55 113.85 1n4r h SER 330 Ca 0.25 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.99 1n4r h SER 330 Cb 0.17 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1n4r h SER 330 CO -0.03 0.49 0.43 -0.07 -0.53 0.00 0.00 176.83 177.12 1n4r h LEU 331 N 0.87 0.00 -2.99 2.23 4.07 -1.05 0.12 115.31 118.56 1n4r h LEU 331 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1n4r h LEU 331 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1n4r h LEU 331 CO -0.13 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.46 1n4r n MET 332 N -4.34 3.25 -3.31 1.13 2.81 -0.34 -4.98 117.12 111.35 1n4r n MET 332 Ca 0.11 -2.69 -0.16 0.00 -1.81 0.00 0.00 57.70 53.15 1n4r n MET 332 Cb 0.67 -1.70 0.08 0.00 -0.71 0.00 0.00 33.22 31.56 1n4r n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4r n GLU 333 N 1.09 -4.57 -1.73 0.03 1.02 0.42 -4.94 120.64 111.95 1n4r n GLU 333 Ca 0.23 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.78 1n4r n GLU 333 Cb 0.74 -5.75 -0.01 0.00 -0.02 0.00 0.00 31.44 26.40 1n4r n GLU 333 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1n4r n GLU 334 N -3.66 2.44 -1.84 3.49 4.07 -1.16 -4.85 120.64 119.13 1n4r n GLU 334 Ca -0.19 0.86 -0.43 0.00 -0.06 0.00 0.00 57.16 57.35 1n4r n GLU 334 Cb 0.64 -2.55 -0.03 0.00 -0.06 0.00 0.00 31.44 29.45 1n4r n GLU 334 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1n4r s SER 335 N -0.03 5.67 0.00 4.31 0.15 -1.26 -2.03 113.70 120.51 1n4r s SER 335 Ca 0.57 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1n4r s SER 335 Cb -0.53 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.26 1n4r s SER 335 CO 0.59 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.78 1n4r n GLY 336 N 5.57 1.11 2.92 9.45 0.00 -1.26 -5.06 105.19 117.91 1n4r n GLY 336 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1n4r n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4r s ILE 337 N -2.00 0.82 0.87 -0.61 1.01 -0.86 -4.74 121.20 115.70 1n4r s ILE 337 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 1n4r s ILE 337 Cb 0.00 -0.83 0.07 0.00 0.01 0.00 0.00 42.46 41.71 1n4r s ILE 337 CO 0.00 0.31 0.87 0.00 0.00 0.00 0.00 174.94 176.11 1n4r s LYS 339 N -3.96 4.58 -0.06 0.00 3.01 -1.26 -4.76 119.74 117.29 1n4r s LYS 339 Ca 0.66 1.80 -0.04 0.00 -1.01 0.00 0.00 55.97 57.37 1n4r s LYS 339 Cb -0.26 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 1n4r s LYS 339 CO 0.59 0.09 0.15 0.54 0.51 0.00 0.00 175.35 177.23 1n4r s VAL 340 N -0.58 5.40 -0.62 3.17 0.11 -1.26 -1.41 120.40 125.21 1n4r s VAL 340 Ca 0.48 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.24 1n4r s VAL 340 Cb -0.31 -3.44 0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1n4r s VAL 340 CO 0.38 0.46 1.22 -2.28 -3.33 0.00 0.00 175.10 171.56 1n4r s HIS 341 N -1.18 2.52 0.61 1.54 2.46 0.27 -4.76 115.29 116.75 1n4r s HIS 341 Ca 0.21 0.31 0.30 0.00 0.47 0.00 0.00 55.06 56.35 1n4r s HIS 341 Cb -0.12 -4.54 1.64 0.00 -0.13 0.00 0.00 32.58 29.43 1n4r s HIS 341 CO 0.12 -1.72 2.01 -1.00 -2.47 0.00 0.00 174.74 171.67 1n4r h PRO 342 N 9.71 0.00 0.00 2.88 0.13 -1.92 -0.71 132.00 142.09 1n4r h PRO 342 Ca -0.26 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.50 1n4r h PRO 342 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1n4r h PRO 342 CO 1.21 0.00 -2.40 0.00 -0.23 0.00 0.00 178.00 176.58 1n4r n ALA 343 N -2.20 1.49 0.40 -0.56 0.00 -1.26 -4.49 120.51 113.88 1n4r n ALA 343 Ca 0.02 -1.31 0.11 0.00 0.00 0.00 0.00 53.44 52.27 1n4r n ALA 343 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1n4r n ALA 343 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n4r n LEU 344 N -2.81 0.60 -3.17 0.00 7.94 -1.13 -4.89 117.00 113.54 1n4r n LEU 344 Ca -0.34 0.07 -0.16 0.00 -1.11 0.00 0.00 56.01 54.47 1n4r n LEU 344 Cb 1.14 -0.08 0.08 0.00 0.53 0.00 0.00 43.42 45.08 1n4r n LEU 344 CO 0.41 -0.02 0.13 -3.20 -1.11 0.00 0.00 177.39 173.60 1n4r n ASN 345 N -2.17 -2.92 -4.05 1.96 5.15 -0.29 -5.03 115.26 107.92 1n4r n ASN 345 Ca 0.01 -0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 53.36 1n4r n ASN 345 Cb 0.48 -4.57 -0.08 0.00 -0.53 0.00 0.00 39.78 35.08 1n4r n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1n4r s VAL 346 N -3.31 0.05 0.60 3.44 -7.23 -1.25 -5.00 120.40 107.71 1n4r s VAL 346 Ca 0.12 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 1n4r s VAL 346 Cb -0.05 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1n4r s VAL 346 CO 0.64 -0.24 1.13 -0.94 -0.31 0.00 0.00 175.10 175.38 1n4r s SER 347 N -3.03 5.39 0.37 4.85 1.04 -1.26 -0.57 113.70 120.49 1n4r s SER 347 Ca 0.24 2.12 0.05 0.00 0.48 0.00 0.00 55.95 58.83 1n4r s SER 347 Cb 0.04 -2.57 0.74 0.00 0.10 0.00 0.00 66.02 64.33 1n4r s SER 347 CO 0.04 -1.44 2.01 0.71 0.98 0.00 0.00 173.24 175.54 1n4r h THR 348 N 0.65 1.10 -0.50 2.02 1.35 -1.53 0.10 112.91 116.10 1n4r h THR 348 Ca -0.49 -0.25 0.07 0.00 -0.55 0.00 0.00 66.41 65.19 1n4r h THR 348 Cb 1.26 0.30 -0.06 0.00 -1.73 0.00 0.00 68.15 67.92 1n4r h THR 348 CO 0.55 0.13 0.16 -0.09 -0.25 0.00 0.00 175.52 176.03 1n4r h ARG 349 N 0.74 0.31 -0.45 4.72 2.43 -1.91 0.52 114.38 120.74 1n4r h ARG 349 Ca 0.23 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1n4r h ARG 349 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1n4r h ARG 349 CO -0.06 0.21 -0.02 1.15 -1.51 0.00 0.00 179.97 179.74 1n4r h THR 350 N 0.32 1.26 -0.85 0.20 2.02 -1.32 -0.23 112.91 114.32 1n4r h THR 350 Ca 0.24 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1n4r h THR 350 Cb 0.28 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1n4r h THR 350 CO -0.26 0.37 0.48 0.77 0.37 0.00 0.00 175.52 177.25 1n4r h SER 351 N 0.66 1.04 -0.10 4.18 4.64 -0.11 -0.21 113.55 123.64 1n4r h SER 351 Ca 0.13 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1n4r h SER 351 Cb 0.52 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1n4r h SER 351 CO 0.03 0.83 0.05 -0.33 -0.87 0.00 0.00 176.83 176.53 1n4r h GLU 352 N 1.17 0.15 -0.44 4.77 5.08 0.28 -1.99 114.58 123.61 1n4r h GLU 352 Ca 0.30 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 1n4r h GLU 352 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1n4r h GLU 352 CO -0.05 0.23 0.30 -0.09 -1.00 0.00 0.00 179.01 178.40 1n4r h ARG 353 N 0.04 0.28 -0.15 2.33 2.43 -0.52 0.19 114.38 118.98 1n4r h ARG 353 Ca 0.04 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1n4r h ARG 353 Cb 0.13 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1n4r h ARG 353 CO -0.00 0.18 -0.36 1.25 -1.51 0.00 0.00 179.97 179.53 1n4r h LEU 354 N 0.29 0.33 -0.14 3.80 5.85 -0.46 -1.98 115.31 122.99 1n4r h LEU 354 Ca 0.20 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1n4r h LEU 354 Cb 0.42 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1n4r h LEU 354 CO -0.04 0.67 0.03 0.03 -0.34 0.00 0.00 178.44 178.78 1n4r h ARG 355 N 0.27 0.23 -0.72 1.25 -0.00 0.07 -1.02 114.38 114.46 1n4r h ARG 355 Ca 0.03 -0.06 0.08 0.00 -0.50 0.00 0.00 59.98 59.53 1n4r h ARG 355 Cb 0.77 -0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.64 1n4r h ARG 355 CO 0.06 0.40 0.38 -0.44 0.00 0.00 0.00 179.97 180.38 1n4r h ASP 356 N 0.01 0.54 -0.13 7.04 3.32 -1.20 -0.84 116.42 125.16 1n4r h ASP 356 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n4r h ASP 356 Cb 0.28 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1n4r h ASP 356 CO 0.00 0.32 0.08 0.25 -1.72 0.00 0.00 179.24 178.17 1n4r h LEU 357 N 0.67 0.12 -0.76 1.55 6.46 -1.11 -1.24 115.31 121.01 1n4r h LEU 357 Ca 0.34 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1n4r h LEU 357 Cb 0.30 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1n4r h LEU 357 CO -0.23 0.09 0.50 0.45 -0.62 0.00 0.00 178.44 178.63 1n4r h HIS 358 N 0.16 0.95 0.39 1.25 3.86 -0.45 -2.42 115.15 118.88 1n4r h HIS 358 Ca 0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1n4r h HIS 358 Cb -0.00 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1n4r h HIS 358 CO -0.08 0.59 -0.32 1.96 0.86 0.00 0.00 177.93 180.94 1n4r h GLN 359 N 1.02 -0.68 -0.96 2.45 7.50 -0.80 -2.53 115.11 121.10 1n4r h GLN 359 Ca 0.28 0.05 0.21 0.00 0.50 0.00 0.00 58.65 59.69 1n4r h GLN 359 Cb -0.10 0.16 -0.11 0.00 0.05 0.00 0.00 27.48 27.47 1n4r h GLN 359 CO -0.07 -0.45 0.54 0.66 -1.50 0.00 0.00 178.83 178.01 1n4r h SER 360 N -0.71 0.63 -0.38 1.46 4.64 -0.97 -0.79 113.55 117.42 1n4r h SER 360 Ca -0.03 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1n4r h SER 360 Cb 0.62 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1n4r h SER 360 CO -0.02 0.15 0.22 -0.50 -0.87 0.00 0.00 176.83 175.82 1n4r h TRP 361 N 0.61 0.52 -0.32 4.77 6.55 -1.03 -3.34 115.95 123.71 1n4r h TRP 361 Ca 0.58 -0.01 -0.32 0.00 0.95 0.00 0.00 58.89 60.10 1n4r h TRP 361 Cb 1.01 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 29.13 1n4r h TRP 361 CO -0.04 0.39 1.03 1.63 -1.05 0.00 0.00 178.44 180.39 1n4r n LYS 362 N -4.76 1.25 0.00 0.49 4.01 -0.30 -5.14 118.16 113.71 1n4r n LYS 362 Ca -0.00 -2.21 0.00 0.00 -0.51 0.00 0.00 58.31 55.59 1n4r n LYS 362 Cb 0.07 -3.64 0.00 0.00 -0.51 0.00 0.00 35.03 30.95 1n4r n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54