#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 0.32 -0.37 -1.43 3.84 -1.26 -5.10 116.67 112.67 1n4r s ASP 19 Ca 0.00 -0.66 -0.29 0.00 -0.00 0.00 0.00 52.55 51.60 1n4r s ASP 19 Cb 0.00 0.14 0.01 0.00 -1.38 0.00 0.00 42.92 41.68 1n4r s ASP 19 CO 0.00 -0.40 1.38 0.12 -0.00 0.00 0.00 175.17 176.27 1n4r s PHE 20 N -2.28 2.48 -1.49 2.11 5.36 -1.26 -4.93 117.98 117.97 1n4r s PHE 20 Ca -0.08 0.73 -0.09 0.00 -0.96 0.00 0.00 56.93 56.52 1n4r s PHE 20 Cb -0.04 -4.18 0.01 0.00 -0.34 0.00 0.00 43.02 38.47 1n4r s PHE 20 CO -0.04 -1.93 2.62 1.28 -1.46 0.00 0.00 175.22 175.69 1n4r n LEU 21 N 8.43 8.17 -0.28 6.12 4.32 -1.26 -4.84 117.00 137.67 1n4r n LEU 21 Ca 0.16 -4.53 0.02 0.00 -0.02 0.00 0.00 56.01 51.65 1n4r n LEU 21 Cb 0.47 -1.50 0.10 0.00 -1.62 0.00 0.00 43.42 40.87 1n4r n LEU 21 CO 0.68 1.91 0.70 -0.09 -1.22 0.00 0.00 177.39 179.37 1n4r h ARG 22 N 5.05 -0.00 -0.68 3.23 2.43 -1.98 -1.74 114.38 120.69 1n4r h ARG 22 Ca 0.75 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.91 1n4r h ARG 22 Cb 0.36 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1n4r h ARG 22 CO 1.69 -0.00 0.37 -0.44 -1.51 0.00 0.00 179.97 180.08 1n4r h ASP 23 N -0.00 0.85 -0.47 -3.80 3.32 -2.00 -1.93 116.42 112.38 1n4r h ASP 23 Ca 0.38 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.40 1n4r h ASP 23 Cb 0.58 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1n4r h ASP 23 CO -0.82 0.70 0.17 -0.09 -1.72 0.00 0.00 179.24 177.47 1n4r h ARG 24 N 0.93 0.33 0.00 3.56 9.65 -1.74 -0.61 114.38 126.49 1n4r h ARG 24 Ca 0.24 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1n4r h ARG 24 Cb 0.04 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1n4r h ARG 24 CO -0.04 0.22 -0.17 0.45 2.80 0.00 0.00 179.97 183.23 1n4r h HIS 25 N 0.34 0.00 -0.37 2.20 3.86 -1.02 -0.53 115.15 119.63 1n4r h HIS 25 Ca 0.22 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.30 1n4r h HIS 25 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1n4r h HIS 25 CO -0.16 0.17 -0.28 0.28 0.86 0.00 0.00 177.93 178.80 1n4r h VAL 26 N 0.00 1.28 -0.49 2.45 2.07 -0.38 -1.79 116.25 119.40 1n4r h VAL 26 Ca -0.00 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 1n4r h VAL 26 Cb 0.34 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1n4r h VAL 26 CO 0.02 0.48 -0.12 0.03 0.02 0.00 0.00 177.57 178.01 1n4r h ARG 27 N 0.65 0.90 0.29 1.57 2.47 -0.45 -1.81 114.38 117.99 1n4r h ARG 27 Ca 0.07 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1n4r h ARG 27 Cb 0.86 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 1n4r h ARG 27 CO 0.07 0.97 -0.24 0.35 0.56 0.00 0.00 179.97 181.69 1n4r h PHE 28 N 0.81 -0.63 -0.40 3.04 3.57 -0.93 -0.01 116.94 122.40 1n4r h PHE 28 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1n4r h PHE 28 Cb 0.64 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1n4r h PHE 28 CO 0.04 -0.36 0.26 0.74 -2.23 0.00 0.00 178.31 176.77 1n4r h PHE 29 N -0.54 0.50 -0.38 0.41 0.05 -1.24 -1.44 116.94 114.32 1n4r h PHE 29 Ca -0.02 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 1n4r h PHE 29 Cb 0.48 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.24 1n4r h PHE 29 CO -0.14 0.32 0.20 1.96 -0.18 0.00 0.00 178.31 180.47 1n4r h GLN 30 N 0.54 0.53 -0.55 1.51 4.20 -0.70 -2.29 115.11 118.35 1n4r h GLN 30 Ca 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1n4r h GLN 30 Cb -0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1n4r h GLN 30 CO -0.03 0.44 0.32 -0.09 -0.67 0.00 0.00 178.83 178.80 1n4r h ARG 31 N 0.48 0.75 -0.79 1.46 2.43 0.01 -2.41 114.38 116.31 1n4r h ARG 31 Ca 0.13 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1n4r h ARG 31 Cb 0.06 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1n4r h ARG 31 CO -0.02 0.54 0.33 0.00 -1.51 0.00 0.00 179.97 179.31 1n4r h LEU 33 N 1.15 0.00 0.00 0.00 -0.00 -1.11 -3.41 115.31 111.93 1n4r h LEU 33 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1n4r h LEU 33 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1n4r h LEU 33 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.42 1n4r n GLN 34 N -3.05 0.00 -4.33 1.13 6.02 -0.96 -5.04 117.38 111.15 1n4r n GLN 34 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 1n4r n GLN 34 Cb 0.36 -0.01 -0.14 0.00 1.02 0.00 0.00 30.24 31.47 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 0.86 0.04 5.09 1.01 -1.24 -5.13 120.40 121.04 1n4r s VAL 35 Ca 0.00 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1n4r s VAL 35 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1n4r s VAL 35 CO 0.00 0.04 -0.25 -0.76 0.00 0.00 0.00 175.10 174.14 1n4r s LEU 36 N -0.78 2.25 0.81 3.92 1.43 -1.26 -4.88 118.68 120.17 1n4r s LEU 36 Ca 0.01 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1n4r s LEU 36 Cb -0.06 -1.33 0.08 0.00 0.03 0.00 0.00 46.19 44.91 1n4r s LEU 36 CO 0.00 0.26 1.10 -2.84 0.23 0.00 0.00 176.35 175.10 1n4r s PRO 37 N -1.26 1.91 0.23 1.29 0.02 -1.26 -4.88 135.00 131.04 1n4r s PRO 37 Ca 0.12 1.15 0.15 0.00 0.02 0.00 0.00 61.00 62.44 1n4r s PRO 37 Cb -0.10 -1.86 0.79 0.00 0.02 0.00 0.00 34.50 33.35 1n4r s PRO 37 CO 0.03 -1.88 1.43 -1.91 -0.33 0.00 0.00 177.00 174.33 1n4r n GLU 38 N -3.68 0.09 0.31 5.54 2.13 -1.26 -1.70 120.64 122.07 1n4r n GLU 38 Ca 0.09 0.58 0.19 0.00 0.66 0.00 0.00 57.16 58.68 1n4r n GLU 38 Cb 0.53 -1.86 1.02 0.00 0.27 0.00 0.00 31.44 31.41 1n4r n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n4r h ARG 39 N 0.00 0.00 -0.59 5.31 3.08 -2.06 -2.38 114.38 117.75 1n4r h ARG 39 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1n4r h ARG 39 Cb 0.09 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 1n4r h ARG 39 CO 0.00 0.02 0.17 0.66 -1.07 0.00 0.00 179.97 179.75 1n4r n TYR 40 N -3.41 1.96 0.15 3.04 4.02 -0.69 -4.62 117.16 117.61 1n4r n TYR 40 Ca -0.03 -1.22 0.18 0.00 -0.01 0.00 0.00 57.90 56.82 1n4r n TYR 40 Cb 0.11 -0.59 0.77 0.00 -0.02 0.00 0.00 39.34 39.61 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 2.19 0.00 0.50 7.72 4.64 -1.63 -0.84 113.55 126.14 1n4r h SER 41 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1n4r h SER 41 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1n4r h SER 41 CO 0.59 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1n4r n SER 42 N -3.96 0.49 -0.27 4.97 3.41 -1.26 -1.91 113.62 115.08 1n4r n SER 42 Ca 0.04 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1n4r n SER 42 Cb 0.41 -0.74 0.31 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.06 1.15 -0.23 1.04 4.77 -0.32 -4.54 117.00 116.81 1n4r n LEU 43 Ca 0.02 -0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 55.57 1n4r n LEU 43 Cb 0.17 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1n4r n LEU 43 CO 0.15 0.22 0.54 -0.08 -1.33 0.00 0.00 177.39 176.89 1n4r h GLU 44 N 1.33 -0.22 0.00 3.23 4.57 -1.53 0.71 114.58 122.67 1n4r h GLU 44 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n4r h GLU 44 Cb 0.54 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1n4r h GLU 44 CO 0.00 -0.15 0.00 0.25 -1.18 0.00 0.00 179.01 177.93 1n4r n THR 45 N -5.38 0.00 -2.68 0.32 -2.24 -1.26 -2.76 114.28 100.27 1n4r n THR 45 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1n4r n THR 45 Cb 0.34 -0.47 0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.77 1.03 0.17 3.42 3.41 0.14 -4.05 113.62 116.96 1n4r n SER 46 Ca 0.08 -2.03 0.04 0.00 -0.26 0.00 0.00 58.87 56.70 1n4r n SER 46 Cb 0.04 -0.29 0.46 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.86 0.13 -0.01 4.33 3.08 -1.08 -2.21 114.38 120.48 1n4r h ARG 47 Ca -0.21 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1n4r h ARG 47 Cb 1.47 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 1n4r h ARG 47 CO 0.10 0.26 -0.09 1.25 -1.07 0.00 0.00 179.97 180.42 1n4r h LEU 48 N 0.12 0.01 -0.25 3.04 5.85 -1.58 0.28 115.31 122.78 1n4r h LEU 48 Ca 0.03 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1n4r h LEU 48 Cb 0.30 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1n4r h LEU 48 CO 0.02 0.11 -0.64 0.71 -0.34 0.00 0.00 178.44 178.29 1n4r h THR 49 N 0.01 1.18 -0.18 1.05 1.35 -1.70 -1.11 112.91 113.52 1n4r h THR 49 Ca 0.00 -2.45 -0.18 0.00 -0.55 0.00 0.00 66.41 63.24 1n4r h THR 49 Cb 0.17 2.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1n4r h THR 49 CO 0.01 0.63 -0.61 0.40 -0.25 0.00 0.00 175.52 175.70 1n4r h ILE 50 N 0.00 1.32 -0.23 6.82 1.08 -1.17 -1.39 117.51 123.94 1n4r h ILE 50 Ca -0.01 -1.87 -0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1n4r h ILE 50 Cb 1.39 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 36.96 1n4r h ILE 50 CO 0.08 0.58 0.14 0.00 -0.69 0.00 0.00 178.15 178.27 1n4r h ALA 51 N 0.88 0.30 -0.28 1.87 0.00 -0.80 -2.14 119.26 119.09 1n4r h ALA 51 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1n4r h ALA 51 Cb 1.18 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1n4r h ALA 51 CO 0.12 -0.20 -0.10 0.35 0.00 0.00 0.00 179.25 179.41 1n4r h PHE 52 N 0.29 -0.24 -0.91 0.00 3.57 -0.95 0.21 116.94 118.92 1n4r h PHE 52 Ca 0.08 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1n4r h PHE 52 Cb 0.01 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1n4r h PHE 52 CO -0.05 -0.16 0.59 0.74 -2.23 0.00 0.00 178.31 177.20 1n4r h PHE 53 N -0.05 1.05 0.01 0.41 0.05 -0.96 0.38 116.94 117.82 1n4r h PHE 53 Ca 0.14 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.90 1n4r h PHE 53 Cb 0.27 -0.34 0.01 0.00 2.00 0.00 0.00 35.95 37.88 1n4r h PHE 53 CO -0.30 0.54 -0.24 0.00 -0.18 0.00 0.00 178.31 178.13 1n4r h ALA 54 N 1.51 0.01 0.11 2.45 0.00 -0.68 -1.37 119.26 121.30 1n4r h ALA 54 Ca 0.39 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1n4r h ALA 54 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n4r h ALA 54 CO -0.15 0.08 -0.05 -0.07 0.00 0.00 0.00 179.25 179.05 1n4r h LEU 55 N -0.60 -0.13 -1.24 0.00 3.38 -0.49 0.39 115.31 116.64 1n4r h LEU 55 Ca -0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1n4r h LEU 55 Cb 1.04 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1n4r h LEU 55 CO 0.05 0.10 0.14 -1.28 0.09 0.00 0.00 178.44 177.53 1n4r h SER 56 N -0.36 0.61 -0.13 -0.43 0.87 -1.07 0.29 113.55 113.33 1n4r h SER 56 Ca -0.02 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1n4r h SER 56 Cb 0.29 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1n4r h SER 56 CO 0.03 0.59 0.06 1.23 -0.53 0.00 0.00 176.83 178.21 1n4r h GLY 57 N 0.85 0.20 0.98 5.77 0.00 -0.87 0.17 103.07 110.17 1n4r h GLY 57 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1n4r h GLY 57 CO -0.01 0.10 0.27 1.41 0.00 0.00 0.00 176.54 178.31 1n4r h LEU 58 N 0.08 0.61 -0.52 3.11 3.38 0.48 -1.88 115.31 120.57 1n4r h LEU 58 Ca 0.04 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1n4r h LEU 58 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1n4r h LEU 58 CO -0.01 0.52 0.25 -0.78 0.09 0.00 0.00 178.44 178.52 1n4r h ASP 59 N 0.65 0.35 0.09 -0.43 -0.00 -0.20 0.13 116.42 117.02 1n4r h ASP 59 Ca 0.17 0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.23 1n4r h ASP 59 Cb 0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1n4r h ASP 59 CO -0.03 0.24 -0.04 -0.03 -0.00 0.00 0.00 179.24 179.39 1n4r h MET 60 N 0.49 0.00 -0.44 0.28 4.05 -0.13 0.45 114.93 119.63 1n4r h MET 60 Ca 0.24 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1n4r h MET 60 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1n4r h MET 60 CO -0.18 0.04 0.00 1.28 0.23 0.00 0.00 176.91 178.28 1n4r n LEU 61 N -3.88 3.51 -3.52 3.39 4.77 -0.05 -1.59 117.00 119.63 1n4r n LEU 61 Ca -0.03 -1.60 -0.24 0.00 -0.03 0.00 0.00 56.01 54.11 1n4r n LEU 61 Cb 0.12 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1n4r n LEU 61 CO 0.29 0.78 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.44 1n4r n ASP 62 N 1.47 -5.89 -0.83 -1.43 2.03 0.27 -4.93 116.55 107.24 1n4r n ASP 62 Ca 0.20 -0.86 0.01 0.00 0.52 0.00 0.00 54.79 54.66 1n4r n ASP 62 Cb 0.60 -3.96 0.01 0.00 -0.72 0.00 0.00 41.12 37.05 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 -2.74 0.32 0.21 1.67 7.64 -0.46 -4.87 113.62 115.38 1n4r n SER 63 Ca -0.09 -1.99 0.14 0.00 1.01 0.00 0.00 58.87 57.95 1n4r n SER 63 Cb 0.60 -0.23 0.76 0.00 -1.01 0.00 0.00 64.21 64.33 1n4r n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1n4r h LEU 64 N 0.33 0.00 -1.88 -3.43 3.38 -1.91 -2.13 115.31 109.67 1n4r h LEU 64 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1n4r h LEU 64 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1n4r h LEU 64 CO 0.03 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 176.29 1n4r h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -2.86 116.42 113.20 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 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1n4r h ASP 65 CO 0.00 0.03 0.00 1.33 -1.03 0.00 0.00 179.24 179.57 1n4r n VAL 66 N -3.18 0.00 -4.21 4.15 0.24 -0.80 -4.79 118.33 109.74 1n4r n VAL 66 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1n4r n VAL 66 Cb 0.25 -0.06 -0.10 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.92 0.83 -1.10 3.34 -7.23 -1.08 -5.09 120.40 108.15 1n4r s VAL 67 Ca 0.00 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 1n4r s VAL 67 Cb 0.00 -1.81 0.17 0.00 0.56 0.00 0.00 36.38 35.30 1n4r s VAL 67 CO 0.00 -0.77 1.30 0.21 -0.31 0.00 0.00 175.10 175.53 1n4r s ASN 68 N -3.10 6.94 0.33 4.85 3.84 -1.26 -4.89 114.94 121.65 1n4r s ASN 68 Ca 0.15 -2.73 0.11 0.00 0.21 0.00 0.00 52.86 50.60 1n4r s ASN 68 Cb 0.05 -2.38 1.02 0.00 -0.55 0.00 0.00 41.25 39.38 1n4r s ASN 68 CO -0.02 -0.81 1.60 0.11 -2.79 0.00 0.00 177.10 175.19 1n4r h LYS 69 N 7.66 0.08 -0.47 0.43 1.57 -1.94 -0.12 116.57 123.78 1n4r h LYS 69 Ca 0.25 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1n4r h LYS 69 Cb 0.93 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1n4r h LYS 69 CO 1.17 0.05 0.10 -0.44 -0.57 0.00 0.00 179.45 179.76 1n4r h ASP 70 N 0.08 0.72 0.06 0.86 3.32 -1.92 -1.29 116.42 118.25 1n4r h ASP 70 Ca 0.71 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.51 1n4r h ASP 70 Cb 1.66 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1n4r h ASP 70 CO -0.78 0.78 -0.03 0.44 -1.72 0.00 0.00 179.24 177.93 1n4r h ASP 71 N 0.64 -0.06 -0.90 6.45 3.32 -1.45 -2.68 116.42 121.73 1n4r h ASP 71 Ca 0.15 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1n4r h ASP 71 Cb 0.35 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1n4r h ASP 71 CO 0.00 0.12 0.59 0.40 -1.72 0.00 0.00 179.24 178.64 1n4r h ILE 72 N -0.25 1.09 -0.66 0.35 2.04 -1.39 -1.31 117.51 117.38 1n4r h ILE 72 Ca -0.01 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1n4r h ILE 72 Cb 0.22 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1n4r h ILE 72 CO 0.01 0.19 0.26 0.40 0.00 0.00 0.00 178.15 179.01 1n4r h ILE 73 N 1.05 1.23 -0.37 -0.67 2.04 -1.10 -0.69 117.51 118.99 1n4r h ILE 73 Ca 0.38 -0.72 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 1n4r h ILE 73 Cb 0.14 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1n4r h ILE 73 CO -0.13 0.29 -0.31 -0.33 0.00 0.00 0.00 178.15 177.66 1n4r h GLU 74 N 0.95 0.82 -0.15 2.37 4.39 -0.94 -1.61 114.58 120.40 1n4r h GLU 74 Ca 0.22 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1n4r h GLU 74 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1n4r h GLU 74 CO -0.02 1.02 0.09 2.35 -1.16 0.00 0.00 179.01 181.28 1n4r h TRP 75 N 0.69 0.21 -0.23 4.33 7.01 -0.81 -1.78 115.95 125.37 1n4r h TRP 75 Ca 0.08 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1n4r h TRP 75 Cb 0.86 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1n4r h TRP 75 CO 0.05 0.20 0.09 0.82 -2.79 0.00 0.00 178.44 176.80 1n4r h ILE 76 N 0.16 0.95 0.00 2.65 2.04 -1.02 -1.83 117.51 120.46 1n4r h ILE 76 Ca 0.05 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1n4r h ILE 76 Cb 0.05 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1n4r h ILE 76 CO -0.01 0.04 -0.01 1.88 0.00 0.00 0.00 178.15 180.05 1n4r h TYR 77 N 0.20 0.00 0.00 1.37 0.05 -1.06 0.63 116.97 118.16 1n4r h TYR 77 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1n4r h TYR 77 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1n4r h TYR 77 CO -0.12 0.01 0.00 -1.13 -1.05 0.00 0.00 178.16 175.87 1n4r n SER 78 N -3.15 0.09 -0.31 3.88 3.41 -0.69 -2.44 113.62 114.41 1n4r n SER 78 Ca -0.02 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1n4r n SER 78 Cb 0.16 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.59 1.38 -4.72 1.04 4.77 0.21 -4.61 117.00 113.48 1n4r n LEU 79 Ca 0.05 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1n4r n LEU 79 Cb 0.28 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1n4r n LEU 79 CO 0.22 0.26 0.78 -1.58 -1.33 0.00 0.00 177.39 175.74 1n4r s GLN 80 N -2.56 4.54 -0.59 3.23 0.74 -1.08 -0.19 119.66 123.75 1n4r s GLN 80 Ca 0.20 1.62 -0.20 0.00 0.05 0.00 0.00 55.36 57.02 1n4r s GLN 80 Cb 0.18 -3.37 0.08 0.00 1.10 0.00 0.00 33.01 31.01 1n4r s GLN 80 CO 0.58 -0.05 0.78 0.08 -0.55 0.00 0.00 175.29 176.12 1n4r s VAL 81 N 0.58 4.67 0.37 1.34 1.01 0.10 -4.89 120.40 123.57 1n4r s VAL 81 Ca 0.53 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1n4r s VAL 81 Cb -0.26 -4.51 -0.06 0.00 0.00 0.00 0.00 36.38 31.54 1n4r s VAL 81 CO 0.30 -1.15 0.72 -0.76 0.00 0.00 0.00 175.10 174.21 1n4r s LEU 82 N 3.14 3.91 0.56 3.92 1.43 -1.26 -3.17 118.68 127.20 1n4r s LEU 82 Ca 0.16 1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 54.14 1n4r s LEU 82 Cb -0.20 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 1n4r s LEU 82 CO 0.09 -0.33 1.14 -2.16 0.23 0.00 0.00 176.35 175.32 1n4r s PRO 83 N -3.66 3.26 0.81 1.29 0.04 -1.26 -4.48 135.00 131.01 1n4r s PRO 83 Ca 0.50 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 1n4r s PRO 83 Cb -0.10 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.54 1n4r s PRO 83 CO 0.29 -0.93 1.17 0.95 0.04 0.00 0.00 177.00 178.53 1n4r s THR 84 N -1.78 2.03 0.18 1.26 -4.23 -1.26 -3.31 115.64 108.53 1n4r s THR 84 Ca 0.73 -0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.00 1n4r s THR 84 Cb -0.25 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.71 1n4r s THR 84 CO 0.29 0.00 1.60 1.05 -0.54 0.00 0.00 174.62 177.01 1n4r h GLU 85 N -1.06 -0.17 -0.09 3.99 9.09 -1.96 0.30 114.58 124.67 1n4r h GLU 85 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1n4r h GLU 85 Cb 1.32 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1n4r h GLU 85 CO 0.62 -0.11 0.00 -0.40 0.05 0.00 0.00 179.01 179.17 1n4r n ASP 86 N -5.43 0.09 -3.63 3.06 3.85 -1.26 -4.87 116.55 108.36 1n4r n ASP 86 Ca 0.03 -1.66 -0.24 0.00 -0.71 0.00 0.00 54.79 52.21 1n4r n ASP 86 Cb 0.34 -0.05 -0.04 0.00 -1.35 0.00 0.00 41.12 40.03 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 -0.43 -1.89 0.00 0.11 1.74 0.10 -4.79 116.66 111.50 1n4r n ARG 87 Ca 0.00 0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.34 1n4r n ARG 87 Cb 0.02 -4.69 0.48 0.00 -1.02 0.00 0.00 32.46 27.25 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 -2.07 1.42 -0.90 0.55 3.41 -1.26 -4.07 113.62 110.69 1n4r n SER 88 Ca 0.06 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1n4r n SER 88 Cb 0.48 0.03 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 -0.00 2.30 -0.23 4.04 6.94 -1.26 -4.80 115.26 122.24 1n4r n ASN 89 Ca 0.17 -3.83 -0.01 0.00 -0.02 0.00 0.00 54.58 50.90 1n4r n ASN 89 Cb 0.36 -0.49 0.20 0.00 -2.36 0.00 0.00 39.78 37.49 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 1.23 0.91 0.00 -4.53 3.38 -1.95 -1.82 115.31 112.52 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 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1n4r h LEU 90 CO 0.15 0.71 0.00 0.47 0.09 0.00 0.00 178.44 179.86 1n4r n ASP 91 N -4.38 0.00 -0.03 -0.43 8.00 -1.26 -2.48 116.55 115.98 1n4r n ASP 91 Ca 0.08 -0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.38 1n4r n ASP 91 Cb 0.08 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.09 2.78 -2.43 -1.24 1.74 -0.69 -4.65 116.66 111.08 1n4r n ARG 92 Ca 0.08 -1.65 -0.30 0.00 -0.77 0.00 0.00 57.85 55.21 1n4r n ARG 92 Cb 0.06 -1.07 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.08 0.18 3.33 0.00 0.00 -1.19 -4.47 105.19 100.96 1n4r n GLY 94 Ca 0.03 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 1.87 0.27 1.61 0.40 -1.26 0.00 117.98 116.87 1n4r s PHE 95 Ca 0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1n4r s PHE 95 Cb 0.00 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1n4r s PHE 95 CO 0.00 0.33 0.46 1.03 0.70 0.00 0.00 175.22 177.74 1n4r s ARG 96 N -2.62 3.51 0.28 0.44 0.52 0.74 -0.99 118.95 120.82 1n4r s ARG 96 Ca 0.15 -0.36 0.14 0.00 -0.52 0.00 0.00 55.73 55.13 1n4r s ARG 96 Cb -0.07 -2.76 0.30 0.00 0.52 0.00 0.00 34.95 32.94 1n4r s ARG 96 CO 0.06 0.29 1.55 0.78 0.02 0.00 0.00 175.30 178.01 1n4r h GLY 97 N 1.38 0.00 -0.18 -3.53 0.00 -1.89 -3.46 103.07 95.40 1n4r h GLY 97 Ca -0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1n4r h GLY 97 CO 0.64 0.00 0.08 -1.14 0.00 0.00 0.00 176.54 176.12 1n4r n SER 98 N -3.48 -0.21 -1.57 0.19 3.41 -1.26 -1.51 113.62 109.19 1n4r n SER 98 Ca 0.00 -1.10 0.06 0.00 -0.26 0.00 0.00 58.87 57.56 1n4r n SER 98 Cb 0.67 0.34 0.32 0.00 -0.26 0.00 0.00 64.21 65.27 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 -0.63 4.65 0.32 4.04 3.41 -1.26 -4.63 113.62 119.52 1n4r n SER 99 Ca -0.00 -2.69 0.15 0.00 -0.26 0.00 0.00 58.87 56.07 1n4r n SER 99 Cb 0.07 -0.63 0.75 0.00 -0.26 0.00 0.00 64.21 64.14 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 3.19 0.00 0.00 7.33 -0.00 -1.96 -0.43 116.97 125.11 1n4r h TYR 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1n4r h TYR 100 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.35 1n4r h TYR 100 CO 0.84 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.93 1n4r h LEU 101 N 0.00 0.00 -0.20 0.10 3.38 -2.01 -3.47 115.31 113.10 1n4r h LEU 101 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n4r h LEU 101 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1n4r h LEU 101 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1n4r n GLY 102 N 1.00 0.76 3.76 0.83 0.00 -0.17 -5.05 105.19 106.33 1n4r n GLY 102 Ca 0.05 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.20 4.95 0.04 -0.61 1.01 -1.26 -5.00 121.20 118.12 1n4r s ILE 103 Ca 0.00 1.21 -0.36 0.00 0.00 0.00 0.00 60.65 61.50 1n4r s ILE 103 Cb 0.00 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1n4r s ILE 103 CO 0.00 0.41 1.55 -0.81 0.00 0.00 0.00 174.94 176.09 1n4r n PRO 104 N 2.84 1.64 -1.43 2.79 -0.04 -1.26 -4.81 135.00 134.73 1n4r n PRO 104 Ca -0.07 0.59 -0.54 0.00 -0.04 0.00 0.00 63.50 63.45 1n4r n PRO 104 Cb 0.51 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 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 3.81 1.54 -3.49 0.54 7.35 -1.26 -4.92 117.46 121.02 1n4r n PHE 105 Ca 0.20 0.43 -0.27 0.00 -0.76 0.00 0.00 57.45 57.04 1n4r n PHE 105 Cb 0.23 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.46 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 6.56 3.09 -0.64 -2.13 2.47 -1.26 -5.06 114.94 117.97 1n4r s ASN 106 Ca 1.11 -1.54 -0.25 0.00 0.42 0.00 0.00 52.86 52.59 1n4r s ASN 106 Cb -1.04 -0.25 -0.22 0.00 -1.45 0.00 0.00 41.25 38.29 1n4r s ASN 106 CO 0.55 -0.39 1.84 -0.81 -3.72 0.00 0.00 177.10 174.58 1n4r n PRO 107 N 4.83 0.93 -4.27 0.43 -0.04 -1.26 -4.21 135.00 131.40 1n4r n PRO 107 Ca 0.01 -1.68 -0.32 0.00 -0.04 0.00 0.00 63.50 61.47 1n4r n PRO 107 Cb 0.41 -3.02 -0.08 0.00 -0.04 0.00 0.00 33.50 30.77 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 10.29 -0.05 0.00 3.54 7.64 -1.02 -4.78 113.62 129.24 1n4r n SER 108 Ca 0.47 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1n4r n SER 108 Cb 0.43 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.64 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 -4.45 0.00 -0.38 1.43 5.02 -1.26 -5.05 118.16 113.47 1n4r n LYS 109 Ca -0.23 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.80 1n4r n LYS 109 Cb 0.64 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.89 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 -3.38 -3.69 4.39 2.04 -1.26 -5.02 115.26 108.34 1n4r n ASN 110 Ca 0.00 -0.58 0.00 0.00 -0.44 0.00 0.00 54.58 53.56 1n4r n ASN 110 Cb 0.00 -0.97 0.00 0.00 -2.53 0.00 0.00 39.78 36.28 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 -4.23 2.30 -4.17 -0.53 -0.07 -1.26 -4.99 135.00 122.05 1n4r n PRO 111 Ca 0.09 0.00 -0.34 0.00 -0.07 0.00 0.00 63.50 63.17 1n4r n PRO 111 Cb 0.52 0.00 -0.11 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 -0.01 1.82 -0.76 1.68 0.00 -1.21 -4.92 107.32 103.93 1n4r s GLY 112 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 1n4r s GLY 112 CO 0.00 0.02 1.11 -1.08 0.00 0.00 0.00 173.10 173.14 1n4r s THR 113 N 0.40 4.22 0.15 0.90 -1.32 -1.26 -4.64 115.64 114.09 1n4r s THR 113 Ca 0.00 -0.45 -0.32 0.00 -1.21 0.00 0.00 61.69 59.72 1n4r s THR 113 Cb -0.13 -4.79 -0.17 0.00 -1.51 0.00 0.00 72.50 65.90 1n4r s THR 113 CO 0.01 -1.60 0.80 0.00 -2.21 0.00 0.00 174.62 171.62 1n4r n ALA 114 N 7.98 -2.59 -3.68 11.08 0.00 -1.26 -5.00 120.51 127.04 1n4r n ALA 114 Ca 0.06 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1n4r n ALA 114 Cb 0.47 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.62 -0.69 0.39 0.00 5.04 -1.26 -5.07 115.29 113.09 1n4r s HIS 115 Ca 0.72 1.42 0.22 0.00 -1.54 0.00 0.00 55.06 55.88 1n4r s HIS 115 Cb -0.99 0.31 1.23 0.00 0.04 0.00 0.00 32.58 33.17 1n4r s HIS 115 CO 0.56 -0.39 1.67 -1.35 -2.34 0.00 0.00 174.74 172.89 1n4r h PRO 116 N 7.36 0.24 0.00 2.88 0.11 -2.05 -2.87 132.00 137.67 1n4r h PRO 116 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.24 0.16 -0.04 0.66 -0.21 0.00 0.00 178.00 178.81 1n4r n TYR 117 N -4.80 0.00 -3.26 0.65 4.01 -1.26 -5.02 117.16 107.47 1n4r n TYR 117 Ca 0.32 -0.65 -0.39 0.00 -0.16 0.00 0.00 57.90 57.03 1n4r n TYR 117 Cb 1.14 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 40.01 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 -1.75 6.55 0.15 7.72 2.15 -1.08 -5.03 116.67 125.38 1n4r s ASP 118 Ca 0.14 0.66 -0.25 0.00 0.43 0.00 0.00 52.55 53.54 1n4r s ASP 118 Cb 0.12 -2.29 0.06 0.00 -0.30 0.00 0.00 42.92 40.52 1n4r s ASP 118 CO 0.01 -0.16 0.85 -0.94 -0.17 0.00 0.00 175.17 174.76 1n4r s SER 119 N 1.12 -0.28 0.92 -0.34 1.04 -1.26 -4.87 113.70 110.02 1n4r s SER 119 Ca 0.24 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1n4r s SER 119 Cb -0.15 0.53 0.14 0.00 0.10 0.00 0.00 66.02 66.64 1n4r s SER 119 CO 0.09 -0.95 1.15 -0.83 0.98 0.00 0.00 173.24 173.69 1n4r s GLY 120 N -2.82 1.59 -0.09 7.32 0.00 -0.53 -4.70 107.32 108.10 1n4r s GLY 120 Ca 0.09 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 1n4r s GLY 120 CO -0.01 -0.02 -0.05 -1.58 0.00 0.00 0.00 173.10 171.44 1n4r s HIS 121 N -3.34 1.14 0.35 1.90 5.04 -0.16 -4.58 115.29 115.64 1n4r s HIS 121 Ca 0.65 -0.48 0.14 0.00 -1.54 0.00 0.00 55.06 53.83 1n4r s HIS 121 Cb -0.13 -1.01 1.02 0.00 0.04 0.00 0.00 32.58 32.49 1n4r s HIS 121 CO 0.53 -0.39 1.71 0.97 -2.34 0.00 0.00 174.74 175.22 1n4r h ILE 122 N 6.19 0.44 0.00 0.89 2.10 -1.02 0.44 117.51 126.55 1n4r h ILE 122 Ca -0.28 -0.15 -0.02 0.00 1.08 0.00 0.00 64.86 65.48 1n4r h ILE 122 Cb 1.14 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.82 1n4r h ILE 122 CO 0.38 0.08 -0.12 0.00 -1.08 0.00 0.00 178.15 177.41 1n4r h ALA 123 N 1.73 0.98 0.11 0.18 0.00 -1.95 -2.14 119.26 118.18 1n4r h ALA 123 Ca 0.67 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 55.16 1n4r h ALA 123 Cb 1.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1n4r h ALA 123 CO -0.47 0.15 -1.59 0.52 0.00 0.00 0.00 179.25 177.86 1n4r h MET 124 N 0.00 0.24 -0.70 0.00 2.86 -0.49 -2.00 114.93 114.83 1n4r h MET 124 Ca -0.00 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.18 1n4r h MET 124 Cb 0.78 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1n4r h MET 124 CO 0.02 1.09 0.25 1.15 1.06 0.00 0.00 176.91 180.47 1n4r h THR 125 N 0.07 1.25 0.79 2.22 2.02 -0.93 0.44 112.91 118.77 1n4r h THR 125 Ca -0.26 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1n4r h THR 125 Cb 2.02 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1n4r h THR 125 CO 0.15 0.32 -0.38 0.22 0.37 0.00 0.00 175.52 176.21 1n4r h TYR 126 N 1.01 -0.98 0.00 3.16 3.20 -1.44 -1.96 116.97 119.96 1n4r h TYR 126 Ca 0.23 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1n4r h TYR 126 Cb 0.25 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1n4r h TYR 126 CO 0.02 -0.61 -0.12 1.79 -1.64 0.00 0.00 178.16 177.60 1n4r h THR 127 N -1.29 0.88 0.70 1.81 1.35 -1.33 -0.73 112.91 114.30 1n4r h THR 127 Ca -0.11 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.27 1n4r h THR 127 Cb 0.81 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1n4r h THR 127 CO 0.18 0.12 -0.33 1.23 -0.25 0.00 0.00 175.52 176.46 1n4r h GLY 128 N 0.49 -0.98 0.57 5.82 0.00 -0.05 0.92 103.07 109.84 1n4r h GLY 128 Ca -0.00 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.76 1n4r h GLY 128 CO 0.02 -0.35 0.31 1.41 0.00 0.00 0.00 176.54 177.92 1n4r h LEU 129 N -1.20 0.41 -0.66 3.11 3.38 -1.24 -0.58 115.31 118.53 1n4r h LEU 129 Ca -0.10 0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 129 Cb 0.74 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1n4r h LEU 129 CO 0.16 0.26 0.35 -1.28 0.09 0.00 0.00 178.44 178.02 1n4r h SER 130 N 0.56 0.50 -0.38 -0.43 0.87 -1.10 -1.66 113.55 111.92 1n4r h SER 130 Ca 0.29 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1n4r h SER 130 Cb 0.26 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1n4r h SER 130 CO -0.23 0.32 0.02 0.00 -0.53 0.00 0.00 176.83 176.41 1n4r h LEU 132 N 0.48 0.15 -0.64 0.00 3.38 -0.68 -0.17 115.31 117.82 1n4r h LEU 132 Ca 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n4r h LEU 132 Cb 0.43 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1n4r h LEU 132 CO 0.01 0.12 0.37 0.40 0.09 0.00 0.00 178.44 179.43 1n4r h ILE 133 N 0.33 1.20 -0.73 1.22 2.04 -1.22 -1.56 117.51 118.77 1n4r h ILE 133 Ca 0.22 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1n4r h ILE 133 Cb 0.23 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1n4r h ILE 133 CO -0.23 0.21 0.41 0.40 0.00 0.00 0.00 178.15 178.93 1n4r h ILE 134 N 0.87 1.22 0.00 -0.67 2.04 -0.77 -1.75 117.51 118.45 1n4r h ILE 134 Ca 0.23 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1n4r h ILE 134 Cb 0.01 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1n4r h ILE 134 CO -0.04 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1n4r n LEU 135 N -4.36 0.00 0.00 1.44 4.77 -0.15 -4.90 117.00 113.79 1n4r n LEU 135 Ca 0.07 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1n4r n LEU 135 Cb 0.09 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1n4r n LEU 135 CO 0.38 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1n4r n GLY 136 N 1.08 0.56 3.59 -0.72 0.00 -0.66 -4.95 105.19 104.10 1n4r n GLY 136 Ca 0.17 0.00 -0.32 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 -0.26 -0.96 1.61 -0.08 -0.64 -4.93 116.55 111.28 1n4r n ASP 137 Ca 0.00 0.44 0.09 0.00 -1.51 0.00 0.00 54.79 53.81 1n4r n ASP 137 Cb 0.00 -1.40 0.22 0.00 2.34 0.00 0.00 41.12 42.28 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 -3.06 3.32 -1.01 1.67 5.68 -1.26 -4.50 116.55 117.38 1n4r n ASP 138 Ca 0.11 -1.96 -0.13 0.00 -0.50 0.00 0.00 54.79 52.30 1n4r n ASP 138 Cb 0.52 -0.31 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.08 -0.72 0.19 -2.12 4.32 -1.26 -4.86 117.00 113.63 1n4r n LEU 139 Ca 0.17 0.33 0.03 0.00 -0.02 0.00 0.00 56.01 56.52 1n4r n LEU 139 Cb 0.51 -2.48 0.41 0.00 -1.62 0.00 0.00 43.42 40.25 1n4r n LEU 139 CO 0.12 -0.93 0.81 0.77 -1.22 0.00 0.00 177.39 176.94 1n4r h SER 140 N 0.00 0.04 -0.08 -1.43 4.64 -2.02 -2.21 113.55 112.49 1n4r h SER 140 Ca -0.27 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n4r h SER 140 Cb 1.10 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1n4r h SER 140 CO 0.40 0.31 0.00 0.54 -0.87 0.00 0.00 176.83 177.21 1n4r n ARG 141 N -4.21 1.50 -3.09 4.77 1.74 -1.26 -4.80 116.66 111.32 1n4r n ARG 141 Ca -0.02 -0.75 -0.41 0.00 -0.77 0.00 0.00 57.85 55.91 1n4r n ARG 141 Cb 0.33 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.90 4.98 -1.25 1.55 1.01 -0.83 -4.96 120.40 119.00 1n4r s VAL 142 Ca 0.34 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.32 1n4r s VAL 142 Cb 0.18 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1n4r s VAL 142 CO 0.28 0.05 1.85 -0.67 0.00 0.00 0.00 175.10 176.60 1n4r n ASP 143 N 5.52 4.12 -0.28 3.32 -0.08 -1.26 -4.80 116.55 123.08 1n4r n ASP 143 Ca -0.00 -2.83 0.10 0.00 -1.51 0.00 0.00 54.79 50.55 1n4r n ASP 143 Cb 0.49 -1.71 0.26 0.00 2.34 0.00 0.00 41.12 42.49 1n4r n ASP 143 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1n4r h LYS 144 N 8.22 0.30 -0.37 -0.67 1.57 -1.93 -0.99 116.57 122.71 1n4r h LYS 144 Ca 0.38 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 1n4r h LYS 144 Cb 0.87 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1n4r h LYS 144 CO 1.43 0.20 -0.13 0.93 -0.57 0.00 0.00 179.45 181.31 1n4r h GLU 145 N 0.31 0.65 -0.36 3.15 4.39 -1.99 -1.68 114.58 119.04 1n4r h GLU 145 Ca 0.50 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 1n4r h GLU 145 Cb 0.94 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1n4r h GLU 145 CO -0.55 0.76 -0.02 0.00 -1.16 0.00 0.00 179.01 178.04 1n4r h ALA 146 N 1.27 0.49 -0.31 3.43 0.00 -1.59 -0.81 119.26 121.74 1n4r h ALA 146 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n4r h ALA 146 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1n4r h ALA 146 CO 0.04 0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.75 1n4r h LEU 148 N 0.41 0.80 -0.54 0.00 3.38 -1.21 0.71 115.31 118.85 1n4r h LEU 148 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1n4r h LEU 148 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1n4r h LEU 148 CO -0.02 0.70 0.13 0.00 0.09 0.00 0.00 178.44 179.34 1n4r h ALA 149 N 1.42 0.72 -0.67 1.53 0.00 -0.65 -1.55 119.26 120.05 1n4r h ALA 149 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n4r h ALA 149 Cb 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n4r h ALA 149 CO -0.02 0.42 0.10 0.78 0.00 0.00 0.00 179.25 180.53 1n4r h GLY 150 N 0.77 1.19 0.93 0.00 0.00 -0.29 -2.75 103.07 102.92 1n4r h GLY 150 Ca 0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1n4r h GLY 150 CO 0.00 0.74 -0.16 -2.00 0.00 0.00 0.00 176.54 175.12 1n4r h LEU 151 N 1.03 -0.40 -1.05 3.11 6.46 -0.52 -2.54 115.31 121.41 1n4r h LEU 151 Ca 0.20 0.02 0.17 0.00 -0.12 0.00 0.00 57.88 58.15 1n4r h LEU 151 Cb 0.45 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.40 1n4r h LEU 151 CO 0.01 -0.26 0.62 0.03 -0.62 0.00 0.00 178.44 178.22 1n4r h ARG 152 N -0.41 0.79 0.00 1.25 3.08 -0.99 0.97 114.38 119.07 1n4r h ARG 152 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n4r h ARG 152 Cb 0.34 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1n4r h ARG 152 CO 0.03 0.52 -0.00 0.00 -1.07 0.00 0.00 179.97 179.45 1n4r h ALA 153 N 1.61 1.01 0.00 0.04 0.00 -1.15 -2.70 119.26 118.07 1n4r h ALA 153 Ca 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1n4r h ALA 153 Cb 0.78 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n4r h ALA 153 CO -0.33 0.00 -0.67 -0.07 0.00 0.00 0.00 179.25 178.19 1n4r h LEU 154 N 0.00 0.00 -9.68 0.00 3.38 -0.68 -3.47 115.31 104.86 1n4r h LEU 154 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1n4r h LEU 154 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1n4r h LEU 154 CO 0.00 0.00 0.53 -1.58 0.09 0.00 0.00 178.44 177.48 1n4r s GLN 155 N -3.31 4.53 0.65 1.13 0.74 -1.02 -1.94 119.66 120.44 1n4r s GLN 155 Ca 0.02 1.83 0.02 0.00 0.05 0.00 0.00 55.36 57.28 1n4r s GLN 155 Cb 0.08 -3.24 0.10 0.00 1.10 0.00 0.00 33.01 31.04 1n4r s GLN 155 CO 0.75 -0.02 0.89 -0.51 -0.55 0.00 0.00 175.29 175.86 1n4r s LEU 156 N -0.41 3.09 0.25 3.68 1.43 0.56 -4.98 118.68 122.30 1n4r s LEU 156 Ca 0.51 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1n4r s LEU 156 Cb -0.32 -2.10 0.29 0.00 0.03 0.00 0.00 46.19 44.09 1n4r s LEU 156 CO 0.37 -1.58 1.90 1.05 0.23 0.00 0.00 176.35 178.32 1n4r h GLU 157 N -0.22 1.19 0.00 1.70 4.11 -1.96 -1.84 114.58 117.56 1n4r h GLU 157 Ca -0.36 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.00 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 0.43 0.79 0.00 -0.40 0.07 0.00 0.00 179.01 179.90 1n4r n ASP 158 N -4.46 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.87 1n4r n ASP 158 Ca 0.12 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 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 0.38 3.39 3.75 6.12 0.00 -0.69 -4.05 105.19 114.08 1n4r n GLY 159 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 0.02 -4.31 1.61 3.41 -1.26 -4.02 113.62 109.07 1n4r n SER 160 Ca 0.00 -1.46 -0.18 0.00 -0.26 0.00 0.00 58.87 56.98 1n4r n SER 160 Cb 0.00 -0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 62.85 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 -3.80 1.56 0.43 7.33 0.40 -1.26 -0.32 117.98 122.32 1n4r s PHE 161 Ca 0.73 -0.61 0.08 0.00 -0.60 0.00 0.00 56.93 56.53 1n4r s PHE 161 Cb -0.02 -0.76 -0.00 0.00 0.51 0.00 0.00 43.02 42.75 1n4r s PHE 161 CO 0.52 0.26 0.48 0.00 0.70 0.00 0.00 175.22 177.17 1n4r n ALA 163 N -1.71 1.22 -2.85 0.00 0.00 -1.26 -4.76 120.51 111.16 1n4r n ALA 163 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1n4r n ALA 163 Cb 0.61 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.27 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 0.58 0.53 0.00 -7.23 -1.26 -0.39 120.40 110.05 1n4r s VAL 164 Ca -0.15 -1.10 0.18 0.00 -1.81 0.00 0.00 61.98 59.10 1n4r s VAL 164 Cb 0.07 -0.64 0.28 0.00 0.56 0.00 0.00 36.38 36.65 1n4r s VAL 164 CO 0.78 -0.37 2.16 1.55 -0.31 0.00 0.00 175.10 178.91 1n4r h PRO 165 N 4.47 0.00 0.00 4.82 0.13 -1.86 -1.24 132.00 138.33 1n4r h PRO 165 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 1n4r n GLU 166 N -4.45 0.18 0.00 0.86 4.71 -1.26 -4.95 120.64 115.73 1n4r n GLU 166 Ca -0.03 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1n4r n GLU 166 Cb 0.10 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 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 -0.48 3.06 3.55 0.62 0.00 -0.47 -5.17 105.19 106.30 1n4r n GLY 167 Ca 0.01 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.07 -4.77 1.61 3.41 -1.26 -4.69 113.62 106.86 1n4r n SER 168 Ca 0.00 -1.22 -0.31 0.00 -0.26 0.00 0.00 58.87 57.08 1n4r n SER 168 Cb 0.00 1.65 0.09 0.00 -0.26 0.00 0.00 64.21 65.69 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 -2.01 2.19 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.08 1n4r s GLU 169 Ca 0.27 1.05 0.02 0.00 0.03 0.00 0.00 54.97 56.34 1n4r s GLU 169 Cb -0.01 -1.90 0.01 0.00 -0.80 0.00 0.00 34.13 31.44 1n4r s GLU 169 CO -0.01 -1.65 -0.08 0.54 -1.33 0.00 0.00 175.26 172.73 1n4r s ASN 170 N -3.49 1.21 0.17 0.83 4.22 -1.26 -4.25 114.94 112.37 1n4r s ASN 170 Ca 0.61 -0.19 -0.12 0.00 -2.14 0.00 0.00 52.86 51.03 1n4r s ASN 170 Cb -0.17 -0.48 0.04 0.00 1.28 0.00 0.00 41.25 41.92 1n4r s ASN 170 CO 0.56 0.01 0.58 -0.90 -2.04 0.00 0.00 177.10 175.31 1n4r n ASP 171 N 3.69 -1.22 -0.20 3.54 5.68 -1.22 -4.94 116.55 121.89 1n4r n ASP 171 Ca -0.22 -1.74 0.18 0.00 -0.50 0.00 0.00 54.79 52.51 1n4r n ASP 171 Cb 0.52 2.01 0.53 0.00 -1.14 0.00 0.00 41.12 43.04 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 0.36 -0.58 0.11 1.85 -1.76 -2.16 114.93 112.75 1n4r h MET 172 Ca -0.19 -0.02 0.10 0.00 -0.61 0.00 0.00 59.70 58.99 1n4r h MET 172 Cb 0.75 -0.08 -0.08 0.00 0.43 0.00 0.00 31.60 32.62 1n4r h MET 172 CO 0.24 0.24 0.14 0.00 -0.40 0.00 0.00 176.91 177.14 1n4r h ARG 173 N 0.38 0.28 0.00 0.39 3.08 -1.94 -1.21 114.38 115.35 1n4r h ARG 173 Ca 0.42 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1n4r h ARG 173 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1n4r h ARG 173 CO -0.14 0.18 -0.08 0.74 -1.07 0.00 0.00 179.97 179.60 1n4r h PHE 174 N 0.28 0.00 -0.48 3.04 0.05 -1.68 -2.54 116.94 115.61 1n4r h PHE 174 Ca 0.30 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.96 1n4r h PHE 174 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1n4r h PHE 174 CO -0.23 0.08 -0.19 0.28 -0.18 0.00 0.00 178.31 178.07 1n4r h VAL 175 N 0.00 1.27 -0.60 -0.55 2.07 -1.16 -1.16 116.25 116.12 1n4r h VAL 175 Ca -0.00 -1.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1n4r h VAL 175 Cb 0.89 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1n4r h VAL 175 CO 0.01 0.47 0.02 0.22 0.02 0.00 0.00 177.57 178.31 1n4r h TYR 176 N 0.84 1.11 -0.36 1.57 3.20 -1.14 -1.18 116.97 121.01 1n4r h TYR 176 Ca 0.11 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1n4r h TYR 176 Cb 0.77 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1n4r h TYR 176 CO 0.05 0.97 0.16 0.00 -1.64 0.00 0.00 178.16 177.70 1n4r h ALA 178 N 1.01 0.51 -0.47 0.00 0.00 -1.00 -1.11 119.26 118.19 1n4r h ALA 178 Ca 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1n4r h ALA 178 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n4r h ALA 178 CO -0.01 -0.11 0.27 0.77 0.00 0.00 0.00 179.25 180.17 1n4r h SER 179 N 0.46 0.43 -0.72 0.00 0.02 -0.95 -1.03 113.55 111.77 1n4r h SER 179 Ca 0.16 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1n4r h SER 179 Cb 0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1n4r h SER 179 CO -0.08 0.30 0.27 0.00 -1.14 0.00 0.00 176.83 176.18 1n4r h ILE 181 N 1.04 1.00 -0.95 0.00 2.04 -0.78 -0.28 117.51 119.59 1n4r h ILE 181 Ca 0.24 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1n4r h ILE 181 Cb 0.24 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1n4r h ILE 181 CO -0.02 0.07 0.61 0.00 0.00 0.00 0.00 178.15 178.82 1n4r h TYR 183 N 1.16 0.13 -0.62 0.00 3.20 -0.89 -0.27 116.97 119.67 1n4r h TYR 183 Ca 0.39 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 1n4r h TYR 183 Cb 0.06 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1n4r h TYR 183 CO -0.01 0.24 0.05 0.52 -1.64 0.00 0.00 178.16 177.32 1n4r h MET 184 N -0.03 1.07 -0.04 1.82 2.86 -0.70 -0.96 114.93 118.95 1n4r h MET 184 Ca 0.03 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1n4r h MET 184 Cb 0.17 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1n4r h MET 184 CO -0.00 1.02 0.00 1.28 1.06 0.00 0.00 176.91 180.27 1n4r n LEU 185 N -4.22 0.35 -4.25 1.22 4.77 -0.29 -4.89 117.00 109.69 1n4r n LEU 185 Ca 0.03 -0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1n4r n LEU 185 Cb 0.32 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1n4r n LEU 185 CO 0.44 0.08 -0.37 -3.20 -1.33 0.00 0.00 177.39 173.00 1n4r n ASN 186 N -0.52 0.18 -3.44 -1.43 5.15 -0.31 -4.93 115.26 109.98 1n4r n ASN 186 Ca 0.12 -1.20 -0.03 0.00 -0.60 0.00 0.00 54.58 52.88 1n4r n ASN 186 Cb 0.11 -1.99 -0.05 0.00 -0.53 0.00 0.00 39.78 37.32 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 -4.22 -0.74 -0.11 1.20 3.84 -0.27 -5.02 114.94 109.62 1n4r s ASN 187 Ca 0.12 0.95 0.09 0.00 0.21 0.00 0.00 52.86 54.23 1n4r s ASN 187 Cb -0.07 1.81 0.46 0.00 -0.55 0.00 0.00 41.25 42.90 1n4r s ASN 187 CO 0.97 -0.25 1.24 0.79 -2.79 0.00 0.00 177.10 177.06 1n4r n TRP 188 N 5.41 1.08 0.90 0.43 7.02 -1.26 -3.99 117.44 127.03 1n4r n TRP 188 Ca -0.06 -0.39 0.09 0.00 -1.02 0.00 0.00 57.50 56.12 1n4r n TRP 188 Cb 0.50 -0.27 0.48 0.00 -2.42 0.00 0.00 31.31 29.60 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 0.44 0.00 0.10 -0.99 3.41 -1.26 -2.61 113.62 112.72 1n4r n SER 189 Ca 0.16 0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 1n4r n SER 189 Cb 0.71 -0.30 0.46 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.37 -1.37 3.28 5.00 0.00 -1.26 -4.83 105.19 106.37 1n4r n GLY 190 Ca 0.09 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.20 1.00 -1.01 1.61 0.23 -1.07 -2.52 119.30 114.34 1n4r s MET 191 Ca 0.07 -1.00 -0.14 0.00 -1.03 0.00 0.00 55.69 53.59 1n4r s MET 191 Cb 0.11 0.38 0.20 0.00 -1.53 0.00 0.00 34.83 33.98 1n4r s MET 191 CO 0.44 -0.35 1.10 0.34 -2.03 0.00 0.00 175.02 174.51 1n4r s ASP 192 N -2.89 6.92 0.39 -1.18 3.68 -1.26 -4.90 116.67 117.43 1n4r s ASP 192 Ca 0.09 -2.78 0.17 0.00 2.13 0.00 0.00 52.55 52.16 1n4r s ASP 192 Cb 0.04 -2.31 1.08 0.00 -1.45 0.00 0.00 42.92 40.28 1n4r s ASP 192 CO -0.07 -0.69 1.77 -0.03 0.13 0.00 0.00 175.17 176.28 1n4r h MET 193 N 7.68 0.40 -0.33 4.34 1.85 -1.98 -1.11 114.93 125.79 1n4r h MET 193 Ca 0.18 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1n4r h MET 193 Cb 0.96 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.88 1n4r h MET 193 CO 1.02 0.27 0.21 -0.22 -0.40 0.00 0.00 176.91 177.78 1n4r h LYS 194 N 0.41 0.45 -0.28 0.39 3.11 -1.99 -0.51 116.57 118.15 1n4r h LYS 194 Ca 0.60 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 58.28 1n4r h LYS 194 Cb 1.47 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.60 1n4r h LYS 194 CO -0.31 0.33 -0.33 0.87 -2.81 0.00 0.00 179.45 177.20 1n4r h LYS 195 N 0.44 0.61 -0.16 1.90 1.57 -1.60 -2.05 116.57 117.28 1n4r h LYS 195 Ca 0.12 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1n4r h LYS 195 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1n4r h LYS 195 CO -0.02 0.86 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 1n4r h ALA 196 N 1.12 0.21 -0.94 3.86 0.00 -1.07 -1.40 119.26 121.04 1n4r h ALA 196 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1n4r h ALA 196 Cb 0.82 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1n4r h ALA 196 CO 0.07 -0.21 0.62 0.82 0.00 0.00 0.00 179.25 180.54 1n4r h ILE 197 N 0.11 1.13 -0.62 0.00 2.04 -1.01 -0.80 117.51 118.37 1n4r h ILE 197 Ca 0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n4r h ILE 197 Cb 0.16 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1n4r h ILE 197 CO -0.01 0.21 0.39 -1.28 0.00 0.00 0.00 178.15 177.47 1n4r h SER 198 N 1.15 0.73 -0.47 1.72 0.87 -0.96 -1.13 113.55 115.47 1n4r h SER 198 Ca 0.38 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1n4r h SER 198 Cb 0.07 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1n4r h SER 198 CO -0.13 0.55 0.28 0.22 -0.53 0.00 0.00 176.83 177.23 1n4r h TYR 199 N 0.84 0.62 -0.68 2.24 3.20 -0.09 -0.98 116.97 122.11 1n4r h TYR 199 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1n4r h TYR 199 Cb -0.06 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1n4r h TYR 199 CO -0.02 0.43 0.42 0.82 -1.64 0.00 0.00 178.16 178.17 1n4r h ILE 200 N 0.62 1.19 -0.04 1.81 2.04 -0.81 -2.57 117.51 119.75 1n4r h ILE 200 Ca 0.17 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1n4r h ILE 200 Cb -0.00 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1n4r h ILE 200 CO -0.03 0.19 0.02 0.03 0.00 0.00 0.00 178.15 178.36 1n4r h ARG 201 N 0.92 0.06 0.00 2.37 3.08 -0.87 -2.68 114.38 117.26 1n4r h ARG 201 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1n4r h ARG 201 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1n4r h ARG 201 CO -0.05 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.58 1n4r n ARG 202 N -4.98 0.03 0.00 0.04 1.74 -0.40 -1.49 116.66 111.59 1n4r n ARG 202 Ca -0.07 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.63 1n4r n ARG 202 Cb 0.10 -1.58 0.35 0.00 -1.02 0.00 0.00 32.46 30.32 1n4r n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4r n SER 203 N -1.63 0.89 -4.72 0.55 3.41 -0.99 -3.95 113.62 107.17 1n4r n SER 203 Ca 0.00 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.46 1n4r n SER 203 Cb 0.03 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.62 4.31 0.63 4.33 0.00 -0.55 -1.39 119.30 124.02 1n4r s MET 204 Ca 0.21 2.13 -0.03 0.00 0.00 0.00 0.00 55.69 58.00 1n4r s MET 204 Cb 0.19 -3.22 0.05 0.00 0.00 0.00 0.00 34.83 31.85 1n4r s MET 204 CO 0.56 -0.43 0.90 0.45 0.00 0.00 0.00 175.02 176.51 1n4r s SER 205 N 0.94 5.04 0.55 1.11 0.15 -0.01 -4.87 113.70 116.60 1n4r s SER 205 Ca 0.64 0.26 0.31 0.00 0.70 0.00 0.00 55.95 57.86 1n4r s SER 205 Cb -0.38 -1.02 1.56 0.00 -1.71 0.00 0.00 66.02 64.47 1n4r s SER 205 CO 0.32 -1.38 2.09 0.10 1.20 0.00 0.00 173.24 175.58 1n4r h TYR 206 N -0.29 0.00 -0.18 3.44 -0.00 -1.95 -0.35 116.97 117.64 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 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1n4r h TYR 206 CO 0.35 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 178.20 1n4r n ASP 207 N -3.44 1.77 0.00 0.10 3.85 -1.26 -4.95 116.55 112.63 1n4r n ASP 207 Ca -0.01 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.33 1n4r n ASP 207 Cb 0.23 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 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 0.39 0.00 -4.56 -1.12 3.02 -0.14 -4.79 115.26 108.06 1n4r n ASN 208 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 1n4r n ASN 208 Cb 0.34 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.92 1.75 -0.10 7.41 0.00 -1.26 -4.22 107.32 108.98 1n4r s GLY 209 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.31 1n4r s GLY 209 CO 0.00 -0.80 0.02 1.08 0.00 0.00 0.00 173.10 173.40 1n4r s LEU 210 N -5.39 3.66 0.58 0.66 1.02 -1.26 -0.83 118.68 117.11 1n4r s LEU 210 Ca 0.67 0.16 0.07 0.00 0.02 0.00 0.00 54.13 55.05 1n4r s LEU 210 Cb -0.06 -1.85 0.07 0.00 0.02 0.00 0.00 46.19 44.37 1n4r s LEU 210 CO 0.47 0.36 0.58 0.00 0.02 0.00 0.00 176.35 177.79 1n4r s ALA 211 N -0.78 4.61 0.28 4.21 0.00 -0.48 -0.96 121.76 128.63 1n4r s ALA 211 Ca 0.12 -1.58 0.28 0.00 0.00 0.00 0.00 51.96 50.78 1n4r s ALA 211 Cb -0.12 -1.01 1.30 0.00 0.00 0.00 0.00 23.12 23.29 1n4r s ALA 211 CO 0.02 -0.67 1.98 1.96 0.00 0.00 0.00 175.76 179.06 1n4r h GLN 212 N 0.45 0.00 -2.06 0.00 1.08 -1.88 -3.45 115.11 109.26 1n4r h GLN 212 Ca -0.33 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.08 1n4r h GLN 212 Cb 1.30 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.62 1n4r h GLN 212 CO 0.50 0.14 0.59 0.20 -0.95 0.00 0.00 178.83 179.30 1n4r s GLY 213 N -4.22 -0.32 0.20 3.46 0.00 -1.26 -2.24 107.32 102.93 1n4r s GLY 213 Ca -0.01 0.52 -0.32 0.00 0.00 0.00 0.00 44.72 44.91 1n4r s GLY 213 CO 0.59 0.13 1.23 0.00 0.00 0.00 0.00 173.10 175.05 1n4r n ALA 214 N -0.41 -0.17 0.00 3.20 0.00 -1.25 -2.04 120.51 119.83 1n4r n ALA 214 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n4r n ALA 214 Cb 0.61 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.03 2.84 3.77 0.00 0.00 -1.26 -5.02 105.19 107.55 1n4r n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 2.31 0.09 0.99 2.01 -0.87 -4.98 118.68 118.24 1n4r s LEU 216 Ca 0.00 1.27 -0.31 0.00 0.01 0.00 0.00 54.13 55.10 1n4r s LEU 216 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 46.19 42.38 1n4r s LEU 216 CO 0.00 -2.35 1.48 -0.70 1.01 0.00 0.00 176.35 175.79 1n4r s GLU 217 N -5.11 4.27 0.54 1.70 2.12 -1.26 -4.69 118.70 116.26 1n4r s GLU 217 Ca 0.62 2.16 -0.22 0.00 0.36 0.00 0.00 54.97 57.90 1n4r s GLU 217 Cb -0.16 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1n4r s GLU 217 CO 0.55 -0.55 1.33 -1.54 -0.54 0.00 0.00 175.26 174.50 1n4r s SER 218 N 1.51 5.35 0.00 -1.70 1.04 -1.26 -4.40 113.70 114.24 1n4r s SER 218 Ca 0.67 2.70 -0.09 0.00 0.48 0.00 0.00 55.95 59.71 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 -1.51 0.18 -2.28 0.98 0.00 0.00 173.24 170.91 1n4r s HIS 219 N -1.34 -0.01 0.26 5.02 2.46 -0.14 -4.85 115.29 116.69 1n4r s HIS 219 Ca 0.71 -0.05 -0.03 0.00 0.47 0.00 0.00 55.06 56.16 1n4r s HIS 219 Cb -0.39 -0.01 0.39 0.00 -0.13 0.00 0.00 32.58 32.44 1n4r s HIS 219 CO 0.45 -0.32 1.88 0.78 -2.47 0.00 0.00 174.74 175.06 1n4r h GLY 220 N 4.10 1.49 0.79 1.59 0.00 -0.86 -0.54 103.07 109.64 1n4r h GLY 220 Ca -0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1n4r h GLY 220 CO 0.41 0.33 0.01 -1.33 0.00 0.00 0.00 176.54 175.95 1n4r h GLY 221 N 1.15 0.27 1.98 4.60 0.00 -1.91 -1.91 103.07 107.25 1n4r h GLY 221 Ca 0.42 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 1n4r h GLY 221 CO -0.17 0.18 -0.53 1.48 0.00 0.00 0.00 176.54 177.50 1n4r h SER 222 N 0.00 0.02 -0.53 0.19 4.64 -1.78 -1.27 113.55 114.83 1n4r h SER 222 Ca 0.04 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1n4r h SER 222 Cb 0.35 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1n4r h SER 222 CO 0.01 0.54 -0.04 0.74 -0.87 0.00 0.00 176.83 177.21 1n4r h THR 223 N 0.01 1.27 -0.05 2.95 2.02 -1.03 0.47 112.91 118.54 1n4r h THR 223 Ca -0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1n4r h THR 223 Cb 0.94 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1n4r h THR 223 CO 0.07 0.41 0.02 0.15 0.37 0.00 0.00 175.52 176.55 1n4r h PHE 224 N 0.83 0.08 -0.79 3.16 3.57 -1.05 -0.71 116.94 122.02 1n4r h PHE 224 Ca 0.14 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1n4r h PHE 224 Cb 0.59 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1n4r h PHE 224 CO 0.04 0.17 0.48 0.00 -2.23 0.00 0.00 178.31 176.78 1n4r h GLY 226 N 0.90 -0.57 0.94 0.00 0.00 -0.73 -1.69 103.07 101.91 1n4r h GLY 226 Ca 0.34 0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.89 1n4r h GLY 226 CO -0.16 -0.21 0.10 -2.22 0.00 0.00 0.00 176.54 174.04 1n4r h ILE 227 N -0.87 1.01 -0.91 2.60 1.08 -1.01 -1.98 117.51 117.44 1n4r h ILE 227 Ca -0.06 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1n4r h ILE 227 Cb 0.55 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 1n4r h ILE 227 CO 0.09 0.04 0.60 0.00 -0.69 0.00 0.00 178.15 178.19 1n4r h ALA 228 N 1.09 1.40 -0.10 1.87 0.00 -0.90 -0.69 119.26 121.92 1n4r h ALA 228 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n4r h ALA 228 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1n4r h ALA 228 CO -0.04 0.53 0.06 0.77 0.00 0.00 0.00 179.25 180.56 1n4r h SER 229 N 1.17 0.12 -0.76 0.00 0.02 -0.88 0.59 113.55 113.80 1n4r h SER 229 Ca 0.35 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1n4r h SER 229 Cb -0.05 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1n4r h SER 229 CO -0.09 0.15 0.49 -0.07 -1.14 0.00 0.00 176.83 176.16 1n4r h LEU 230 N 0.08 0.82 -0.47 5.07 3.38 -0.81 -1.21 115.31 122.18 1n4r h LEU 230 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 230 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1n4r h LEU 230 CO -0.01 0.57 0.26 0.00 0.09 0.00 0.00 178.44 179.35 1n4r h LEU 232 N 0.62 0.36 0.00 0.00 4.07 -0.21 0.20 115.31 120.34 1n4r h LEU 232 Ca 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1n4r h LEU 232 Cb 0.05 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1n4r h LEU 232 CO -0.03 0.25 -0.19 0.23 -1.08 0.00 0.00 178.44 177.63 1n4r n MET 233 N -4.49 0.15 -2.97 1.13 2.81 -0.52 -4.94 117.12 108.29 1n4r n MET 233 Ca 0.02 0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 1n4r n MET 233 Cb 0.09 -1.65 0.05 0.00 -0.71 0.00 0.00 33.22 31.01 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 1.40 -0.01 0.61 3.03 0.00 0.68 -4.96 105.19 105.94 1n4r n GLY 234 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.02 0.04 0.20 1.61 5.02 -0.35 -4.91 118.16 116.75 1n4r n LYS 235 Ca -0.11 -1.17 -0.16 0.00 -2.02 0.00 0.00 58.31 54.85 1n4r n LYS 235 Cb 0.58 -0.47 -0.09 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 0.12 -1.36 -0.85 -0.35 6.46 -1.91 -0.24 115.31 117.19 1n4r h LEU 236 Ca -0.03 0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.98 1n4r h LEU 236 Cb 1.45 0.47 -0.08 0.00 -0.73 0.00 0.00 40.66 41.76 1n4r h LEU 236 CO 0.01 -0.57 0.46 -0.33 -0.62 0.00 0.00 178.44 177.40 1n4r h GLU 237 N -0.82 0.69 -0.37 1.25 4.39 -1.91 -1.33 114.58 116.49 1n4r h GLU 237 Ca -0.04 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1n4r h GLU 237 Cb 0.76 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1n4r h GLU 237 CO -0.15 0.46 -0.22 1.49 -1.16 0.00 0.00 179.01 179.43 1n4r h GLU 238 N 0.71 0.72 0.23 2.33 4.81 -1.83 -3.32 114.58 118.23 1n4r h GLU 238 Ca 0.44 -0.28 -0.32 0.00 -0.13 0.00 0.00 59.36 59.07 1n4r h GLU 238 Cb 0.53 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.90 1n4r h GLU 238 CO -0.31 0.88 -1.44 0.28 -0.73 0.00 0.00 179.01 177.69 1n4r h VAL 239 N 0.63 1.25 -3.64 0.32 2.07 -0.43 -3.46 116.25 112.98 1n4r h VAL 239 Ca 0.09 -2.64 -0.67 0.00 0.82 0.00 0.00 66.70 64.30 1n4r h VAL 239 Cb 0.72 3.01 -0.23 0.00 -1.52 0.00 0.00 31.29 33.27 1n4r h VAL 239 CO 0.06 0.80 -0.74 -0.36 0.02 0.00 0.00 177.57 177.35 1n4r s PHE 240 N -2.57 2.83 0.97 1.57 2.99 -0.56 -5.08 117.98 118.13 1n4r s PHE 240 Ca -0.11 -0.28 -0.12 0.00 0.00 0.00 0.00 56.93 56.42 1n4r s PHE 240 Cb 0.04 -1.75 0.17 0.00 0.00 0.00 0.00 43.02 41.48 1n4r s PHE 240 CO 0.91 0.08 1.10 -1.54 -0.00 0.00 0.00 175.22 175.77 1n4r s SER 241 N -0.29 2.91 0.20 1.36 1.04 -1.26 -4.60 113.70 113.05 1n4r s SER 241 Ca 0.03 1.18 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 1n4r s SER 241 Cb -0.13 -1.83 0.14 0.00 0.10 0.00 0.00 66.02 64.30 1n4r s SER 241 CO 0.03 -2.95 1.80 -0.08 0.98 0.00 0.00 173.24 173.01 1n4r h GLU 242 N -1.77 1.05 -0.62 4.02 4.81 -1.99 0.72 114.58 120.80 1n4r h GLU 242 Ca -0.53 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 58.51 1n4r h GLU 242 Cb 1.32 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1n4r h GLU 242 CO 0.58 0.82 0.24 -0.22 -0.73 0.00 0.00 179.01 179.70 1n4r h LYS 243 N 1.03 0.94 -0.09 1.92 3.64 -1.99 -0.86 116.57 121.16 1n4r h LYS 243 Ca 0.25 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1n4r h LYS 243 Cb 0.11 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1n4r h LYS 243 CO -0.03 0.81 0.04 0.93 -2.27 0.00 0.00 179.45 178.93 1n4r h GLU 244 N 0.88 0.13 -0.49 1.90 5.08 -1.78 -2.03 114.58 118.27 1n4r h GLU 244 Ca 0.21 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1n4r h GLU 244 Cb 0.23 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1n4r h GLU 244 CO -0.01 0.21 0.33 -0.07 -1.00 0.00 0.00 179.01 178.46 1n4r h LEU 245 N 0.02 0.52 -0.61 1.33 3.38 -0.65 -0.90 115.31 118.39 1n4r h LEU 245 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1n4r h LEU 245 Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1n4r h LEU 245 CO -0.00 0.36 0.04 0.78 0.09 0.00 0.00 178.44 179.71 1n4r h ASN 246 N 0.60 1.02 -0.51 -0.43 -0.26 -0.77 -0.01 115.58 115.23 1n4r h ASN 246 Ca 0.19 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.58 1n4r h ASN 246 Cb 0.03 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1n4r h ASN 246 CO -0.05 1.05 0.08 0.03 -1.06 0.00 0.00 177.43 177.49 1n4r h ARG 247 N 0.95 0.84 -0.35 0.81 3.08 -0.58 -1.21 114.38 117.93 1n4r h ARG 247 Ca 0.18 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1n4r h ARG 247 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1n4r h ARG 247 CO 0.02 0.83 0.13 0.82 -1.07 0.00 0.00 179.97 180.70 1n4r h ILE 248 N 0.72 1.20 -0.66 2.04 2.04 -1.01 -1.45 117.51 120.39 1n4r h ILE 248 Ca 0.15 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1n4r h ILE 248 Cb 0.40 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1n4r h ILE 248 CO 0.01 0.22 0.36 0.11 0.00 0.00 0.00 178.15 178.85 1n4r h LYS 249 N 0.41 0.65 -0.57 2.37 1.57 -0.80 -0.35 116.57 119.85 1n4r h LYS 249 Ca 0.11 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1n4r h LYS 249 Cb 0.22 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1n4r h LYS 249 CO -0.01 0.43 0.38 -0.09 -0.57 0.00 0.00 179.45 179.59 1n4r h ARG 250 N 0.66 0.75 -0.49 3.15 9.65 -0.87 -0.51 114.38 126.73 1n4r h ARG 250 Ca 0.30 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1n4r h ARG 250 Cb 0.19 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1n4r h ARG 250 CO -0.19 0.50 0.26 2.35 2.80 0.00 0.00 179.97 185.69 1n4r h TRP 251 N 0.78 0.68 0.26 2.20 7.01 -0.34 -2.34 115.95 124.19 1n4r h TRP 251 Ca 0.21 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1n4r h TRP 251 Cb -0.09 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.76 1n4r h TRP 251 CO -0.03 0.51 -0.13 0.00 -2.79 0.00 0.00 178.44 176.00 1n4r h ILE 253 N -0.57 0.00 0.00 0.00 2.10 -1.08 0.14 117.51 118.10 1n4r h ILE 253 Ca -0.04 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1n4r h ILE 253 Cb 0.42 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1n4r h ILE 253 CO 0.06 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.36 1n4r n MET 254 N -2.75 0.34 0.24 2.19 2.81 -0.88 -3.20 117.12 115.86 1n4r n MET 254 Ca -0.01 0.04 0.14 0.00 -1.81 0.00 0.00 57.70 56.06 1n4r n MET 254 Cb 0.15 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.56 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 -1.03 -3.45 114.38 106.08 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 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1n4r h ARG 255 CO 0.00 0.00 0.61 -1.14 0.56 0.00 0.00 179.97 180.00 1n4r s GLN 256 N -3.41 4.40 -0.08 0.04 0.74 -1.19 -2.55 119.66 117.61 1n4r s GLN 256 Ca 0.04 1.58 0.02 0.00 0.05 0.00 0.00 55.36 57.06 1n4r s GLN 256 Cb 0.07 -3.52 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 1n4r s GLN 256 CO 0.61 -0.35 -0.04 1.04 -0.55 0.00 0.00 175.29 176.00 1n4r n GLN 257 N 4.87 1.15 0.07 1.67 1.13 -1.26 -4.96 117.38 120.04 1n4r n GLN 257 Ca 0.10 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1n4r n GLN 257 Cb 0.47 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.66 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 -2.57 -1.23 -0.34 1.08 0.23 -1.26 -5.07 115.26 106.11 1n4r n ASN 258 Ca -0.13 0.46 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 1n4r n ASN 258 Cb 0.68 1.39 0.00 0.00 -2.08 0.00 0.00 39.78 39.77 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 -1.31 1.71 3.20 4.83 0.00 -1.26 -2.24 105.19 110.12 1n4r n GLY 259 Ca 0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 2.27 1.55 0.34 1.61 1.51 -1.26 -4.43 117.35 118.94 1n4r s TYR 260 Ca 0.00 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1n4r s TYR 260 Cb 0.00 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1n4r s TYR 260 CO 0.00 0.05 0.27 -3.38 -1.11 0.00 0.00 175.55 171.38 1n4r s HIS 261 N -0.75 2.85 -0.85 2.71 -3.43 -1.06 -0.87 115.29 113.90 1n4r s HIS 261 Ca 0.05 -0.33 0.23 0.00 -0.80 0.00 0.00 55.06 54.21 1n4r s HIS 261 Cb -0.08 -1.78 0.14 0.00 -1.43 0.00 0.00 32.58 29.42 1n4r s HIS 261 CO 0.01 0.20 1.13 0.41 -2.00 0.00 0.00 174.74 174.49 1n4r n GLY 262 N -1.34 -1.17 3.32 -1.38 0.00 -1.26 -4.85 105.19 98.51 1n4r n GLY 262 Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.08 0.78 0.41 1.61 0.52 -1.26 -0.19 118.95 117.75 1n4r s ARG 263 Ca 0.07 -0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 54.99 1n4r s ARG 263 Cb 0.16 0.35 -0.11 0.00 0.52 0.00 0.00 34.95 35.88 1n4r s ARG 263 CO 0.78 -0.22 1.04 -2.30 0.02 0.00 0.00 175.30 174.62 1n4r n PRO 264 N 1.20 1.42 -2.36 3.54 -0.02 -1.26 -2.38 135.00 135.14 1n4r n PRO 264 Ca -0.21 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.59 1n4r n PRO 264 Cb 0.56 -2.07 -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 0.51 -5.54 -4.26 2.55 5.03 -1.26 -5.01 115.26 107.27 1n4r n ASN 265 Ca 0.09 -0.02 -0.25 0.00 0.87 0.00 0.00 54.58 55.28 1n4r n ASN 265 Cb 0.39 -4.58 -0.13 0.00 -1.02 0.00 0.00 39.78 34.43 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 -4.96 1.28 0.57 3.52 -0.14 -1.00 -5.13 119.74 113.89 1n4r s LYS 266 Ca 0.00 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 53.38 1n4r s LYS 266 Cb 0.00 -1.45 -0.04 0.00 -1.68 0.00 0.00 37.83 34.66 1n4r s LYS 266 CO 0.00 0.36 1.27 -1.25 -0.76 0.00 0.00 175.35 174.97 1n4r s PRO 267 N -1.46 3.04 0.82 -1.68 0.04 -1.26 -4.74 135.00 129.75 1n4r s PRO 267 Ca 0.07 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1n4r s PRO 267 Cb -0.09 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1n4r s PRO 267 CO 0.03 -1.20 1.13 0.14 0.04 0.00 0.00 177.00 177.13 1n4r s VAL 268 N -1.45 2.69 -0.14 -0.36 -7.23 -1.26 -4.63 120.40 108.02 1n4r s VAL 268 Ca 0.75 0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 61.09 1n4r s VAL 268 Cb -0.35 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.12 1n4r s VAL 268 CO 0.39 -0.28 0.32 -0.62 -0.31 0.00 0.00 175.10 174.60 1n4r s ASP 269 N -2.92 -0.15 0.27 4.85 -1.08 -0.05 -4.84 116.67 112.75 1n4r s ASP 269 Ca 0.65 0.70 -0.05 0.00 -0.52 0.00 0.00 52.55 53.33 1n4r s ASP 269 Cb -0.21 0.72 0.51 0.00 -1.46 0.00 0.00 42.92 42.48 1n4r s ASP 269 CO 0.55 -0.20 1.49 0.41 0.52 0.00 0.00 175.17 177.94 1n4r n THR 270 N 4.72 -0.40 0.33 1.71 -1.04 -0.94 -0.69 114.28 117.96 1n4r n THR 270 Ca -0.17 2.16 0.21 0.00 -2.04 0.00 0.00 64.05 64.20 1n4r n THR 270 Cb 0.52 -3.03 1.12 0.00 -1.82 0.00 0.00 70.33 67.12 1n4r n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4r h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.15 -1.93 116.97 113.94 1n4r h TYR 272 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1n4r h TYR 272 Cb 0.07 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1n4r h TYR 272 CO 0.00 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 177.86 1n4r h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.21 0.95 113.55 117.19 1n4r h SER 273 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1n4r h SER 273 Cb 0.52 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1n4r h SER 273 CO 0.00 0.02 -1.68 0.33 -1.14 0.00 0.00 176.83 174.37 1n4r n PHE 274 N -3.55 0.26 -0.14 3.45 7.35 -0.77 -3.02 117.46 121.03 1n4r n PHE 274 Ca -0.03 0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.68 1n4r n PHE 274 Cb 0.12 -0.85 -0.05 0.00 0.35 0.00 0.00 39.48 39.05 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 -1.29 0.06 -5.13 -0.00 -1.31 0.76 115.95 108.05 1n4r h TRP 275 Ca -0.37 0.07 -0.15 0.00 -0.00 0.00 0.00 58.89 58.44 1n4r h TRP 275 Cb 1.27 0.62 0.02 0.00 -0.00 0.00 0.00 29.16 31.07 1n4r h TRP 275 CO -0.17 -0.44 -0.64 0.28 -0.00 0.00 0.00 178.44 177.47 1n4r h VAL 276 N -0.31 1.50 -0.52 1.49 2.07 -1.05 -3.14 116.25 116.28 1n4r h VAL 276 Ca 0.14 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.44 1n4r h VAL 276 Cb 0.58 2.93 -0.06 0.00 -1.52 0.00 0.00 31.29 33.23 1n4r h VAL 276 CO -0.60 0.65 0.21 1.23 0.02 0.00 0.00 177.57 179.08 1n4r h GLY 277 N -0.31 0.71 1.67 2.17 0.00 -1.41 0.23 103.07 106.12 1n4r h GLY 277 Ca -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1n4r h GLY 277 CO 0.12 0.03 0.04 0.00 0.00 0.00 0.00 176.54 176.74 1n4r h ALA 278 N 1.33 1.53 -0.09 3.60 0.00 0.42 0.42 119.26 126.48 1n4r h ALA 278 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n4r h ALA 278 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n4r h ALA 278 CO -0.23 0.35 -0.03 1.15 0.00 0.00 0.00 179.25 180.49 1n4r h THR 279 N 0.42 1.30 -0.98 0.00 2.02 -1.12 -0.77 112.91 113.79 1n4r h THR 279 Ca 0.10 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1n4r h THR 279 Cb 0.21 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 1n4r h THR 279 CO 0.00 0.27 0.63 -0.07 0.37 0.00 0.00 175.52 176.73 1n4r h LEU 280 N -0.17 1.00 -0.38 2.58 3.38 -0.39 0.10 115.31 121.43 1n4r h LEU 280 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n4r h LEU 280 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1n4r h LEU 280 CO 0.01 0.63 0.18 0.50 0.09 0.00 0.00 178.44 179.85 1n4r h LYS 281 N 1.12 0.55 -0.00 1.13 1.63 -0.65 -1.03 116.57 119.32 1n4r h LYS 281 Ca 0.43 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 60.11 1n4r h LYS 281 Cb 0.21 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1n4r h LYS 281 CO -0.17 0.49 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.05 1n4r h LEU 282 N 0.47 0.00 -1.03 5.20 3.38 -0.02 -0.62 115.31 122.70 1n4r h LEU 282 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1n4r h LEU 282 Cb 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1n4r h LEU 282 CO -0.02 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1n4r n LEU 283 N -4.31 1.51 -2.38 1.67 4.77 -0.09 -4.93 117.00 113.24 1n4r n LEU 283 Ca -0.02 -0.70 -0.21 0.00 -0.03 0.00 0.00 56.01 55.04 1n4r n LEU 283 Cb 0.25 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1n4r n LEU 283 CO 0.37 0.35 -0.27 0.29 -1.33 0.00 0.00 177.39 176.80 1n4r n LYS 284 N 0.27 -1.67 -0.12 3.23 4.01 -0.24 -4.87 118.16 118.77 1n4r n LYS 284 Ca 0.13 1.02 0.02 0.00 -0.51 0.00 0.00 58.31 58.97 1n4r n LYS 284 Cb 0.27 -5.69 0.02 0.00 -0.51 0.00 0.00 35.03 29.13 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 -3.99 0.59 0.12 -0.18 -5.35 -0.50 -4.73 119.36 105.32 1n4r n ILE 285 Ca -0.25 -0.66 0.03 0.00 -0.27 0.00 0.00 62.75 61.61 1n4r n ILE 285 Cb 0.69 0.54 0.43 0.00 -1.74 0.00 0.00 39.64 39.56 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 0.25 -0.16 4.28 3.57 -1.81 -1.38 116.94 121.70 1n4r h PHE 286 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1n4r h PHE 286 Cb 0.96 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1n4r h PHE 286 CO 0.02 0.31 0.22 -0.56 -2.23 0.00 0.00 178.31 176.08 1n4r h GLN 287 N 0.24 0.00 -0.19 1.11 3.07 -1.89 -0.77 115.11 116.68 1n4r h GLN 287 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1n4r h GLN 287 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1n4r h GLN 287 CO 0.01 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.59 1n4r n TYR 288 N -3.58 0.24 -2.23 0.06 0.53 -0.52 -4.91 117.16 106.76 1n4r n TYR 288 Ca 0.01 -0.12 -0.26 0.00 -1.02 0.00 0.00 57.90 56.51 1n4r n TYR 288 Cb 0.33 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.71 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 -1.76 2.34 -0.48 -0.72 -4.23 -0.30 -5.02 115.64 105.48 1n4r s THR 289 Ca 0.33 -0.28 -0.23 0.00 -1.18 0.00 0.00 61.69 60.33 1n4r s THR 289 Cb 0.18 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1n4r s THR 289 CO 0.27 -0.02 0.81 0.21 -0.54 0.00 0.00 174.62 175.36 1n4r s ASN 290 N -4.51 6.39 0.00 3.99 3.84 -1.26 -4.95 114.94 118.44 1n4r s ASN 290 Ca 0.60 -0.21 -0.24 0.00 0.21 0.00 0.00 52.86 53.22 1n4r s ASN 290 Cb -0.11 -2.39 -0.18 0.00 -0.55 0.00 0.00 41.25 38.02 1n4r s ASN 290 CO 0.44 -0.99 1.31 -0.26 -2.79 0.00 0.00 177.10 174.82 1n4r h PHE 291 N 9.06 0.13 -0.08 0.43 0.05 -1.94 -3.24 116.94 121.34 1n4r h PHE 291 Ca -0.25 -0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.54 1n4r h PHE 291 Cb 1.08 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.96 1n4r h PHE 291 CO 0.82 0.55 -0.23 1.49 -0.18 0.00 0.00 178.31 180.76 1n4r h GLU 292 N -0.33 -0.30 -0.59 1.51 4.81 -1.97 0.63 114.58 118.34 1n4r h GLU 292 Ca 0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1n4r h GLU 292 Cb 0.52 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1n4r h GLU 292 CO 0.01 -0.20 0.32 0.87 -0.73 0.00 0.00 179.01 179.28 1n4r h LYS 293 N -0.31 0.81 0.18 1.92 1.57 -1.85 0.14 116.57 119.03 1n4r h LYS 293 Ca 0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1n4r h LYS 293 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1n4r h LYS 293 CO -0.26 0.60 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.16 1n4r h ASN 294 N 0.82 -0.21 -0.70 0.86 -1.24 -1.01 -1.70 115.58 112.41 1n4r h ASN 294 Ca 0.21 -0.26 0.06 0.00 0.71 0.00 0.00 56.30 57.02 1n4r h ASN 294 Cb 0.03 0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1n4r h ASN 294 CO -0.03 0.17 0.40 -0.09 -1.29 0.00 0.00 177.43 176.58 1n4r h ARG 295 N -0.61 0.72 -0.33 6.67 2.43 -0.64 -1.08 114.38 121.53 1n4r h ARG 295 Ca -0.03 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1n4r h ARG 295 Cb 0.45 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1n4r h ARG 295 CO 0.04 0.47 0.15 -0.91 -1.51 0.00 0.00 179.97 178.22 1n4r h ASN 296 N 0.74 0.22 0.43 -3.80 4.21 -0.68 -1.79 115.58 114.90 1n4r h ASN 296 Ca 0.31 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.82 1n4r h ASN 296 Cb 0.19 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1n4r h ASN 296 CO -0.18 0.17 -0.20 0.22 -1.29 0.00 0.00 177.43 176.14 1n4r h TYR 297 N 0.32 -0.53 -0.57 1.19 3.20 -0.61 -1.15 116.97 118.83 1n4r h TYR 297 Ca 0.14 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.11 1n4r h TYR 297 Cb 0.06 0.18 -0.11 0.00 1.54 0.00 0.00 36.73 38.40 1n4r h TYR 297 CO -0.11 -0.30 -0.15 0.82 -1.64 0.00 0.00 178.16 176.79 1n4r h ILE 298 N -0.63 0.42 -0.05 1.81 2.04 -1.12 0.73 117.51 120.71 1n4r h ILE 298 Ca -0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1n4r h ILE 298 Cb 0.47 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1n4r h ILE 298 CO 0.10 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.97 1n4r h LEU 299 N -0.01 0.08 -0.60 1.44 3.38 -1.20 -1.90 115.31 116.50 1n4r h LEU 299 Ca 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1n4r h LEU 299 Cb 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1n4r h LEU 299 CO -0.59 0.30 0.00 -1.54 0.09 0.00 0.00 178.44 176.70 1n4r n SER 300 N -4.26 0.40 -1.12 -0.43 3.41 0.23 -1.45 113.62 110.40 1n4r n SER 300 Ca -0.02 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 1n4r n SER 300 Cb 0.29 -0.70 0.26 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.97 0.97 -2.52 6.66 -2.24 -0.72 -4.28 114.28 110.18 1n4r n THR 301 Ca 0.01 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.40 1n4r n THR 301 Cb 0.14 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.02 4.55 -0.57 -0.78 0.74 -0.53 -1.01 119.66 121.05 1n4r s GLN 302 Ca 0.40 1.69 -0.21 0.00 0.05 0.00 0.00 55.36 57.29 1n4r s GLN 302 Cb 0.21 -3.32 0.07 0.00 1.10 0.00 0.00 33.01 31.07 1n4r s GLN 302 CO 0.28 -0.02 0.79 0.34 -0.55 0.00 0.00 175.29 176.13 1n4r s ASP 303 N 0.31 6.23 0.27 6.67 -1.08 -0.43 -4.90 116.67 123.74 1n4r s ASP 303 Ca 0.52 -0.89 0.22 0.00 -0.52 0.00 0.00 52.55 51.88 1n4r s ASP 303 Cb -0.28 -2.36 1.02 0.00 -1.46 0.00 0.00 42.92 39.84 1n4r s ASP 303 CO 0.32 -1.13 1.68 0.54 0.52 0.00 0.00 175.17 177.10 1n4r n ARG 304 N 6.85 0.17 -0.09 4.34 1.74 -1.26 -0.42 116.66 127.99 1n4r n ARG 304 Ca -0.05 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1n4r n ARG 304 Cb 0.45 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 1n4r n ARG 304 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n4r n LEU 305 N -2.22 1.86 0.00 0.55 -0.00 -1.26 -4.65 117.00 111.28 1n4r n LEU 305 Ca 0.01 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.62 1n4r n LEU 305 Cb 0.16 -0.86 -0.07 0.00 -0.00 0.00 0.00 43.42 42.65 1n4r n LEU 305 CO 0.16 -0.15 -0.14 1.33 -0.00 0.00 0.00 177.39 178.60 1n4r n VAL 306 N -4.50 0.04 0.00 1.96 0.24 -1.24 -5.09 118.33 109.73 1n4r n VAL 306 Ca -0.20 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1n4r n VAL 306 Cb 0.48 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.43 -0.18 0.42 7.63 0.00 0.44 -4.43 105.19 110.50 1n4r n GLY 307 Ca 0.02 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.32 -1.56 3.37 -0.02 0.00 -1.26 -4.29 105.19 101.12 1n4r n GLY 308 Ca 0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.51 1.86 0.50 1.61 0.40 -1.26 -1.32 117.98 118.25 1n4r s PHE 309 Ca 0.00 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1n4r s PHE 309 Cb 0.00 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 1n4r s PHE 309 CO 0.00 0.44 0.08 0.00 0.70 0.00 0.00 175.22 176.44 1n4r s ALA 310 N -2.72 4.00 0.13 5.36 0.00 -0.18 -2.75 121.76 125.61 1n4r s ALA 310 Ca 0.23 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1n4r s ALA 310 Cb -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1n4r s ALA 310 CO 0.09 -0.12 1.36 1.57 0.00 0.00 0.00 175.76 178.66 1n4r h LYS 311 N 1.31 0.61 -5.26 0.00 2.10 -1.88 -3.41 116.57 110.05 1n4r h LYS 311 Ca -0.43 -0.51 -0.39 0.00 -2.00 0.00 0.00 60.65 57.32 1n4r h LYS 311 Cb 1.30 0.11 -0.14 0.00 -0.90 0.00 0.00 32.23 32.59 1n4r h LYS 311 CO 0.72 1.13 -0.70 -1.58 -2.00 0.00 0.00 179.45 177.02 1n4r s TRP 312 N -3.66 1.55 0.52 0.07 0.51 -1.26 -2.22 118.94 114.45 1n4r s TRP 312 Ca -0.08 -0.75 -0.22 0.00 -2.12 0.00 0.00 56.10 52.93 1n4r s TRP 312 Cb 0.09 -0.82 -0.05 0.00 -0.81 0.00 0.00 33.47 31.88 1n4r s TRP 312 CO 0.88 0.15 1.29 -1.25 -0.51 0.00 0.00 176.95 177.50 1n4r s PRO 313 N -3.75 3.31 -1.34 4.98 0.04 -1.26 -2.94 135.00 134.03 1n4r s PRO 313 Ca 0.23 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.26 1n4r s PRO 313 Cb 0.03 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1n4r s PRO 313 CO 0.06 -1.00 1.08 -0.25 0.04 0.00 0.00 177.00 176.93 1n4r n ASP 314 N -0.92 -4.73 -4.28 6.66 8.00 -1.26 -5.00 116.55 115.01 1n4r n ASP 314 Ca 0.10 -0.61 -0.17 0.00 0.71 0.00 0.00 54.79 54.81 1n4r n ASP 314 Cb 0.46 -4.84 -0.10 0.00 -0.02 0.00 0.00 41.12 36.62 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n4r s SER 315 N -3.65 2.15 0.10 -2.24 0.15 -1.15 -5.12 113.70 103.93 1n4r s SER 315 Ca 0.41 -0.93 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 1n4r s SER 315 Cb -0.19 -0.08 -0.07 0.00 -1.71 0.00 0.00 66.02 63.98 1n4r s SER 315 CO 0.75 -0.20 1.27 -1.00 1.20 0.00 0.00 173.24 175.26 1n4r s HIS 316 N -2.73 3.36 0.53 3.44 3.76 -1.26 -4.66 115.29 117.73 1n4r s HIS 316 Ca 0.16 1.18 -0.18 0.00 -0.15 0.00 0.00 55.06 56.07 1n4r s HIS 316 Cb -0.02 -3.52 -0.07 0.00 1.11 0.00 0.00 32.58 30.08 1n4r s HIS 316 CO 0.04 -1.70 1.02 -1.25 -0.85 0.00 0.00 174.74 172.00 1n4r s PRO 317 N 0.93 3.72 0.15 8.40 0.04 -1.26 -4.62 135.00 142.35 1n4r s PRO 317 Ca 0.60 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 1n4r s PRO 317 Cb -0.33 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1n4r s PRO 317 CO 0.30 -0.48 0.23 0.16 0.04 0.00 0.00 177.00 177.26 1n4r s ASP 318 N -2.59 0.10 0.21 6.66 1.47 -1.11 -4.97 116.67 116.44 1n4r s ASP 318 Ca 0.63 -0.91 -0.09 0.00 1.18 0.00 0.00 52.55 53.36 1n4r s ASP 318 Cb -0.14 0.40 0.27 0.00 -0.34 0.00 0.00 42.92 43.12 1n4r s ASP 318 CO 0.28 -0.84 1.75 0.00 0.68 0.00 0.00 175.17 177.04 1n4r h ALA 319 N 2.63 0.79 0.06 2.11 0.00 -1.97 -1.20 119.26 121.68 1n4r h ALA 319 Ca -0.33 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1n4r h ALA 319 Cb 1.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1n4r h ALA 319 CO 0.51 -0.18 -0.13 1.25 0.00 0.00 0.00 179.25 180.71 1n4r h LEU 320 N 0.43 -0.35 -0.90 0.00 6.46 -1.95 -0.33 115.31 118.66 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 0.36 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1n4r h LEU 320 CO -0.30 -0.18 -0.54 0.45 -0.62 0.00 0.00 178.44 177.25 1n4r h HIS 321 N -0.24 0.02 -0.13 1.25 3.86 -1.75 -1.34 115.15 116.82 1n4r h HIS 321 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1n4r h HIS 321 Cb 0.27 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1n4r h HIS 321 CO -0.16 0.56 0.03 0.00 0.86 0.00 0.00 177.93 179.23 1n4r h ALA 322 N 1.44 0.17 -0.04 2.45 0.00 -0.94 0.21 119.26 122.55 1n4r h ALA 322 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1n4r h ALA 322 Cb 0.96 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n4r h ALA 322 CO 0.07 -0.20 0.01 -0.92 0.00 0.00 0.00 179.25 178.20 1n4r h TYR 323 N 0.01 0.08 0.00 0.00 3.20 -0.94 -2.28 116.97 117.04 1n4r h TYR 323 Ca 0.04 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1n4r h TYR 323 Cb 0.24 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1n4r h TYR 323 CO 0.00 0.30 -0.44 0.74 -1.64 0.00 0.00 178.16 177.13 1n4r h PHE 324 N -0.17 0.00 -0.45 -3.82 -1.00 -1.25 -0.59 116.94 109.66 1n4r h PHE 324 Ca 0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 1n4r h PHE 324 Cb 0.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1n4r h PHE 324 CO 0.01 0.44 -0.24 0.78 -1.61 0.00 0.00 178.31 177.69 1n4r h GLY 325 N 1.95 1.00 0.99 -1.45 0.00 -0.55 0.10 103.07 105.12 1n4r h GLY 325 Ca -0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 47.33 46.33 1n4r h GLY 325 CO 0.06 0.81 -0.20 -2.22 0.00 0.00 0.00 176.54 174.98 1n4r h ILE 326 N 0.79 1.29 -0.15 2.60 2.04 -1.09 -1.26 117.51 121.72 1n4r h ILE 326 Ca 0.10 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 1n4r h ILE 326 Cb 0.80 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1n4r h ILE 326 CO 0.07 0.44 -0.13 0.00 0.00 0.00 0.00 178.15 178.52 1n4r h GLY 328 N 0.76 0.90 1.03 0.00 0.00 -0.43 -2.36 103.07 102.96 1n4r h GLY 328 Ca 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1n4r h GLY 328 CO 0.02 0.56 0.17 1.41 0.00 0.00 0.00 176.54 178.70 1n4r h LEU 329 N 0.71 0.95 -1.74 3.11 4.07 -0.54 -2.75 115.31 119.12 1n4r h LEU 329 Ca 0.15 -0.22 0.06 0.00 0.08 0.00 0.00 57.88 57.95 1n4r h LEU 329 Cb 0.41 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1n4r h LEU 329 CO 0.01 0.92 0.29 -1.28 -1.08 0.00 0.00 178.44 177.31 1n4r h SER 330 N 0.93 0.28 0.21 -0.43 0.87 -0.66 -1.73 113.55 113.01 1n4r h SER 330 Ca 0.20 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1n4r h SER 330 Cb 0.33 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1n4r h SER 330 CO -0.00 0.18 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.30 1n4r h LEU 331 N 0.31 0.00 -3.25 2.23 4.07 -1.11 -0.32 115.31 117.24 1n4r h LEU 331 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1n4r h LEU 331 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1n4r h LEU 331 CO -0.04 0.11 0.00 0.23 -1.08 0.00 0.00 178.44 177.66 1n4r n MET 332 N -3.96 3.86 -3.17 1.13 2.81 -0.66 -4.98 117.12 112.14 1n4r n MET 332 Ca -0.02 -2.90 -0.19 0.00 -1.81 0.00 0.00 57.70 52.78 1n4r n MET 332 Cb 0.20 -1.94 0.02 0.00 -0.71 0.00 0.00 33.22 30.79 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 0.71 -2.05 -3.01 0.03 1.02 -0.13 -4.95 120.64 112.26 1n4r n GLU 333 Ca 0.25 1.72 -0.38 0.00 -0.02 0.00 0.00 57.16 58.72 1n4r n GLU 333 Cb 0.94 -4.23 -0.06 0.00 -0.02 0.00 0.00 31.44 28.07 1n4r n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n4r s GLU 334 N -2.79 4.47 -0.11 3.49 2.56 -1.15 -4.98 118.70 120.19 1n4r s GLU 334 Ca 0.25 1.08 -0.29 0.00 0.00 0.00 0.00 54.97 56.00 1n4r s GLU 334 Cb -0.05 -3.13 -0.05 0.00 2.00 0.00 0.00 34.13 32.90 1n4r s GLU 334 CO 0.81 0.51 1.84 0.45 -0.56 0.00 0.00 175.26 178.32 1n4r s SER 335 N -1.31 6.27 0.00 -1.70 0.15 -1.26 -2.56 113.70 113.30 1n4r s SER 335 Ca 0.38 2.09 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1n4r s SER 335 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1n4r s SER 335 CO 0.24 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1n4r n GLY 336 N 4.74 0.84 2.96 9.45 0.00 -1.26 -5.05 105.19 116.87 1n4r n GLY 336 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 1.08 0.87 -0.61 1.01 -1.06 -4.76 121.20 115.73 1n4r s ILE 337 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 1n4r s ILE 337 Cb 0.00 -1.04 0.06 0.00 0.01 0.00 0.00 42.46 41.48 1n4r s ILE 337 CO 0.00 0.36 0.78 0.00 0.00 0.00 0.00 174.94 176.08 1n4r s LYS 339 N -3.80 4.59 -0.05 0.00 2.20 -1.26 -4.80 119.74 116.62 1n4r s LYS 339 Ca 0.65 1.85 -0.02 0.00 -0.36 0.00 0.00 55.97 58.09 1n4r s LYS 339 Cb -0.26 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1n4r s LYS 339 CO 0.60 0.13 0.06 0.54 -0.36 0.00 0.00 175.35 176.32 1n4r s VAL 340 N -0.99 4.69 -0.78 4.02 0.11 -1.26 -0.59 120.40 125.60 1n4r s VAL 340 Ca 0.46 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 1n4r s VAL 340 Cb -0.33 -3.08 0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1n4r s VAL 340 CO 0.41 0.47 1.29 -2.28 -3.33 0.00 0.00 175.10 171.66 1n4r s HIS 341 N -1.07 2.34 0.55 1.54 2.46 0.12 -4.78 115.29 116.45 1n4r s HIS 341 Ca 0.19 -0.19 0.35 0.00 0.47 0.00 0.00 55.06 55.87 1n4r s HIS 341 Cb -0.12 -4.62 1.51 0.00 -0.13 0.00 0.00 32.58 29.22 1n4r s HIS 341 CO 0.09 -2.04 1.79 -1.00 -2.47 0.00 0.00 174.74 171.11 1n4r h PRO 342 N 9.97 0.00 0.02 2.88 0.13 -1.92 0.18 132.00 143.26 1n4r h PRO 342 Ca -0.21 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.60 1n4r h PRO 342 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1n4r h PRO 342 CO 1.30 0.00 -1.87 0.00 -0.23 0.00 0.00 178.00 177.20 1n4r n ALA 343 N -2.69 1.40 0.49 -0.56 0.00 -1.26 -4.28 120.51 113.61 1n4r n ALA 343 Ca 0.23 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.96 1n4r n ALA 343 Cb 1.19 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.08 0.57 -3.13 0.00 7.94 -0.94 -4.88 117.00 113.48 1n4r n LEU 344 Ca -0.22 -0.05 -0.15 0.00 -1.11 0.00 0.00 56.01 54.48 1n4r n LEU 344 Cb 1.06 -0.07 0.08 0.00 0.53 0.00 0.00 43.42 45.02 1n4r n LEU 344 CO 0.44 0.04 0.11 -3.20 -1.11 0.00 0.00 177.39 173.67 1n4r n ASN 345 N -2.01 -2.34 -3.93 1.96 5.15 0.59 -5.03 115.26 109.65 1n4r n ASN 345 Ca 0.01 -0.54 -0.09 0.00 -0.60 0.00 0.00 54.58 53.36 1n4r n ASN 345 Cb 0.45 -4.54 -0.07 0.00 -0.53 0.00 0.00 39.78 35.10 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 0.09 0.60 3.44 -7.23 -1.24 -4.98 120.40 107.76 1n4r s VAL 346 Ca 0.04 -1.32 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1n4r s VAL 346 Cb -0.02 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1n4r s VAL 346 CO 0.64 -0.40 1.19 -0.94 -0.31 0.00 0.00 175.10 175.27 1n4r s SER 347 N -2.93 5.23 0.52 4.85 1.04 -1.26 0.11 113.70 121.25 1n4r s SER 347 Ca 0.13 2.32 0.17 0.00 0.48 0.00 0.00 55.95 59.05 1n4r s SER 347 Cb 0.04 -2.59 1.28 0.00 0.10 0.00 0.00 66.02 64.84 1n4r s SER 347 CO -0.03 -1.56 2.14 0.71 0.98 0.00 0.00 173.24 175.47 1n4r h THR 348 N 0.82 0.98 -0.65 2.02 1.35 -1.15 0.42 112.91 116.70 1n4r h THR 348 Ca -0.50 -0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1n4r h THR 348 Cb 1.29 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1n4r h THR 348 CO 0.55 0.00 0.41 -0.09 -0.25 0.00 0.00 175.52 176.15 1n4r h ARG 349 N 0.01 0.80 -0.17 4.72 2.43 -1.90 0.25 114.38 120.52 1n4r h ARG 349 Ca 0.02 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1n4r h ARG 349 Cb 0.09 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1n4r h ARG 349 CO -0.00 0.53 -0.72 1.15 -1.51 0.00 0.00 179.97 179.42 1n4r h THR 350 N 0.83 1.29 -0.50 0.20 2.02 -1.33 -1.20 112.91 114.22 1n4r h THR 350 Ca 0.25 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 1n4r h THR 350 Cb -0.03 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1n4r h THR 350 CO -0.08 0.61 0.18 0.77 0.37 0.00 0.00 175.52 177.38 1n4r h SER 351 N 0.53 0.70 -0.56 4.18 4.64 -0.89 0.28 113.55 122.42 1n4r h SER 351 Ca -0.03 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1n4r h SER 351 Cb 1.33 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1n4r h SER 351 CO 0.15 0.69 0.21 -0.33 -0.87 0.00 0.00 176.83 176.68 1n4r h GLU 352 N 0.67 0.86 -0.13 4.77 5.08 -0.95 -0.25 114.58 124.63 1n4r h GLU 352 Ca 0.16 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n4r h GLU 352 Cb 0.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1n4r h GLU 352 CO -0.01 0.76 0.07 -0.09 -1.00 0.00 0.00 179.01 178.74 1n4r h ARG 353 N 0.78 0.17 -0.04 2.33 1.12 -0.82 -0.63 114.38 117.29 1n4r h ARG 353 Ca 0.19 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.87 1n4r h ARG 353 Cb 0.24 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 1n4r h ARG 353 CO -0.01 0.12 -0.75 1.25 -3.11 0.00 0.00 179.97 177.47 1n4r h LEU 354 N 0.17 0.30 0.10 3.80 5.85 0.34 -2.35 115.31 123.51 1n4r h LEU 354 Ca 0.05 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1n4r h LEU 354 Cb -0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1n4r h LEU 354 CO -0.01 0.94 -0.05 0.03 -0.34 0.00 0.00 178.44 179.02 1n4r h ARG 355 N 0.16 -0.12 -0.45 1.25 -0.00 0.46 -0.88 114.38 114.81 1n4r h ARG 355 Ca -0.03 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.52 1n4r h ARG 355 Cb 1.32 0.03 -0.05 0.00 0.00 0.00 0.00 29.97 31.27 1n4r h ARG 355 CO 0.12 -0.03 0.15 -0.44 0.00 0.00 0.00 179.97 179.77 1n4r h ASP 356 N -0.19 0.14 -0.35 7.04 3.32 -1.40 0.61 116.42 125.61 1n4r h ASP 356 Ca -0.01 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1n4r h ASP 356 Cb 0.15 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1n4r h ASP 356 CO 0.02 0.12 0.25 0.25 -1.72 0.00 0.00 179.24 178.15 1n4r h LEU 357 N 0.31 0.08 0.02 1.55 6.46 -1.09 -1.22 115.31 121.42 1n4r h LEU 357 Ca 0.21 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.82 1n4r h LEU 357 Cb 0.21 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1n4r h LEU 357 CO -0.22 0.05 -0.60 0.45 -0.62 0.00 0.00 178.44 177.50 1n4r h HIS 358 N 0.09 0.56 -0.01 1.25 3.86 0.47 -3.15 115.15 118.21 1n4r h HIS 358 Ca 0.16 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1n4r h HIS 358 Cb 0.54 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1n4r h HIS 358 CO -0.00 1.15 -0.09 1.96 0.86 0.00 0.00 177.93 181.82 1n4r h GLN 359 N -0.20 -0.10 -1.02 2.45 1.08 0.16 -1.04 115.11 116.46 1n4r h GLN 359 Ca -0.08 0.01 0.36 0.00 -1.45 0.00 0.00 58.65 57.49 1n4r h GLN 359 Cb 1.34 0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 28.63 1n4r h GLN 359 CO 0.12 -0.06 0.57 0.66 -0.95 0.00 0.00 178.83 179.16 1n4r h SER 360 N -0.10 0.43 -0.69 1.46 4.64 -1.50 1.24 113.55 119.03 1n4r h SER 360 Ca 0.00 0.21 0.09 0.00 -0.47 0.00 0.00 61.79 61.63 1n4r h SER 360 Cb 0.11 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1n4r h SER 360 CO -0.06 -0.25 0.46 -0.50 -0.87 0.00 0.00 176.83 175.60 1n4r h TRP 361 N 0.19 0.63 -0.25 4.77 6.55 -1.15 -3.32 115.95 123.38 1n4r h TRP 361 Ca 0.78 0.02 -0.58 0.00 0.95 0.00 0.00 58.89 60.06 1n4r h TRP 361 Cb 1.93 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 30.02 1n4r h TRP 361 CO -0.01 0.31 2.12 1.63 -1.05 0.00 0.00 178.44 181.44 1n4r n LYS 362 N -4.49 2.02 0.00 0.49 4.01 0.43 -5.11 118.16 115.51 1n4r n LYS 362 Ca 0.11 -2.36 0.00 0.00 -0.51 0.00 0.00 58.31 55.56 1n4r n LYS 362 Cb 0.32 -3.28 0.00 0.00 -0.51 0.00 0.00 35.03 31.56 1n4r n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54