#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 3.04 -0.46 -1.43 3.84 -1.26 -5.10 116.67 115.31 1n4r s ASP 19 Ca 0.00 -0.98 -0.27 0.00 -0.00 0.00 0.00 52.55 51.30 1n4r s ASP 19 Cb 0.00 -0.21 0.03 0.00 -1.38 0.00 0.00 42.92 41.36 1n4r s ASP 19 CO 0.00 -0.04 1.02 0.12 -0.00 0.00 0.00 175.17 176.27 1n4r s PHE 20 N -2.53 2.90 -0.97 2.11 5.36 -1.26 -4.94 117.98 118.66 1n4r s PHE 20 Ca 0.24 0.59 -0.08 0.00 -0.96 0.00 0.00 56.93 56.72 1n4r s PHE 20 Cb -0.04 -4.13 -0.14 0.00 -0.34 0.00 0.00 43.02 38.37 1n4r s PHE 20 CO 0.10 -1.14 2.98 1.28 -1.46 0.00 0.00 175.22 176.98 1n4r n LEU 21 N 7.41 6.86 -0.35 6.12 4.32 -1.26 -4.79 117.00 135.31 1n4r n LEU 21 Ca 0.09 -3.67 0.04 0.00 -0.02 0.00 0.00 56.01 52.45 1n4r n LEU 21 Cb 0.49 -1.40 0.11 0.00 -1.62 0.00 0.00 43.42 41.00 1n4r n LEU 21 CO 0.67 1.68 0.65 -0.09 -1.22 0.00 0.00 177.39 179.08 1n4r h ARG 22 N 4.58 -0.00 -0.88 3.23 2.43 -1.99 -1.27 114.38 120.48 1n4r h ARG 22 Ca 0.58 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.76 1n4r h ARG 22 Cb 0.65 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1n4r h ARG 22 CO 1.21 -0.00 0.58 -0.44 -1.51 0.00 0.00 179.97 179.81 1n4r h ASP 23 N -0.00 1.00 0.02 -3.80 3.32 -2.00 -1.98 116.42 112.97 1n4r h ASP 23 Ca 0.44 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 1n4r h ASP 23 Cb 0.69 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1n4r h ASP 23 CO -0.99 0.72 -0.24 -0.09 -1.72 0.00 0.00 179.24 176.92 1n4r h ARG 24 N 1.18 0.37 0.00 3.56 2.43 -1.66 -2.11 114.38 118.15 1n4r h ARG 24 Ca 0.32 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1n4r h ARG 24 Cb -0.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1n4r h ARG 24 CO -0.07 0.59 -0.42 0.45 -1.51 0.00 0.00 179.97 179.01 1n4r h HIS 25 N 0.33 0.00 -0.23 2.20 3.86 -1.01 0.00 115.15 120.31 1n4r h HIS 25 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1n4r h HIS 25 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1n4r h HIS 25 CO 0.01 0.42 -0.05 0.28 0.86 0.00 0.00 177.93 179.45 1n4r h VAL 26 N 0.00 1.28 -0.68 2.45 2.07 -0.74 -1.19 116.25 119.45 1n4r h VAL 26 Ca -0.00 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1n4r h VAL 26 Cb 0.86 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1n4r h VAL 26 CO 0.05 0.32 0.41 0.03 0.02 0.00 0.00 177.57 178.40 1n4r h ARG 27 N 0.17 0.92 0.02 1.57 2.47 -1.04 -1.24 114.38 117.24 1n4r h ARG 27 Ca 0.06 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1n4r h ARG 27 Cb 0.50 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1n4r h ARG 27 CO 0.02 0.65 -0.14 0.35 0.56 0.00 0.00 179.97 181.41 1n4r h PHE 28 N 0.92 -0.36 -0.74 3.04 3.57 -0.79 0.21 116.94 122.79 1n4r h PHE 28 Ca 0.24 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 1n4r h PHE 28 Cb -0.03 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1n4r h PHE 28 CO -0.02 -0.21 0.34 0.74 -2.23 0.00 0.00 178.31 176.94 1n4r h PHE 29 N -0.24 1.06 -0.89 0.41 0.05 -0.98 -1.73 116.94 114.61 1n4r h PHE 29 Ca 0.04 -0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.78 1n4r h PHE 29 Cb 0.30 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 37.88 1n4r h PHE 29 CO -0.19 0.78 0.54 0.37 -0.18 0.00 0.00 178.31 179.63 1n4r h GLN 30 N 1.05 1.21 -0.36 1.51 4.15 -0.78 -1.85 115.11 120.04 1n4r h GLN 30 Ca 0.25 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 1n4r h GLN 30 Cb 0.12 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1n4r h GLN 30 CO -0.03 0.84 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.56 1n4r h ARG 31 N 1.22 0.60 -0.67 1.69 2.43 -0.31 -2.86 114.38 116.49 1n4r h ARG 31 Ca 0.32 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1n4r h ARG 31 Cb -0.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1n4r h ARG 31 CO -0.06 0.67 0.20 0.00 -1.51 0.00 0.00 179.97 179.27 1n4r n LEU 33 N -4.26 0.65 0.00 0.00 7.99 -1.03 -4.57 117.00 115.77 1n4r n LEU 33 Ca 0.05 0.64 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1n4r n LEU 33 Cb 0.23 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1n4r n LEU 33 CO 0.41 -0.47 0.00 0.00 -1.51 0.00 0.00 177.39 175.82 1n4r n GLN 34 N -2.19 0.00 -4.30 3.23 6.02 -0.95 -5.05 117.38 114.13 1n4r n GLN 34 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.83 1n4r n GLN 34 Cb 0.26 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.39 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 0.19 0.93 0.07 5.09 1.01 -1.25 -5.14 120.40 121.30 1n4r s VAL 35 Ca 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1n4r s VAL 35 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1n4r s VAL 35 CO 0.00 -0.01 -0.24 -0.76 0.00 0.00 0.00 175.10 174.09 1n4r s LEU 36 N -1.00 2.21 0.87 3.92 1.43 -1.26 -4.91 118.68 119.95 1n4r s LEU 36 Ca 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1n4r s LEU 36 Cb -0.07 -1.13 0.11 0.00 0.03 0.00 0.00 46.19 45.13 1n4r s LEU 36 CO 0.01 0.19 1.10 -2.84 0.23 0.00 0.00 176.35 175.03 1n4r s PRO 37 N -1.47 1.46 0.54 1.29 0.02 -1.26 -4.90 135.00 130.68 1n4r s PRO 37 Ca 0.10 1.06 0.36 0.00 0.02 0.00 0.00 61.00 62.54 1n4r s PRO 37 Cb -0.10 -1.81 1.96 0.00 0.02 0.00 0.00 34.50 34.57 1n4r s PRO 37 CO 0.03 -2.17 2.10 1.49 -0.33 0.00 0.00 177.00 178.13 1n4r h GLU 38 N -1.51 0.00 0.00 5.54 4.81 -2.03 -2.42 114.58 118.97 1n4r h GLU 38 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1n4r h GLU 38 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1n4r h GLU 38 CO 0.51 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.68 1n4r n ARG 39 N -2.77 0.17 -0.52 1.92 1.85 -1.26 -1.64 116.66 114.42 1n4r n ARG 39 Ca -0.02 0.16 0.06 0.00 -1.00 0.00 0.00 57.85 57.04 1n4r n ARG 39 Cb 0.06 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.21 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 -1.24 1.00 0.22 2.89 4.02 -0.91 -4.69 117.16 118.45 1n4r n TYR 40 Ca 0.05 -1.02 0.17 0.00 -0.01 0.00 0.00 57.90 57.10 1n4r n TYR 40 Cb 0.07 -0.36 0.84 0.00 -0.02 0.00 0.00 39.34 39.88 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 1.64 0.00 0.21 7.72 4.64 -1.52 -0.98 113.55 125.26 1n4r h SER 41 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n4r h SER 41 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1n4r h SER 41 CO 0.27 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.69 1n4r n SER 42 N -3.80 0.00 0.01 4.97 3.41 -1.26 -2.14 113.62 114.81 1n4r n SER 42 Ca 0.01 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1n4r n SER 42 Cb 0.30 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.17 0.64 -0.34 1.04 4.77 -0.37 -4.61 117.00 116.96 1n4r n LEU 43 Ca 0.11 -0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1n4r n LEU 43 Cb 0.12 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1n4r n LEU 43 CO 0.13 0.11 0.42 1.21 -1.33 0.00 0.00 177.39 177.93 1n4r n GLU 44 N -1.82 -0.33 0.00 3.23 4.07 -0.91 0.51 120.64 125.39 1n4r n GLU 44 Ca 0.02 1.25 0.05 0.00 -0.06 0.00 0.00 57.16 58.43 1n4r n GLU 44 Cb 0.41 -1.85 0.31 0.00 -0.06 0.00 0.00 31.44 30.26 1n4r n GLU 44 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1n4r n THR 45 N -5.07 0.00 -2.66 6.31 -2.24 -1.26 -2.80 114.28 106.56 1n4r n THR 45 Ca 0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1n4r n THR 45 Cb 0.24 -0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.75 1.11 0.11 3.42 3.41 0.18 -4.10 113.62 117.01 1n4r n SER 46 Ca 0.08 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.70 1n4r n SER 46 Cb 0.04 -0.33 0.41 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 1.75 0.27 -0.12 4.33 3.08 -1.16 -2.20 114.38 120.33 1n4r h ARG 47 Ca -0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1n4r h ARG 47 Cb 1.55 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1n4r h ARG 47 CO 0.11 0.35 0.01 1.25 -1.07 0.00 0.00 179.97 180.62 1n4r h LEU 48 N 0.26 0.15 -0.42 3.04 5.85 -1.60 0.17 115.31 122.76 1n4r h LEU 48 Ca 0.06 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1n4r h LEU 48 Cb 0.28 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1n4r h LEU 48 CO 0.01 0.18 -0.68 0.71 -0.34 0.00 0.00 178.44 178.32 1n4r h THR 49 N 0.17 1.33 -0.18 1.05 1.35 -1.70 -1.13 112.91 113.80 1n4r h THR 49 Ca 0.04 -2.45 -0.16 0.00 -0.55 0.00 0.00 66.41 63.29 1n4r h THR 49 Cb 0.10 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1n4r h THR 49 CO -0.00 0.66 -0.56 0.40 -0.25 0.00 0.00 175.52 175.77 1n4r h ILE 50 N 0.00 1.32 -0.38 6.82 1.08 -1.17 -1.14 117.51 124.04 1n4r h ILE 50 Ca -0.01 -1.82 -0.00 0.00 -0.39 0.00 0.00 64.86 62.64 1n4r h ILE 50 Cb 1.33 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 1n4r h ILE 50 CO 0.09 0.57 0.22 0.00 -0.69 0.00 0.00 178.15 178.34 1n4r h ALA 51 N 0.95 0.49 -0.40 1.87 0.00 -0.77 -1.81 119.26 119.60 1n4r h ALA 51 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1n4r h ALA 51 Cb 1.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1n4r h ALA 51 CO 0.11 -0.00 0.13 0.35 0.00 0.00 0.00 179.25 179.84 1n4r h PHE 52 N 0.50 0.23 -0.86 0.00 3.57 -0.90 0.37 116.94 119.86 1n4r h PHE 52 Ca 0.14 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1n4r h PHE 52 Cb 0.02 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1n4r h PHE 52 CO -0.03 0.08 0.57 0.74 -2.23 0.00 0.00 178.31 177.44 1n4r h PHE 53 N 0.29 1.07 -0.05 0.41 0.05 -0.87 -0.04 116.94 117.80 1n4r h PHE 53 Ca 0.19 0.03 -0.20 0.00 3.82 0.00 0.00 57.97 61.81 1n4r h PHE 53 Cb 0.18 -0.36 0.01 0.00 2.00 0.00 0.00 35.95 37.78 1n4r h PHE 53 CO -0.16 0.67 -0.73 0.00 -0.18 0.00 0.00 178.31 177.91 1n4r h ALA 54 N 1.32 0.16 -0.06 2.45 0.00 -0.72 -1.04 119.26 121.38 1n4r h ALA 54 Ca 0.32 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1n4r h ALA 54 Cb -0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n4r h ALA 54 CO -0.07 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.49 1n4r h LEU 55 N 0.21 0.22 -1.22 0.00 3.38 -0.17 0.49 115.31 118.22 1n4r h LEU 55 Ca -0.08 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 1n4r h LEU 55 Cb 1.40 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1n4r h LEU 55 CO 0.15 0.75 -0.25 -1.28 0.09 0.00 0.00 178.44 177.90 1n4r h SER 56 N -0.30 0.22 -0.21 -0.43 0.87 -1.13 0.17 113.55 112.73 1n4r h SER 56 Ca 0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1n4r h SER 56 Cb 0.72 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1n4r h SER 56 CO 0.03 0.48 0.08 1.23 -0.53 0.00 0.00 176.83 178.11 1n4r h GLY 57 N 0.95 0.34 0.93 5.77 0.00 -1.06 0.11 103.07 110.12 1n4r h GLY 57 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1n4r h GLY 57 CO 0.04 0.18 0.10 1.41 0.00 0.00 0.00 176.54 178.27 1n4r h LEU 58 N 0.18 0.57 -0.22 3.11 3.38 -0.39 -2.43 115.31 119.51 1n4r h LEU 58 Ca 0.07 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1n4r h LEU 58 Cb 0.20 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1n4r h LEU 58 CO -0.00 0.65 -0.17 -0.78 0.09 0.00 0.00 178.44 178.23 1n4r h ASP 59 N 0.47 -0.53 -0.42 -0.43 -0.00 -0.49 0.14 116.42 115.16 1n4r h ASP 59 Ca 0.12 0.11 0.12 0.00 -0.00 0.00 0.00 57.03 57.38 1n4r h ASP 59 Cb 0.30 0.27 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1n4r h ASP 59 CO 0.00 -0.21 0.33 -0.03 -0.00 0.00 0.00 179.24 179.33 1n4r h MET 60 N -0.17 0.00 -0.63 0.28 4.05 -0.55 0.45 114.93 118.36 1n4r h MET 60 Ca 0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1n4r h MET 60 Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1n4r h MET 60 CO -0.32 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.10 1n4r n LEU 61 N -4.23 3.84 -3.62 3.39 4.77 0.25 -0.99 117.00 120.41 1n4r n LEU 61 Ca 0.07 -1.84 -0.25 0.00 -0.03 0.00 0.00 56.01 53.96 1n4r n LEU 61 Cb 0.52 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1n4r n LEU 61 CO 0.34 0.92 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.59 1n4r n ASP 62 N 1.63 -4.22 -1.01 -1.43 2.03 0.16 -4.92 116.55 108.79 1n4r n ASP 62 Ca 0.23 -0.90 0.03 0.00 0.52 0.00 0.00 54.79 54.66 1n4r n ASP 62 Cb 0.62 -3.90 0.02 0.00 -0.72 0.00 0.00 41.12 37.14 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 -2.90 0.63 0.22 1.67 7.64 -0.50 -4.85 113.62 115.53 1n4r n SER 63 Ca -0.15 -2.08 0.15 0.00 1.01 0.00 0.00 58.87 57.79 1n4r n SER 63 Cb 0.62 -0.27 0.78 0.00 -1.01 0.00 0.00 64.21 64.34 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 0.55 0.00 -2.10 -3.43 3.38 -1.90 -2.36 115.31 109.46 1n4r h LEU 64 Ca -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1n4r h LEU 64 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1n4r h LEU 64 CO 0.05 0.00 -0.08 -2.24 0.09 0.00 0.00 178.44 176.26 1n4r h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -2.55 116.42 113.52 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 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1n4r h ASP 65 CO 0.00 0.08 0.00 1.33 -1.03 0.00 0.00 179.24 179.62 1n4r n VAL 66 N -3.68 0.00 -4.37 4.15 0.24 -0.89 -4.77 118.33 109.01 1n4r n VAL 66 Ca -0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.09 1n4r n VAL 66 Cb 0.19 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.14 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 1.41 -1.00 3.34 -7.23 -0.96 -5.08 120.40 108.88 1n4r s VAL 67 Ca 0.13 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 1n4r s VAL 67 Cb 0.06 -2.31 0.17 0.00 0.56 0.00 0.00 36.38 34.87 1n4r s VAL 67 CO 0.10 -0.39 1.13 0.21 -0.31 0.00 0.00 175.10 175.85 1n4r s ASN 68 N -3.36 6.83 0.29 4.85 3.84 -1.26 -4.90 114.94 121.23 1n4r s ASN 68 Ca 0.27 -2.54 0.02 0.00 0.21 0.00 0.00 52.86 50.82 1n4r s ASN 68 Cb 0.04 -2.35 0.70 0.00 -0.55 0.00 0.00 41.25 39.09 1n4r s ASN 68 CO 0.09 -0.82 1.67 0.11 -2.79 0.00 0.00 177.10 175.36 1n4r h LYS 69 N 8.02 0.27 -0.67 0.43 1.57 -1.94 -1.30 116.57 122.95 1n4r h LYS 69 Ca 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1n4r h LYS 69 Cb 0.98 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1n4r h LYS 69 CO 1.06 0.18 0.37 -0.44 -0.57 0.00 0.00 179.45 180.05 1n4r h ASP 70 N 0.28 0.85 0.12 0.86 3.32 -1.92 -0.98 116.42 118.95 1n4r h ASP 70 Ca 0.54 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1n4r h ASP 70 Cb 1.06 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1n4r h ASP 70 CO -0.59 0.70 -0.06 0.44 -1.72 0.00 0.00 179.24 178.01 1n4r h ASP 71 N 0.92 -0.13 -0.59 6.45 3.32 -1.67 -2.59 116.42 122.13 1n4r h ASP 71 Ca 0.24 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1n4r h ASP 71 Cb 0.05 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1n4r h ASP 71 CO -0.04 0.02 0.39 0.40 -1.72 0.00 0.00 179.24 178.29 1n4r h ILE 72 N -0.28 1.13 -0.66 0.35 2.04 -1.31 -1.42 117.51 117.35 1n4r h ILE 72 Ca -0.02 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1n4r h ILE 72 Cb 0.23 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1n4r h ILE 72 CO 0.03 0.14 0.18 0.40 0.00 0.00 0.00 178.15 178.90 1n4r h ILE 73 N 0.76 1.25 -0.50 -0.67 2.04 -0.98 -0.87 117.51 118.54 1n4r h ILE 73 Ca 0.22 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 65.07 1n4r h ILE 73 Cb -0.04 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1n4r h ILE 73 CO -0.05 0.34 -0.16 -0.33 0.00 0.00 0.00 178.15 177.95 1n4r h GLU 74 N 0.99 0.97 -0.30 2.37 4.39 -0.92 -1.50 114.58 120.57 1n4r h GLU 74 Ca 0.21 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1n4r h GLU 74 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1n4r h GLU 74 CO -0.00 1.04 0.18 2.35 -1.16 0.00 0.00 179.01 181.42 1n4r h TRP 75 N 0.85 0.40 -0.29 4.33 7.01 -0.93 -1.58 115.95 125.73 1n4r h TRP 75 Ca 0.12 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1n4r h TRP 75 Cb 0.72 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1n4r h TRP 75 CO 0.05 0.31 0.18 0.82 -2.79 0.00 0.00 178.44 177.00 1n4r h ILE 76 N 0.38 1.10 0.00 2.65 2.04 -1.02 -2.08 117.51 120.58 1n4r h ILE 76 Ca 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1n4r h ILE 76 Cb 0.03 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1n4r h ILE 76 CO -0.02 0.10 -0.02 1.88 0.00 0.00 0.00 178.15 180.09 1n4r h TYR 77 N 0.38 0.00 0.00 1.37 0.05 -1.01 0.84 116.97 118.60 1n4r h TYR 77 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1n4r h TYR 77 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1n4r h TYR 77 CO -0.04 0.02 0.00 -1.13 -1.05 0.00 0.00 178.16 175.96 1n4r n SER 78 N -3.25 0.26 -0.36 3.88 3.41 -0.62 -2.48 113.62 114.47 1n4r n SER 78 Ca -0.02 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1n4r n SER 78 Cb 0.17 -0.61 0.25 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 -1.77 1.44 -4.71 1.04 4.77 0.29 -4.61 117.00 113.45 1n4r n LEU 79 Ca 0.05 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 1n4r n LEU 79 Cb 0.28 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1n4r n LEU 79 CO 0.22 0.27 0.76 -1.58 -1.33 0.00 0.00 177.39 175.72 1n4r s GLN 80 N -2.45 4.53 -0.63 3.23 0.74 -1.08 -0.25 119.66 123.75 1n4r s GLN 80 Ca 0.23 1.56 -0.21 0.00 0.05 0.00 0.00 55.36 56.99 1n4r s GLN 80 Cb 0.19 -3.40 0.08 0.00 1.10 0.00 0.00 33.01 30.98 1n4r s GLN 80 CO 0.52 -0.09 0.86 0.08 -0.55 0.00 0.00 175.29 176.11 1n4r s VAL 81 N 0.87 4.52 0.42 1.34 1.01 0.82 -4.89 120.40 124.49 1n4r s VAL 81 Ca 0.54 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1n4r s VAL 81 Cb -0.25 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.47 1n4r s VAL 81 CO 0.29 -1.31 0.80 -0.76 0.00 0.00 0.00 175.10 174.12 1n4r s LEU 82 N 3.51 3.80 0.56 3.92 1.43 -1.26 -3.20 118.68 127.44 1n4r s LEU 82 Ca 0.18 1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 54.30 1n4r s LEU 82 Cb -0.20 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 1n4r s LEU 82 CO 0.09 -0.43 1.12 -2.16 0.23 0.00 0.00 176.35 175.20 1n4r s PRO 83 N -3.87 3.29 0.79 1.29 0.04 -1.26 -4.48 135.00 130.80 1n4r s PRO 83 Ca 0.52 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1n4r s PRO 83 Cb -0.10 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1n4r s PRO 83 CO 0.31 -0.89 1.15 0.95 0.04 0.00 0.00 177.00 178.56 1n4r s THR 84 N -1.89 2.05 0.18 1.26 -4.23 -1.26 -3.21 115.64 108.54 1n4r s THR 84 Ca 0.71 -0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.96 1n4r s THR 84 Cb -0.23 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.73 1n4r s THR 84 CO 0.29 0.00 1.59 1.05 -0.54 0.00 0.00 174.62 177.01 1n4r h GLU 85 N -0.98 -0.17 0.00 3.99 9.09 -1.96 0.36 114.58 124.92 1n4r h GLU 85 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1n4r h GLU 85 Cb 1.33 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1n4r h GLU 85 CO 0.64 -0.11 0.00 -0.40 0.05 0.00 0.00 179.01 179.19 1n4r n ASP 86 N -5.43 0.00 -3.74 3.06 3.85 -1.26 -4.87 116.55 108.16 1n4r n ASP 86 Ca 0.04 -1.62 -0.27 0.00 -0.71 0.00 0.00 54.79 52.23 1n4r n ASP 86 Cb 0.35 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.51 -1.87 0.00 0.11 1.74 0.13 -4.80 116.66 111.46 1n4r n ARG 87 Ca 0.00 0.15 0.14 0.00 -0.77 0.00 0.00 57.85 57.37 1n4r n ARG 87 Cb 0.00 -4.73 0.49 0.00 -1.02 0.00 0.00 32.46 27.21 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 -2.14 1.24 -1.02 0.55 3.41 -1.26 -4.05 113.62 110.34 1n4r n SER 88 Ca 0.06 -1.23 -0.02 0.00 -0.26 0.00 0.00 58.87 57.42 1n4r n SER 88 Cb 0.48 0.04 0.15 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.20 2.50 -0.25 4.04 6.94 -1.26 -4.80 115.26 122.24 1n4r n ASN 89 Ca 0.17 -3.78 -0.01 0.00 -0.02 0.00 0.00 54.58 50.94 1n4r n ASN 89 Cb 0.34 -0.47 0.19 0.00 -2.36 0.00 0.00 39.78 37.48 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 1.32 0.94 0.00 -4.53 3.38 -1.95 -1.90 115.31 112.56 1n4r h LEU 90 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1n4r h LEU 90 Cb 1.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1n4r h LEU 90 CO 0.20 0.72 0.00 0.47 0.09 0.00 0.00 178.44 179.92 1n4r n ASP 91 N -4.38 0.00 -0.11 -0.43 8.00 -1.26 -2.42 116.55 115.95 1n4r n ASP 91 Ca 0.08 -0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.34 1n4r n ASP 91 Cb 0.06 -0.08 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 -1.08 2.60 -2.42 -1.24 1.74 -0.72 -4.66 116.66 110.88 1n4r n ARG 92 Ca 0.08 -1.49 -0.31 0.00 -0.77 0.00 0.00 57.85 55.36 1n4r n ARG 92 Cb 0.06 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.73 0.07 3.32 0.00 0.00 -1.19 -4.44 105.19 101.20 1n4r n GLY 94 Ca 0.05 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 1.83 0.31 1.61 0.40 -1.26 -0.13 117.98 116.74 1n4r s PHE 95 Ca 0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1n4r s PHE 95 Cb 0.00 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1n4r s PHE 95 CO 0.00 0.29 0.51 1.03 0.70 0.00 0.00 175.22 177.75 1n4r s ARG 96 N -2.49 3.50 0.24 0.44 0.52 0.65 -0.83 118.95 120.98 1n4r s ARG 96 Ca 0.13 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 55.09 1n4r s ARG 96 Cb -0.07 -2.71 0.16 0.00 0.52 0.00 0.00 34.95 32.85 1n4r s ARG 96 CO 0.06 0.22 1.49 0.78 0.02 0.00 0.00 175.30 177.86 1n4r h GLY 97 N 1.04 0.00 -0.09 -3.53 0.00 -1.89 -3.46 103.07 95.14 1n4r h GLY 97 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1n4r h GLY 97 CO 0.63 0.00 0.04 -1.14 0.00 0.00 0.00 176.54 176.06 1n4r n SER 98 N -3.49 -0.12 -1.84 0.19 3.41 -1.26 -1.55 113.62 108.96 1n4r n SER 98 Ca -0.00 -1.06 -0.03 0.00 -0.26 0.00 0.00 58.87 57.52 1n4r n SER 98 Cb 0.73 0.19 0.29 0.00 -0.26 0.00 0.00 64.21 65.17 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 4.68 0.33 4.04 3.41 -1.26 -4.62 113.62 119.57 1n4r n SER 99 Ca -0.00 -3.00 0.17 0.00 -0.26 0.00 0.00 58.87 55.78 1n4r n SER 99 Cb 0.04 -0.71 0.92 0.00 -0.26 0.00 0.00 64.21 64.20 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 2.66 0.00 0.00 7.33 -0.00 -1.96 -1.32 116.97 123.68 1n4r h TYR 100 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.91 1n4r h TYR 100 Cb 2.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.80 1n4r h TYR 100 CO 1.10 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 179.19 1n4r h LEU 101 N 0.00 0.00 0.00 0.10 3.38 -2.01 -3.47 115.31 113.31 1n4r h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n4r h LEU 101 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 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 0.98 0.80 3.74 0.83 0.00 -0.50 -5.04 105.19 105.99 1n4r n GLY 102 Ca 0.05 -0.66 -0.40 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 -2.00 4.86 0.06 -0.61 1.01 -1.26 -4.99 121.20 118.27 1n4r s ILE 103 Ca 0.00 1.48 -0.36 0.00 0.00 0.00 0.00 60.65 61.77 1n4r s ILE 103 Cb 0.00 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 1n4r s ILE 103 CO 0.00 0.35 1.51 -0.81 0.00 0.00 0.00 174.94 175.99 1n4r n PRO 104 N 3.03 1.59 -1.41 2.79 -0.04 -1.26 -4.80 135.00 134.89 1n4r n PRO 104 Ca -0.03 0.57 -0.52 0.00 -0.04 0.00 0.00 63.50 63.48 1n4r n PRO 104 Cb 0.51 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.45 1.53 -3.51 0.54 7.35 -1.26 -4.92 117.46 120.64 1n4r n PHE 105 Ca 0.19 0.37 -0.29 0.00 -0.76 0.00 0.00 57.45 56.96 1n4r n PHE 105 Cb 0.23 -2.49 -0.14 0.00 0.35 0.00 0.00 39.48 37.43 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 7.01 3.35 -0.63 -2.13 2.47 -1.26 -5.06 114.94 118.68 1n4r s ASN 106 Ca 1.11 -1.59 -0.25 0.00 0.42 0.00 0.00 52.86 52.55 1n4r s ASN 106 Cb -0.98 -0.37 -0.22 0.00 -1.45 0.00 0.00 41.25 38.24 1n4r s ASN 106 CO 0.52 -0.40 1.84 -0.81 -3.72 0.00 0.00 177.10 174.54 1n4r n PRO 107 N 4.84 0.98 -4.28 0.43 -0.04 -1.26 -4.20 135.00 131.46 1n4r n PRO 107 Ca 0.00 -1.68 -0.32 0.00 -0.04 0.00 0.00 63.50 61.45 1n4r n PRO 107 Cb 0.40 -3.00 -0.08 0.00 -0.04 0.00 0.00 33.50 30.79 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 9.89 -0.12 0.00 3.54 7.64 -1.03 -4.77 113.62 128.77 1n4r n SER 108 Ca 0.48 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1n4r n SER 108 Cb 0.42 -1.96 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 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 -4.44 0.00 -0.39 1.43 5.02 -1.26 -5.04 118.16 113.47 1n4r n LYS 109 Ca -0.21 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.81 1n4r n LYS 109 Cb 0.64 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.88 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 -3.37 -3.65 4.39 0.23 -1.26 -5.02 115.26 106.58 1n4r n ASN 110 Ca 0.00 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1n4r n ASN 110 Cb 0.00 -0.96 0.00 0.00 -2.08 0.00 0.00 39.78 36.74 1n4r n ASN 110 CO 0.00 0.00 0.00 0.09 -0.93 0.00 0.00 177.26 176.42 1n4r n PRO 111 N -4.12 2.29 -4.12 -0.53 -0.09 -1.26 -4.99 135.00 122.17 1n4r n PRO 111 Ca 0.09 0.00 -0.34 0.00 -0.09 0.00 0.00 63.50 63.15 1n4r n PRO 111 Cb 0.51 0.00 -0.11 0.00 -0.09 0.00 0.00 33.50 33.82 1n4r n PRO 111 CO 0.00 0.00 0.00 0.20 -0.09 0.00 0.00 175.50 175.61 1n4r s GLY 112 N -0.04 1.84 -0.79 1.68 0.00 -1.20 -4.92 107.32 103.89 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 0.04 1.15 -1.59 0.00 0.00 0.00 173.10 172.70 1n4r s THR 113 N 0.42 4.20 0.15 0.90 2.01 -1.26 -4.63 115.64 117.42 1n4r s THR 113 Ca 0.01 -0.48 -0.32 0.00 0.31 0.00 0.00 61.69 61.20 1n4r s THR 113 Cb -0.13 -4.82 -0.17 0.00 0.01 0.00 0.00 72.50 67.39 1n4r s THR 113 CO 0.01 -1.64 0.79 0.00 -0.69 0.00 0.00 174.62 173.09 1n4r n ALA 114 N 8.06 -2.66 -3.68 7.40 0.00 -1.26 -5.00 120.51 123.38 1n4r n ALA 114 Ca 0.09 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 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 -0.62 -0.73 0.37 0.00 5.04 -1.26 -5.06 115.29 113.03 1n4r s HIS 115 Ca 0.72 1.48 0.18 0.00 -1.54 0.00 0.00 55.06 55.91 1n4r s HIS 115 Cb -1.00 0.34 1.18 0.00 0.04 0.00 0.00 32.58 33.14 1n4r s HIS 115 CO 0.56 -0.41 1.65 -1.35 -2.34 0.00 0.00 174.74 172.85 1n4r h PRO 116 N 7.40 0.24 0.00 2.88 0.11 -2.05 -2.88 132.00 137.70 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 32.22 1n4r h PRO 116 CO 0.23 0.16 -0.02 0.66 -0.21 0.00 0.00 178.00 178.82 1n4r n TYR 117 N -4.98 0.00 -3.21 0.65 4.01 -1.26 -5.02 117.16 107.36 1n4r n TYR 117 Ca 0.33 -0.71 -0.39 0.00 -0.16 0.00 0.00 57.90 56.97 1n4r n TYR 117 Cb 1.10 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.87 6.64 0.11 7.72 2.15 -1.09 -5.03 116.67 125.31 1n4r s ASP 118 Ca 0.15 0.77 -0.26 0.00 0.43 0.00 0.00 52.55 53.65 1n4r s ASP 118 Cb 0.13 -2.31 0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1n4r s ASP 118 CO 0.01 -0.18 0.90 -0.94 -0.17 0.00 0.00 175.17 174.79 1n4r s SER 119 N 1.07 -0.27 0.87 -0.34 1.04 -1.26 -4.88 113.70 109.93 1n4r s SER 119 Ca 0.26 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 1n4r s SER 119 Cb -0.16 0.48 0.12 0.00 0.10 0.00 0.00 66.02 66.56 1n4r s SER 119 CO 0.10 -0.85 1.14 -0.83 0.98 0.00 0.00 173.24 173.79 1n4r s GLY 120 N -2.78 1.58 -0.10 7.32 0.00 -0.42 -4.69 107.32 108.24 1n4r s GLY 120 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1n4r s GLY 120 CO -0.02 -0.00 -0.08 -1.58 0.00 0.00 0.00 173.10 171.42 1n4r s HIS 121 N -3.35 1.40 0.35 1.90 5.04 -0.01 -4.58 115.29 116.05 1n4r s HIS 121 Ca 0.63 -0.64 0.14 0.00 -1.54 0.00 0.00 55.06 53.65 1n4r s HIS 121 Cb -0.14 -1.15 1.01 0.00 0.04 0.00 0.00 32.58 32.34 1n4r s HIS 121 CO 0.52 -0.44 1.73 0.97 -2.34 0.00 0.00 174.74 175.18 1n4r h ILE 122 N 6.14 0.47 0.00 0.89 2.10 -1.14 0.43 117.51 126.41 1n4r h ILE 122 Ca -0.30 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.45 1n4r h ILE 122 Cb 1.14 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1n4r h ILE 122 CO 0.42 0.08 -0.16 0.00 -1.08 0.00 0.00 178.15 177.41 1n4r h ALA 123 N 1.71 0.97 0.11 0.18 0.00 -1.94 -2.11 119.26 118.17 1n4r h ALA 123 Ca 0.65 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 55.11 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 -0.44 0.20 -1.56 0.52 0.00 0.00 0.00 179.25 177.97 1n4r h MET 124 N 0.00 0.24 -0.67 0.00 2.86 -0.51 -2.03 114.93 114.82 1n4r h MET 124 Ca -0.00 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1n4r h MET 124 Cb 0.81 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1n4r h MET 124 CO 0.02 1.09 0.27 1.15 1.06 0.00 0.00 176.91 180.50 1n4r h THR 125 N 0.06 1.24 0.82 2.22 2.02 -0.91 0.47 112.91 118.83 1n4r h THR 125 Ca -0.25 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 1n4r h THR 125 Cb 2.01 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1n4r h THR 125 CO 0.15 0.30 -0.39 0.22 0.37 0.00 0.00 175.52 176.17 1n4r h TYR 126 N 0.95 -1.02 0.00 3.16 3.20 -1.44 -1.81 116.97 120.01 1n4r h TYR 126 Ca 0.22 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1n4r h TYR 126 Cb 0.21 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1n4r h TYR 126 CO 0.01 -0.63 -0.12 1.79 -1.64 0.00 0.00 178.16 177.57 1n4r h THR 127 N -1.28 0.83 0.60 1.81 1.35 -1.33 -0.75 112.91 114.14 1n4r h THR 127 Ca -0.11 -0.46 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1n4r h THR 127 Cb 0.84 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1n4r h THR 127 CO 0.18 0.12 -0.29 1.23 -0.25 0.00 0.00 175.52 176.51 1n4r h GLY 128 N 0.53 -0.85 0.60 5.82 0.00 0.03 0.70 103.07 109.90 1n4r h GLY 128 Ca -0.00 0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.71 1n4r h GLY 128 CO 0.02 -0.31 0.26 1.41 0.00 0.00 0.00 176.54 177.92 1n4r h LEU 129 N -1.11 0.35 -0.59 3.11 3.38 -1.21 -0.67 115.31 118.57 1n4r h LEU 129 Ca -0.08 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1n4r h LEU 129 Cb 0.67 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1n4r h LEU 129 CO 0.14 0.23 0.26 -1.28 0.09 0.00 0.00 178.44 177.87 1n4r h SER 130 N 0.50 0.32 -0.40 -0.43 0.87 -1.11 -1.49 113.55 111.80 1n4r h SER 130 Ca 0.26 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1n4r h SER 130 Cb 0.23 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1n4r h SER 130 CO -0.21 0.20 0.08 0.00 -0.53 0.00 0.00 176.83 176.37 1n4r h LEU 132 N 0.50 -0.07 -0.86 0.00 3.38 -0.65 -0.22 115.31 117.38 1n4r h LEU 132 Ca 0.12 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1n4r h LEU 132 Cb 0.35 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1n4r h LEU 132 CO 0.01 -0.00 0.57 0.40 0.09 0.00 0.00 178.44 179.50 1n4r h ILE 133 N 0.14 1.21 -0.74 1.22 2.04 -1.16 -1.86 117.51 118.35 1n4r h ILE 133 Ca 0.17 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1n4r h ILE 133 Cb 0.21 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1n4r h ILE 133 CO -0.25 0.21 0.33 0.40 0.00 0.00 0.00 178.15 178.84 1n4r h ILE 134 N 1.16 1.24 0.00 -0.67 2.04 -0.73 -2.02 117.51 118.54 1n4r h ILE 134 Ca 0.32 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1n4r h ILE 134 Cb -0.12 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1n4r h ILE 134 CO -0.07 0.30 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1n4r n LEU 135 N -4.31 0.00 0.00 1.44 4.77 -0.16 -4.90 117.00 113.83 1n4r n LEU 135 Ca 0.07 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1n4r n LEU 135 Cb 0.15 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n4r n LEU 135 CO 0.39 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1n4r n GLY 136 N 0.99 0.45 3.59 -0.72 0.00 -0.76 -4.96 105.19 103.78 1n4r n GLY 136 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.42 -0.91 1.61 -0.08 -0.76 -4.94 116.55 111.05 1n4r n ASP 137 Ca 0.00 0.39 0.08 0.00 -1.51 0.00 0.00 54.79 53.75 1n4r n ASP 137 Cb 0.00 -1.39 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 -3.31 3.32 -1.58 1.67 5.68 -1.26 -4.50 116.55 116.56 1n4r n ASP 138 Ca 0.10 -2.00 -0.20 0.00 -0.50 0.00 0.00 54.79 52.20 1n4r n ASP 138 Cb 0.52 -0.33 -0.08 0.00 -1.14 0.00 0.00 41.12 40.10 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 0.95 -1.48 0.12 -2.12 4.32 -1.26 -4.86 117.00 112.66 1n4r n LEU 139 Ca 0.17 0.44 -0.01 0.00 -0.02 0.00 0.00 56.01 56.59 1n4r n LEU 139 Cb 0.50 -2.74 0.25 0.00 -1.62 0.00 0.00 43.42 39.81 1n4r n LEU 139 CO 0.11 -0.96 0.65 0.77 -1.22 0.00 0.00 177.39 176.74 1n4r h SER 140 N 0.00 0.17 -0.06 -1.43 4.64 -2.02 -2.66 113.55 112.19 1n4r h SER 140 Ca -0.41 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1n4r h SER 140 Cb 1.29 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1n4r h SER 140 CO 0.59 0.58 0.00 0.54 -0.87 0.00 0.00 176.83 177.67 1n4r n ARG 141 N -4.02 1.34 -3.09 4.77 1.74 -1.26 -4.79 116.66 111.35 1n4r n ARG 141 Ca -0.02 -0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 56.15 1n4r n ARG 141 Cb 0.48 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.93 4.99 -1.26 1.55 1.01 -1.00 -4.96 120.40 118.79 1n4r s VAL 142 Ca 0.33 1.20 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 1n4r s VAL 142 Cb 0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1n4r s VAL 142 CO 0.27 0.06 1.78 -0.62 0.00 0.00 0.00 175.10 176.58 1n4r s ASP 143 N 1.32 6.41 0.26 3.32 -1.08 -1.26 -4.80 116.67 120.84 1n4r s ASP 143 Ca 0.28 -2.23 -0.02 0.00 -0.52 0.00 0.00 52.55 50.06 1n4r s ASP 143 Cb -0.16 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.29 1n4r s ASP 143 CO 0.09 -1.63 1.67 0.11 0.52 0.00 0.00 175.17 175.94 1n4r h LYS 144 N 8.15 0.26 -0.39 4.34 1.57 -1.93 -0.82 116.57 127.76 1n4r h LYS 144 Ca 0.39 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1n4r h LYS 144 Cb 0.89 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1n4r h LYS 144 CO 1.40 0.17 -0.06 0.93 -0.57 0.00 0.00 179.45 181.33 1n4r h GLU 145 N 0.27 0.64 -0.31 3.15 4.39 -1.99 -1.63 114.58 119.10 1n4r h GLU 145 Ca 0.47 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1n4r h GLU 145 Cb 0.87 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1n4r h GLU 145 CO -0.56 0.71 -0.01 0.00 -1.16 0.00 0.00 179.01 177.98 1n4r h ALA 146 N 1.34 0.42 -0.24 3.43 0.00 -1.56 -0.62 119.26 122.03 1n4r h ALA 146 Ca 0.11 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1n4r h ALA 146 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n4r h ALA 146 CO 0.02 0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.61 1n4r h LEU 148 N 0.31 0.93 -0.59 0.00 3.38 -1.19 0.15 115.31 118.31 1n4r h LEU 148 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1n4r h LEU 148 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1n4r h LEU 148 CO -0.03 0.73 0.17 0.00 0.09 0.00 0.00 178.44 179.41 1n4r h ALA 149 N 1.42 0.77 -0.64 1.53 0.00 -0.59 -1.50 119.26 120.25 1n4r h ALA 149 Ca 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n4r h ALA 149 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1n4r h ALA 149 CO -0.05 0.44 0.19 0.78 0.00 0.00 0.00 179.25 180.61 1n4r h GLY 150 N 0.83 1.07 0.86 0.00 0.00 0.05 -2.76 103.07 103.12 1n4r h GLY 150 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1n4r h GLY 150 CO -0.00 0.60 -0.22 -2.00 0.00 0.00 0.00 176.54 174.92 1n4r h LEU 151 N 0.92 -0.55 -0.98 3.11 6.46 -0.39 -2.53 115.31 121.35 1n4r h LEU 151 Ca 0.20 0.04 0.21 0.00 -0.12 0.00 0.00 57.88 58.22 1n4r h LEU 151 Cb 0.31 0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 40.30 1n4r h LEU 151 CO -0.00 -0.34 0.57 0.03 -0.62 0.00 0.00 178.44 178.07 1n4r h ARG 152 N -0.52 0.62 0.00 1.25 3.08 -1.00 0.19 114.38 117.99 1n4r h ARG 152 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n4r h ARG 152 Cb 0.45 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1n4r h ARG 152 CO 0.01 0.41 -0.02 0.00 -1.07 0.00 0.00 179.97 179.30 1n4r h ALA 153 N 1.68 1.12 0.00 0.04 0.00 -1.16 -2.74 119.26 118.21 1n4r h ALA 153 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1n4r h ALA 153 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1n4r h ALA 153 CO -0.44 0.03 -0.56 -0.07 0.00 0.00 0.00 179.25 178.21 1n4r h LEU 154 N 0.00 0.00 -9.68 0.00 3.38 -0.51 -3.47 115.31 105.03 1n4r h LEU 154 Ca -0.00 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 1n4r h LEU 154 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1n4r h LEU 154 CO 0.00 0.02 0.52 -1.58 0.09 0.00 0.00 178.44 177.49 1n4r s GLN 155 N -3.27 4.54 0.60 1.13 0.74 -1.04 -1.84 119.66 120.53 1n4r s GLN 155 Ca 0.04 1.81 0.03 0.00 0.05 0.00 0.00 55.36 57.29 1n4r s GLN 155 Cb 0.09 -3.25 0.08 0.00 1.10 0.00 0.00 33.01 31.03 1n4r s GLN 155 CO 0.73 0.01 0.84 -0.51 -0.55 0.00 0.00 175.29 175.80 1n4r s LEU 156 N -0.46 3.17 0.25 3.68 1.43 0.63 -4.98 118.68 122.41 1n4r s LEU 156 Ca 0.50 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1n4r s LEU 156 Cb -0.31 -2.24 0.34 0.00 0.03 0.00 0.00 46.19 44.00 1n4r s LEU 156 CO 0.37 -1.41 1.89 -0.08 0.23 0.00 0.00 176.35 177.34 1n4r h GLU 157 N -0.06 1.13 0.00 1.70 4.57 -1.96 -1.53 114.58 118.43 1n4r h GLU 157 Ca -0.37 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1n4r h GLU 157 Cb 1.28 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1n4r h GLU 157 CO 0.44 0.75 0.00 -0.40 -1.18 0.00 0.00 179.01 178.62 1n4r n ASP 158 N -4.50 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 110.81 1n4r n ASP 158 Ca 0.13 -0.89 0.00 0.00 -0.71 0.00 0.00 54.79 53.32 1n4r n ASP 158 Cb 0.13 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 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 2.81 3.51 6.12 0.00 -0.58 -4.05 105.19 113.39 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 -4.28 1.61 3.41 -1.26 -4.02 113.62 109.19 1n4r n SER 160 Ca 0.00 -1.45 -0.17 0.00 -0.26 0.00 0.00 58.87 56.99 1n4r n SER 160 Cb 0.00 -0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 62.93 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 -3.63 1.47 0.44 7.33 0.40 -1.26 -0.27 117.98 122.47 1n4r s PHE 161 Ca 0.68 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1n4r s PHE 161 Cb -0.02 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1n4r s PHE 161 CO 0.48 0.20 0.51 0.00 0.70 0.00 0.00 175.22 177.11 1n4r n ALA 163 N -1.77 1.26 -2.83 0.00 0.00 -1.26 -4.77 120.51 111.14 1n4r n ALA 163 Ca 0.07 -0.78 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1n4r n ALA 163 Cb 0.61 -0.66 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 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 0.63 0.53 0.00 -7.23 -1.26 -0.57 120.40 109.93 1n4r s VAL 164 Ca -0.14 -1.08 0.17 0.00 -1.81 0.00 0.00 61.98 59.12 1n4r s VAL 164 Cb 0.07 -0.67 0.28 0.00 0.56 0.00 0.00 36.38 36.62 1n4r s VAL 164 CO 0.79 -0.33 2.15 1.55 -0.31 0.00 0.00 175.10 178.95 1n4r h PRO 165 N 4.53 0.00 0.00 4.82 0.13 -1.86 -1.24 132.00 138.39 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 0.93 -0.23 0.00 0.00 178.00 179.11 1n4r h GLU 166 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.48 114.58 113.07 1n4r h GLU 166 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1n4r h GLU 166 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1n4r h GLU 166 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1n4r n GLY 167 N -0.62 2.99 3.22 -3.84 0.00 -0.47 -5.17 105.19 101.31 1n4r n GLY 167 Ca 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.03 -4.78 1.61 3.41 -1.26 -4.70 113.62 106.87 1n4r n SER 168 Ca 0.00 -1.27 -0.31 0.00 -0.26 0.00 0.00 58.87 57.03 1n4r n SER 168 Cb 0.00 1.61 0.08 0.00 -0.26 0.00 0.00 64.21 65.64 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 2.41 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.30 1n4r s GLU 169 Ca 0.24 1.11 0.02 0.00 0.03 0.00 0.00 54.97 56.37 1n4r s GLU 169 Cb -0.01 -1.92 0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1n4r s GLU 169 CO 0.00 -1.52 -0.09 0.54 -1.33 0.00 0.00 175.26 172.86 1n4r s ASN 170 N -3.49 1.32 0.17 0.83 4.22 -1.26 -4.22 114.94 112.51 1n4r s ASN 170 Ca 0.60 -0.21 -0.12 0.00 -2.14 0.00 0.00 52.86 50.99 1n4r s ASN 170 Cb -0.16 -0.51 0.04 0.00 1.28 0.00 0.00 41.25 41.90 1n4r s ASN 170 CO 0.56 0.03 0.61 -0.90 -2.04 0.00 0.00 177.10 175.35 1n4r n ASP 171 N 3.63 -1.26 -0.16 3.54 5.68 -1.22 -4.94 116.55 121.82 1n4r n ASP 171 Ca -0.22 -1.76 0.19 0.00 -0.50 0.00 0.00 54.79 52.51 1n4r n ASP 171 Cb 0.52 2.08 0.57 0.00 -1.14 0.00 0.00 41.12 43.15 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 0.28 -0.57 0.11 1.85 -1.74 -2.18 114.93 112.67 1n4r h MET 172 Ca -0.19 -0.02 0.10 0.00 -0.61 0.00 0.00 59.70 58.98 1n4r h MET 172 Cb 0.78 -0.06 -0.07 0.00 0.43 0.00 0.00 31.60 32.68 1n4r h MET 172 CO 0.25 0.18 0.17 0.00 -0.40 0.00 0.00 176.91 177.11 1n4r h ARG 173 N 0.28 0.31 0.00 0.39 3.08 -1.94 -1.39 114.38 115.12 1n4r h ARG 173 Ca 0.39 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1n4r h ARG 173 Cb 1.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1n4r h ARG 173 CO -0.10 0.21 -0.07 0.74 -1.07 0.00 0.00 179.97 179.68 1n4r h PHE 174 N 0.32 0.00 -0.46 3.04 0.05 -1.68 -2.59 116.94 115.61 1n4r h PHE 174 Ca 0.29 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.95 1n4r h PHE 174 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 1n4r h PHE 174 CO -0.20 0.07 -0.23 0.28 -0.18 0.00 0.00 178.31 178.04 1n4r h VAL 175 N 0.00 1.27 -0.69 -0.55 2.07 -1.21 -1.16 116.25 115.99 1n4r h VAL 175 Ca -0.00 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1n4r h VAL 175 Cb 0.89 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1n4r h VAL 175 CO 0.01 0.48 0.12 0.22 0.02 0.00 0.00 177.57 178.42 1n4r h TYR 176 N 0.82 1.20 -0.41 1.57 3.20 -1.15 -1.31 116.97 120.90 1n4r h TYR 176 Ca 0.10 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1n4r h TYR 176 Cb 0.81 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1n4r h TYR 176 CO 0.06 0.99 0.18 0.00 -1.64 0.00 0.00 178.16 177.75 1n4r h ALA 178 N 1.03 0.56 -0.43 0.00 0.00 -1.00 -1.15 119.26 118.27 1n4r h ALA 178 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n4r h ALA 178 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1n4r h ALA 178 CO -0.01 -0.00 0.26 0.77 0.00 0.00 0.00 179.25 180.27 1n4r h SER 179 N 0.59 0.43 -0.77 0.00 0.02 -0.93 -1.26 113.55 111.63 1n4r h SER 179 Ca 0.17 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1n4r h SER 179 Cb -0.05 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1n4r h SER 179 CO -0.05 0.31 0.29 0.00 -1.14 0.00 0.00 176.83 176.24 1n4r h ILE 181 N 1.12 1.15 -0.93 0.00 2.04 -0.81 -0.35 117.51 119.73 1n4r h ILE 181 Ca 0.25 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1n4r h ILE 181 Cb 0.24 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1n4r h ILE 181 CO -0.02 0.13 0.61 0.00 0.00 0.00 0.00 178.15 178.87 1n4r h TYR 183 N 1.20 0.38 -0.52 0.00 3.20 -0.91 0.01 116.97 120.33 1n4r h TYR 183 Ca 0.36 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.09 1n4r h TYR 183 Cb -0.04 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1n4r h TYR 183 CO -0.01 0.42 -0.09 0.52 -1.64 0.00 0.00 178.16 177.36 1n4r h MET 184 N 0.22 0.98 -0.03 1.82 2.86 -0.70 -1.47 114.93 118.61 1n4r h MET 184 Ca 0.08 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1n4r h MET 184 Cb 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1n4r h MET 184 CO -0.00 1.03 0.00 1.28 1.06 0.00 0.00 176.91 180.28 1n4r n LEU 185 N -4.20 0.29 -4.15 1.22 4.77 -0.30 -4.90 117.00 109.74 1n4r n LEU 185 Ca 0.01 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 1n4r n LEU 185 Cb 0.39 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1n4r n LEU 185 CO 0.45 0.06 -0.29 -3.20 -1.33 0.00 0.00 177.39 173.08 1n4r n ASN 186 N -0.61 -0.37 -3.41 -1.43 5.15 -0.17 -4.94 115.26 109.49 1n4r n ASN 186 Ca 0.15 -1.11 -0.02 0.00 -0.60 0.00 0.00 54.58 52.99 1n4r n ASN 186 Cb 0.11 -2.44 -0.05 0.00 -0.53 0.00 0.00 39.78 36.88 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 -4.17 -0.79 -0.12 1.20 3.84 -0.29 -5.02 114.94 109.59 1n4r s ASN 187 Ca 0.15 0.95 0.09 0.00 0.21 0.00 0.00 52.86 54.26 1n4r s ASN 187 Cb -0.08 1.84 0.48 0.00 -0.55 0.00 0.00 41.25 42.93 1n4r s ASN 187 CO 0.94 -0.25 1.25 0.79 -2.79 0.00 0.00 177.10 177.04 1n4r n TRP 188 N 5.41 1.16 0.85 0.43 7.02 -1.26 -4.00 117.44 127.05 1n4r n TRP 188 Ca -0.06 -0.41 0.10 0.00 -1.02 0.00 0.00 57.50 56.11 1n4r n TRP 188 Cb 0.50 -0.30 0.48 0.00 -2.42 0.00 0.00 31.31 29.56 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 0.42 0.00 0.07 -0.99 3.41 -1.26 -2.64 113.62 112.63 1n4r n SER 189 Ca 0.16 0.21 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 1n4r n SER 189 Cb 0.76 -0.38 0.42 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.50 -1.23 3.25 5.00 0.00 -1.26 -4.83 105.19 106.63 1n4r n GLY 190 Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.15 0.94 -0.96 1.61 0.23 -1.08 -2.56 119.30 114.33 1n4r s MET 191 Ca 0.07 -0.84 -0.16 0.00 -1.03 0.00 0.00 55.69 53.73 1n4r s MET 191 Cb 0.10 0.40 0.17 0.00 -1.53 0.00 0.00 34.83 33.97 1n4r s MET 191 CO 0.37 -0.33 1.09 0.34 -2.03 0.00 0.00 175.02 174.46 1n4r s ASP 192 N -2.81 6.77 0.35 -1.18 3.68 -1.26 -4.89 116.67 117.33 1n4r s ASP 192 Ca 0.04 -2.44 0.12 0.00 2.13 0.00 0.00 52.55 52.40 1n4r s ASP 192 Cb 0.03 -2.34 0.92 0.00 -1.45 0.00 0.00 42.92 40.09 1n4r s ASP 192 CO -0.11 -0.85 1.78 -0.03 0.13 0.00 0.00 175.17 176.09 1n4r h MET 193 N 8.20 0.56 -0.55 4.34 1.85 -1.98 -1.23 114.93 126.12 1n4r h MET 193 Ca 0.17 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1n4r h MET 193 Cb 1.00 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.87 1n4r h MET 193 CO 1.04 0.37 0.33 -0.22 -0.40 0.00 0.00 176.91 178.02 1n4r h LYS 194 N 0.57 0.75 -0.13 0.39 3.64 -2.00 -0.72 116.57 119.07 1n4r h LYS 194 Ca 0.57 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.74 1n4r h LYS 194 Cb 1.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1n4r h LYS 194 CO -0.33 0.54 -0.53 0.87 -2.27 0.00 0.00 179.45 177.74 1n4r h LYS 195 N 0.73 0.36 -0.28 1.90 1.57 -1.62 -2.14 116.57 117.08 1n4r h LYS 195 Ca 0.20 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1n4r h LYS 195 Cb -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1n4r h LYS 195 CO -0.04 0.80 0.02 0.00 -0.57 0.00 0.00 179.45 179.66 1n4r h ALA 196 N 1.16 0.38 -0.67 3.86 0.00 -1.06 -1.73 119.26 121.20 1n4r h ALA 196 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1n4r h ALA 196 Cb 1.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1n4r h ALA 196 CO 0.09 0.11 0.42 0.82 0.00 0.00 0.00 179.25 180.68 1n4r h ILE 197 N 0.29 1.09 -0.60 0.00 2.04 -1.08 -0.87 117.51 118.37 1n4r h ILE 197 Ca 0.08 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1n4r h ILE 197 Cb 0.40 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1n4r h ILE 197 CO 0.01 0.15 0.30 -1.28 0.00 0.00 0.00 178.15 177.33 1n4r h SER 198 N 0.82 0.42 -0.54 1.72 0.87 -1.11 -0.45 113.55 115.28 1n4r h SER 198 Ca 0.27 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1n4r h SER 198 Cb 0.01 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1n4r h SER 198 CO -0.10 0.27 0.34 0.22 -0.53 0.00 0.00 176.83 177.03 1n4r h TYR 199 N 0.56 0.69 -0.67 2.24 3.20 -0.36 -1.19 116.97 121.44 1n4r h TYR 199 Ca 0.28 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1n4r h TYR 199 Cb 0.22 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1n4r h TYR 199 CO -0.11 0.46 0.41 0.82 -1.64 0.00 0.00 178.16 178.10 1n4r h ILE 200 N 0.72 1.19 -0.15 1.81 2.04 -0.46 -2.50 117.51 120.16 1n4r h ILE 200 Ca 0.19 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1n4r h ILE 200 Cb -0.05 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1n4r h ILE 200 CO -0.04 0.20 0.04 0.03 0.00 0.00 0.00 178.15 178.38 1n4r h ARG 201 N 0.92 0.24 0.00 2.37 3.08 -0.76 -2.74 114.38 117.48 1n4r h ARG 201 Ca 0.24 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1n4r h ARG 201 Cb -0.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1n4r h ARG 201 CO -0.05 0.39 0.00 0.54 -1.07 0.00 0.00 179.97 179.78 1n4r n ARG 202 N -4.82 0.03 0.00 0.04 1.74 -0.48 -1.49 116.66 111.67 1n4r n ARG 202 Ca -0.05 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 1n4r n ARG 202 Cb 0.16 -1.60 0.36 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.66 0.90 -4.71 0.55 3.41 -0.96 -3.94 113.62 107.21 1n4r n SER 203 Ca 0.00 -0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 1n4r n SER 203 Cb 0.04 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.60 4.30 0.66 4.33 0.00 -0.56 -1.41 119.30 124.03 1n4r s MET 204 Ca 0.22 2.12 -0.04 0.00 0.00 0.00 0.00 55.69 57.99 1n4r s MET 204 Cb 0.19 -3.27 0.06 0.00 0.00 0.00 0.00 34.83 31.81 1n4r s MET 204 CO 0.55 -0.48 0.95 0.45 0.00 0.00 0.00 175.02 176.49 1n4r s SER 205 N 1.21 4.88 0.55 1.11 0.15 -0.19 -4.88 113.70 116.53 1n4r s SER 205 Ca 0.66 0.25 0.32 0.00 0.70 0.00 0.00 55.95 57.88 1n4r s SER 205 Cb -0.38 -0.94 1.57 0.00 -1.71 0.00 0.00 66.02 64.56 1n4r s SER 205 CO 0.30 -1.50 2.08 0.10 1.20 0.00 0.00 173.24 175.42 1n4r h TYR 206 N -0.41 0.00 -0.19 3.44 -0.00 -1.95 -0.23 116.97 117.63 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 0.27 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.10 1n4r n ASP 207 N -3.33 1.92 0.00 0.10 3.85 -1.26 -4.95 116.55 112.88 1n4r n ASP 207 Ca -0.01 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 1n4r n ASP 207 Cb 0.24 -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 0.49 0.00 -4.58 -1.12 3.02 -0.10 -4.77 115.26 108.19 1n4r n ASN 208 Ca 0.16 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.46 1n4r n ASN 208 Cb 0.37 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.96 1.76 -0.10 7.41 0.00 -1.26 -4.20 107.32 108.97 1n4r s GLY 209 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 1n4r s GLY 209 CO 0.00 -0.90 0.02 1.08 0.00 0.00 0.00 173.10 173.30 1n4r s LEU 210 N -5.32 3.68 0.54 0.66 1.02 -1.26 -1.02 118.68 116.97 1n4r s LEU 210 Ca 0.67 0.17 0.07 0.00 0.02 0.00 0.00 54.13 55.06 1n4r s LEU 210 Cb -0.06 -1.85 0.05 0.00 0.02 0.00 0.00 46.19 44.35 1n4r s LEU 210 CO 0.46 0.37 0.54 0.00 0.02 0.00 0.00 176.35 177.74 1n4r s ALA 211 N -0.81 4.50 0.37 4.21 0.00 -0.50 -1.06 121.76 128.48 1n4r s ALA 211 Ca 0.12 -1.62 0.26 0.00 0.00 0.00 0.00 51.96 50.72 1n4r s ALA 211 Cb -0.12 -1.01 1.32 0.00 0.00 0.00 0.00 23.12 23.31 1n4r s ALA 211 CO 0.02 -0.57 2.02 1.96 0.00 0.00 0.00 175.76 179.19 1n4r h GLN 212 N 0.57 0.00 -2.18 0.00 1.08 -1.88 -3.45 115.11 109.25 1n4r h GLN 212 Ca -0.35 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.03 1n4r h GLN 212 Cb 1.29 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.61 1n4r h GLN 212 CO 0.51 0.15 0.54 0.20 -0.95 0.00 0.00 178.83 179.28 1n4r s GLY 213 N -4.22 -0.32 0.21 3.46 0.00 -1.26 -2.14 107.32 103.05 1n4r s GLY 213 Ca -0.02 0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.89 1n4r s GLY 213 CO 0.60 0.13 1.15 0.00 0.00 0.00 0.00 173.10 174.98 1n4r n ALA 214 N -0.39 -0.42 0.00 3.20 0.00 -1.25 -2.03 120.51 119.61 1n4r n ALA 214 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n4r n ALA 214 Cb 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.83 2.91 3.79 0.00 0.00 -1.26 -5.02 105.19 107.44 1n4r n GLY 215 Ca 0.13 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 2.37 0.10 0.99 2.01 -0.86 -4.99 118.68 118.29 1n4r s LEU 216 Ca 0.00 1.22 -0.31 0.00 0.01 0.00 0.00 54.13 55.05 1n4r s LEU 216 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 46.19 42.40 1n4r s LEU 216 CO 0.00 -2.24 1.48 -0.70 1.01 0.00 0.00 176.35 175.90 1n4r s GLU 217 N -5.16 4.27 0.53 1.70 2.12 -1.26 -4.70 118.70 116.20 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 -0.15 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1n4r s GLU 217 CO 0.54 -0.55 1.30 -1.54 -0.54 0.00 0.00 175.26 174.47 1n4r s SER 218 N 1.50 5.45 0.01 -1.70 1.04 -1.26 -4.41 113.70 114.33 1n4r s SER 218 Ca 0.67 2.63 -0.09 0.00 0.48 0.00 0.00 55.95 59.65 1n4r s SER 218 Cb -0.38 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.12 1n4r s SER 218 CO 0.30 -1.43 0.17 -2.28 0.98 0.00 0.00 173.24 170.98 1n4r s HIS 219 N -1.38 0.02 0.27 5.02 2.46 -0.22 -4.85 115.29 116.62 1n4r s HIS 219 Ca 0.70 -0.12 -0.03 0.00 0.47 0.00 0.00 55.06 56.08 1n4r s HIS 219 Cb -0.37 -0.03 0.39 0.00 -0.13 0.00 0.00 32.58 32.44 1n4r s HIS 219 CO 0.44 -0.33 1.91 0.78 -2.47 0.00 0.00 174.74 175.07 1n4r h GLY 220 N 4.04 1.43 0.75 1.59 0.00 -0.93 -0.68 103.07 109.28 1n4r h GLY 220 Ca -0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1n4r h GLY 220 CO 0.42 0.39 0.01 -1.33 0.00 0.00 0.00 176.54 176.03 1n4r h GLY 221 N 1.20 0.14 2.00 4.60 0.00 -1.91 -1.94 103.07 107.15 1n4r h GLY 221 Ca 0.40 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 1n4r h GLY 221 CO -0.13 0.09 -0.47 1.48 0.00 0.00 0.00 176.54 177.51 1n4r h SER 222 N -0.14 0.00 -0.49 0.19 4.64 -1.78 -0.95 113.55 115.03 1n4r h SER 222 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1n4r h SER 222 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1n4r h SER 222 CO 0.00 0.47 -0.15 0.74 -0.87 0.00 0.00 176.83 177.01 1n4r h THR 223 N 0.00 1.27 -0.04 2.95 2.02 -1.07 0.29 112.91 118.34 1n4r h THR 223 Ca -0.00 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1n4r h THR 223 Cb 0.84 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1n4r h THR 223 CO 0.06 0.45 0.02 0.15 0.37 0.00 0.00 175.52 176.57 1n4r h PHE 224 N 0.82 0.06 -0.76 3.16 3.57 -0.94 -0.65 116.94 122.20 1n4r h PHE 224 Ca 0.12 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1n4r h PHE 224 Cb 0.72 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1n4r h PHE 224 CO 0.05 0.18 0.44 0.00 -2.23 0.00 0.00 178.31 176.75 1n4r h GLY 226 N 0.80 -0.63 1.00 0.00 0.00 -0.73 -1.39 103.07 102.12 1n4r h GLY 226 Ca 0.34 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1n4r h GLY 226 CO -0.19 -0.23 0.22 -2.22 0.00 0.00 0.00 176.54 174.13 1n4r h ILE 227 N -0.88 1.09 -0.88 2.60 1.08 -1.00 -2.13 117.51 117.40 1n4r h ILE 227 Ca -0.06 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1n4r h ILE 227 Cb 0.57 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1n4r h ILE 227 CO 0.10 0.09 0.53 0.00 -0.69 0.00 0.00 178.15 178.18 1n4r h ALA 228 N 1.12 1.28 -0.05 1.87 0.00 -0.82 -0.77 119.26 121.89 1n4r h ALA 228 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n4r h ALA 228 Cb -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1n4r h ALA 228 CO -0.03 0.62 0.03 0.77 0.00 0.00 0.00 179.25 180.64 1n4r h SER 229 N 1.21 0.06 -0.85 0.00 0.02 -0.87 0.39 113.55 113.51 1n4r h SER 229 Ca 0.32 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1n4r h SER 229 Cb -0.06 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1n4r h SER 229 CO -0.06 0.07 0.56 -0.07 -1.14 0.00 0.00 176.83 176.18 1n4r h LEU 230 N 0.05 0.94 -0.49 5.07 3.38 -0.96 -1.25 115.31 122.05 1n4r h LEU 230 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1n4r h LEU 230 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n4r h LEU 230 CO -0.00 0.66 0.19 0.00 0.09 0.00 0.00 178.44 179.38 1n4r h LEU 232 N 0.65 0.32 0.00 0.00 4.07 -0.31 0.17 115.31 120.21 1n4r h LEU 232 Ca 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1n4r h LEU 232 Cb 0.20 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1n4r h LEU 232 CO -0.01 0.23 -0.24 0.23 -1.08 0.00 0.00 178.44 177.56 1n4r n MET 233 N -4.49 0.17 -3.00 1.13 2.81 -0.53 -4.94 117.12 108.27 1n4r n MET 233 Ca 0.02 0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 1n4r n MET 233 Cb 0.09 -1.66 0.05 0.00 -0.71 0.00 0.00 33.22 30.99 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 -0.02 0.50 3.03 0.00 0.61 -4.96 105.19 105.74 1n4r n GLY 234 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.06 0.16 0.26 1.61 5.02 -0.14 -4.91 118.16 117.10 1n4r n LYS 235 Ca -0.10 -1.25 -0.18 0.00 -2.02 0.00 0.00 58.31 54.76 1n4r n LYS 235 Cb 0.58 -0.60 -0.10 0.00 -0.02 0.00 0.00 35.03 34.89 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 0.06 -1.43 -1.02 -0.35 6.46 -1.91 -0.34 115.31 116.78 1n4r h LEU 236 Ca -0.01 0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1n4r h LEU 236 Cb 1.38 0.48 -0.08 0.00 -0.73 0.00 0.00 40.66 41.71 1n4r h LEU 236 CO 0.01 -0.65 0.63 -0.33 -0.62 0.00 0.00 178.44 177.48 1n4r h GLU 237 N -0.96 0.99 -0.20 1.25 4.39 -1.91 -1.18 114.58 116.96 1n4r h GLU 237 Ca -0.05 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1n4r h GLU 237 Cb 0.85 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1n4r h GLU 237 CO -0.11 0.65 -0.47 1.49 -1.16 0.00 0.00 179.01 179.42 1n4r h GLU 238 N 1.01 0.51 0.22 2.33 4.81 -1.83 -3.33 114.58 118.30 1n4r h GLU 238 Ca 0.48 -0.29 -0.35 0.00 -0.13 0.00 0.00 59.36 59.08 1n4r h GLU 238 Cb 0.44 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.87 1n4r h GLU 238 CO -0.25 0.87 -1.62 0.28 -0.73 0.00 0.00 179.01 177.57 1n4r h VAL 239 N 0.41 1.12 -3.63 0.32 2.07 -0.45 -3.46 116.25 112.63 1n4r h VAL 239 Ca 0.02 -2.62 -0.67 0.00 0.82 0.00 0.00 66.70 64.26 1n4r h VAL 239 Cb 0.98 2.91 -0.23 0.00 -1.52 0.00 0.00 31.29 33.42 1n4r h VAL 239 CO 0.09 0.84 -0.74 -0.36 0.02 0.00 0.00 177.57 177.42 1n4r s PHE 240 N -2.59 2.83 0.94 1.57 2.99 -0.50 -5.08 117.98 118.14 1n4r s PHE 240 Ca -0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 56.93 56.40 1n4r s PHE 240 Cb 0.05 -1.76 0.15 0.00 0.00 0.00 0.00 43.02 41.46 1n4r s PHE 240 CO 0.90 0.07 1.10 -1.54 -0.00 0.00 0.00 175.22 175.75 1n4r s SER 241 N -0.27 3.18 0.25 1.36 1.04 -1.26 -4.61 113.70 113.39 1n4r s SER 241 Ca 0.03 1.25 -0.05 0.00 0.48 0.00 0.00 55.95 57.65 1n4r s SER 241 Cb -0.13 -1.91 0.27 0.00 0.10 0.00 0.00 66.02 64.36 1n4r s SER 241 CO 0.03 -2.79 1.87 -0.08 0.98 0.00 0.00 173.24 173.25 1n4r h GLU 242 N -1.66 1.19 -0.44 4.02 4.81 -1.99 0.13 114.58 120.65 1n4r h GLU 242 Ca -0.52 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 1n4r h GLU 242 Cb 1.31 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1n4r h GLU 242 CO 0.58 0.87 0.05 -0.22 -0.73 0.00 0.00 179.01 179.55 1n4r h LYS 243 N 1.19 0.74 -0.16 1.92 3.64 -1.99 -0.96 116.57 120.95 1n4r h LYS 243 Ca 0.30 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n4r h LYS 243 Cb 0.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1n4r h LYS 243 CO -0.05 0.78 0.09 0.93 -2.27 0.00 0.00 179.45 178.93 1n4r h GLU 244 N 0.59 0.22 -0.41 1.90 5.08 -1.75 -1.66 114.58 118.55 1n4r h GLU 244 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1n4r h GLU 244 Cb 0.41 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1n4r h GLU 244 CO 0.01 0.21 0.27 -0.07 -1.00 0.00 0.00 179.01 178.44 1n4r h LEU 245 N 0.17 0.48 -0.58 1.33 3.38 -0.60 -1.02 115.31 118.47 1n4r h LEU 245 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1n4r h LEU 245 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n4r h LEU 245 CO -0.01 0.35 0.13 0.78 0.09 0.00 0.00 178.44 179.78 1n4r h ASN 246 N 0.56 0.89 -0.50 -0.43 -0.26 -0.59 -0.31 115.58 114.94 1n4r h ASN 246 Ca 0.15 -0.24 -0.05 0.00 -0.56 0.00 0.00 56.30 55.60 1n4r h ASN 246 Cb -0.06 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1n4r h ASN 246 CO -0.03 0.90 0.11 0.03 -1.06 0.00 0.00 177.43 177.38 1n4r h ARG 247 N 0.84 0.80 -0.27 0.81 3.08 -0.44 -1.69 114.38 117.50 1n4r h ARG 247 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n4r h ARG 247 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1n4r h ARG 247 CO 0.00 0.78 0.12 0.82 -1.07 0.00 0.00 179.97 180.62 1n4r h ILE 248 N 0.69 1.16 -0.71 2.04 2.04 -1.00 -1.43 117.51 120.30 1n4r h ILE 248 Ca 0.16 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1n4r h ILE 248 Cb 0.34 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1n4r h ILE 248 CO 0.00 0.17 0.37 0.11 0.00 0.00 0.00 178.15 178.80 1n4r h LYS 249 N 0.30 0.62 -0.40 2.37 1.57 -0.92 0.08 116.57 120.19 1n4r h LYS 249 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1n4r h LYS 249 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1n4r h LYS 249 CO -0.01 0.41 0.25 -0.09 -0.57 0.00 0.00 179.45 179.44 1n4r h ARG 250 N 0.64 0.53 -0.66 3.15 9.65 -0.93 0.01 114.38 126.76 1n4r h ARG 250 Ca 0.35 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.18 1n4r h ARG 250 Cb 0.33 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1n4r h ARG 250 CO -0.25 0.36 0.39 2.35 2.80 0.00 0.00 179.97 185.62 1n4r h TRP 251 N 0.53 0.87 0.15 2.20 7.01 -0.18 -2.28 115.95 124.24 1n4r h TRP 251 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1n4r h TRP 251 Cb -0.04 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 1n4r h TRP 251 CO -0.04 0.60 -0.07 0.00 -2.79 0.00 0.00 178.44 176.13 1n4r h ILE 253 N -0.47 0.00 0.00 0.00 2.10 -0.96 -0.10 117.51 118.08 1n4r h ILE 253 Ca -0.02 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1n4r h ILE 253 Cb 0.37 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1n4r h ILE 253 CO 0.03 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.33 1n4r n MET 254 N -2.54 0.21 0.18 2.19 2.81 -0.87 -3.25 117.12 115.86 1n4r n MET 254 Ca 0.00 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.06 1n4r n MET 254 Cb 0.17 -1.50 0.45 0.00 -0.71 0.00 0.00 33.22 31.63 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 -6.25 0.03 2.47 -1.07 -3.44 114.38 106.12 1n4r h ARG 255 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1n4r h ARG 255 Cb 0.35 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.63 1n4r h ARG 255 CO 0.00 0.00 0.52 -1.14 0.56 0.00 0.00 179.97 179.91 1n4r s GLN 256 N -3.33 4.43 -0.10 0.04 0.74 -1.20 -2.55 119.66 117.68 1n4r s GLN 256 Ca 0.06 1.35 0.03 0.00 0.05 0.00 0.00 55.36 56.85 1n4r s GLN 256 Cb 0.09 -3.53 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 1n4r s GLN 256 CO 0.55 -0.28 -0.06 1.04 -0.55 0.00 0.00 175.29 175.99 1n4r n GLN 257 N 4.88 0.96 0.07 1.67 1.13 -1.26 -4.96 117.38 119.87 1n4r n GLN 257 Ca 0.08 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1n4r n GLN 257 Cb 0.49 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.62 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 -2.67 -1.28 -0.46 1.08 0.23 -1.26 -5.07 115.26 105.83 1n4r n ASN 258 Ca -0.18 0.44 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1n4r n ASN 258 Cb 0.72 1.43 0.00 0.00 -2.08 0.00 0.00 39.78 39.86 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 -1.33 1.64 3.20 4.83 0.00 -1.26 -2.23 105.19 110.04 1n4r n GLY 259 Ca 0.00 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 2.15 1.50 0.34 1.61 1.51 -1.26 -4.45 117.35 118.75 1n4r s TYR 260 Ca 0.00 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1n4r s TYR 260 Cb 0.00 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1n4r s TYR 260 CO 0.00 0.08 0.22 -3.38 -1.11 0.00 0.00 175.55 171.36 1n4r s HIS 261 N -0.92 2.79 -0.80 2.71 -3.43 -1.06 -0.79 115.29 113.79 1n4r s HIS 261 Ca 0.04 -0.35 0.24 0.00 -0.80 0.00 0.00 55.06 54.18 1n4r s HIS 261 Cb -0.09 -1.73 0.23 0.00 -1.43 0.00 0.00 32.58 29.56 1n4r s HIS 261 CO 0.02 0.25 1.20 0.41 -2.00 0.00 0.00 174.74 174.62 1n4r n GLY 262 N -1.26 -1.23 3.35 -1.38 0.00 -1.26 -4.85 105.19 98.56 1n4r n GLY 262 Ca -0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 0.81 0.43 1.61 0.52 -1.26 -0.28 118.95 117.69 1n4r s ARG 263 Ca 0.07 0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 55.07 1n4r s ARG 263 Cb 0.16 0.37 -0.10 0.00 0.52 0.00 0.00 34.95 35.89 1n4r s ARG 263 CO 0.76 -0.23 0.95 -2.30 0.02 0.00 0.00 175.30 174.50 1n4r n PRO 264 N 1.22 1.23 -2.33 3.54 -0.02 -1.26 -2.34 135.00 135.03 1n4r n PRO 264 Ca -0.20 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.53 1n4r n PRO 264 Cb 0.56 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.52 -5.61 -4.27 2.55 5.03 -1.26 -5.01 115.26 107.21 1n4r n ASN 265 Ca 0.10 0.01 -0.25 0.00 0.87 0.00 0.00 54.58 55.30 1n4r n ASN 265 Cb 0.40 -4.66 -0.13 0.00 -1.02 0.00 0.00 39.78 34.37 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 -4.91 1.30 0.63 3.52 -0.14 -0.99 -5.13 119.74 114.02 1n4r s LYS 266 Ca 0.00 -1.04 -0.18 0.00 -1.36 0.00 0.00 55.97 53.39 1n4r s LYS 266 Cb 0.00 -1.49 -0.02 0.00 -1.68 0.00 0.00 37.83 34.64 1n4r s LYS 266 CO 0.00 0.37 1.25 -1.25 -0.76 0.00 0.00 175.35 174.95 1n4r s PRO 267 N -1.49 2.71 0.78 -1.68 0.04 -1.26 -4.75 135.00 129.35 1n4r s PRO 267 Ca 0.07 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1n4r s PRO 267 Cb -0.09 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1n4r s PRO 267 CO 0.03 -1.44 1.11 0.14 0.04 0.00 0.00 177.00 176.88 1n4r s VAL 268 N -1.54 3.08 -0.13 -0.36 -7.23 -1.26 -4.60 120.40 108.35 1n4r s VAL 268 Ca 0.79 0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 61.28 1n4r s VAL 268 Cb -0.33 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 33.87 1n4r s VAL 268 CO 0.37 -0.43 0.29 -0.62 -0.31 0.00 0.00 175.10 174.40 1n4r s ASP 269 N -3.13 -0.10 0.29 4.85 -1.08 0.03 -4.84 116.67 112.69 1n4r s ASP 269 Ca 0.63 0.63 -0.03 0.00 -0.52 0.00 0.00 52.55 53.26 1n4r s ASP 269 Cb -0.19 0.62 0.58 0.00 -1.46 0.00 0.00 42.92 42.48 1n4r s ASP 269 CO 0.54 -0.20 1.52 0.41 0.52 0.00 0.00 175.17 177.96 1n4r n THR 270 N 4.68 -0.41 0.32 1.71 -1.04 -0.94 -0.73 114.28 117.88 1n4r n THR 270 Ca -0.18 2.18 0.20 0.00 -2.04 0.00 0.00 64.05 64.22 1n4r n THR 270 Cb 0.52 -3.09 1.12 0.00 -1.82 0.00 0.00 70.33 67.06 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 -1.17 -1.75 116.97 114.11 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 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 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 -1.15 0.11 113.55 116.41 1n4r h SER 273 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1n4r h SER 273 Cb 0.54 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1n4r h SER 273 CO 0.00 0.02 -1.76 0.33 -1.14 0.00 0.00 176.83 174.27 1n4r n PHE 274 N -3.65 0.27 -0.13 3.45 7.35 -0.71 -2.98 117.46 121.07 1n4r n PHE 274 Ca -0.03 0.12 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 1n4r n PHE 274 Cb 0.10 -0.88 -0.03 0.00 0.35 0.00 0.00 39.48 39.02 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 -1.11 0.13 -5.13 -0.00 -1.28 0.59 115.95 108.15 1n4r h TRP 275 Ca -0.41 0.07 -0.18 0.00 -0.00 0.00 0.00 58.89 58.36 1n4r h TRP 275 Cb 1.31 0.54 0.02 0.00 -0.00 0.00 0.00 29.16 31.04 1n4r h TRP 275 CO -0.15 -0.42 -0.78 0.28 -0.00 0.00 0.00 178.44 177.37 1n4r h VAL 276 N -0.29 1.51 -0.36 1.49 2.07 -1.02 -3.15 116.25 116.50 1n4r h VAL 276 Ca 0.16 -2.49 0.06 0.00 0.82 0.00 0.00 66.70 65.25 1n4r h VAL 276 Cb 0.57 3.14 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1n4r h VAL 276 CO -0.57 0.71 0.06 1.23 0.02 0.00 0.00 177.57 179.01 1n4r h GLY 277 N -0.35 0.41 1.79 2.17 0.00 -1.41 0.39 103.07 106.07 1n4r h GLY 277 Ca -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1n4r h GLY 277 CO 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 176.54 176.70 1n4r h ALA 278 N 1.28 1.71 -0.22 3.60 0.00 0.05 0.38 119.26 126.07 1n4r h ALA 278 Ca 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1n4r h ALA 278 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n4r h ALA 278 CO -0.24 0.23 -0.25 1.15 0.00 0.00 0.00 179.25 180.13 1n4r h THR 279 N 0.28 1.32 -0.97 0.00 2.02 -1.18 -0.93 112.91 113.46 1n4r h THR 279 Ca 0.07 -1.44 0.01 0.00 0.77 0.00 0.00 66.41 65.82 1n4r h THR 279 Cb 0.12 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 1n4r h THR 279 CO -0.00 0.44 0.64 -0.07 0.37 0.00 0.00 175.52 176.90 1n4r h LEU 280 N 0.25 1.11 -0.37 2.58 3.38 -0.21 -0.67 115.31 121.38 1n4r h LEU 280 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n4r h LEU 280 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1n4r h LEU 280 CO 0.06 0.80 0.19 0.50 0.09 0.00 0.00 178.44 180.09 1n4r h LYS 281 N 1.31 0.52 0.00 1.13 1.63 -0.74 -0.99 116.57 119.43 1n4r h LYS 281 Ca 0.35 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1n4r h LYS 281 Cb -0.15 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1n4r h LYS 281 CO -0.08 0.44 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.18 1n4r h LEU 282 N 0.46 0.00 -1.22 5.20 3.38 -0.51 -0.17 115.31 122.45 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n4r h LEU 282 CO -0.02 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.81 1n4r n LEU 283 N -4.17 1.82 -2.12 1.67 4.77 -0.32 -4.94 117.00 113.71 1n4r n LEU 283 Ca -0.02 -0.81 -0.19 0.00 -0.03 0.00 0.00 56.01 54.96 1n4r n LEU 283 Cb 0.20 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1n4r n LEU 283 CO 0.34 0.40 -0.24 0.29 -1.33 0.00 0.00 177.39 176.85 1n4r n LYS 284 N 0.44 -1.50 -0.17 3.23 5.02 -0.08 -4.88 118.16 120.23 1n4r n LYS 284 Ca 0.15 0.92 0.02 0.00 -2.02 0.00 0.00 58.31 57.38 1n4r n LYS 284 Cb 0.34 -5.46 0.03 0.00 -0.02 0.00 0.00 35.03 29.91 1n4r n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4r n ILE 285 N -3.97 0.56 0.18 -0.18 -5.35 -0.59 -4.73 119.36 105.29 1n4r n ILE 285 Ca -0.22 -0.64 0.05 0.00 -0.27 0.00 0.00 62.75 61.66 1n4r n ILE 285 Cb 0.67 0.51 0.48 0.00 -1.74 0.00 0.00 39.64 39.55 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 0.10 -0.06 4.28 3.57 -1.82 -1.54 116.94 121.47 1n4r h PHE 286 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1n4r h PHE 286 Cb 1.03 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1n4r h PHE 286 CO 0.03 0.23 0.12 -0.56 -2.23 0.00 0.00 178.31 175.90 1n4r h GLN 287 N 0.10 0.00 -0.26 1.11 3.07 -1.90 -1.09 115.11 116.14 1n4r h GLN 287 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1n4r h GLN 287 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1n4r h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1n4r n TYR 288 N -3.42 0.34 -2.22 0.06 0.53 -0.58 -4.92 117.16 106.95 1n4r n TYR 288 Ca -0.01 -0.17 -0.26 0.00 -1.02 0.00 0.00 57.90 56.44 1n4r n TYR 288 Cb 0.21 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.60 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 -1.66 2.23 -0.42 -0.72 -4.23 -0.42 -5.02 115.64 105.40 1n4r s THR 289 Ca 0.34 -0.29 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 1n4r s THR 289 Cb 0.19 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1n4r s THR 289 CO 0.27 0.00 0.65 0.21 -0.54 0.00 0.00 174.62 175.21 1n4r s ASN 290 N -4.59 6.35 -0.01 3.99 3.84 -1.26 -4.95 114.94 118.31 1n4r s ASN 290 Ca 0.62 -0.23 -0.24 0.00 0.21 0.00 0.00 52.86 53.22 1n4r s ASN 290 Cb -0.09 -2.32 -0.19 0.00 -0.55 0.00 0.00 41.25 38.10 1n4r s ASN 290 CO 0.45 -0.74 1.26 -0.26 -2.79 0.00 0.00 177.10 175.02 1n4r h PHE 291 N 8.80 0.15 -0.24 0.43 0.05 -1.95 -3.25 116.94 120.93 1n4r h PHE 291 Ca -0.26 -0.05 0.05 0.00 3.82 0.00 0.00 57.97 61.54 1n4r h PHE 291 Cb 1.10 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.96 1n4r h PHE 291 CO 0.74 0.61 -0.11 1.49 -0.18 0.00 0.00 178.31 180.86 1n4r h GLU 292 N -0.35 -0.07 -0.25 1.51 4.81 -1.97 0.11 114.58 118.37 1n4r h GLU 292 Ca 0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1n4r h GLU 292 Cb 0.59 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1n4r h GLU 292 CO 0.01 -0.04 -0.13 0.87 -0.73 0.00 0.00 179.01 178.99 1n4r h LYS 293 N -0.07 0.42 0.12 1.92 1.57 -1.85 0.58 116.57 119.26 1n4r h LYS 293 Ca 0.13 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1n4r h LYS 293 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1n4r h LYS 293 CO -0.29 0.55 -0.06 -0.97 -0.57 0.00 0.00 179.45 178.11 1n4r h ASN 294 N 0.39 -0.14 -0.61 0.86 -1.24 -0.98 -1.84 115.58 112.01 1n4r h ASN 294 Ca 0.07 -0.36 0.06 0.00 0.71 0.00 0.00 56.30 56.79 1n4r h ASN 294 Cb 0.46 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.49 1n4r h ASN 294 CO 0.03 0.32 0.31 -0.09 -1.29 0.00 0.00 177.43 176.71 1n4r h ARG 295 N -0.63 0.56 -0.56 6.67 2.43 -0.65 -1.10 114.38 121.11 1n4r h ARG 295 Ca -0.02 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1n4r h ARG 295 Cb 0.49 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1n4r h ARG 295 CO 0.03 0.37 0.35 -0.91 -1.51 0.00 0.00 179.97 178.30 1n4r h ASN 296 N 0.58 0.59 0.26 -3.80 4.21 -0.87 -1.76 115.58 114.79 1n4r h ASN 296 Ca 0.28 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.77 1n4r h ASN 296 Cb 0.21 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1n4r h ASN 296 CO -0.20 0.42 -0.12 0.22 -1.29 0.00 0.00 177.43 176.46 1n4r h TYR 297 N 0.71 -0.32 -0.41 1.19 3.20 -0.56 -1.13 116.97 119.66 1n4r h TYR 297 Ca 0.22 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.16 1n4r h TYR 297 Cb -0.02 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 1n4r h TYR 297 CO -0.05 -0.13 -0.24 0.82 -1.64 0.00 0.00 178.16 176.92 1n4r h ILE 298 N -0.43 0.35 -0.00 1.81 2.04 -1.09 -0.19 117.51 120.00 1n4r h ILE 298 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1n4r h ILE 298 Cb 0.33 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1n4r h ILE 298 CO 0.06 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.97 1n4r h LEU 299 N -0.17 0.00 -0.77 1.44 3.38 -1.21 -1.55 115.31 116.44 1n4r h LEU 299 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n4r h LEU 299 Cb 0.47 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1n4r h LEU 299 CO -0.51 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 176.66 1n4r n SER 300 N -4.34 0.53 -1.16 -0.43 3.41 -0.10 -1.46 113.62 110.07 1n4r n SER 300 Ca -0.02 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1n4r n SER 300 Cb 0.23 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.12 0.82 -2.41 6.66 -2.24 -0.58 -4.28 114.28 110.12 1n4r n THR 301 Ca 0.01 -0.91 -0.41 0.00 -2.27 0.00 0.00 64.05 60.47 1n4r n THR 301 Cb 0.16 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.14 4.50 -0.55 -0.78 0.74 -0.54 -1.09 119.66 120.80 1n4r s GLN 302 Ca 0.41 1.82 -0.20 0.00 0.05 0.00 0.00 55.36 57.44 1n4r s GLN 302 Cb 0.22 -3.27 0.07 0.00 1.10 0.00 0.00 33.01 31.14 1n4r s GLN 302 CO 0.30 -0.08 0.70 0.34 -0.55 0.00 0.00 175.29 176.00 1n4r s ASP 303 N 0.26 6.21 0.15 6.67 -1.08 -0.56 -4.90 116.67 123.43 1n4r s ASP 303 Ca 0.53 -1.04 0.17 0.00 -0.52 0.00 0.00 52.55 51.68 1n4r s ASP 303 Cb -0.31 -2.32 0.74 0.00 -1.46 0.00 0.00 42.92 39.58 1n4r s ASP 303 CO 0.35 -1.04 1.51 0.54 0.52 0.00 0.00 175.17 177.05 1n4r n ARG 304 N 6.45 0.09 -0.09 4.34 1.74 -1.26 -0.10 116.66 127.84 1n4r n ARG 304 Ca -0.07 0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1n4r n ARG 304 Cb 0.45 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 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 -1.90 1.89 0.00 0.55 -0.00 -1.26 -4.68 117.00 111.60 1n4r n LEU 305 Ca 0.01 0.44 0.10 0.00 -0.00 0.00 0.00 56.01 56.57 1n4r n LEU 305 Cb 0.14 -0.82 -0.07 0.00 -0.00 0.00 0.00 43.42 42.66 1n4r n LEU 305 CO 0.13 -0.14 -0.09 1.33 -0.00 0.00 0.00 177.39 178.62 1n4r n VAL 306 N -4.48 0.02 0.00 1.96 0.24 -1.24 -5.10 118.33 109.74 1n4r n VAL 306 Ca -0.20 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1n4r n VAL 306 Cb 0.51 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 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 1.46 -0.47 0.22 7.63 0.00 0.86 -4.43 105.19 110.46 1n4r n GLY 307 Ca 0.03 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.51 -1.42 3.32 -0.02 0.00 -1.26 -4.35 105.19 100.94 1n4r n GLY 308 Ca 0.00 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.27 1.68 0.48 1.61 0.40 -1.26 -1.49 117.98 118.12 1n4r s PHE 309 Ca 0.00 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1n4r s PHE 309 Cb 0.00 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1n4r s PHE 309 CO 0.00 0.30 0.15 0.00 0.70 0.00 0.00 175.22 176.37 1n4r s ALA 310 N -2.50 3.91 0.14 5.36 0.00 -0.25 -2.77 121.76 125.66 1n4r s ALA 310 Ca 0.17 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1n4r s ALA 310 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1n4r s ALA 310 CO 0.06 -0.17 1.41 1.57 0.00 0.00 0.00 175.76 178.62 1n4r h LYS 311 N 1.29 0.70 -5.30 0.00 2.10 -1.88 -3.41 116.57 110.07 1n4r h LYS 311 Ca -0.42 -0.49 -0.40 0.00 -2.00 0.00 0.00 60.65 57.33 1n4r h LYS 311 Cb 1.28 0.08 -0.14 0.00 -0.90 0.00 0.00 32.23 32.55 1n4r h LYS 311 CO 0.70 1.11 -0.70 -1.58 -2.00 0.00 0.00 179.45 176.98 1n4r s TRP 312 N -3.90 1.57 0.51 0.07 0.51 -1.26 -2.22 118.94 114.22 1n4r s TRP 312 Ca -0.09 -0.72 -0.22 0.00 -2.12 0.00 0.00 56.10 52.95 1n4r s TRP 312 Cb 0.10 -0.82 -0.06 0.00 -0.81 0.00 0.00 33.47 31.89 1n4r s TRP 312 CO 0.87 0.18 1.28 -1.25 -0.51 0.00 0.00 176.95 177.52 1n4r s PRO 313 N -3.73 3.38 -1.30 4.98 0.04 -1.26 -2.94 135.00 134.16 1n4r s PRO 313 Ca 0.23 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1n4r s PRO 313 Cb 0.02 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1n4r s PRO 313 CO 0.06 -0.94 1.13 -0.25 0.04 0.00 0.00 177.00 177.03 1n4r n ASP 314 N -0.83 -5.51 -4.29 6.66 10.43 -1.26 -5.01 116.55 116.74 1n4r n ASP 314 Ca 0.09 -0.54 -0.17 0.00 2.57 0.00 0.00 54.79 56.74 1n4r n ASP 314 Cb 0.46 -4.94 -0.10 0.00 1.84 0.00 0.00 41.12 38.38 1n4r n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1n4r s SER 315 N -3.50 2.24 0.10 -2.24 0.15 -1.15 -5.11 113.70 104.19 1n4r s SER 315 Ca 0.47 -0.95 -0.31 0.00 0.70 0.00 0.00 55.95 55.86 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 0.71 -0.19 1.27 -1.00 1.20 0.00 0.00 173.24 175.23 1n4r s HIS 316 N -2.78 3.36 0.54 3.44 3.76 -1.26 -4.66 115.29 117.69 1n4r s HIS 316 Ca 0.17 1.20 -0.17 0.00 -0.15 0.00 0.00 55.06 56.11 1n4r s HIS 316 Cb -0.01 -3.52 -0.06 0.00 1.11 0.00 0.00 32.58 30.10 1n4r s HIS 316 CO 0.04 -1.67 1.02 -1.25 -0.85 0.00 0.00 174.74 172.04 1n4r s PRO 317 N 0.86 3.67 0.15 8.40 0.04 -1.26 -4.62 135.00 142.25 1n4r s PRO 317 Ca 0.60 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1n4r s PRO 317 Cb -0.33 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1n4r s PRO 317 CO 0.31 -0.51 0.26 0.16 0.04 0.00 0.00 177.00 177.25 1n4r s ASP 318 N -2.76 0.07 0.21 6.66 1.47 -1.11 -4.96 116.67 116.23 1n4r s ASP 318 Ca 0.62 -0.87 -0.10 0.00 1.18 0.00 0.00 52.55 53.39 1n4r s ASP 318 Cb -0.13 0.41 0.27 0.00 -0.34 0.00 0.00 42.92 43.13 1n4r s ASP 318 CO 0.31 -0.86 1.74 0.00 0.68 0.00 0.00 175.17 177.04 1n4r h ALA 319 N 2.59 0.77 -0.02 2.11 0.00 -1.97 -1.32 119.26 121.42 1n4r h ALA 319 Ca -0.32 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1n4r h ALA 319 Cb 1.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1n4r h ALA 319 CO 0.50 -0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.72 1n4r h LEU 320 N 0.40 -0.24 -0.84 0.00 6.46 -1.96 -0.43 115.31 118.70 1n4r h LEU 320 Ca 0.30 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.98 1n4r h LEU 320 Cb 0.38 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1n4r h LEU 320 CO -0.31 -0.12 -0.55 0.45 -0.62 0.00 0.00 178.44 177.29 1n4r h HIS 321 N -0.14 0.10 -0.17 1.25 3.86 -1.74 -1.39 115.15 116.91 1n4r h HIS 321 Ca 0.04 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1n4r h HIS 321 Cb 0.19 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1n4r h HIS 321 CO -0.16 0.61 0.05 0.00 0.86 0.00 0.00 177.93 179.30 1n4r h ALA 322 N 1.38 0.22 -0.00 2.45 0.00 -0.95 0.28 119.26 122.63 1n4r h ALA 322 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n4r h ALA 322 Cb 1.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n4r h ALA 322 CO 0.08 -0.16 0.00 -0.92 0.00 0.00 0.00 179.25 178.24 1n4r h TYR 323 N 0.10 0.01 0.00 0.00 3.20 -0.96 -2.36 116.97 116.96 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 0.22 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1n4r h TYR 323 CO -0.00 0.28 -0.45 0.74 -1.64 0.00 0.00 178.16 177.09 1n4r h PHE 324 N -0.27 0.00 -0.48 -3.82 -1.00 -1.25 -0.32 116.94 109.79 1n4r h PHE 324 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1n4r h PHE 324 Cb 0.28 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1n4r h PHE 324 CO 0.02 0.45 -0.04 0.78 -1.61 0.00 0.00 178.31 177.92 1n4r h GLY 325 N 1.69 0.95 1.06 -1.45 0.00 -0.41 0.19 103.07 105.10 1n4r h GLY 325 Ca -0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.50 1n4r h GLY 325 CO 0.06 0.67 -0.05 -2.22 0.00 0.00 0.00 176.54 174.99 1n4r h ILE 326 N 0.73 1.27 -0.09 2.60 2.04 -1.14 -0.81 117.51 122.11 1n4r h ILE 326 Ca 0.13 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1n4r h ILE 326 Cb 0.56 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1n4r h ILE 326 CO 0.03 0.42 -0.32 0.00 0.00 0.00 0.00 178.15 178.28 1n4r h GLY 328 N 1.06 0.71 1.14 0.00 0.00 -0.09 -2.17 103.07 103.71 1n4r h GLY 328 Ca 0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1n4r h GLY 328 CO 0.05 0.44 0.34 1.41 0.00 0.00 0.00 176.54 178.78 1n4r h LEU 329 N 0.51 1.01 -1.17 3.11 4.07 -0.70 -2.83 115.31 119.31 1n4r h LEU 329 Ca 0.12 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1n4r h LEU 329 Cb 0.37 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1n4r h LEU 329 CO 0.01 0.87 0.47 -1.28 -1.08 0.00 0.00 178.44 177.43 1n4r h SER 330 N 1.09 0.91 -0.23 -0.43 0.87 -0.58 -2.31 113.55 112.87 1n4r h SER 330 Ca 0.26 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 1n4r h SER 330 Cb 0.15 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1n4r h SER 330 CO -0.03 0.69 0.19 -0.07 -0.53 0.00 0.00 176.83 177.09 1n4r h LEU 331 N 1.06 0.00 -2.59 2.23 4.07 -1.14 0.23 115.31 119.17 1n4r h LEU 331 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1n4r h LEU 331 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1n4r h LEU 331 CO -0.05 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.54 1n4r n MET 332 N -4.18 2.71 -2.99 1.13 2.81 -0.89 -4.98 117.12 110.74 1n4r n MET 332 Ca 0.03 -2.52 -0.02 0.00 -1.81 0.00 0.00 57.70 53.38 1n4r n MET 332 Cb 0.34 -1.57 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.48 -1.34 -2.69 0.03 1.02 0.81 -4.98 120.64 114.97 1n4r n GLU 333 Ca 0.23 1.37 -0.35 0.00 -0.02 0.00 0.00 57.16 58.40 1n4r n GLU 333 Cb 0.61 -5.52 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 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 -3.14 4.22 -0.18 3.49 2.56 -1.12 -4.98 118.70 119.55 1n4r s GLU 334 Ca 0.05 1.31 -0.29 0.00 0.00 0.00 0.00 54.97 56.03 1n4r s GLU 334 Cb -0.01 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.71 1n4r s GLU 334 CO 0.70 -0.05 1.34 0.45 -0.56 0.00 0.00 175.26 177.14 1n4r s SER 335 N -1.86 6.81 0.00 -1.70 0.15 -1.26 -3.05 113.70 112.79 1n4r s SER 335 Ca 0.59 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.89 1n4r s SER 335 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1n4r s SER 335 CO 0.20 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1n4r n GLY 336 N 3.89 0.66 3.13 9.45 0.00 -1.26 -5.07 105.19 116.00 1n4r n GLY 336 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 1.76 0.96 -0.61 1.01 -1.17 -4.73 121.20 116.42 1n4r s ILE 337 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1n4r s ILE 337 Cb 0.00 -1.56 0.17 0.00 0.01 0.00 0.00 42.46 41.08 1n4r s ILE 337 CO 0.00 0.49 1.12 0.00 0.00 0.00 0.00 174.94 176.55 1n4r s LYS 339 N -4.64 4.49 0.06 0.00 2.20 -1.26 -4.81 119.74 115.78 1n4r s LYS 339 Ca 0.67 1.47 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 1n4r s LYS 339 Cb -0.23 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1n4r s LYS 339 CO 0.59 0.16 0.19 0.54 -0.36 0.00 0.00 175.35 176.47 1n4r s VAL 340 N -1.52 5.23 -0.62 4.02 0.11 -1.26 -0.94 120.40 125.41 1n4r s VAL 340 Ca 0.51 -0.46 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 1n4r s VAL 340 Cb -0.22 -3.55 0.08 0.00 -1.53 0.00 0.00 36.38 31.16 1n4r s VAL 340 CO 0.28 0.14 0.85 -2.28 -3.33 0.00 0.00 175.10 170.76 1n4r s HIS 341 N -1.49 2.81 0.27 1.54 2.46 0.11 -4.71 115.29 116.29 1n4r s HIS 341 Ca 0.34 -0.69 0.01 0.00 0.47 0.00 0.00 55.06 55.19 1n4r s HIS 341 Cb -0.13 -4.15 0.61 0.00 -0.13 0.00 0.00 32.58 28.78 1n4r s HIS 341 CO 0.27 -1.49 1.73 -1.00 -2.47 0.00 0.00 174.74 171.78 1n4r h PRO 342 N 9.40 0.48 0.07 2.88 0.13 -1.92 0.51 132.00 143.54 1n4r h PRO 342 Ca -0.29 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.56 1n4r h PRO 342 Cb 1.08 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1n4r h PRO 342 CO 1.14 0.32 -1.09 0.00 -0.23 0.00 0.00 178.00 178.14 1n4r h ALA 343 N 1.63 0.24 0.00 -0.56 0.00 -1.92 -3.31 119.26 115.34 1n4r h ALA 343 Ca 0.50 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1n4r h ALA 343 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1n4r h ALA 343 CO -0.45 0.92 -0.60 -0.11 0.00 0.00 0.00 179.25 179.01 1n4r n LEU 344 N -3.62 0.57 -3.61 0.00 7.94 -1.09 -4.89 117.00 112.30 1n4r n LEU 344 Ca -0.07 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.60 1n4r n LEU 344 Cb 0.93 -0.21 0.07 0.00 0.53 0.00 0.00 43.42 44.74 1n4r n LEU 344 CO 0.52 0.10 0.16 -3.20 -1.11 0.00 0.00 177.39 173.86 1n4r n ASN 345 N -1.63 -4.55 -4.08 1.96 5.15 0.15 -5.02 115.26 107.23 1n4r n ASN 345 Ca 0.05 -0.62 -0.09 0.00 -0.60 0.00 0.00 54.58 53.32 1n4r n ASN 345 Cb 0.36 -4.82 -0.09 0.00 -0.53 0.00 0.00 39.78 34.70 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 -3.36 0.13 0.68 3.44 -7.23 -1.24 -4.97 120.40 107.86 1n4r s VAL 346 Ca 0.39 -1.75 -0.16 0.00 -1.81 0.00 0.00 61.98 58.65 1n4r s VAL 346 Cb -0.18 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.96 1n4r s VAL 346 CO 0.75 -0.61 1.19 -0.94 -0.31 0.00 0.00 175.10 175.18 1n4r s SER 347 N -2.99 4.62 0.48 4.85 1.04 -1.26 0.09 113.70 120.53 1n4r s SER 347 Ca 0.17 2.32 0.26 0.00 0.48 0.00 0.00 55.95 59.17 1n4r s SER 347 Cb 0.07 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.78 1n4r s SER 347 CO -0.03 -1.97 1.94 0.71 0.98 0.00 0.00 173.24 174.87 1n4r h THR 348 N 0.10 0.56 -0.36 2.02 1.35 -1.32 -0.77 112.91 114.50 1n4r h THR 348 Ca -0.48 -0.85 0.05 0.00 -0.55 0.00 0.00 66.41 64.58 1n4r h THR 348 Cb 1.29 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 69.23 1n4r h THR 348 CO 0.52 0.17 0.08 -0.09 -0.25 0.00 0.00 175.52 175.96 1n4r h ARG 349 N 0.00 0.20 -0.32 4.72 2.43 -1.90 -0.19 114.38 119.33 1n4r h ARG 349 Ca -0.00 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1n4r h ARG 349 Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1n4r h ARG 349 CO 0.02 0.13 -0.30 1.15 -1.51 0.00 0.00 179.97 179.46 1n4r h THR 350 N 0.21 1.28 -0.04 0.20 2.02 -1.66 -1.77 112.91 113.15 1n4r h THR 350 Ca 0.17 -1.43 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 1n4r h THR 350 Cb 0.18 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1n4r h THR 350 CO -0.21 0.46 -0.29 0.77 0.37 0.00 0.00 175.52 176.62 1n4r h SER 351 N 0.57 0.08 0.24 4.18 4.64 -0.45 -1.49 113.55 121.33 1n4r h SER 351 Ca 0.07 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.10 1n4r h SER 351 Cb 0.80 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1n4r h SER 351 CO 0.07 0.38 -1.12 -0.33 -0.87 0.00 0.00 176.83 174.95 1n4r h GLU 352 N 0.07 0.52 -0.93 4.77 5.08 -0.88 -1.76 114.58 121.45 1n4r h GLU 352 Ca 0.01 -0.65 0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1n4r h GLU 352 Cb 0.56 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1n4r h GLU 352 CO 0.04 1.27 0.60 -0.09 -1.00 0.00 0.00 179.01 179.83 1n4r h ARG 353 N 0.25 1.04 -0.16 2.33 1.12 -0.89 -0.35 114.38 117.72 1n4r h ARG 353 Ca -0.14 -0.06 -0.17 0.00 -1.11 0.00 0.00 59.98 58.50 1n4r h ARG 353 Cb 1.79 -0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 31.51 1n4r h ARG 353 CO 0.21 0.69 -0.60 1.25 -3.11 0.00 0.00 179.97 178.40 1n4r h LEU 354 N 1.07 0.62 -0.79 3.80 5.85 -1.16 -1.97 115.31 122.73 1n4r h LEU 354 Ca 0.40 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1n4r h LEU 354 Cb 0.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1n4r h LEU 354 CO -0.15 1.08 0.46 -0.09 -0.34 0.00 0.00 178.44 179.39 1n4r h ARG 355 N 0.41 1.09 0.56 1.25 9.65 -0.30 -0.64 114.38 126.40 1n4r h ARG 355 Ca -0.00 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1n4r h ARG 355 Cb 1.16 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1n4r h ARG 355 CO 0.11 0.79 -0.27 -0.44 2.80 0.00 0.00 179.97 182.96 1n4r h ASP 356 N 1.09 -0.64 -0.83 -3.80 3.32 -0.95 -1.80 116.42 112.81 1n4r h ASP 356 Ca 0.28 -0.03 0.21 0.00 0.02 0.00 0.00 57.03 57.51 1n4r h ASP 356 Cb -0.00 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 1n4r h ASP 356 CO -0.05 -0.36 0.07 -0.07 -1.72 0.00 0.00 179.24 177.11 1n4r h LEU 357 N -0.90 -0.28 -0.10 1.55 3.38 -1.08 0.12 115.31 118.01 1n4r h LEU 357 Ca -0.08 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1n4r h LEU 357 Cb 0.63 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1n4r h LEU 357 CO 0.13 -0.20 -0.02 0.45 0.09 0.00 0.00 178.44 178.89 1n4r h HIS 358 N 0.12 -0.04 -0.83 1.13 3.86 -0.89 -1.99 115.15 116.51 1n4r h HIS 358 Ca 0.48 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.77 1n4r h HIS 358 Cb 0.91 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.35 1n4r h HIS 358 CO -0.40 -0.03 0.51 0.37 0.86 0.00 0.00 177.93 179.24 1n4r h GLN 359 N 0.01 0.89 -0.69 2.45 -0.00 0.06 -2.03 115.11 115.81 1n4r h GLN 359 Ca 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1n4r h GLN 359 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.31 1n4r h GLN 359 CO -0.09 0.59 0.21 0.66 0.00 0.00 0.00 178.83 180.20 1n4r h SER 360 N 0.92 1.01 0.05 -0.69 4.64 -0.85 -1.58 113.55 117.05 1n4r h SER 360 Ca 0.37 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1n4r h SER 360 Cb 0.19 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1n4r h SER 360 CO -0.18 0.95 -0.02 -0.50 -0.87 0.00 0.00 176.83 176.21 1n4r h TRP 361 N 1.01 0.00 -0.76 4.77 6.55 -0.65 -3.33 115.95 123.55 1n4r h TRP 361 Ca 0.22 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 59.48 1n4r h TRP 361 Cb 0.30 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.54 1n4r h TRP 361 CO 0.02 0.02 1.89 0.15 -1.05 0.00 0.00 178.44 179.47 1n4r s LYS 362 N -4.59 3.58 0.00 0.49 3.01 -0.60 -5.12 119.74 116.51 1n4r s LYS 362 Ca -0.05 -1.76 0.00 0.00 -1.01 0.00 0.00 55.97 53.15 1n4r s LYS 362 Cb 0.15 -5.46 0.00 0.00 -1.01 0.00 0.00 37.83 31.51 1n4r s LYS 362 CO 0.56 -2.73 0.00 0.25 0.51 0.00 0.00 175.35 173.94