#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ARG 2 N 0.00 3.96 0.55 0.00 0.52 -1.26 -5.00 118.95 117.72 1n8r s ARG 2 Ca 0.00 2.28 -0.08 0.00 -0.52 0.00 0.00 55.73 57.41 1n8r s ARG 2 Cb 0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1n8r s ARG 2 CO 0.00 -0.54 0.91 -1.54 0.02 0.00 0.00 175.30 174.15 1n8r s SER 3 N -0.58 6.20 0.21 0.23 1.04 -1.26 -4.94 113.70 114.60 1n8r s SER 3 Ca 0.56 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.05 1n8r s SER 3 Cb -0.41 -2.32 0.20 0.00 0.10 0.00 0.00 66.02 63.59 1n8r s SER 3 CO 0.53 -0.75 1.84 0.00 0.98 0.00 0.00 173.24 175.84 1n8r h ALA 4 N -0.06 0.91 -0.37 5.32 0.00 -2.03 -2.67 119.26 120.36 1n8r h ALA 4 Ca -0.45 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1n8r h ALA 4 Cb 1.20 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1n8r h ALA 4 CO 0.62 0.19 -0.35 1.88 0.00 0.00 0.00 179.25 181.60 1n8r h TYR 5 N 0.84 -0.97 -0.68 0.00 0.99 -2.01 -1.22 116.97 113.92 1n8r h TYR 5 Ca 0.28 0.06 0.20 0.00 2.00 0.00 0.00 58.73 61.27 1n8r h TYR 5 Cb 0.04 0.48 -0.03 0.00 1.00 0.00 0.00 36.73 38.22 1n8r h TYR 5 CO -0.05 -0.40 0.98 0.66 -0.00 0.00 0.00 178.16 179.36 1n8r h SER 6 N -0.28 0.00 0.12 3.88 4.64 -1.85 0.55 113.55 120.61 1n8r h SER 6 Ca 0.16 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.22 1n8r h SER 6 Cb 0.55 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1n8r h SER 6 CO -0.53 0.00 -1.08 1.88 -0.87 0.00 0.00 176.83 176.23 1n8r h TYR 7 N 0.00 0.86 -0.95 4.77 -1.99 -1.32 -0.40 116.97 117.94 1n8r h TYR 7 Ca 0.32 -0.55 0.04 0.00 2.00 0.00 0.00 58.73 60.54 1n8r h TYR 7 Cb 2.28 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 40.89 1n8r h TYR 7 CO 0.00 1.40 0.62 0.82 -0.00 0.00 0.00 178.16 181.01 1n8r h ILE 8 N 0.08 1.15 0.08 -2.88 2.04 0.03 0.22 117.51 118.23 1n8r h ILE 8 Ca -0.17 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1n8r h ILE 8 Cb 1.79 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1n8r h ILE 8 CO 0.21 0.22 -0.04 -0.09 0.00 0.00 0.00 178.15 178.44 1n8r h ARG 9 N 1.18 -0.11 -0.39 2.37 2.43 -1.48 -2.28 114.38 116.10 1n8r h ARG 9 Ca 0.38 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.63 1n8r h ARG 9 Cb 0.04 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1n8r h ARG 9 CO -0.12 0.24 -0.01 1.49 -1.51 0.00 0.00 179.97 180.06 1n8r h GLU 10 N -0.47 0.09 -0.37 0.20 4.57 -0.45 -2.19 114.58 115.97 1n8r h GLU 10 Ca -0.01 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1n8r h GLU 10 Cb 0.40 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1n8r h GLU 10 CO 0.02 0.06 0.07 0.00 -1.18 0.00 0.00 179.01 177.98 1n8r h ALA 11 N 1.35 0.39 0.00 2.92 0.00 -0.93 -1.97 119.26 121.01 1n8r h ALA 11 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1n8r h ALA 11 Cb 0.27 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1n8r h ALA 11 CO -0.33 -0.34 0.00 0.91 0.00 0.00 0.00 179.25 179.50 1n8r n TRP 12 N -5.10 0.00 0.18 0.00 7.02 -0.85 -2.77 117.44 115.92 1n8r n TRP 12 Ca 0.02 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.55 1n8r n TRP 12 Cb 0.17 -0.21 0.33 0.00 -2.42 0.00 0.00 31.31 29.18 1n8r n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1n8r h LYS 13 N 0.00 0.00 -2.05 -0.99 1.57 -1.07 -3.33 116.57 110.70 1n8r h LYS 13 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1n8r h LYS 13 Cb 0.09 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.00 1n8r h LYS 13 CO 0.00 0.39 -1.04 0.54 -0.57 0.00 0.00 179.45 178.78 1n8r n ARG 14 N -3.58 0.90 0.00 3.15 1.74 -1.11 -4.99 116.66 112.77 1n8r n ARG 14 Ca -0.00 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.68 1n8r n ARG 14 Cb 0.51 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1n8r n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n8r n PRO 15 N 1.43 0.00 -0.16 5.56 -0.04 -1.25 -1.16 135.00 139.37 1n8r n PRO 15 Ca 0.23 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 1n8r n PRO 15 Cb 0.51 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.57 1n8r n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n8r n LYS 16 N -1.06 2.48 -4.40 0.54 5.02 -1.26 -3.75 118.16 115.74 1n8r n LYS 16 Ca 0.00 -1.95 -0.26 0.00 -2.02 0.00 0.00 58.31 54.08 1n8r n LYS 16 Cb 0.04 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1n8r n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n8r s GLU 17 N -1.00 2.08 0.12 1.97 0.41 -0.31 -4.81 118.70 117.16 1n8r s GLU 17 Ca 0.23 -1.98 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 1n8r s GLU 17 Cb 0.13 -1.80 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 1n8r s GLU 17 CO 0.17 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1n8r n GLY 18 N -1.09 0.73 0.22 -1.39 0.00 -1.26 -2.51 105.19 99.89 1n8r n GLY 18 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1n8r n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n8r h GLN 19 N 0.00 0.31 0.00 1.61 4.20 -1.98 -2.06 115.11 117.19 1n8r h GLN 19 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1n8r h GLN 19 Cb 0.00 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1n8r h GLN 19 CO 0.00 0.20 -0.01 0.97 -0.67 0.00 0.00 178.83 179.32 1n8r h ILE 20 N 0.32 0.24 -0.17 2.54 2.10 -1.90 0.56 117.51 121.20 1n8r h ILE 20 Ca 0.28 -0.09 -0.04 0.00 1.08 0.00 0.00 64.86 66.09 1n8r h ILE 20 Cb 0.36 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1n8r h ILE 20 CO -0.32 0.01 -0.06 0.00 -1.08 0.00 0.00 178.15 176.71 1n8r h ALA 21 N 1.99 0.23 -0.51 0.18 0.00 -1.06 -1.64 119.26 118.44 1n8r h ALA 21 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1n8r h ALA 21 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1n8r h ALA 21 CO 0.00 0.01 -0.17 1.49 0.00 0.00 0.00 179.25 180.58 1n8r h GLU 22 N 0.03 1.02 -0.35 0.00 4.81 -0.96 -2.52 114.58 116.61 1n8r h GLU 22 Ca 0.04 -0.41 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1n8r h GLU 22 Cb 0.51 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 1n8r h GLU 22 CO 0.02 1.09 0.06 -0.07 -0.73 0.00 0.00 179.01 179.39 1n8r h LEU 23 N 0.89 -0.00 -0.23 1.64 3.38 -1.08 -0.98 115.31 118.93 1n8r h LEU 23 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n8r h LEU 23 Cb 0.75 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1n8r h LEU 23 CO 0.06 0.04 0.15 0.24 0.09 0.00 0.00 178.44 179.01 1n8r h MET 24 N 0.18 0.29 -0.65 1.13 2.86 -1.23 0.62 114.93 118.14 1n8r h MET 24 Ca 0.17 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 1n8r h MET 24 Cb 0.19 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1n8r h MET 24 CO -0.22 0.19 0.43 2.35 1.06 0.00 0.00 176.91 180.72 1n8r h TRP 25 N 0.30 0.48 0.15 -0.22 7.01 -1.04 0.36 115.95 122.99 1n8r h TRP 25 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1n8r h TRP 25 Cb -0.03 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1n8r h TRP 25 CO -0.06 0.22 -0.07 0.45 -2.79 0.00 0.00 178.44 176.18 1n8r h HIS 26 N 0.45 -0.19 -0.21 2.65 3.86 -0.18 -3.37 115.15 118.16 1n8r h HIS 26 Ca 0.30 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1n8r h HIS 26 Cb 0.59 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.05 1n8r h HIS 26 CO -0.00 -0.12 -0.49 0.00 0.86 0.00 0.00 177.93 178.18 1n8r h ARG 27 N -0.64 -0.47 -1.39 2.45 3.08 0.53 -1.81 114.38 116.13 1n8r h ARG 27 Ca -0.02 0.03 0.43 0.00 0.07 0.00 0.00 59.98 60.49 1n8r h ARG 27 Cb 0.16 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.21 1n8r h ARG 27 CO 0.03 -0.32 0.93 0.52 -1.07 0.00 0.00 179.97 180.07 1n8r h MET 28 N -0.49 0.09 -0.93 0.04 2.86 -1.14 1.63 114.93 116.98 1n8r h MET 28 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1n8r h MET 28 Cb 0.64 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1n8r h MET 28 CO -0.47 0.06 0.56 1.96 1.06 0.00 0.00 176.91 180.09 1n8r h GLN 29 N 0.10 1.27 0.19 1.72 4.20 -1.48 0.27 115.11 121.38 1n8r h GLN 29 Ca 0.79 -0.11 -0.31 0.00 0.06 0.00 0.00 58.65 59.08 1n8r h GLN 29 Cb 2.62 -0.27 0.02 0.00 0.30 0.00 0.00 27.48 30.16 1n8r h GLN 29 CO -0.29 0.89 -1.36 0.93 -0.67 0.00 0.00 178.83 178.33 1n8r h GLU 30 N 1.29 0.41 -0.29 1.46 5.08 0.21 -3.30 114.58 119.44 1n8r h GLU 30 Ca 0.34 -0.69 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1n8r h GLU 30 Cb -0.06 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1n8r h GLU 30 CO -0.06 1.33 0.08 -1.49 -1.00 0.00 0.00 179.01 177.87 1n8r h TRP 31 N 0.11 0.15 -0.22 4.33 6.55 -0.19 -1.34 115.95 125.34 1n8r h TRP 31 Ca -0.19 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.73 1n8r h TRP 31 Cb 2.07 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 30.34 1n8r h TRP 31 CO 0.10 0.06 0.32 0.00 -1.05 0.00 0.00 178.44 177.86 1n8r h ARG 32 N 0.21 0.00 -0.08 0.49 3.08 -0.55 0.59 114.38 118.12 1n8r h ARG 32 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1n8r h ARG 32 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1n8r h ARG 32 CO -0.15 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.84 1n8r n ASN 33 N -3.51 2.63 -4.85 7.04 3.02 -0.55 -4.93 115.26 114.11 1n8r n ASN 33 Ca 0.03 -1.86 -0.23 0.00 -0.03 0.00 0.00 54.58 52.48 1n8r n ASN 33 Cb 0.44 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.64 1n8r n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1n8r s GLU 34 N -1.92 2.16 0.00 3.52 2.02 0.21 -5.11 118.70 119.58 1n8r s GLU 34 Ca 0.32 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1n8r s GLU 34 Cb 0.20 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1n8r s GLU 34 CO 0.31 -1.08 0.00 -0.35 0.02 0.00 0.00 175.26 174.16 1n8r n PRO 35 N -2.63 0.26 0.01 0.39 -0.04 -1.26 -5.01 135.00 126.72 1n8r n PRO 35 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1n8r n PRO 35 Cb 0.60 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.95 1n8r n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n8r h ALA 36 N -2.00 0.09 -3.47 0.55 0.00 -1.93 -3.42 119.26 109.09 1n8r h ALA 36 Ca 0.00 -0.59 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1n8r h ALA 36 Cb 0.00 0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.44 1n8r h ALA 36 CO 0.00 0.42 -0.78 0.08 0.00 0.00 0.00 179.25 178.97 1n8r s VAL 37 N -3.24 1.11 -0.19 0.00 1.01 -1.26 -1.09 120.40 116.73 1n8r s VAL 37 Ca -0.13 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1n8r s VAL 37 Cb 0.04 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1n8r s VAL 37 CO 0.84 -0.12 -0.13 -0.69 0.00 0.00 0.00 175.10 175.01 1n8r s VAL 38 N 1.59 1.74 0.33 2.92 1.01 -0.84 -4.99 120.40 122.16 1n8r s VAL 38 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 1n8r s VAL 38 Cb -0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1n8r s VAL 38 CO -0.07 0.27 1.29 -0.60 0.00 0.00 0.00 175.10 175.98 1n8r s ARG 39 N 1.37 4.35 -0.04 2.72 3.52 -1.26 -2.14 118.95 127.47 1n8r s ARG 39 Ca 0.00 2.17 0.03 0.00 -0.13 0.00 0.00 55.73 57.81 1n8r s ARG 39 Cb -0.15 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1n8r s ARG 39 CO -0.09 -0.17 -0.13 0.96 -0.81 0.00 0.00 175.30 175.05 1n8r s ILE 40 N -1.16 1.15 0.27 4.11 -4.36 -1.05 -4.94 121.20 115.23 1n8r s ILE 40 Ca 0.49 -0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 60.32 1n8r s ILE 40 Cb -0.39 -1.01 0.27 0.00 1.25 0.00 0.00 42.46 42.58 1n8r s ILE 40 CO 0.51 0.34 1.84 -0.33 0.24 0.00 0.00 174.94 177.55 1n8r h GLU 41 N 6.42 0.98 -5.15 0.37 5.08 -1.95 -3.40 114.58 116.93 1n8r h GLU 41 Ca -0.33 -0.06 -0.40 0.00 -1.00 0.00 0.00 59.36 57.58 1n8r h GLU 41 Cb 1.17 -0.22 -0.23 0.00 0.50 0.00 0.00 28.75 29.97 1n8r h GLU 41 CO 0.48 0.65 -0.78 1.03 -1.00 0.00 0.00 179.01 179.39 1n8r s ARG 42 N -5.99 0.79 0.19 2.33 1.81 -1.26 -4.94 118.95 111.88 1n8r s ARG 42 Ca -0.12 -0.81 -0.31 0.00 -1.72 0.00 0.00 55.73 52.77 1n8r s ARG 42 Cb 0.21 -0.76 -0.09 0.00 -0.45 0.00 0.00 34.95 33.86 1n8r s ARG 42 CO 0.81 0.18 1.43 -2.14 -0.68 0.00 0.00 175.30 174.90 1n8r s PRO 43 N -1.40 4.29 0.28 3.54 0.02 -1.26 -4.93 135.00 135.54 1n8r s PRO 43 Ca -0.02 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1n8r s PRO 43 Cb -0.09 -3.17 0.41 0.00 0.02 0.00 0.00 34.50 31.67 1n8r s PRO 43 CO 0.01 -0.44 1.73 1.15 -0.33 0.00 0.00 177.00 179.13 1n8r h THR 44 N 3.85 1.26 -3.26 0.99 2.02 -2.00 -3.31 112.91 112.45 1n8r h THR 44 Ca -0.44 -1.21 -0.69 0.00 0.77 0.00 0.00 66.41 64.84 1n8r h THR 44 Cb 1.21 1.28 -0.37 0.00 -1.74 0.00 0.00 68.15 68.53 1n8r h THR 44 CO 0.83 0.39 -0.19 -0.13 0.37 0.00 0.00 175.52 176.79 1n8r s ARG 45 N -4.58 3.12 0.25 6.66 0.52 -1.26 -4.95 118.95 118.71 1n8r s ARG 45 Ca -0.07 -3.31 -0.03 0.00 -0.52 0.00 0.00 55.73 51.79 1n8r s ARG 45 Cb 0.14 -3.85 0.49 0.00 0.52 0.00 0.00 34.95 32.25 1n8r s ARG 45 CO 0.79 -1.27 1.72 1.25 0.02 0.00 0.00 175.30 177.82 1n8r h LEU 46 N 5.85 0.28 0.31 2.53 6.46 -1.97 -1.84 115.31 126.92 1n8r h LEU 46 Ca 0.16 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1n8r h LEU 46 Cb 0.80 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1n8r h LEU 46 CO 0.83 0.09 -0.27 -2.24 -0.62 0.00 0.00 178.44 176.23 1n8r h ASP 47 N 0.44 -0.72 -0.34 1.25 2.03 -1.93 -2.36 116.42 114.79 1n8r h ASP 47 Ca 0.43 0.06 0.05 0.00 -0.73 0.00 0.00 57.03 56.84 1n8r h ASP 47 Cb 0.67 0.24 -0.08 0.00 -0.83 0.00 0.00 39.33 39.33 1n8r h ASP 47 CO -0.42 -0.40 -0.50 0.03 -1.03 0.00 0.00 179.24 176.91 1n8r h ARG 48 N -0.60 -0.40 0.03 4.15 2.47 -1.76 0.17 114.38 118.45 1n8r h ARG 48 Ca -0.02 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1n8r h ARG 48 Cb 0.54 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 1n8r h ARG 48 CO -0.04 -0.27 -0.42 0.00 0.56 0.00 0.00 179.97 179.81 1n8r h ALA 49 N 0.08 -0.87 -0.83 0.04 0.00 -1.28 0.25 119.26 116.65 1n8r h ALA 49 Ca 0.09 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1n8r h ALA 49 Cb 0.61 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 1n8r h ALA 49 CO -0.55 -0.99 0.38 0.00 0.00 0.00 0.00 179.25 178.09 1n8r h ARG 50 N -0.55 0.50 0.00 0.00 3.08 -1.22 0.82 114.38 117.02 1n8r h ARG 50 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1n8r h ARG 50 Cb 0.58 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1n8r h ARG 50 CO -0.26 0.33 -0.12 1.03 -1.07 0.00 0.00 179.97 179.88 1n8r h SER 51 N 0.52 0.00 1.46 7.04 0.87 0.50 -2.41 113.55 121.53 1n8r h SER 51 Ca 0.47 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 1n8r h SER 51 Cb 0.73 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1n8r h SER 51 CO -0.41 0.12 -0.55 -0.07 -0.53 0.00 0.00 176.83 175.39 1n8r h LEU 52 N 0.00 0.00 0.00 2.23 3.38 0.39 -3.47 115.31 117.84 1n8r h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n8r h LEU 52 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n8r h LEU 52 CO 0.02 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1n8r n GLY 53 N 1.16 0.65 3.61 0.83 0.00 -0.06 -4.84 105.19 106.54 1n8r n GLY 53 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1n8r n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n8r n TYR 54 N 0.00 1.09 -3.78 1.61 9.36 -0.20 -4.90 117.16 120.33 1n8r n TYR 54 Ca 0.00 0.55 -0.13 0.00 3.32 0.00 0.00 57.90 61.64 1n8r n TYR 54 Cb 0.00 -2.21 -0.11 0.00 -0.63 0.00 0.00 39.34 36.38 1n8r n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1n8r s LYS 55 N -2.07 0.32 -0.94 2.98 1.02 -1.26 -4.27 119.74 115.51 1n8r s LYS 55 Ca 0.64 0.38 -0.24 0.00 0.02 0.00 0.00 55.97 56.77 1n8r s LYS 55 Cb -0.54 0.15 0.03 0.00 -0.52 0.00 0.00 37.83 36.95 1n8r s LYS 55 CO 0.56 -0.04 1.53 0.00 -0.92 0.00 0.00 175.35 176.48 1n8r s ALA 56 N 0.14 2.51 0.16 5.17 0.00 -1.26 -4.82 121.76 123.67 1n8r s ALA 56 Ca -0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 1n8r s ALA 56 Cb -0.02 -4.48 0.04 0.00 0.00 0.00 0.00 23.12 18.66 1n8r s ALA 56 CO 0.00 -3.79 0.49 0.21 0.00 0.00 0.00 175.76 172.68 1n8r s LYS 57 N 5.53 1.24 0.23 0.00 2.20 -1.26 -5.12 119.74 122.55 1n8r s LYS 57 Ca 0.49 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1n8r s LYS 57 Cb -0.03 0.52 -0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1n8r s LYS 57 CO -0.03 -0.52 1.37 -0.65 -0.36 0.00 0.00 175.35 175.16 1n8r s GLN 58 N -3.82 4.33 0.00 4.03 -0.21 -1.26 -2.71 119.66 120.02 1n8r s GLN 58 Ca 0.05 2.18 0.00 0.00 0.02 0.00 0.00 55.36 57.61 1n8r s GLN 58 Cb 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.86 1n8r s GLN 58 CO -0.09 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1n8r n GLY 59 N 2.23 0.59 3.39 3.09 0.00 -1.26 -4.55 105.19 108.68 1n8r n GLY 59 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1n8r n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8r s ILE 60 N -2.34 3.66 0.14 -0.61 1.01 -1.10 0.56 121.20 122.52 1n8r s ILE 60 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.34 1n8r s ILE 60 Cb 0.00 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1n8r s ILE 60 CO 0.00 0.43 -0.24 -0.63 0.00 0.00 0.00 174.94 174.51 1n8r s ILE 61 N 1.13 2.09 0.05 2.92 1.09 0.01 -4.85 121.20 123.65 1n8r s ILE 61 Ca 0.02 -1.80 0.04 0.00 -1.10 0.00 0.00 60.65 57.81 1n8r s ILE 61 Cb -0.15 -1.90 -0.02 0.00 -1.06 0.00 0.00 42.46 39.33 1n8r s ILE 61 CO 0.00 -0.05 -0.12 -0.69 -0.10 0.00 0.00 174.94 173.99 1n8r s VAL 62 N -1.37 0.90 -0.14 2.92 1.01 -1.26 0.14 120.40 122.60 1n8r s VAL 62 Ca 0.14 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1n8r s VAL 62 Cb -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.47 1n8r s VAL 62 CO 0.07 -0.16 0.50 -0.69 0.00 0.00 0.00 175.10 174.81 1n8r s VAL 63 N -1.07 0.01 -0.10 2.92 1.01 -0.61 -2.53 120.40 120.03 1n8r s VAL 63 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1n8r s VAL 63 Cb -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1n8r s VAL 63 CO 0.01 -0.04 0.19 -0.60 0.00 0.00 0.00 175.10 174.66 1n8r s ARG 64 N -0.18 3.52 -0.06 2.72 3.52 -0.91 0.11 118.95 127.67 1n8r s ARG 64 Ca -0.04 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1n8r s ARG 64 Cb -0.03 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1n8r s ARG 64 CO 0.02 0.76 -0.17 0.08 -0.81 0.00 0.00 175.30 175.18 1n8r s VAL 65 N -1.05 1.48 -0.18 7.11 1.01 0.11 -1.98 120.40 126.90 1n8r s VAL 65 Ca 0.17 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1n8r s VAL 65 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1n8r s VAL 65 CO 0.06 0.43 0.06 0.00 0.00 0.00 0.00 175.10 175.64 1n8r s ALA 66 N 0.21 3.39 0.04 5.51 0.00 -0.25 -2.31 121.76 128.34 1n8r s ALA 66 Ca -0.08 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1n8r s ALA 66 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1n8r s ALA 66 CO 0.04 0.20 -0.11 0.42 0.00 0.00 0.00 175.76 176.31 1n8r s ILE 67 N 0.31 0.82 0.49 0.00 -1.09 -0.94 -4.84 121.20 115.95 1n8r s ILE 67 Ca 0.03 -0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 1n8r s ILE 67 Cb -0.12 -0.79 -0.06 0.00 -1.58 0.00 0.00 42.46 39.90 1n8r s ILE 67 CO 0.00 -0.13 1.21 0.00 -1.23 0.00 0.00 174.94 174.79 1n8r s ARG 68 N -1.21 3.53 0.70 2.79 3.03 -1.26 -1.74 118.95 124.80 1n8r s ARG 68 Ca -0.03 1.86 -0.09 0.00 2.03 0.00 0.00 55.73 59.51 1n8r s ARG 68 Cb -0.08 -2.31 0.04 0.00 -1.03 0.00 0.00 34.95 31.58 1n8r s ARG 68 CO 0.01 -0.76 1.05 0.15 -1.13 0.00 0.00 175.30 174.62 1n8r s LYS 69 N -2.84 2.47 1.01 3.89 1.02 0.60 -4.83 119.74 121.06 1n8r s LYS 69 Ca 0.67 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1n8r s LYS 69 Cb -0.31 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1n8r s LYS 69 CO 0.37 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.05 1n8r n GLY 70 N -2.96 -1.99 3.44 -3.33 0.00 -1.26 -5.03 105.19 94.06 1n8r n GLY 70 Ca 0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1n8r n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 71 N -4.00 0.28 0.23 1.61 1.04 -1.26 -4.97 113.70 106.62 1n8r s SER 71 Ca 0.00 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 1n8r s SER 71 Cb 0.00 -1.75 -0.15 0.00 0.10 0.00 0.00 66.02 64.22 1n8r s SER 71 CO 0.00 -4.58 0.98 -0.24 0.98 0.00 0.00 173.24 170.38 1n8r n SER 72 N -5.14 0.88 -4.38 7.02 2.88 -1.19 -4.88 113.62 108.81 1n8r n SER 72 Ca 0.07 1.16 -0.46 0.00 -1.33 0.00 0.00 58.87 58.31 1n8r n SER 72 Cb 0.57 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.81 1n8r n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n8r s ARG 73 N -1.04 3.62 -0.29 -1.46 3.00 -1.26 -4.92 118.95 116.60 1n8r s ARG 73 Ca 0.65 -2.22 0.00 0.00 0.00 0.00 0.00 55.73 54.16 1n8r s ARG 73 Cb -0.80 -4.62 0.06 0.00 0.00 0.00 0.00 34.95 29.59 1n8r s ARG 73 CO 0.57 -1.48 -0.03 0.50 0.00 0.00 0.00 175.30 174.86 1n8r s ARG 74 N 1.08 2.28 0.01 3.54 3.52 -1.26 -5.11 118.95 123.02 1n8r s ARG 74 Ca 0.24 -1.36 -0.35 0.00 -0.13 0.00 0.00 55.73 54.14 1n8r s ARG 74 Cb -0.08 -3.09 -0.13 0.00 -1.56 0.00 0.00 34.95 30.09 1n8r s ARG 74 CO -0.09 -0.64 1.70 2.41 -0.81 0.00 0.00 175.30 177.87 1n8r n THR 75 N 4.53 0.27 -2.17 4.11 -1.04 -1.26 -4.79 114.28 113.92 1n8r n THR 75 Ca -0.12 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.45 1n8r n THR 75 Cb 0.43 -1.59 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 1n8r n THR 75 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1n8r s ARG 76 N 2.41 4.07 -0.31 -2.82 3.52 -1.26 -4.94 118.95 119.62 1n8r s ARG 76 Ca 0.87 2.02 -0.42 0.00 -0.13 0.00 0.00 55.73 58.06 1n8r s ARG 76 Cb -0.74 -2.78 -0.18 0.00 -1.56 0.00 0.00 34.95 29.70 1n8r s ARG 76 CO 0.47 -0.36 1.61 1.97 -0.81 0.00 0.00 175.30 178.17 1n8r n PHE 77 N 0.22 1.80 1.29 5.12 1.16 -1.26 -4.92 117.46 120.87 1n8r n PHE 77 Ca 0.03 0.81 0.08 0.00 -1.87 0.00 0.00 57.45 56.50 1n8r n PHE 77 Cb 0.45 -2.34 0.32 0.00 -1.61 0.00 0.00 39.48 36.29 1n8r n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1n8r n ASN 78 N 4.35 1.39 -3.45 5.98 4.13 -1.26 -4.93 115.26 121.46 1n8r n ASN 78 Ca 0.27 -1.76 -0.13 0.00 1.68 0.00 0.00 54.58 54.63 1n8r n ASN 78 Cb 0.06 -0.12 -0.05 0.00 -1.54 0.00 0.00 39.78 38.14 1n8r n ASN 78 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1n8r s LYS 79 N -1.76 1.79 -0.12 3.52 -0.14 -1.26 -5.14 119.74 116.63 1n8r s LYS 79 Ca 0.27 -1.65 -0.40 0.00 -1.36 0.00 0.00 55.97 52.83 1n8r s LYS 79 Cb 0.14 0.44 -0.18 0.00 -1.68 0.00 0.00 37.83 36.55 1n8r s LYS 79 CO 0.21 -0.74 1.37 0.41 -0.76 0.00 0.00 175.35 175.84 1n8r n GLY 80 N -0.51 0.23 3.08 -3.33 0.00 -1.26 -5.00 105.19 98.40 1n8r n GLY 80 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 1n8r n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8r s ARG 81 N 1.35 0.22 0.61 1.61 3.00 -1.26 -5.15 118.95 119.32 1n8r s ARG 81 Ca 0.93 0.64 -0.18 0.00 0.00 0.00 0.00 55.73 57.13 1n8r s ARG 81 Cb -1.19 -0.07 -0.03 0.00 0.00 0.00 0.00 34.95 33.67 1n8r s ARG 81 CO 0.61 -0.20 1.18 -0.98 0.00 0.00 0.00 175.30 175.90 1n8r s ARG 82 N 1.64 2.92 0.25 3.54 1.70 -1.26 -4.76 118.95 122.98 1n8r s ARG 82 Ca -0.06 1.71 -0.13 0.00 -0.47 0.00 0.00 55.73 56.78 1n8r s ARG 82 Cb -0.11 -1.94 0.35 0.00 -0.57 0.00 0.00 34.95 32.68 1n8r s ARG 82 CO -0.09 -1.22 1.56 0.66 -1.08 0.00 0.00 175.30 175.13 1n8r h SER 83 N 0.68 -1.11 -1.08 -2.89 4.64 -2.01 -0.17 113.55 111.61 1n8r h SER 83 Ca -0.49 0.29 0.39 0.00 -0.47 0.00 0.00 61.79 61.51 1n8r h SER 83 Cb 1.28 0.66 -0.15 0.00 -0.31 0.00 0.00 62.40 63.87 1n8r h SER 83 CO 0.55 -0.31 0.63 0.50 -0.87 0.00 0.00 176.83 177.33 1n8r h LYS 84 N -0.01 0.14 -0.28 4.77 3.11 -2.04 0.59 116.57 122.84 1n8r h LYS 84 Ca 0.41 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1n8r h LYS 84 Cb 0.65 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1n8r h LYS 84 CO -0.97 0.09 0.00 0.54 -2.81 0.00 0.00 179.45 176.30 1n8r n ARG 85 N -5.03 2.32 0.00 1.90 5.12 -0.10 -4.38 116.66 116.49 1n8r n ARG 85 Ca 0.35 -2.11 0.11 0.00 -1.93 0.00 0.00 57.85 54.28 1n8r n ARG 85 Cb 1.21 -1.46 0.56 0.00 -1.16 0.00 0.00 32.46 31.61 1n8r n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1n8r n MET 86 N 1.34 0.23 -1.64 5.56 2.81 0.20 -4.89 117.12 120.73 1n8r n MET 86 Ca 0.17 0.08 -0.43 0.00 -1.81 0.00 0.00 57.70 55.70 1n8r n MET 86 Cb 0.57 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.57 1n8r n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n8r n MET 87 N -1.35 1.69 0.00 0.03 -0.00 -1.26 -4.80 117.12 111.42 1n8r n MET 87 Ca 0.09 0.59 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 1n8r n MET 87 Cb 0.21 -2.08 0.00 0.00 -0.00 0.00 0.00 33.22 31.35 1n8r n MET 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1n8r n VAL 88 N 0.17 0.00 -0.04 3.17 0.31 -1.26 -4.86 118.33 115.82 1n8r n VAL 88 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 1n8r n VAL 88 Cb 0.35 -0.06 -0.12 0.00 -0.91 0.00 0.00 33.84 33.09 1n8r n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1n8r h ASN 89 N 0.00 0.13 0.18 4.52 2.35 -1.91 -3.40 115.58 117.45 1n8r h ASN 89 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1n8r h ASN 89 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1n8r h ASN 89 CO 0.00 1.00 -0.22 0.54 -1.65 0.00 0.00 177.43 177.10 1n8r n ARG 90 N -4.53 1.02 -2.61 0.81 1.74 -1.26 -4.77 116.66 107.06 1n8r n ARG 90 Ca -0.10 -0.62 -0.35 0.00 -0.77 0.00 0.00 57.85 56.01 1n8r n ARG 90 Cb 0.51 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1n8r n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1n8r s ILE 91 N -2.40 3.88 0.07 0.55 1.01 -1.26 -5.01 121.20 118.04 1n8r s ILE 91 Ca 0.27 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1n8r s ILE 91 Cb 0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1n8r s ILE 91 CO 0.49 -0.11 -0.06 0.42 0.00 0.00 0.00 174.94 175.68 1n8r s THR 92 N -1.83 0.54 0.76 2.92 -4.23 -1.26 -3.18 115.64 109.36 1n8r s THR 92 Ca 0.61 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1n8r s THR 92 Cb -0.18 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.40 1n8r s THR 92 CO 0.23 -0.76 1.08 -0.13 -0.54 0.00 0.00 174.62 174.50 1n8r s ARG 93 N -3.18 2.36 0.00 3.99 1.81 -1.26 -4.84 118.95 117.84 1n8r s ARG 93 Ca 0.04 0.75 0.20 0.00 -1.72 0.00 0.00 55.73 55.01 1n8r s ARG 93 Cb 0.01 -1.94 0.55 0.00 -0.45 0.00 0.00 34.95 33.12 1n8r s ARG 93 CO -0.04 -1.45 1.46 1.63 -0.68 0.00 0.00 175.30 176.22 1n8r n LYS 94 N -3.34 2.44 -5.02 3.54 5.02 -1.26 -4.79 118.16 114.75 1n8r n LYS 94 Ca 0.07 -2.22 -0.32 0.00 -2.02 0.00 0.00 58.31 53.82 1n8r n LYS 94 Cb 0.55 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.92 1n8r n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1n8r s LYS 95 N -1.26 3.09 0.47 1.97 2.20 -1.26 -5.00 119.74 119.96 1n8r s LYS 95 Ca 0.41 -0.79 -0.19 0.00 -0.36 0.00 0.00 55.97 55.04 1n8r s LYS 95 Cb 0.22 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 34.02 1n8r s LYS 95 CO 0.29 0.25 0.97 0.54 -0.36 0.00 0.00 175.35 177.04 1n8r s ASN 96 N 0.20 6.76 0.42 1.43 4.22 -1.26 -4.89 114.94 121.82 1n8r s ASN 96 Ca -0.12 1.64 0.22 0.00 -2.14 0.00 0.00 52.86 52.46 1n8r s ASN 96 Cb -0.16 -2.53 1.19 0.00 1.28 0.00 0.00 41.25 41.03 1n8r s ASN 96 CO 0.06 -0.49 1.76 0.40 -2.04 0.00 0.00 177.10 176.80 1n8r h ILE 97 N 1.42 0.47 -0.74 0.54 2.04 -1.98 0.54 117.51 119.80 1n8r h ILE 97 Ca -0.48 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1n8r h ILE 97 Cb 1.18 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1n8r h ILE 97 CO 0.61 0.06 0.47 -0.61 0.00 0.00 0.00 178.15 178.68 1n8r h GLN 98 N 0.32 0.99 -0.32 2.37 4.15 -2.00 -1.04 115.11 119.58 1n8r h GLN 98 Ca 0.61 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.85 1n8r h GLN 98 Cb 1.69 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.16 1n8r h GLN 98 CO -0.27 0.68 -0.24 -0.09 -1.93 0.00 0.00 178.83 176.98 1n8r h ARG 99 N 1.01 0.72 -0.44 1.69 2.43 -0.28 -1.82 114.38 117.69 1n8r h ARG 99 Ca 0.27 -0.35 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1n8r h ARG 99 Cb -0.08 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1n8r h ARG 99 CO -0.05 0.96 0.14 0.82 -1.51 0.00 0.00 179.97 180.33 1n8r h ILE 100 N 0.48 0.84 0.05 1.20 2.04 -1.17 -1.35 117.51 119.60 1n8r h ILE 100 Ca 0.06 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1n8r h ILE 100 Cb 0.79 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1n8r h ILE 100 CO 0.06 0.06 -0.44 0.00 0.00 0.00 0.00 178.15 177.83 1n8r h ALA 101 N 1.30 -0.90 -0.82 1.87 0.00 -0.86 -0.68 119.26 119.17 1n8r h ALA 101 Ca 0.21 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.24 1n8r h ALA 101 Cb 0.22 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1n8r h ALA 101 CO -0.22 -1.02 0.16 0.93 0.00 0.00 0.00 179.25 179.09 1n8r h GLU 102 N -0.59 0.19 0.16 0.00 5.08 -0.81 -1.00 114.58 117.61 1n8r h GLU 102 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1n8r h GLU 102 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1n8r h GLU 102 CO -0.27 0.12 -0.08 0.93 -1.00 0.00 0.00 179.01 178.72 1n8r h GLU 103 N 0.19 -0.21 -0.15 2.33 5.08 -0.28 -0.52 114.58 121.02 1n8r h GLU 103 Ca 0.48 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1n8r h GLU 103 Cb 0.91 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1n8r h GLU 103 CO -0.63 -0.12 -0.19 0.00 -1.00 0.00 0.00 179.01 177.07 1n8r h ARG 104 N -0.25 -0.22 -0.23 2.33 3.08 0.06 -0.45 114.38 118.70 1n8r h ARG 104 Ca -0.02 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1n8r h ARG 104 Cb 0.19 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1n8r h ARG 104 CO 0.04 -0.15 -0.32 0.00 -1.07 0.00 0.00 179.97 178.47 1n8r h ALA 105 N 0.81 -0.30 -0.70 0.04 0.00 -1.10 -1.51 119.26 116.51 1n8r h ALA 105 Ca 0.11 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1n8r h ALA 105 Cb 0.38 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1n8r h ALA 105 CO -0.28 -0.77 0.36 -0.97 0.00 0.00 0.00 179.25 177.59 1n8r h ASN 106 N -0.34 0.49 -0.38 0.00 -0.73 -0.34 -0.15 115.58 114.13 1n8r h ASN 106 Ca 0.12 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1n8r h ASN 106 Cb 0.54 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1n8r h ASN 106 CO -0.42 0.29 0.16 0.03 -0.37 0.00 0.00 177.43 177.12 1n8r h ARG 107 N 0.63 0.63 0.00 6.67 3.08 -0.54 -0.31 114.38 124.53 1n8r h ARG 107 Ca 0.33 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1n8r h ARG 107 Cb 0.31 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1n8r h ARG 107 CO -0.24 0.54 -0.08 0.87 -1.07 0.00 0.00 179.97 179.99 1n8r h LYS 108 N 0.62 0.00 -2.29 0.04 1.79 -0.02 -3.04 116.57 113.68 1n8r h LYS 108 Ca 0.15 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.01 1n8r h LYS 108 Cb 0.16 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.40 1n8r h LYS 108 CO -0.01 0.08 -0.48 1.19 -1.08 0.00 0.00 179.45 179.14 1n8r n PHE 109 N -4.38 3.95 -0.19 -1.35 3.01 -0.14 -4.95 117.46 113.40 1n8r n PHE 109 Ca -0.03 -3.87 0.19 0.00 1.01 0.00 0.00 57.45 54.76 1n8r n PHE 109 Cb 0.16 -0.56 0.35 0.00 -0.01 0.00 0.00 39.48 39.43 1n8r n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1n8r n PRO 110 N -0.23 -0.04 0.19 -1.08 -0.04 -1.11 0.11 135.00 132.80 1n8r n PRO 110 Ca 0.32 0.83 0.12 0.00 -0.04 0.00 0.00 63.50 64.74 1n8r n PRO 110 Cb 0.38 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 1n8r n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1n8r h ASN 111 N 0.00 0.00 -3.02 3.54 -1.07 -1.92 -3.46 115.58 109.64 1n8r h ASN 111 Ca 0.51 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 56.37 1n8r h ASN 111 Cb 1.34 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 1n8r h ASN 111 CO -0.46 0.00 -0.20 -0.76 0.07 0.00 0.00 177.43 176.08 1n8r s LEU 112 N -5.73 4.09 -0.03 6.14 1.43 0.30 -4.59 118.68 120.29 1n8r s LEU 112 Ca 0.08 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 1n8r s LEU 112 Cb 0.07 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1n8r s LEU 112 CO 0.64 -0.18 -0.19 -0.13 0.23 0.00 0.00 176.35 176.72 1n8r s ARG 113 N -3.68 2.31 -0.01 1.70 0.52 -0.83 -4.91 118.95 114.06 1n8r s ARG 113 Ca 0.42 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1n8r s ARG 113 Cb -0.11 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 1n8r s ARG 113 CO 0.31 0.59 1.40 0.08 0.02 0.00 0.00 175.30 177.70 1n8r s VAL 114 N -0.71 3.74 -0.23 3.52 1.01 -1.26 -1.14 120.40 125.32 1n8r s VAL 114 Ca 0.11 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1n8r s VAL 114 Cb -0.10 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.37 1n8r s VAL 114 CO 0.01 -0.01 -0.09 -0.11 0.00 0.00 0.00 175.10 174.89 1n8r n LEU 115 N 5.44 2.86 0.00 3.92 -0.00 0.10 -4.81 117.00 124.52 1n8r n LEU 115 Ca 0.13 -0.06 0.03 0.00 -0.00 0.00 0.00 56.01 56.11 1n8r n LEU 115 Cb 0.44 -0.93 0.01 0.00 -0.00 0.00 0.00 43.42 42.93 1n8r n LEU 115 CO 0.58 0.91 0.75 -3.20 -0.00 0.00 0.00 177.39 176.44 1n8r n ASN 116 N -3.30 -0.68 -3.55 1.96 2.85 -1.14 -4.73 115.26 106.66 1n8r n ASN 116 Ca -0.43 -1.05 -0.10 0.00 -0.11 0.00 0.00 54.58 52.90 1n8r n ASN 116 Cb 1.01 1.03 -0.04 0.00 1.24 0.00 0.00 39.78 43.01 1n8r n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1n8r s SER 117 N -2.88 -0.37 0.08 1.20 1.04 -1.26 -0.50 113.70 111.01 1n8r s SER 117 Ca 0.20 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.82 1n8r s SER 117 Cb -0.00 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 1n8r s SER 117 CO -0.01 -0.43 0.17 -0.72 0.98 0.00 0.00 173.24 173.23 1n8r s TYR 118 N -1.81 0.17 0.47 5.02 -0.85 -0.83 -4.95 117.35 114.58 1n8r s TYR 118 Ca 0.01 -0.60 -0.19 0.00 -0.52 0.00 0.00 57.07 55.77 1n8r s TYR 118 Cb -0.01 -0.08 -0.09 0.00 0.38 0.00 0.00 41.96 42.16 1n8r s TYR 118 CO -0.02 -0.53 0.96 0.45 -1.52 0.00 0.00 175.55 174.90 1n8r s SER 119 N -2.82 6.78 -0.04 -0.18 0.15 -1.26 -0.34 113.70 115.99 1n8r s SER 119 Ca 0.04 1.63 0.11 0.00 0.70 0.00 0.00 55.95 58.43 1n8r s SER 119 Cb 0.05 -2.52 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 1n8r s SER 119 CO -0.11 -0.47 1.09 1.33 1.20 0.00 0.00 173.24 176.28 1n8r n VAL 120 N -1.10 0.54 0.00 4.45 0.24 0.06 -4.80 118.33 117.72 1n8r n VAL 120 Ca 0.07 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1n8r n VAL 120 Cb 0.54 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1n8r n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n8r n GLY 121 N -0.24 -1.40 3.58 7.63 0.00 -1.23 -4.84 105.19 108.70 1n8r n GLY 121 Ca 0.06 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 1n8r n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8r s GLU 122 N -0.46 0.51 0.00 1.61 -1.05 -1.26 -0.05 118.70 117.99 1n8r s GLU 122 Ca 0.00 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1n8r s GLU 122 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1n8r s GLU 122 CO 0.00 -0.17 0.00 -0.40 0.95 0.00 0.00 175.26 175.64 1n8r n ASP 123 N 0.55 1.10 -0.17 0.83 5.68 -0.92 -4.96 116.55 118.66 1n8r n ASP 123 Ca -0.08 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.38 1n8r n ASP 123 Cb 0.58 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.09 1n8r n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1n8r h GLY 124 N 0.00 0.66 0.00 6.12 0.00 -2.03 -3.30 103.07 104.51 1n8r h GLY 124 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1n8r h GLY 124 CO 0.00 0.04 0.00 -0.96 0.00 0.00 0.00 176.54 175.62 1n8r n ARG 125 N -4.47 2.99 -3.69 4.80 1.85 -1.26 -4.88 116.66 112.00 1n8r n ARG 125 Ca 0.15 -0.04 -0.21 0.00 -1.00 0.00 0.00 57.85 56.75 1n8r n ARG 125 Cb 0.59 -0.34 -0.04 0.00 -1.05 0.00 0.00 32.46 31.62 1n8r n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1n8r s HIS 126 N -0.44 2.72 -0.10 2.89 3.76 -1.25 0.22 115.29 123.10 1n8r s HIS 126 Ca 0.00 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.37 1n8r s HIS 126 Cb 0.00 -2.07 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1n8r s HIS 126 CO 0.00 -0.02 0.24 0.15 -0.85 0.00 0.00 174.74 174.26 1n8r s LYS 127 N -4.07 0.24 -0.04 1.40 1.02 -0.71 -2.16 119.74 115.42 1n8r s LYS 127 Ca 0.46 0.43 0.06 0.00 0.02 0.00 0.00 55.97 56.94 1n8r s LYS 127 Cb -0.03 0.00 -0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1n8r s LYS 127 CO 0.27 -0.10 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.80 1n8r s TRP 128 N 0.71 2.05 0.03 3.18 0.51 0.92 -2.22 118.94 124.12 1n8r s TRP 128 Ca -0.05 -0.54 0.03 0.00 -2.12 0.00 0.00 56.10 53.42 1n8r s TRP 128 Cb -0.06 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.23 1n8r s TRP 128 CO -0.04 -0.15 -0.09 -1.01 -0.51 0.00 0.00 176.95 175.15 1n8r s HIS 129 N -0.19 0.75 -0.19 -1.98 3.76 -0.98 -0.76 115.29 115.70 1n8r s HIS 129 Ca -0.00 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 1n8r s HIS 129 Cb -0.11 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 1n8r s HIS 129 CO 0.02 -0.03 0.05 -1.21 -0.85 0.00 0.00 174.74 172.72 1n8r s GLU 130 N -1.09 3.87 -0.16 1.40 2.02 0.54 0.05 118.70 125.32 1n8r s GLU 130 Ca -0.04 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 1n8r s GLU 130 Cb -0.07 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1n8r s GLU 130 CO 0.00 0.16 0.07 0.08 0.02 0.00 0.00 175.26 175.60 1n8r s VAL 131 N 0.65 4.84 -0.36 2.63 1.01 0.30 -1.96 120.40 127.52 1n8r s VAL 131 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1n8r s VAL 131 Cb -0.13 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1n8r s VAL 131 CO 0.02 0.51 0.41 -0.63 0.00 0.00 0.00 175.10 175.40 1n8r s ILE 132 N -0.04 5.12 0.24 2.22 1.01 0.34 -1.58 121.20 128.51 1n8r s ILE 132 Ca 0.07 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.85 1n8r s ILE 132 Cb -0.12 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1n8r s ILE 132 CO 0.01 -0.18 0.05 -0.76 0.00 0.00 0.00 174.94 174.06 1n8r s LEU 133 N 2.13 3.39 -0.01 2.97 1.02 0.12 0.03 118.68 128.33 1n8r s LEU 133 Ca 0.13 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.84 1n8r s LEU 133 Cb -0.16 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.09 1n8r s LEU 133 CO 0.12 0.01 -0.10 -0.63 0.02 0.00 0.00 176.35 175.78 1n8r s ILE 134 N -2.13 0.76 -0.80 -0.59 -1.09 -0.29 -0.81 121.20 116.25 1n8r s ILE 134 Ca 0.31 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 1n8r s ILE 134 Cb -0.08 -0.64 0.11 0.00 -1.58 0.00 0.00 42.46 40.27 1n8r s ILE 134 CO 0.21 0.20 1.03 -0.62 -1.23 0.00 0.00 174.94 174.53 1n8r s ASP 135 N -0.27 6.42 0.13 3.58 -1.08 0.19 -1.96 116.67 123.68 1n8r s ASP 135 Ca 0.03 -1.59 0.10 0.00 -0.52 0.00 0.00 52.55 50.57 1n8r s ASP 135 Cb -0.04 -2.40 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 1n8r s ASP 135 CO -0.00 -1.21 1.32 -0.81 0.52 0.00 0.00 175.17 174.98 1n8r n PRO 136 N 6.98 0.06 -0.00 4.34 -0.04 -1.26 -2.26 135.00 142.82 1n8r n PRO 136 Ca 0.11 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.19 1n8r n PRO 136 Cb 0.47 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 1n8r n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n8r n ASP 137 N -1.81 0.85 -4.67 3.54 8.00 -1.26 -4.69 116.55 116.51 1n8r n ASP 137 Ca -0.00 -0.85 -0.41 0.00 0.71 0.00 0.00 54.79 54.24 1n8r n ASP 137 Cb 0.04 1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.23 1n8r n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1n8r s HIS 138 N -3.07 3.41 0.88 1.24 2.46 -0.96 -4.96 115.29 114.29 1n8r s HIS 138 Ca 0.06 1.15 -0.10 0.00 0.47 0.00 0.00 55.06 56.63 1n8r s HIS 138 Cb 0.16 -2.93 0.12 0.00 -0.13 0.00 0.00 32.58 29.80 1n8r s HIS 138 CO 0.87 -0.20 1.12 -1.25 -2.47 0.00 0.00 174.74 172.82 1n8r s PRO 139 N 1.99 1.32 0.00 2.88 0.04 -1.26 -1.93 135.00 138.05 1n8r s PRO 139 Ca 0.35 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1n8r s PRO 139 Cb -0.16 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1n8r s PRO 139 CO 0.12 -2.37 0.00 0.00 0.04 0.00 0.00 177.00 174.79 1n8r n ALA 140 N -4.04 0.00 -0.09 8.56 0.00 -1.26 -4.53 120.51 119.15 1n8r n ALA 140 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1n8r n ALA 140 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1n8r n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1n8r n ILE 141 N 0.00 0.98 -0.27 0.00 5.41 -0.87 -3.55 119.36 121.06 1n8r n ILE 141 Ca 0.00 -0.32 0.09 0.00 1.00 0.00 0.00 62.75 63.53 1n8r n ILE 141 Cb 0.00 -1.40 0.34 0.00 -0.71 0.00 0.00 39.64 37.87 1n8r n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1n8r h LYS 142 N -0.30 0.76 -0.33 0.38 1.57 -1.62 0.74 116.57 117.78 1n8r h LYS 142 Ca -0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1n8r h LYS 142 Cb 1.50 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1n8r h LYS 142 CO -0.16 0.51 0.00 0.43 -0.57 0.00 0.00 179.45 179.65 1n8r n SER 143 N -4.54 2.29 -4.53 0.86 7.64 -1.26 -4.67 113.62 109.41 1n8r n SER 143 Ca 0.16 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.73 1n8r n SER 143 Cb 0.37 -0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 1n8r n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n8r s ASP 144 N -1.31 6.31 0.00 6.43 -1.08 0.25 -4.88 116.67 122.40 1n8r s ASP 144 Ca 0.32 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1n8r s ASP 144 Cb 0.18 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1n8r s ASP 144 CO 0.25 -0.65 0.82 0.47 0.52 0.00 0.00 175.17 176.58 1n8r n ASP 145 N 6.00 0.00 -0.03 -0.34 8.00 -1.26 0.04 116.55 128.96 1n8r n ASP 145 Ca -0.03 0.34 0.04 0.00 0.71 0.00 0.00 54.79 55.85 1n8r n ASP 145 Cb 0.48 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1n8r n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r n GLN 146 N -1.32 3.93 0.00 -1.24 6.02 -1.26 -4.67 117.38 118.84 1n8r n GLN 146 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1n8r n GLN 146 Cb 0.07 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1n8r n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n8r n LEU 147 N -1.07 0.00 0.32 1.08 4.77 -0.76 -4.75 117.00 116.60 1n8r n LEU 147 Ca 0.02 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1n8r n LEU 147 Cb 0.14 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.84 1n8r n LEU 147 CO 0.16 0.00 1.07 0.77 -1.33 0.00 0.00 177.39 178.06 1n8r h SER 148 N 0.00 0.00 0.39 -1.43 4.64 -0.39 1.00 113.55 117.75 1n8r h SER 148 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1n8r h SER 148 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n8r h SER 148 CO 0.00 0.00 -0.05 4.11 -0.87 0.00 0.00 176.83 180.02 1n8r h TRP 149 N 0.00 0.00 0.00 4.77 5.08 -1.85 -1.79 115.95 122.16 1n8r h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1n8r h TRP 149 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1n8r h TRP 149 CO 0.00 0.05 0.00 1.51 -1.28 0.00 0.00 178.44 178.72 1n8r n ILE 150 N -3.36 0.38 0.17 0.12 3.06 0.34 -3.18 119.36 116.90 1n8r n ILE 150 Ca -0.02 -0.18 0.04 0.00 -2.50 0.00 0.00 62.75 60.09 1n8r n ILE 150 Cb 0.20 -0.56 0.25 0.00 0.54 0.00 0.00 39.64 40.07 1n8r n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1n8r h SER 151 N 0.00 0.00 -2.46 9.51 0.02 -1.48 -3.45 113.55 115.69 1n8r h SER 151 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 1n8r h SER 151 Cb 0.65 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.31 1n8r h SER 151 CO 0.00 0.45 -0.01 0.54 -1.14 0.00 0.00 176.83 176.67 1n8r n ARG 152 N -3.51 1.11 -0.04 3.45 5.12 -1.19 -4.85 116.66 116.75 1n8r n ARG 152 Ca -0.00 0.39 0.07 0.00 -1.93 0.00 0.00 57.85 56.38 1n8r n ARG 152 Cb 0.58 -1.76 0.45 0.00 -1.16 0.00 0.00 32.46 30.57 1n8r n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1n8r h THR 153 N 1.59 1.02 0.00 0.55 2.02 -1.92 -1.13 112.91 115.05 1n8r h THR 153 Ca -0.40 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1n8r h THR 153 Cb 1.36 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1n8r h THR 153 CO 0.58 0.09 0.00 0.54 0.37 0.00 0.00 175.52 177.10 1n8r n ARG 154 N -4.47 0.09 -0.27 6.66 1.74 -1.26 -1.63 116.66 117.52 1n8r n ARG 154 Ca 0.06 0.59 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 1n8r n ARG 154 Cb 0.18 -1.81 0.26 0.00 -1.02 0.00 0.00 32.46 30.07 1n8r n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1n8r n HIS 155 N -2.01 0.71 -1.68 -1.55 8.25 -0.43 -4.93 115.22 113.59 1n8r n HIS 155 Ca -0.01 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.67 1n8r n HIS 155 Cb 0.03 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1n8r n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1n8r s ARG 156 N -1.26 4.14 -1.14 -0.41 0.52 -0.65 -2.38 118.95 117.77 1n8r s ARG 156 Ca 0.43 2.62 -0.07 0.00 -0.52 0.00 0.00 55.73 58.19 1n8r s ARG 156 Cb 0.24 -3.90 0.01 0.00 0.52 0.00 0.00 34.95 31.82 1n8r s ARG 156 CO 0.32 -0.91 0.99 1.28 0.02 0.00 0.00 175.30 177.01 1n8r n LEU 157 N 6.67 -3.20 -0.24 2.53 4.77 -1.26 -4.94 117.00 121.34 1n8r n LEU 157 Ca 0.19 -0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 1n8r n LEU 157 Cb 0.40 -2.63 0.03 0.00 -2.33 0.00 0.00 43.42 38.88 1n8r n LEU 157 CO 0.67 0.55 0.64 0.03 -1.33 0.00 0.00 177.39 177.94 1n8r h ARG 158 N -2.27 -0.11 -0.46 3.23 3.08 -1.83 -1.71 114.38 114.32 1n8r h ARG 158 Ca -0.48 0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.66 1n8r h ARG 158 Cb 1.31 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.32 1n8r h ARG 158 CO 0.47 -0.07 0.07 1.79 -1.07 0.00 0.00 179.97 181.16 1n8r h THR 159 N -0.11 0.72 0.00 2.04 1.35 -1.90 -0.18 112.91 114.83 1n8r h THR 159 Ca 0.27 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1n8r h THR 159 Cb 0.56 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1n8r h THR 159 CO -0.74 0.04 0.00 0.49 -0.25 0.00 0.00 175.52 175.05 1n8r n PHE 160 N -5.13 0.00 0.38 4.73 3.01 -0.65 0.46 117.46 120.26 1n8r n PHE 160 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.56 1n8r n PHE 160 Cb 0.23 -0.43 0.05 0.00 -0.01 0.00 0.00 39.48 39.32 1n8r n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n8r n ARG 161 N -1.43 0.73 -1.44 -1.08 1.74 -0.19 -4.97 116.66 110.02 1n8r n ARG 161 Ca 0.01 -1.23 -0.07 0.00 -0.77 0.00 0.00 57.85 55.79 1n8r n ARG 161 Cb 0.03 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1n8r n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 162 N 0.59 0.70 0.00 -0.13 0.00 0.17 -4.89 105.19 101.63 1n8r n GLY 162 Ca 0.07 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1n8r n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8r n LEU 163 N -0.84 0.00 -4.50 0.99 4.77 -0.57 -3.13 117.00 113.73 1n8r n LEU 163 Ca -0.07 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.90 1n8r n LEU 163 Cb 0.31 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.36 1n8r n LEU 163 CO 0.10 -0.03 0.55 0.28 -1.33 0.00 0.00 177.39 176.96 1n8r s THR 164 N -2.59 1.50 0.00 -5.08 -1.32 -1.26 -4.71 115.64 102.18 1n8r s THR 164 Ca 0.25 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1n8r s THR 164 Cb 0.18 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1n8r s THR 164 CO 0.41 0.00 0.84 -1.54 -2.21 0.00 0.00 174.62 172.12 1n8r n SER 165 N -5.04 0.00 0.19 8.08 3.41 -1.26 -1.37 113.62 117.63 1n8r n SER 165 Ca 0.12 0.84 0.17 0.00 -0.26 0.00 0.00 58.87 59.74 1n8r n SER 165 Cb 0.59 -0.34 0.82 0.00 -0.26 0.00 0.00 64.21 65.03 1n8r n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n8r h ALA 166 N -1.96 1.84 0.06 7.33 0.00 -1.94 -2.60 119.26 121.99 1n8r h ALA 166 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n8r h ALA 166 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n8r h ALA 166 CO 0.00 -0.33 -0.04 0.78 0.00 0.00 0.00 179.25 179.67 1n8r h GLY 167 N 0.00 -0.29 -0.12 0.00 0.00 -1.72 0.33 103.07 101.26 1n8r h GLY 167 Ca 0.10 0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.72 1n8r h GLY 167 CO -0.00 -0.11 0.18 3.21 0.00 0.00 0.00 176.54 179.82 1n8r h ARG 168 N -0.09 0.25 -0.68 4.80 3.08 -0.86 0.11 114.38 120.99 1n8r h ARG 168 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n8r h ARG 168 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1n8r h ARG 168 CO 0.01 0.17 0.41 0.00 -1.07 0.00 0.00 179.97 179.48 1n8r h ARG 169 N 0.26 0.93 0.00 0.04 3.08 -1.41 -1.27 114.38 116.01 1n8r h ARG 169 Ca 0.43 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.35 1n8r h ARG 169 Cb 0.74 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1n8r h ARG 169 CO -0.53 0.67 -0.18 0.00 -1.07 0.00 0.00 179.97 178.86 1n8r n ARG 171 N -3.92 1.30 -1.05 0.00 1.74 0.20 -4.88 116.66 110.04 1n8r n ARG 171 Ca -0.02 -0.47 -0.02 0.00 -0.77 0.00 0.00 57.85 56.58 1n8r n ARG 171 Cb 0.27 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 1n8r n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 172 N 0.76 0.50 0.17 -0.13 0.00 -0.88 -4.83 105.19 100.78 1n8r n GLY 172 Ca 0.07 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1n8r n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8r n LEU 173 N -0.18 0.53 0.18 0.99 4.77 -1.11 -4.42 117.00 117.76 1n8r n LEU 173 Ca -0.02 -0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.61 1n8r n LEU 173 Cb 0.14 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1n8r n LEU 173 CO 0.02 0.10 0.55 0.03 -1.33 0.00 0.00 177.39 176.76 1n8r h ARG 174 N 0.79 -0.78 -6.72 3.23 3.08 -1.84 -3.42 114.38 108.72 1n8r h ARG 174 Ca 0.00 0.05 -0.51 0.00 0.07 0.00 0.00 59.98 59.59 1n8r h ARG 174 Cb 0.17 0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1n8r h ARG 174 CO 0.00 -0.52 0.50 0.20 -1.07 0.00 0.00 179.97 179.08 1n8r s GLY 175 N -2.24 2.89 0.00 0.04 0.00 -1.26 -4.93 107.32 101.82 1n8r s GLY 175 Ca -0.17 0.89 0.25 0.00 0.00 0.00 0.00 44.72 45.70 1n8r s GLY 175 CO 0.62 1.66 1.43 -1.06 0.00 0.00 0.00 173.10 175.74 1n8r n GLN 176 N 1.92 0.33 0.00 2.90 6.02 -1.26 -4.67 117.38 122.62 1n8r n GLN 176 Ca 0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1n8r n GLN 176 Cb 0.45 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1n8r n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n8r n GLY 177 N 1.44 5.05 2.65 1.08 0.00 -1.26 -4.97 105.19 109.17 1n8r n GLY 177 Ca 0.08 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1n8r n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n8r n LYS 178 N 0.00 0.00 0.00 1.61 4.81 -1.26 -1.86 118.16 121.46 1n8r n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n8r n LYS 178 Cb 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1n8r n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n8r n GLY 179 N 1.51 2.88 1.86 3.14 0.00 -1.26 -4.87 105.19 108.44 1n8r n GLY 179 Ca 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1n8r n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n8r n SER 180 N 0.34 4.60 -0.07 1.61 3.41 -0.77 -4.43 113.62 118.30 1n8r n SER 180 Ca 0.00 -3.10 -0.12 0.00 -0.26 0.00 0.00 58.87 55.38 1n8r n SER 180 Cb 0.00 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 1n8r n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1n8r h GLU 181 N 0.97 0.44 -0.21 4.33 3.07 -1.90 -3.03 114.58 118.25 1n8r h GLU 181 Ca 0.40 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1n8r h GLU 181 Cb 1.75 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1n8r h GLU 181 CO 0.80 0.72 0.00 1.63 -1.40 0.00 0.00 179.01 180.77 1n8r n LYS 182 N -4.55 1.94 -0.06 2.33 4.76 -1.26 -4.45 118.16 116.88 1n8r n LYS 182 Ca -0.05 -1.41 -0.05 0.00 -2.87 0.00 0.00 58.31 53.93 1n8r n LYS 182 Cb 0.33 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 1n8r n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1n8r n VAL 183 N 0.64 1.01 -2.80 -0.18 0.31 -1.16 -4.49 118.33 111.67 1n8r n VAL 183 Ca 0.17 0.28 -0.33 0.00 -0.01 0.00 0.00 64.34 64.45 1n8r n VAL 183 Cb 0.41 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.17 1n8r n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1n8r s ARG 184 N -2.08 4.20 0.00 5.55 3.52 -1.16 -1.99 118.95 127.00 1n8r s ARG 184 Ca -0.15 1.13 0.26 0.00 -0.13 0.00 0.00 55.73 56.85 1n8r s ARG 184 Cb 0.02 -2.17 0.78 0.00 -1.56 0.00 0.00 34.95 32.02 1n8r s ARG 184 CO 0.22 -0.05 1.60 -0.35 -0.81 0.00 0.00 175.30 175.90 1n8r n PRO 185 N -0.67 0.22 -3.59 5.12 -0.04 -1.26 -4.88 135.00 129.91 1n8r n PRO 185 Ca 0.07 -0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 1n8r n PRO 185 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1n8r n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n8r s SER 186 N -2.85 -0.65 0.09 3.54 1.04 -0.84 -5.04 113.70 108.99 1n8r s SER 186 Ca 0.16 1.04 -0.25 0.00 0.48 0.00 0.00 55.95 57.37 1n8r s SER 186 Cb 0.18 0.97 -0.13 0.00 0.10 0.00 0.00 66.02 67.14 1n8r s SER 186 CO 0.61 -0.37 1.69 -0.07 0.98 0.00 0.00 173.24 176.08 1n8r h LEU 187 N 3.99 -0.31 -0.48 2.42 3.38 -1.78 -2.22 115.31 120.31 1n8r h LEU 187 Ca -0.27 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1n8r h LEU 187 Cb 1.15 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1n8r h LEU 187 CO 0.20 -0.19 0.09 -0.09 0.09 0.00 0.00 178.44 178.54 1n8r h ARG 188 N -0.28 0.21 0.00 1.13 2.43 -1.92 0.57 114.38 116.52 1n8r h ARG 188 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1n8r h ARG 188 Cb 0.26 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1n8r h ARG 188 CO -0.01 0.14 -0.06 -0.24 -1.51 0.00 0.00 179.97 178.29 1n8r h VAL 189 N 0.22 0.77 -0.60 0.20 3.04 -1.92 -1.96 116.25 116.01 1n8r h VAL 189 Ca 0.24 -0.22 -0.27 0.00 -1.01 0.00 0.00 66.70 65.44 1n8r h VAL 189 Cb 0.32 1.13 -0.16 0.00 -2.01 0.00 0.00 31.29 30.56 1n8r h VAL 189 CO -0.32 0.06 0.35 0.59 -1.01 0.00 0.00 177.57 177.23 1n8r n ASN 190 N -4.08 3.61 -0.15 3.17 3.02 0.07 -4.87 115.26 116.02 1n8r n ASN 190 Ca -0.03 -2.96 -0.02 0.00 -0.03 0.00 0.00 54.58 51.54 1n8r n ASN 190 Cb 0.14 -0.70 -0.01 0.00 -0.61 0.00 0.00 39.78 38.60 1n8r n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8r n GLY 191 N -0.38 0.33 3.07 7.41 0.00 -0.74 -3.55 105.19 111.34 1n8r n GLY 191 Ca 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 1n8r n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 192 N 1.04 -2.43 -1.99 4.61 0.00 -0.46 -4.98 120.51 116.30 1n8r n ALA 192 Ca -0.02 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.53 1n8r n ALA 192 Cb 0.37 -3.28 0.11 0.00 0.00 0.00 0.00 19.45 16.65 1n8r n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8r n LYS 193 N -2.36 0.76 0.00 0.00 5.02 -1.23 -5.07 118.16 115.27 1n8r n LYS 193 Ca -0.03 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1n8r n LYS 193 Cb 0.55 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1n8r n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88