#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1c n ILE 6 N 0.00 0.00 -0.28 5.18 3.06 -1.26 -4.62 119.36 121.44 1n1c n ILE 6 Ca 0.00 -0.26 -0.03 0.00 -2.50 0.00 0.00 62.75 59.96 1n1c n ILE 6 Cb 0.00 0.52 0.08 0.00 0.54 0.00 0.00 39.64 40.79 1n1c n ILE 6 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1n1c h ASN 7 N 0.00 0.84 -0.57 9.51 -0.26 -2.05 -1.93 115.58 121.12 1n1c h ASN 7 Ca 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1n1c h ASN 7 Cb 0.49 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1n1c h ASN 7 CO 0.00 0.59 0.33 1.55 -1.06 0.00 0.00 177.43 178.84 1n1c h PRO 8 N 1.00 0.80 -0.54 0.81 0.13 -2.00 0.26 132.00 132.46 1n1c h PRO 8 Ca 0.30 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 65.28 1n1c h PRO 8 Cb -0.04 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 30.91 1n1c h PRO 8 CO -0.09 0.58 0.05 0.00 -0.23 0.00 0.00 178.00 178.31 1n1c h ALA 9 N 1.55 0.72 -0.56 -0.56 0.00 -1.75 -1.17 119.26 117.50 1n1c h ALA 9 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1n1c h ALA 9 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n1c h ALA 9 CO -0.04 0.51 0.18 0.00 0.00 0.00 0.00 179.25 179.90 1n1c h ARG 10 N 0.81 0.86 -0.71 0.00 3.08 -0.54 -1.62 114.38 116.25 1n1c h ARG 10 Ca 0.16 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1n1c h ARG 10 Cb 0.47 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1n1c h ARG 10 CO 0.02 0.78 0.44 0.00 -1.07 0.00 0.00 179.97 180.14 1n1c h ALA 11 N 1.04 0.94 -0.89 0.04 0.00 -0.27 -1.66 119.26 118.46 1n1c h ALA 11 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1n1c h ALA 11 Cb 0.27 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1n1c h ALA 11 CO -0.01 0.19 0.58 1.25 0.00 0.00 0.00 179.25 181.27 1n1c h LEU 12 N 0.84 0.98 -0.46 0.00 5.85 -0.68 0.16 115.31 122.00 1n1c h LEU 12 Ca 0.29 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.86 1n1c h LEU 12 Cb 0.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1n1c h LEU 12 CO -0.13 0.69 -0.27 0.58 -0.34 0.00 0.00 178.44 178.97 1n1c h VAL 13 N 1.15 1.27 -0.48 1.05 2.07 -0.74 -1.84 116.25 118.73 1n1c h VAL 13 Ca 0.35 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1n1c h VAL 13 Cb -0.05 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1n1c h VAL 13 CO -0.10 0.49 -0.04 1.88 0.02 0.00 0.00 177.57 179.82 1n1c h TYR 14 N 0.84 0.89 -0.20 1.57 0.05 -0.84 -1.36 116.97 117.93 1n1c h TYR 14 Ca 0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1n1c h TYR 14 Cb 0.86 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1n1c h TYR 14 CO 0.06 0.84 0.04 1.96 -1.05 0.00 0.00 178.16 180.00 1n1c h GLN 15 N 0.76 0.33 -0.03 4.88 1.08 -0.82 0.59 115.11 121.89 1n1c h GLN 15 Ca 0.14 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1n1c h GLN 15 Cb 0.52 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1n1c h GLN 15 CO 0.03 0.47 -0.08 1.25 -0.95 0.00 0.00 178.83 179.55 1n1c h LEU 16 N 0.13 -0.22 -1.05 1.46 5.85 -1.19 0.12 115.31 120.40 1n1c h LEU 16 Ca 0.06 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1n1c h LEU 16 Cb 0.30 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1n1c h LEU 16 CO 0.00 -0.11 0.64 -0.07 -0.34 0.00 0.00 178.44 178.57 1n1c h LEU 17 N -0.12 1.11 -0.18 2.25 3.38 -1.14 -2.20 115.31 118.42 1n1c h LEU 17 Ca 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n1c h LEU 17 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1n1c h LEU 17 CO -0.10 0.80 0.10 -1.28 0.09 0.00 0.00 178.44 178.05 1n1c h SER 18 N 1.31 0.22 -0.99 -0.43 0.87 -0.27 -2.74 113.55 111.52 1n1c h SER 18 Ca 0.36 -0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.96 1n1c h SER 18 Cb -0.14 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.69 1n1c h SER 18 CO -0.08 0.22 0.62 0.77 -0.53 0.00 0.00 176.83 177.82 1n1c h SER 19 N 0.20 0.94 0.23 6.23 4.64 -0.23 0.38 113.55 125.94 1n1c h SER 19 Ca 0.06 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1n1c h SER 19 Cb 0.04 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1n1c h SER 19 CO -0.01 0.54 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.35 1n1c h LEU 20 N 1.04 0.00 0.00 5.97 3.38 -1.10 -2.54 115.31 122.05 1n1c h LEU 20 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1n1c h LEU 20 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n1c h LEU 20 CO -0.23 0.07 -1.49 0.49 0.09 0.00 0.00 178.44 177.37 1n1c n PHE 21 N -3.68 0.00 -0.20 1.13 3.01 -0.53 -4.51 117.46 112.68 1n1c n PHE 21 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.34 1n1c n PHE 21 Cb 0.17 -0.26 0.02 0.00 -0.01 0.00 0.00 39.48 39.40 1n1c n PHE 21 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n1c h ALA 22 N 2.21 0.76 -2.45 4.37 0.00 -0.52 -3.47 119.26 120.16 1n1c h ALA 22 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1n1c h ALA 22 Cb 0.72 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1n1c h ALA 22 CO 0.00 0.58 0.43 -0.98 0.00 0.00 0.00 179.25 179.28 1n1c s ARG 23 N -5.05 1.00 0.86 0.00 1.70 -1.22 -0.38 118.95 115.85 1n1c s ARG 23 Ca -0.12 -0.41 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 1n1c s ARG 23 Cb 0.13 0.43 0.11 0.00 -0.57 0.00 0.00 34.95 35.05 1n1c s ARG 23 CO 0.84 -0.44 1.15 -1.83 -1.08 0.00 0.00 175.30 173.94 1n1c s GLU 24 N -3.30 1.42 -0.31 3.89 -1.05 -1.26 -4.76 118.70 113.33 1n1c s GLU 24 Ca 0.06 1.53 -0.20 0.00 -0.15 0.00 0.00 54.97 56.21 1n1c s GLU 24 Cb -0.01 -1.77 -0.01 0.00 -0.44 0.00 0.00 34.13 31.90 1n1c s GLU 24 CO -0.07 -2.33 0.61 0.08 0.95 0.00 0.00 175.26 174.49 1n1c s VAL 25 N -2.56 4.95 0.59 1.83 1.01 -1.26 -5.08 120.40 119.88 1n1c s VAL 25 Ca 0.67 0.76 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1n1c s VAL 25 Cb -0.23 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1n1c s VAL 25 CO 0.55 -0.15 0.81 1.51 0.00 0.00 0.00 175.10 177.82 1n1c s ASP 26 N 1.67 5.01 0.21 3.32 1.47 -1.26 -4.83 116.67 122.26 1n1c s ASP 26 Ca 0.24 -0.44 -0.12 0.00 1.18 0.00 0.00 52.55 53.41 1n1c s ASP 26 Cb -0.15 -0.23 0.27 0.00 -0.34 0.00 0.00 42.92 42.48 1n1c s ASP 26 CO 0.12 -1.36 1.65 -0.33 0.68 0.00 0.00 175.17 175.94 1n1c h GLU 27 N 0.02 0.07 -0.23 2.11 5.08 -1.99 0.12 114.58 119.76 1n1c h GLU 27 Ca -0.36 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1n1c h GLU 27 Cb 1.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1n1c h GLU 27 CO 0.44 0.04 0.12 0.37 -1.00 0.00 0.00 179.01 178.99 1n1c h GLN 28 N 0.07 0.25 -0.32 2.33 4.15 -2.00 -1.78 115.11 117.82 1n1c h GLN 28 Ca 0.31 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 1n1c h GLN 28 Cb 0.50 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1n1c h GLN 28 CO -0.57 0.17 0.13 -0.09 -1.93 0.00 0.00 178.83 176.54 1n1c h ARG 29 N 0.26 0.47 -0.74 1.69 9.65 -1.67 -2.19 114.38 121.85 1n1c h ARG 29 Ca 0.09 -0.08 0.12 0.00 -1.10 0.00 0.00 59.98 59.01 1n1c h ARG 29 Cb 0.01 -0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.42 1n1c h ARG 29 CO -0.05 0.47 0.33 1.25 2.80 0.00 0.00 179.97 184.77 1n1c h LEU 30 N 0.37 0.36 -1.32 3.80 5.85 -0.60 0.14 115.31 123.92 1n1c h LEU 30 Ca 0.11 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1n1c h LEU 30 Cb 0.17 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1n1c h LEU 30 CO -0.01 0.17 0.12 0.11 -0.34 0.00 0.00 178.44 178.50 1n1c h LYS 31 N 0.51 0.59 -0.20 1.25 6.56 -1.03 -1.83 116.57 122.43 1n1c h LYS 31 Ca 0.39 -0.09 -0.17 0.00 -1.06 0.00 0.00 60.65 59.72 1n1c h LYS 31 Cb 0.53 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1n1c h LYS 31 CO -0.35 0.52 -0.57 0.93 -2.06 0.00 0.00 179.45 177.93 1n1c h GLU 32 N 0.58 0.61 -0.00 3.15 5.08 -0.21 -2.79 114.58 121.01 1n1c h GLU 32 Ca 0.14 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1n1c h GLU 32 Cb 0.18 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1n1c h GLU 32 CO -0.01 1.01 -0.04 1.28 -1.00 0.00 0.00 179.01 180.25 1n1c n LEU 33 N -3.96 0.06 0.00 1.33 4.77 0.14 -3.79 117.00 115.54 1n1c n LEU 33 Ca -0.04 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1n1c n LEU 33 Cb 0.62 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1n1c n LEU 33 CO 0.48 0.01 0.42 0.35 -1.33 0.00 0.00 177.39 177.32 1n1c n THR 34 N -1.41 0.69 -1.27 -5.08 -2.24 -0.73 -4.69 114.28 99.55 1n1c n THR 34 Ca 0.09 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 1n1c n THR 34 Cb 0.31 0.68 0.17 0.00 -2.10 0.00 0.00 70.33 69.39 1n1c n THR 34 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n1c s SER 35 N -0.69 2.73 0.17 3.42 1.04 -1.06 -4.69 113.70 114.62 1n1c s SER 35 Ca 0.00 1.08 -0.14 0.00 0.48 0.00 0.00 55.95 57.37 1n1c s SER 35 Cb 0.00 -1.71 0.12 0.00 0.10 0.00 0.00 66.02 64.53 1n1c s SER 35 CO 0.00 -3.05 1.76 -0.08 0.98 0.00 0.00 173.24 172.85 1n1c h GLU 36 N -1.84 0.34 0.00 4.02 4.57 -1.93 0.29 114.58 120.03 1n1c h GLU 36 Ca -0.54 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 1n1c h GLU 36 Cb 1.33 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1n1c h GLU 36 CO 0.58 0.23 -0.07 0.00 -1.18 0.00 0.00 179.01 178.57 1n1c h ALA 37 N 1.28 1.49 0.02 2.92 0.00 -1.94 -1.92 119.26 121.11 1n1c h ALA 37 Ca 0.20 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 1n1c h ALA 37 Cb 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1n1c h ALA 37 CO -0.19 0.08 -1.56 0.00 0.00 0.00 0.00 179.25 177.58 1n1c h ALA 38 N 1.93 0.61 -0.42 0.00 0.00 -1.42 -3.21 119.26 116.76 1n1c h ALA 38 Ca -0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 54.91 53.56 1n1c h ALA 38 Cb 0.16 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n1c h ALA 38 CO 0.01 1.46 0.11 1.96 0.00 0.00 0.00 179.25 182.78 1n1c h GLN 39 N 0.01 0.68 -0.53 0.00 1.08 0.26 -1.19 115.11 115.41 1n1c h GLN 39 Ca -0.23 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1n1c h GLN 39 Cb 1.96 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 29.28 1n1c h GLN 39 CO 0.10 0.68 0.24 1.96 -0.95 0.00 0.00 178.83 180.87 1n1c h GLN 40 N 0.55 0.78 0.11 1.46 4.20 -1.54 -1.61 115.11 119.05 1n1c h GLN 40 Ca 0.13 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1n1c h GLN 40 Cb 0.31 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1n1c h GLN 40 CO 0.00 0.65 -0.32 0.35 -0.67 0.00 0.00 178.83 178.85 1n1c h PHE 41 N 0.72 -0.86 -0.99 2.96 3.57 -1.49 0.55 116.94 121.40 1n1c h PHE 41 Ca 0.18 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1n1c h PHE 41 Cb 0.14 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1n1c h PHE 41 CO -0.00 -0.42 0.63 -1.49 -2.23 0.00 0.00 178.31 174.80 1n1c h TRP 42 N -0.53 1.16 -0.25 0.41 4.06 -1.04 -0.32 115.95 119.43 1n1c h TRP 42 Ca 0.03 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 1n1c h TRP 42 Cb 0.57 -0.38 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1n1c h TRP 42 CO -0.29 0.57 0.13 1.49 -3.56 0.00 0.00 178.44 176.78 1n1c h GLU 43 N 1.11 0.36 -0.25 0.49 4.57 -0.52 -0.08 114.58 120.25 1n1c h GLU 43 Ca 0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1n1c h GLU 43 Cb 0.24 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1n1c h GLU 43 CO -0.19 0.34 0.16 0.37 -1.18 0.00 0.00 179.01 178.52 1n1c h GLN 44 N 0.28 0.33 -0.37 1.92 5.75 -0.05 -1.69 115.11 121.27 1n1c h GLN 44 Ca 0.09 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1n1c h GLN 44 Cb 0.09 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1n1c h GLN 44 CO -0.01 0.22 0.24 -0.07 -2.65 0.00 0.00 178.83 176.55 1n1c h LEU 45 N 0.33 0.43 -1.36 -2.39 3.38 -0.85 -1.98 115.31 112.88 1n1c h LEU 45 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n1c h LEU 45 Cb -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n1c h LEU 45 CO -0.02 0.33 -0.19 0.77 0.09 0.00 0.00 178.44 179.42 1n1c h SER 46 N 0.51 0.00 0.00 -0.43 4.64 -0.10 -2.95 113.55 115.22 1n1c h SER 46 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1n1c h SER 46 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1n1c h SER 46 CO -0.03 0.19 0.01 -0.07 -0.87 0.00 0.00 176.83 176.06 1n1c h LEU 47 N 0.00 0.00 -9.03 5.97 3.38 -0.86 -3.28 115.31 111.50 1n1c h LEU 47 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1n1c h LEU 47 Cb 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 1n1c h LEU 47 CO 0.02 0.00 0.52 -0.70 0.09 0.00 0.00 178.44 178.37 1n1c s GLU 48 N -4.12 4.17 0.34 1.13 -6.30 -1.11 -4.94 118.70 107.86 1n1c s GLU 48 Ca -0.05 0.96 0.14 0.00 -2.50 0.00 0.00 54.97 53.53 1n1c s GLU 48 Cb 0.13 -3.66 1.07 0.00 0.00 0.00 0.00 34.13 31.67 1n1c s GLU 48 CO 0.40 -0.56 1.66 0.00 0.02 0.00 0.00 175.26 176.78 1n1c h ALA 49 N 7.71 1.93 0.00 6.30 0.00 -1.90 0.25 119.26 133.55 1n1c h ALA 49 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n1c h ALA 49 Cb 1.09 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n1c h ALA 49 CO 0.89 -0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.67 1n1c n ASN 50 N -5.06 0.51 -0.03 0.00 5.03 -1.26 -3.61 115.26 110.85 1n1c n ASN 50 Ca 0.31 0.58 0.02 0.00 0.87 0.00 0.00 54.58 56.35 1n1c n ASN 50 Cb 0.97 -0.70 -0.11 0.00 -1.02 0.00 0.00 39.78 38.92 1n1c n ASN 50 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1n1c n PHE 51 N -2.01 0.00 -0.38 3.10 0.99 0.74 -4.79 117.46 115.11 1n1c n PHE 51 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.43 1n1c n PHE 51 Cb 0.33 -0.46 -0.05 0.00 -1.00 0.00 0.00 39.48 38.30 1n1c n PHE 51 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1n1c n THR 52 N -2.20 -0.58 -0.11 4.37 -1.04 -0.31 -0.47 114.28 113.95 1n1c n THR 52 Ca -0.10 2.21 -0.09 0.00 -2.04 0.00 0.00 64.05 64.02 1n1c n THR 52 Cb 0.60 -2.80 -0.02 0.00 -1.82 0.00 0.00 70.33 66.29 1n1c n THR 52 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1n1c h GLN 53 N 0.00 0.48 -0.55 -2.82 4.15 -1.87 -1.18 115.11 113.33 1n1c h GLN 53 Ca 0.21 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.45 1n1c h GLN 53 Cb 0.44 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1n1c h GLN 53 CO -0.89 0.44 -0.09 0.77 -1.93 0.00 0.00 178.83 177.14 1n1c h SER 54 N 0.40 1.04 -0.12 -0.69 0.02 -1.77 -2.24 113.55 110.19 1n1c h SER 54 Ca 0.11 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1n1c h SER 54 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1n1c h SER 54 CO -0.01 1.14 -0.16 0.58 -1.14 0.00 0.00 176.83 177.23 1n1c h VAL 55 N 0.92 1.24 -0.24 2.27 2.07 -0.62 -2.04 116.25 119.84 1n1c h VAL 55 Ca 0.14 -1.10 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 1n1c h VAL 55 Cb 0.66 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1n1c h VAL 55 CO 0.05 0.36 -0.50 0.44 0.02 0.00 0.00 177.57 177.93 1n1c h ASP 56 N 0.46 0.75 -0.12 0.57 3.32 -1.03 -1.51 116.42 118.86 1n1c h ASP 56 Ca 0.08 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1n1c h ASP 56 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1n1c h ASP 56 CO 0.04 1.12 0.05 0.50 -1.72 0.00 0.00 179.24 179.22 1n1c h LYS 57 N 0.53 0.18 -0.04 3.56 3.11 -1.20 -0.52 116.57 122.19 1n1c h LYS 57 Ca 0.02 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1n1c h LYS 57 Cb 1.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1n1c h LYS 57 CO 0.10 0.29 0.03 0.82 -2.81 0.00 0.00 179.45 177.88 1n1c h ILE 58 N 0.03 1.01 -0.19 2.00 2.04 -1.33 -1.95 117.51 119.12 1n1c h ILE 58 Ca 0.04 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 1n1c h ILE 58 Cb 0.18 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1n1c h ILE 58 CO -0.00 0.01 -0.44 -0.09 0.00 0.00 0.00 178.15 177.63 1n1c h ARG 59 N 0.05 0.46 -0.04 2.37 2.43 -1.27 -1.85 114.38 116.53 1n1c h ARG 59 Ca 0.01 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 58.76 1n1c h ARG 59 Cb -0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1n1c h ARG 59 CO -0.00 0.81 -0.78 0.66 -1.51 0.00 0.00 179.97 179.14 1n1c h SER 60 N 0.37 0.36 0.24 -3.80 4.64 -1.05 -1.54 113.55 112.78 1n1c h SER 60 Ca 0.03 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1n1c h SER 60 Cb 0.92 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1n1c h SER 60 CO 0.08 1.01 -0.12 0.74 -0.87 0.00 0.00 176.83 177.67 1n1c h THR 61 N 0.19 0.82 -0.77 2.95 2.02 -1.27 -1.99 112.91 114.85 1n1c h THR 61 Ca -0.04 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.57 1n1c h THR 61 Cb 1.37 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 1n1c h THR 61 CO 0.13 0.13 0.51 -0.07 0.37 0.00 0.00 175.52 176.58 1n1c h LEU 62 N -0.65 0.85 -0.82 2.58 3.38 -1.36 -1.12 115.31 118.17 1n1c h LEU 62 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n1c h LEU 62 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n1c h LEU 62 CO 0.05 0.60 0.00 0.78 0.09 0.00 0.00 178.44 179.97 1n1c h ASN 63 N 1.00 0.00 -0.01 -0.43 2.35 -1.23 -3.02 115.58 114.23 1n1c h ASN 63 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1n1c h ASN 63 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1n1c h ASN 63 CO -0.07 0.00 -0.00 0.61 -1.65 0.00 0.00 177.43 176.31 1n1c n GLY 64 N 0.36 -0.19 3.47 2.83 0.00 -0.43 -4.74 105.19 106.48 1n1c n GLY 64 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1n1c n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n1c s ILE 65 N -2.00 4.49 -0.14 -0.61 -1.09 -1.15 -4.81 121.20 115.88 1n1c s ILE 65 Ca 0.40 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.68 1n1c s ILE 65 Cb 0.21 -4.55 -0.13 0.00 -1.58 0.00 0.00 42.46 36.41 1n1c s ILE 65 CO 0.34 -1.20 0.26 0.29 -1.23 0.00 0.00 174.94 173.40 1n1c n LYS 66 N 7.24 1.44 -3.96 2.79 4.76 -1.26 -4.97 118.16 124.19 1n1c n LYS 66 Ca -0.03 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.14 1n1c n LYS 66 Cb 0.46 -1.13 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 1n1c n LYS 66 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1n1c n ASP 67 N -1.64 1.20 -0.17 4.39 3.85 -1.26 -5.06 116.55 117.87 1n1c n ASP 67 Ca -0.01 -2.77 -0.10 0.00 -0.71 0.00 0.00 54.79 51.20 1n1c n ASP 67 Cb 0.21 0.83 0.01 0.00 -1.35 0.00 0.00 41.12 40.83 1n1c n ASP 67 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1n1c h ASP 68 N 1.32 1.02 -0.21 -1.12 5.19 -2.00 -2.96 116.42 117.66 1n1c h ASP 68 Ca -0.26 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 55.75 1n1c h ASP 68 Cb 0.99 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 1n1c h ASP 68 CO 0.41 1.16 0.03 -0.08 -3.12 0.00 0.00 179.24 177.64 1n1c h GLU 69 N 0.88 0.46 -0.28 3.56 4.57 -1.98 0.10 114.58 121.89 1n1c h GLU 69 Ca 0.13 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1n1c h GLU 69 Cb 0.73 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1n1c h GLU 69 CO 0.06 0.47 -0.15 0.00 -1.18 0.00 0.00 179.01 178.21 1n1c h ALA 70 N 1.59 0.40 -0.33 2.92 0.00 -1.93 -1.73 119.26 120.18 1n1c h ALA 70 Ca 0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1n1c h ALA 70 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n1c h ALA 70 CO 0.00 0.30 -0.36 1.25 0.00 0.00 0.00 179.25 180.44 1n1c h LEU 71 N 0.34 0.79 -0.94 0.00 5.85 -1.33 -2.93 115.31 117.09 1n1c h LEU 71 Ca 0.06 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1n1c h LEU 71 Cb 0.68 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1n1c h LEU 71 CO 0.04 1.07 -0.17 0.25 -0.34 0.00 0.00 178.44 179.30 1n1c h LEU 72 N 0.62 0.57 -0.19 2.25 5.85 -0.91 -2.48 115.31 121.02 1n1c h LEU 72 Ca 0.06 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1n1c h LEU 72 Cb 0.90 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1n1c h LEU 72 CO 0.08 0.76 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.51 1n1c h GLU 73 N 0.53 0.41 -0.71 1.25 5.08 -1.23 -0.78 114.58 119.14 1n1c h GLU 73 Ca 0.09 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1n1c h GLU 73 Cb 0.59 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1n1c h GLU 73 CO 0.04 0.71 0.39 1.25 -1.00 0.00 0.00 179.01 180.40 1n1c h LEU 74 N 0.10 0.56 -0.96 1.33 5.85 -1.45 0.11 115.31 120.86 1n1c h LEU 74 Ca 0.04 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1n1c h LEU 74 Cb 0.59 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1n1c h LEU 74 CO 0.03 0.35 0.37 0.00 -0.34 0.00 0.00 178.44 178.85 1n1c h ALA 75 N 1.38 1.18 -0.61 1.25 0.00 -1.30 -1.12 119.26 120.04 1n1c h ALA 75 Ca 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n1c h ALA 75 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n1c h ALA 75 CO -0.21 0.62 0.37 0.00 0.00 0.00 0.00 179.25 180.04 1n1c h ALA 76 N 1.30 1.51 -0.45 0.00 0.00 0.50 0.68 119.26 122.79 1n1c h ALA 76 Ca 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1n1c h ALA 76 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1n1c h ALA 76 CO -0.03 0.43 0.12 -0.44 0.00 0.00 0.00 179.25 179.33 1n1c h ASP 77 N 0.84 0.67 0.18 0.00 3.45 -0.01 0.28 116.42 121.83 1n1c h ASP 77 Ca 0.22 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1n1c h ASP 77 Cb -0.04 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1n1c h ASP 77 CO -0.04 0.73 -0.10 0.22 -1.57 0.00 0.00 179.24 178.48 1n1c h TYR 78 N 0.59 -0.25 -0.51 4.55 3.20 -0.10 -0.36 116.97 124.10 1n1c h TYR 78 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1n1c h TYR 78 Cb 0.31 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1n1c h TYR 78 CO 0.02 -0.15 0.10 0.00 -1.64 0.00 0.00 178.16 176.48 1n1c h GLY 80 N 0.71 0.00 0.50 0.00 0.00 -0.34 -1.86 103.07 102.08 1n1c h GLY 80 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.12 1n1c h GLY 80 CO 0.01 0.00 -2.03 1.04 0.00 0.00 0.00 176.54 175.55 1n1c n LEU 81 N -3.97 2.65 -0.00 3.11 4.77 -0.15 -4.51 117.00 118.89 1n1c n LEU 81 Ca -0.02 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1n1c n LEU 81 Cb 0.32 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1n1c n LEU 81 CO 0.35 0.84 -0.35 0.49 -1.33 0.00 0.00 177.39 177.40 1n1c n PHE 82 N -3.50 0.00 -1.03 -1.77 3.72 0.55 -0.73 117.46 114.69 1n1c n PHE 82 Ca -0.34 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.09 1n1c n PHE 82 Cb 1.02 -0.12 0.30 0.00 -0.94 0.00 0.00 39.48 39.75 1n1c n PHE 82 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1n1c n LEU 83 N -1.55 4.93 0.00 4.37 4.77 -0.70 -4.63 117.00 124.19 1n1c n LEU 83 Ca -0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 1n1c n LEU 83 Cb 0.20 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1n1c n LEU 83 CO 0.19 0.75 -0.32 1.33 -1.33 0.00 0.00 177.39 178.02 1n1c n VAL 84 N -0.22 0.00 -1.70 4.08 0.24 -1.25 -4.74 118.33 114.74 1n1c n VAL 84 Ca 0.29 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.58 1n1c n VAL 84 Cb 1.11 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1n1c n VAL 84 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n1c n GLY 85 N 2.61 -0.01 0.00 7.63 0.00 -1.26 -5.06 105.19 109.11 1n1c n GLY 85 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1n1c n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n1c n SER 89 N -1.33 0.00 -3.03 1.61 2.88 -1.26 -4.96 113.62 107.53 1n1c n SER 89 Ca -0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1n1c n SER 89 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1n1c n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n1c n ALA 90 N 1.26 0.73 -1.69 -1.46 0.00 0.09 -5.06 120.51 114.38 1n1c n ALA 90 Ca 0.00 -2.42 -0.44 0.00 0.00 0.00 0.00 53.44 50.58 1n1c n ALA 90 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1n1c n ALA 90 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n1c n SER 91 N 1.89 3.68 -1.53 0.00 7.64 -1.25 -4.56 113.62 119.49 1n1c n SER 91 Ca 0.18 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1n1c n SER 91 Cb 0.56 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1n1c n SER 91 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1n1c n PRO 92 N 5.05 0.56 -3.87 1.43 -0.04 -1.26 -4.82 135.00 132.04 1n1c n PRO 92 Ca 0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 1n1c n PRO 92 Cb 0.33 -1.22 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1n1c n PRO 92 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1n1c s TYR 93 N 0.77 3.07 0.28 0.54 1.51 -1.26 -5.00 117.35 117.26 1n1c s TYR 93 Ca 0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1n1c s TYR 93 Cb 0.00 -2.17 0.64 0.00 -0.11 0.00 0.00 41.96 40.32 1n1c s TYR 93 CO 0.00 -0.32 1.61 0.00 -1.11 0.00 0.00 175.55 175.73 1n1c h ALA 94 N 7.93 1.06 -0.03 3.71 0.00 -2.02 -0.84 119.26 129.07 1n1c h ALA 94 Ca -0.38 0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1n1c h ALA 94 Cb 1.17 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1n1c h ALA 94 CO 0.60 -0.50 0.05 0.66 0.00 0.00 0.00 179.25 180.05 1n1c h SER 95 N 0.08 0.00 0.63 0.00 4.64 -1.94 -1.25 113.55 115.70 1n1c h SER 95 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1n1c h SER 95 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1n1c h SER 95 CO -0.79 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.35 1n1c n LEU 96 N -3.59 0.00 0.00 5.97 4.32 -0.32 -3.81 117.00 119.57 1n1c n LEU 96 Ca -0.02 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 1n1c n LEU 96 Cb 0.13 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1n1c n LEU 96 CO 0.25 -0.04 -0.39 -1.22 -1.22 0.00 0.00 177.39 174.76 1n1c n TYR 97 N -1.36 0.00 0.00 -1.77 4.02 -0.63 -5.10 117.16 112.33 1n1c n TYR 97 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1n1c n TYR 97 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1n1c n TYR 97 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n1c n LEU 98 N -1.29 0.00 0.02 7.72 4.32 -0.57 -5.15 117.00 122.04 1n1c n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1n1c n LEU 98 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1n1c n LEU 98 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1n1c n GLY 108 N 5.00 -0.91 0.18 -0.72 0.00 -1.26 -4.99 105.19 102.49 1n1c n GLY 108 Ca 0.00 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1n1c n GLY 108 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1n1c h GLU 109 N 0.00 0.00 -0.64 1.61 -0.00 -2.07 -3.18 114.58 110.30 1n1c h GLU 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1n1c h GLU 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1n1c h GLU 109 CO 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 179.01 179.06 1n1c n GLN 110 N -2.99 1.91 -0.07 1.06 10.64 -1.26 -2.59 117.38 124.08 1n1c n GLN 110 Ca 0.02 -0.87 -0.03 0.00 -1.83 0.00 0.00 57.00 54.29 1n1c n GLN 110 Cb 0.56 -1.53 -0.16 0.00 -0.86 0.00 0.00 30.24 28.26 1n1c n GLN 110 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1n1c n HIS 111 N 0.16 0.04 0.06 2.61 8.25 -1.20 -4.17 115.22 120.98 1n1c n HIS 111 Ca 0.08 0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.34 1n1c n HIS 111 Cb 0.40 -0.85 -0.12 0.00 1.12 0.00 0.00 29.99 30.55 1n1c n HIS 111 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1n1c h GLN 112 N 0.00 0.64 -0.48 -0.41 7.50 -1.68 0.10 115.11 120.78 1n1c h GLN 112 Ca -0.36 -0.76 0.00 0.00 0.50 0.00 0.00 58.65 58.03 1n1c h GLN 112 Cb 1.84 0.23 0.00 0.00 0.05 0.00 0.00 27.48 29.60 1n1c h GLN 112 CO 0.02 1.33 0.00 1.04 -1.50 0.00 0.00 178.83 179.72 1n1c n GLN 113 N -3.87 0.00 0.00 1.46 6.02 -1.20 -1.38 117.38 118.40 1n1c n GLN 113 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1n1c n GLN 113 Cb 0.90 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 31.05 1n1c n GLN 113 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1n1c n SER 115 N 0.62 0.00 -0.23 1.08 3.41 0.36 -2.29 113.62 116.57 1n1c n SER 115 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1n1c n SER 115 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1n1c n SER 115 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1n1c h GLU 116 N 0.00 0.91 -0.71 4.33 4.57 -1.50 -1.24 114.58 120.94 1n1c h GLU 116 Ca 0.00 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1n1c h GLU 116 Cb 0.00 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 1n1c h GLU 116 CO 0.00 0.73 0.42 0.35 -1.18 0.00 0.00 179.01 179.33 1n1c h PHE 117 N 0.87 0.78 -0.03 0.92 3.57 -1.71 0.12 116.94 121.47 1n1c h PHE 117 Ca 0.22 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1n1c h PHE 117 Cb 0.12 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1n1c h PHE 117 CO 0.00 0.41 0.02 -0.07 -2.23 0.00 0.00 178.31 176.44 1n1c h LEU 118 N 0.80 0.03 -0.89 0.59 3.38 -1.72 0.18 115.31 117.68 1n1c h LEU 118 Ca 0.30 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.26 1n1c h LEU 118 Cb 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1n1c h LEU 118 CO -0.15 0.06 0.59 -0.74 0.09 0.00 0.00 178.44 178.28 1n1c h HIS 119 N 0.01 1.11 0.08 1.13 2.76 -0.74 -3.08 115.15 116.41 1n1c h HIS 119 Ca 0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1n1c h HIS 119 Cb 0.03 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.62 1n1c h HIS 119 CO -0.07 0.68 -0.04 0.37 -1.30 0.00 0.00 177.93 177.58 1n1c h GLN 120 N 1.18 -0.10 -0.18 5.26 5.75 -0.45 -3.33 115.11 123.25 1n1c h GLN 120 Ca 0.34 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.89 1n1c h GLN 120 Cb -0.10 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1n1c h GLN 120 CO -0.08 0.40 0.14 0.66 -2.65 0.00 0.00 178.83 177.30 1n1c h SER 121 N -0.67 0.00 -0.87 -0.69 4.64 -0.65 -3.45 113.55 111.85 1n1c h SER 121 Ca -0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1n1c h SER 121 Cb 0.55 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.51 1n1c h SER 121 CO 0.02 0.00 -0.31 2.29 -0.87 0.00 0.00 176.83 177.95 1n1c n LYS 122 N -4.33 -1.16 -3.28 4.77 0.00 -1.17 -4.94 118.16 108.06 1n1c n LYS 122 Ca 0.01 1.07 -0.43 0.00 -0.00 0.00 0.00 58.31 58.96 1n1c n LYS 122 Cb 0.27 -5.28 -0.08 0.00 -0.00 0.00 0.00 35.03 29.94 1n1c n LYS 122 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1n1c s LEU 123 N -3.82 4.70 -0.00 -5.58 1.98 -1.26 -5.06 118.68 109.64 1n1c s LEU 123 Ca 0.00 -0.50 0.08 0.00 -2.89 0.00 0.00 54.13 50.81 1n1c s LEU 123 Cb 0.00 -2.47 -0.02 0.00 0.66 0.00 0.00 46.19 44.36 1n1c s LEU 123 CO 0.00 -0.59 -0.23 0.00 -1.89 0.00 0.00 176.35 173.64 1n1c s GLN 124 N 2.28 1.81 0.60 1.98 -2.07 -1.26 -4.99 119.66 118.02 1n1c s GLN 124 Ca 0.15 -0.89 -0.10 0.00 -1.82 0.00 0.00 55.36 52.70 1n1c s GLN 124 Cb -0.16 -1.81 -0.04 0.00 -1.09 0.00 0.00 33.01 29.91 1n1c s GLN 124 CO 0.14 0.49 1.00 0.14 -1.32 0.00 0.00 175.29 175.74 1n1c s VAL 125 N -0.62 4.71 0.24 3.63 -7.23 -1.26 -4.98 120.40 114.90 1n1c s VAL 125 Ca 0.09 0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 60.75 1n1c s VAL 125 Cb -0.09 -3.86 -0.09 0.00 0.56 0.00 0.00 36.38 32.89 1n1c s VAL 125 CO -0.00 -1.10 1.29 -1.58 -0.31 0.00 0.00 175.10 173.39 1n1c s GLN 126 N -5.13 4.41 -0.13 4.82 0.74 0.48 -5.00 119.66 119.85 1n1c s GLN 126 Ca 0.54 2.07 -0.22 0.00 0.05 0.00 0.00 55.36 57.81 1n1c s GLN 126 Cb -0.11 -3.16 0.05 0.00 1.10 0.00 0.00 33.01 30.89 1n1c s GLN 126 CO 0.53 -0.19 0.55 0.45 -0.55 0.00 0.00 175.29 176.08 1n1c s SER 127 N 0.01 -0.53 0.00 6.67 0.15 -1.26 -4.92 113.70 113.82 1n1c s SER 127 Ca 0.54 0.83 0.25 0.00 0.70 0.00 0.00 55.95 58.27 1n1c s SER 127 Cb -0.37 0.83 0.45 0.00 -1.71 0.00 0.00 66.02 65.23 1n1c s SER 127 CO 0.42 -0.35 1.41 1.41 1.20 0.00 0.00 173.24 177.32 1n1c n HIS 128 N 1.99 0.00 -2.24 3.44 8.25 -1.26 -4.93 115.22 120.47 1n1c n HIS 128 Ca -0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 1n1c n HIS 128 Cb 0.56 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 1n1c n HIS 128 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1n1c s PHE 129 N -2.02 3.17 0.62 4.41 2.99 -1.26 -4.99 117.98 120.91 1n1c s PHE 129 Ca 0.31 1.52 -0.17 0.00 0.00 0.00 0.00 56.93 58.58 1n1c s PHE 129 Cb 0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 43.02 39.69 1n1c s PHE 129 CO 0.32 -1.42 1.16 -1.25 -0.00 0.00 0.00 175.22 174.02 1n1c s PRO 130 N -1.85 2.88 0.15 0.24 0.04 -1.26 -4.94 135.00 130.26 1n1c s PRO 130 Ca 0.50 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 1n1c s PRO 130 Cb -0.36 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1n1c s PRO 130 CO 0.46 -1.23 1.49 -2.00 0.04 0.00 0.00 177.00 175.76 1n1c s GLU 131 N -3.65 4.26 0.28 4.56 2.56 -1.26 -4.92 118.70 120.54 1n1c s GLU 131 Ca 0.72 2.24 0.02 0.00 0.00 0.00 0.00 54.97 57.95 1n1c s GLU 131 Cb -0.25 -3.19 0.61 0.00 2.00 0.00 0.00 34.13 33.29 1n1c s GLU 131 CO 0.36 -0.53 1.78 -1.35 -0.56 0.00 0.00 175.26 174.96 1n1c h PRO 132 N 6.75 0.72 0.00 4.30 0.11 -2.00 0.20 132.00 142.08 1n1c h PRO 132 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n1c h PRO 132 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1n1c h PRO 132 CO 0.89 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 179.16 1n1c n ALA 133 N -2.38 2.20 1.04 -0.75 0.00 -1.26 -2.07 120.51 117.29 1n1c n ALA 133 Ca 0.20 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1n1c n ALA 133 Cb 0.47 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 18.98 1n1c n ALA 133 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n1c n ASP 134 N -0.81 2.53 -4.71 0.00 9.92 0.69 -4.89 116.55 119.28 1n1c n ASP 134 Ca 0.09 -1.83 -0.42 0.00 -0.53 0.00 0.00 54.79 52.10 1n1c n ASP 134 Cb 0.04 -0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 1n1c n ASP 134 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1n1c s HIS 135 N -1.88 3.63 0.27 1.24 2.46 -0.88 -4.95 115.29 115.18 1n1c s HIS 135 Ca 0.33 1.67 0.01 0.00 0.47 0.00 0.00 55.06 57.54 1n1c s HIS 135 Cb 0.20 -3.14 0.63 0.00 -0.13 0.00 0.00 32.58 30.14 1n1c s HIS 135 CO 0.31 -0.07 1.70 1.25 -2.47 0.00 0.00 174.74 175.46 1n1c h LEU 136 N 7.05 0.28 -0.73 8.88 6.46 -1.90 0.86 115.31 136.20 1n1c h LEU 136 Ca -0.39 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 57.60 1n1c h LEU 136 Cb 1.20 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 1n1c h LEU 136 CO 0.77 0.03 0.39 0.00 -0.62 0.00 0.00 178.44 179.01 1n1c h ALA 137 N 1.66 1.01 0.00 1.25 0.00 -1.96 0.03 119.26 121.26 1n1c h ALA 137 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1n1c h ALA 137 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n1c h ALA 137 CO -0.50 0.02 0.00 0.28 0.00 0.00 0.00 179.25 179.06 1n1c n VAL 138 N -4.81 0.19 0.00 0.00 0.31 0.29 -1.09 118.33 113.23 1n1c n VAL 138 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1n1c n VAL 138 Cb 0.25 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1n1c n VAL 138 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1n1c n LEU 140 N 0.57 0.00 -0.15 7.52 4.77 -0.00 -0.53 117.00 129.17 1n1c n LEU 140 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1n1c n LEU 140 Cb 0.14 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 1n1c n LEU 140 CO 0.00 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.12 1n1c h ALA 141 N 0.00 1.29 0.00 -1.18 0.00 -1.34 -0.61 119.26 117.42 1n1c h ALA 141 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n1c h ALA 141 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1n1c h ALA 141 CO 0.00 0.53 0.00 0.98 0.00 0.00 0.00 179.25 180.76 1n1c n TYR 142 N -4.32 0.00 0.00 0.00 9.36 0.31 -2.31 117.16 120.21 1n1c n TYR 142 Ca 0.05 -0.34 0.00 0.00 3.32 0.00 0.00 57.90 60.93 1n1c n TYR 142 Cb 0.17 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.66 1n1c n TYR 142 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1n1c n ALA 144 N 0.86 0.00 -0.10 2.98 0.00 -0.24 -0.46 120.51 123.56 1n1c n ALA 144 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1n1c n ALA 144 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 1n1c n ALA 144 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1n1c h HIS 145 N 0.00 1.09 -0.49 0.00 6.17 -1.72 -3.13 115.15 117.06 1n1c h HIS 145 Ca 0.00 -0.36 -0.05 0.00 0.71 0.00 0.00 60.37 60.67 1n1c h HIS 145 Cb 0.00 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.69 1n1c h HIS 145 CO 0.00 1.19 0.10 -0.07 0.71 0.00 0.00 177.93 179.85 1n1c h LEU 146 N 0.68 0.71 -0.86 0.26 3.38 -1.07 -2.24 115.31 116.18 1n1c h LEU 146 Ca 0.03 -0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1n1c h LEU 146 Cb 1.06 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 1n1c h LEU 146 CO 0.11 0.72 0.37 0.00 0.09 0.00 0.00 178.44 179.73 1n1c n HIS 149 N 0.31 0.00 -3.97 0.00 8.25 -0.85 -5.08 115.22 113.88 1n1c n HIS 149 Ca 0.08 -0.46 -0.09 0.00 -0.26 0.00 0.00 57.72 56.99 1n1c n HIS 149 Cb 0.38 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.36 1n1c n HIS 149 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n1c s SER 150 N -1.13 0.12 0.69 0.41 1.04 -0.64 -4.96 113.70 109.22 1n1c s SER 150 Ca 0.06 -0.88 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 1n1c s SER 150 Cb 0.05 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1n1c s SER 150 CO 0.01 -0.82 1.12 -1.61 0.98 0.00 0.00 173.24 172.92 1n1c s GLU 151 N -3.95 2.62 0.38 4.02 0.41 -1.26 -4.84 118.70 116.07 1n1c s GLU 151 Ca 0.15 1.39 0.08 0.00 -0.41 0.00 0.00 54.97 56.18 1n1c s GLU 151 Cb 0.05 -1.93 0.81 0.00 -1.78 0.00 0.00 34.13 31.27 1n1c s GLU 151 CO -0.03 -1.39 1.96 -0.91 -0.49 0.00 0.00 175.26 174.40 1n1c h ASN 152 N -0.22 0.60 -0.90 -0.19 2.35 -1.96 -1.12 115.58 114.15 1n1c h ASN 152 Ca -0.46 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1n1c h ASN 152 Cb 1.25 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 1n1c h ASN 152 CO 0.53 0.38 0.54 0.77 -1.65 0.00 0.00 177.43 177.99 1n1c h SER 153 N 0.68 1.10 -0.35 5.81 4.64 -1.92 0.15 113.55 123.64 1n1c h SER 153 Ca 0.32 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1n1c h SER 153 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1n1c h SER 153 CO -0.11 0.85 -0.13 0.58 -0.87 0.00 0.00 176.83 177.15 1n1c h VAL 154 N 1.25 1.28 0.10 0.95 2.07 -1.59 -1.09 116.25 119.24 1n1c h VAL 154 Ca 0.32 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1n1c h VAL 154 Cb -0.04 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1n1c h VAL 154 CO -0.06 0.40 -0.05 1.56 0.02 0.00 0.00 177.57 179.44 1n1c h GLN 155 N 0.50 -0.13 0.03 1.57 4.20 -0.73 -1.60 115.11 118.95 1n1c h GLN 155 Ca 0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1n1c h GLN 155 Cb 0.66 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1n1c h GLN 155 CO 0.04 -0.06 -0.06 1.25 -0.67 0.00 0.00 178.83 179.34 1n1c h LEU 156 N -0.17 -0.16 -0.60 1.46 5.85 -0.72 -1.76 115.31 119.20 1n1c h LEU 156 Ca -0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1n1c h LEU 156 Cb 0.14 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1n1c h LEU 156 CO 0.02 -0.09 0.15 -1.28 -0.34 0.00 0.00 178.44 176.90 1n1c h SER 157 N -0.12 0.06 -0.81 1.25 0.87 -1.14 -0.96 113.55 112.70 1n1c h SER 157 Ca 0.01 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1n1c h SER 157 Cb 0.13 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1n1c h SER 157 CO -0.04 0.04 0.35 0.15 -0.53 0.00 0.00 176.83 176.80 1n1c h PHE 158 N 0.29 1.21 -0.33 2.24 3.04 -0.96 0.54 116.94 122.98 1n1c h PHE 158 Ca 0.31 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 1n1c h PHE 158 Cb 0.45 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1n1c h PHE 158 CO -0.23 0.90 0.04 -0.07 -2.02 0.00 0.00 178.31 176.94 1n1c h LEU 159 N 1.17 0.53 -0.33 0.59 3.38 -0.42 -0.21 115.31 120.02 1n1c h LEU 159 Ca 0.27 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1n1c h LEU 159 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1n1c h LEU 159 CO -0.03 0.67 -0.09 1.56 0.09 0.00 0.00 178.44 180.64 1n1c h GLN 160 N 0.38 0.64 0.04 1.13 4.20 -1.06 0.42 115.11 120.86 1n1c h GLN 160 Ca 0.10 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1n1c h GLN 160 Cb 0.37 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1n1c h GLN 160 CO 0.01 0.82 -0.02 1.15 -0.67 0.00 0.00 178.83 180.12 1n1c h THR 161 N 0.42 1.36 0.00 -0.54 2.02 -0.88 -3.26 112.91 112.04 1n1c h THR 161 Ca 0.08 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1n1c h THR 161 Cb 0.59 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1n1c h THR 161 CO 0.03 0.40 -1.82 0.00 0.37 0.00 0.00 175.52 174.50 1n1c n VAL 163 N -2.15 0.45 0.25 0.00 0.31 -0.94 -4.69 118.33 111.57 1n1c n VAL 163 Ca -0.03 0.24 0.15 0.00 -0.01 0.00 0.00 64.34 64.69 1n1c n VAL 163 Cb 0.53 -1.46 0.78 0.00 -0.91 0.00 0.00 33.84 32.79 1n1c n VAL 163 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1n1c h ASN 164 N -0.15 0.00 1.10 4.52 -1.24 -0.38 -2.02 115.58 117.42 1n1c h ASN 164 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1n1c h ASN 164 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1n1c h ASN 164 CO 0.00 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 174.60 1n1c n SER 165 N -2.60 0.63 0.00 1.15 3.41 -1.23 -4.29 113.62 110.68 1n1c n SER 165 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1n1c n SER 165 Cb 0.18 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1n1c n SER 165 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1n1c n TRP 166 N -2.12 0.00 -0.16 7.33 4.27 -0.79 -4.90 117.44 121.06 1n1c n TRP 166 Ca 0.04 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.63 1n1c n TRP 166 Cb 0.33 0.00 0.07 0.00 -1.36 0.00 0.00 31.31 30.35 1n1c n TRP 166 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1n1c h LEU 167 N 0.00 0.12 -0.76 5.67 3.38 -1.66 -1.99 115.31 120.07 1n1c h LEU 167 Ca 0.00 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1n1c h LEU 167 Cb 0.03 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 1n1c h LEU 167 CO 0.00 0.09 0.20 0.00 0.09 0.00 0.00 178.44 178.82 1n1c h ALA 168 N 1.36 1.01 -0.02 1.53 0.00 -1.88 0.52 119.26 121.78 1n1c h ALA 168 Ca 0.25 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1n1c h ALA 168 Cb 0.30 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n1c h ALA 168 CO -0.28 -0.34 0.01 0.87 0.00 0.00 0.00 179.25 179.51 1n1c h LYS 169 N 0.28 0.04 -0.26 0.00 1.57 -1.74 0.61 116.57 117.07 1n1c h LYS 169 Ca 0.44 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1n1c h LYS 169 Cb 0.76 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 1n1c h LYS 169 CO -0.52 0.21 -0.09 0.35 -0.57 0.00 0.00 179.45 178.83 1n1c h PHE 170 N -0.15 -0.19 -0.33 -1.35 -0.00 -0.67 -0.61 116.94 113.64 1n1c h PHE 170 Ca 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 57.97 58.05 1n1c h PHE 170 Cb 0.19 0.12 -0.04 0.00 -0.00 0.00 0.00 35.95 36.22 1n1c h PHE 170 CO -0.01 -0.14 0.08 0.82 -0.00 0.00 0.00 178.31 179.06 1n1c h ILE 171 N -0.03 0.85 -0.33 1.41 2.04 0.18 0.65 117.51 122.29 1n1c h ILE 171 Ca 0.13 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1n1c h ILE 171 Cb 0.23 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1n1c h ILE 171 CO -0.28 0.04 0.01 -1.13 0.00 0.00 0.00 178.15 176.78 1n1c h ASN 172 N 0.20 -0.11 0.88 1.72 -0.73 -0.09 -0.69 115.58 116.75 1n1c h ASN 172 Ca 0.15 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.35 1n1c h ASN 172 Cb 0.16 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1n1c h ASN 172 CO -0.19 -0.02 -0.20 -0.74 -0.37 0.00 0.00 177.43 175.90 1n1c h HIS 173 N 0.10 0.00 -0.02 0.67 2.76 -0.75 -2.66 115.15 115.26 1n1c h HIS 173 Ca 0.16 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.18 1n1c h HIS 173 Cb 0.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1n1c h HIS 173 CO -0.23 0.20 -0.66 1.25 -1.30 0.00 0.00 177.93 177.20 1n1c h LEU 174 N 0.00 0.09 0.00 0.26 5.85 0.27 -2.82 115.31 118.96 1n1c h LEU 174 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1n1c h LEU 174 Cb 0.70 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1n1c h LEU 174 CO 0.03 0.72 0.00 0.35 -0.34 0.00 0.00 178.44 179.20 1n1c n THR 175 N -3.78 0.15 0.40 1.05 -2.24 -0.38 -1.39 114.28 108.08 1n1c n THR 175 Ca -0.02 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1n1c n THR 175 Cb 0.65 -0.64 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 1n1c n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n1c n GLN 176 N -1.17 0.74 0.00 -0.78 6.02 -1.07 -4.60 117.38 116.52 1n1c n GLN 176 Ca 0.14 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 1n1c n GLN 176 Cb 0.15 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1n1c n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n1c s ASN 178 N -2.08 6.41 0.10 0.00 2.47 -0.49 -4.91 114.94 116.44 1n1c s ASN 178 Ca 0.00 -2.07 -0.19 0.00 0.42 0.00 0.00 52.86 51.02 1n1c s ASN 178 Cb 0.00 -2.23 -0.08 0.00 -1.45 0.00 0.00 41.25 37.49 1n1c s ASN 178 CO 0.00 -0.80 1.62 0.07 -3.72 0.00 0.00 177.10 174.27 1n1c h LYS 179 N 8.54 0.35 -0.37 0.43 2.10 -1.92 -3.09 116.57 122.61 1n1c h LYS 179 Ca -0.14 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.43 1n1c h LYS 179 Cb 1.07 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1n1c h LYS 179 CO 0.95 0.42 0.19 -0.91 -2.00 0.00 0.00 179.45 178.10 1n1c h ASN 180 N 0.22 0.47 0.00 7.07 4.21 -2.00 -3.47 115.58 122.08 1n1c h ASN 180 Ca 0.08 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1n1c h ASN 180 Cb 0.20 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1n1c h ASN 180 CO -0.00 0.45 0.00 0.61 -1.29 0.00 0.00 177.43 177.19 1n1c n GLY 181 N -0.92 0.63 0.23 2.83 0.00 -1.17 -4.99 105.19 101.80 1n1c n GLY 181 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1n1c n GLY 181 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n1c h PHE 182 N 0.00 -0.47 0.00 1.61 3.57 -1.92 -1.79 116.94 117.94 1n1c h PHE 182 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1n1c h PHE 182 Cb 0.00 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1n1c h PHE 182 CO 0.00 -0.22 -0.14 1.88 -2.23 0.00 0.00 178.31 177.60 1n1c h TYR 183 N -0.63 0.00 -0.16 0.41 0.05 -1.96 -1.12 116.97 113.55 1n1c h TYR 183 Ca -0.05 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.57 1n1c h TYR 183 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1n1c h TYR 183 CO -0.02 0.14 -0.56 0.77 -1.05 0.00 0.00 178.16 177.44 1n1c h SER 184 N 0.00 0.56 -0.28 3.88 0.02 -1.85 -1.70 113.55 114.18 1n1c h SER 184 Ca -0.00 -0.30 -0.18 0.00 -0.84 0.00 0.00 61.79 60.47 1n1c h SER 184 Cb 0.65 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1n1c h SER 184 CO 0.02 1.00 -0.51 0.00 -1.14 0.00 0.00 176.83 176.20 1n1c h ALA 185 N 1.01 0.52 -0.27 3.77 0.00 -0.62 -0.97 119.26 122.70 1n1c h ALA 185 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n1c h ALA 185 Cb 1.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1n1c h ALA 185 CO 0.10 0.68 0.16 0.28 0.00 0.00 0.00 179.25 180.47 1n1c h VAL 186 N 0.67 1.10 -0.54 0.00 2.07 -1.07 -0.26 116.25 118.22 1n1c h VAL 186 Ca 0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1n1c h VAL 186 Cb 1.11 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1n1c h VAL 186 CO 0.11 0.10 0.34 0.00 0.02 0.00 0.00 177.57 178.15 1n1c h ALA 187 N 1.05 0.69 -0.58 1.67 0.00 -1.24 0.38 119.26 121.23 1n1c h ALA 187 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n1c h ALA 187 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1n1c h ALA 187 CO -0.02 0.08 0.37 1.15 0.00 0.00 0.00 179.25 180.83 1n1c h THR 188 N 0.69 1.10 -0.53 0.00 2.02 -0.84 -1.02 112.91 114.34 1n1c h THR 188 Ca 0.21 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1n1c h THR 188 Cb -0.03 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1n1c h THR 188 CO -0.07 0.13 0.02 0.25 0.37 0.00 0.00 175.52 176.22 1n1c h LEU 189 N 0.74 0.90 -0.41 2.58 5.85 -0.73 -1.72 115.31 122.51 1n1c h LEU 189 Ca 0.22 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1n1c h LEU 189 Cb -0.03 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1n1c h LEU 189 CO -0.08 0.98 0.20 0.74 -0.34 0.00 0.00 178.44 179.94 1n1c h THR 190 N 0.79 0.96 -0.33 1.05 2.02 -0.32 0.51 112.91 117.59 1n1c h THR 190 Ca 0.15 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1n1c h THR 190 Cb 0.51 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1n1c h THR 190 CO 0.02 0.07 0.09 0.25 0.37 0.00 0.00 175.52 176.32 1n1c h LEU 191 N 0.40 0.49 -0.73 2.58 6.46 -1.09 0.13 115.31 123.54 1n1c h LEU 191 Ca 0.18 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1n1c h LEU 191 Cb 0.10 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1n1c h LEU 191 CO -0.13 0.59 0.46 0.00 -0.62 0.00 0.00 178.44 178.74 1n1c h ALA 192 N 0.92 0.92 -0.44 1.25 0.00 -0.93 0.17 119.26 121.16 1n1c h ALA 192 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1n1c h ALA 192 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n1c h ALA 192 CO -0.00 0.37 0.17 2.35 0.00 0.00 0.00 179.25 182.14 1n1c h TRP 193 N 0.99 0.67 -0.61 0.00 2.91 0.27 -1.90 115.95 118.28 1n1c h TRP 193 Ca 0.26 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 1n1c h TRP 193 Cb -0.08 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.35 1n1c h TRP 193 CO -0.02 0.59 0.35 0.28 -1.03 0.00 0.00 178.44 178.61 1n1c h VAL 194 N 0.56 1.19 -0.21 2.65 2.07 -0.07 -0.27 116.25 122.17 1n1c h VAL 194 Ca 0.15 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n1c h VAL 194 Cb 0.21 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1n1c h VAL 194 CO -0.01 0.20 0.11 0.11 0.02 0.00 0.00 177.57 178.00 1n1c h LYS 195 N 0.82 0.30 -0.60 1.57 1.79 -0.51 0.92 116.57 120.87 1n1c h LYS 195 Ca 0.22 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1n1c h LYS 195 Cb 0.01 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1n1c h LYS 195 CO -0.04 0.29 0.17 0.37 -1.08 0.00 0.00 179.45 179.16 1n1c h GLN 196 N 0.23 0.91 -0.40 3.15 4.15 -1.19 -1.19 115.11 120.77 1n1c h GLN 196 Ca 0.07 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.20 1n1c h GLN 196 Cb 0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1n1c h GLN 196 CO -0.01 0.79 -0.21 0.22 -1.93 0.00 0.00 178.83 177.69 1n1c h ASP 197 N 0.88 0.79 -0.54 -0.69 3.58 -0.60 -2.34 116.42 117.51 1n1c h ASP 197 Ca 0.20 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 1n1c h ASP 197 Cb 0.28 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1n1c h ASP 197 CO -0.01 0.99 0.18 0.40 -2.88 0.00 0.00 179.24 177.92 1n1c h ILE 198 N 0.69 1.22 0.00 2.25 2.04 -0.25 -1.40 117.51 122.06 1n1c h ILE 198 Ca 0.10 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1n1c h ILE 198 Cb 0.72 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1n1c h ILE 198 CO 0.06 0.29 -0.05 0.00 0.00 0.00 0.00 178.15 178.45 1n1c h ALA 199 N 1.35 1.01 0.06 1.87 0.00 -0.80 -0.30 119.26 122.44 1n1c h ALA 199 Ca 0.19 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1n1c h ALA 199 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1n1c h ALA 199 CO -0.01 0.06 -1.57 0.37 0.00 0.00 0.00 179.25 178.10 1n1c h GLN 200 N 0.00 0.12 0.02 0.00 5.75 -0.90 -3.37 115.11 116.74 1n1c h GLN 200 Ca -0.00 -0.21 -0.23 0.00 -0.15 0.00 0.00 58.65 58.06 1n1c h GLN 200 Cb 0.59 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1n1c h GLN 200 CO 0.01 0.88 -0.98 -0.07 -2.65 0.00 0.00 178.83 176.02 1n1c h LEU 201 N 0.03 0.46 0.01 -2.39 3.38 -0.96 -3.34 115.31 112.50 1n1c h LEU 201 Ca -0.24 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.37 1n1c h LEU 201 Cb 1.98 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.54 1n1c h LEU 201 CO 0.12 1.20 -0.31 -0.33 0.09 0.00 0.00 178.44 179.21 1n1c h GLU 202 N 0.18 -0.45 -0.74 1.13 5.08 -1.21 -0.39 114.58 118.18 1n1c h GLU 202 Ca -0.08 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1n1c h GLU 202 Cb 1.62 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 1n1c h GLU 202 CO 0.16 -0.30 0.40 -1.00 -1.00 0.00 0.00 179.01 177.28 1n1c h PRO 203 N -0.47 1.03 0.05 2.33 0.13 -1.77 0.13 132.00 133.44 1n1c h PRO 203 Ca 0.06 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1n1c h PRO 203 Cb 0.55 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1n1c h PRO 203 CO -0.26 0.76 -0.23 0.00 -0.23 0.00 0.00 178.00 178.05 1n1c h ALA 204 N 1.21 -0.34 -0.79 -0.56 0.00 -1.60 0.34 119.26 117.53 1n1c h ALA 204 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1n1c h ALA 204 Cb 0.04 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n1c h ALA 204 CO -0.04 -0.74 0.36 0.28 0.00 0.00 0.00 179.25 179.11 1n1c h VAL 205 N -0.39 1.25 -0.40 0.00 2.07 -0.91 -2.49 116.25 115.38 1n1c h VAL 205 Ca 0.05 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1n1c h VAL 205 Cb 0.44 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1n1c h VAL 205 CO -0.17 0.30 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 1n1c h ALA 206 N 1.27 1.11 -0.70 1.67 0.00 -0.09 -2.74 119.26 119.79 1n1c h ALA 206 Ca 0.27 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1n1c h ALA 206 Cb 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1n1c h ALA 206 CO -0.03 0.56 0.45 0.82 0.00 0.00 0.00 179.25 181.04 1n1c h ILE 207 N 0.63 1.14 0.00 0.00 1.08 0.12 -1.34 117.51 119.13 1n1c h ILE 207 Ca 0.12 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1n1c h ILE 207 Cb 0.51 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1n1c h ILE 207 CO 0.03 0.16 -0.22 0.40 -0.69 0.00 0.00 178.15 177.83 1n1c h ILE 208 N 0.90 0.95 0.04 -0.67 2.04 -1.30 -1.32 117.51 118.16 1n1c h ILE 208 Ca 0.27 -0.83 -0.26 0.00 1.00 0.00 0.00 64.86 65.04 1n1c h ILE 208 Cb -0.04 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1n1c h ILE 208 CO -0.08 0.22 -1.30 0.28 0.00 0.00 0.00 178.15 177.26 1n1c h SER 209 N 0.00 0.14 0.97 1.72 0.02 -1.14 -0.15 113.55 115.10 1n1c h SER 209 Ca -0.00 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1n1c h SER 209 Cb 0.46 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1n1c h SER 209 CO 0.03 1.14 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.42 1n1c h LEU 210 N 0.02 0.00 0.13 5.07 3.38 -0.93 -2.86 115.31 120.12 1n1c h LEU 210 Ca -0.14 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.49 1n1c h LEU 210 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1n1c h LEU 210 CO 0.13 0.37 -1.85 -0.08 0.09 0.00 0.00 178.44 177.11 1n1c h GLU 211 N 0.00 0.27 -0.06 1.13 4.57 -1.27 -3.23 114.58 115.99 1n1c h GLU 211 Ca -0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1n1c h GLU 211 Cb 0.96 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1n1c h GLU 211 CO 0.05 1.22 0.00 0.72 -1.18 0.00 0.00 179.01 179.82 1n1c n HIS 212 N -3.61 0.02 -0.02 0.92 -0.00 -0.07 -3.09 115.22 109.37 1n1c n HIS 212 Ca -0.30 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.72 57.39 1n1c n HIS 212 Cb 1.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.97 1n1c n HIS 212 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1n1c n HIS 213 N -0.44 0.00 1.72 4.41 -0.00 -1.08 -5.01 115.22 114.81 1n1c n HIS 213 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1n1c n HIS 213 Cb 0.02 -0.19 0.71 0.00 -0.00 0.00 0.00 29.99 30.53 1n1c n HIS 213 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95