#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlj s PRO 2 N 0.00 4.04 -0.45 0.00 0.02 -1.26 -4.98 135.00 132.38 1nlj s PRO 2 Ca 0.00 1.00 -0.06 0.00 0.02 0.00 0.00 61.00 61.96 1nlj s PRO 2 Cb 0.00 -2.16 -0.16 0.00 0.02 0.00 0.00 34.50 32.20 1nlj s PRO 2 CO 0.00 -0.18 3.31 -0.25 -0.33 0.00 0.00 177.00 179.55 1nlj n ASP 3 N -1.24 6.25 -3.79 2.53 8.00 -1.26 -4.82 116.55 122.23 1nlj n ASP 3 Ca 0.07 -2.65 -0.09 0.00 0.71 0.00 0.00 54.79 52.83 1nlj n ASP 3 Cb 0.54 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.19 1nlj n ASP 3 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nlj s SER 4 N 1.69 -0.24 0.01 -2.24 1.04 -1.26 -4.68 113.70 108.01 1nlj s SER 4 Ca 0.66 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 1nlj s SER 4 Cb 0.30 0.60 0.02 0.00 0.10 0.00 0.00 66.02 67.04 1nlj s SER 4 CO -0.05 -1.11 0.28 0.54 0.98 0.00 0.00 173.24 173.88 1nlj s VAL 5 N -3.90 0.07 -0.28 5.02 0.11 -0.21 -4.97 120.40 116.24 1nlj s VAL 5 Ca 0.11 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1nlj s VAL 5 Cb -0.02 -0.72 0.15 0.00 -1.53 0.00 0.00 36.38 34.27 1nlj s VAL 5 CO 0.00 -0.33 0.39 -0.62 -3.33 0.00 0.00 175.10 171.22 1nlj s ASP 6 N -1.61 0.51 0.00 3.54 -1.08 -1.26 -1.22 116.67 115.55 1nlj s ASP 6 Ca -0.11 -0.35 0.15 0.00 -0.52 0.00 0.00 52.55 51.72 1nlj s ASP 6 Cb -0.04 1.04 0.80 0.00 -1.46 0.00 0.00 42.92 43.26 1nlj s ASP 6 CO 0.01 -0.35 1.38 -1.22 0.52 0.00 0.00 175.17 175.51 1nlj n TYR 7 N 5.35 0.00 0.10 -5.34 4.01 -0.62 -2.19 117.16 118.47 1nlj n TYR 7 Ca -0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1nlj n TYR 7 Cb 0.49 -0.19 0.23 0.00 -0.31 0.00 0.00 39.34 39.56 1nlj n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nlj h ARG 8 N 0.00 0.22 0.00 -0.72 3.08 -1.94 -1.77 114.38 113.25 1nlj h ARG 8 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1nlj h ARG 8 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1nlj h ARG 8 CO 0.00 0.61 0.00 1.63 -1.07 0.00 0.00 179.97 181.14 1nlj n LYS 9 N -4.02 0.15 0.00 0.04 5.02 -0.93 -2.35 118.16 116.07 1nlj n LYS 9 Ca -0.02 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1nlj n LYS 9 Cb 0.48 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1nlj n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nlj n LYS 10 N -1.40 1.59 -2.11 1.97 4.76 -0.89 -4.97 118.16 117.12 1nlj n LYS 10 Ca 0.08 -1.01 -0.05 0.00 -2.87 0.00 0.00 58.31 54.46 1nlj n LYS 10 Cb 0.22 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1nlj n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nlj n GLY 11 N 1.09 0.17 0.10 0.72 0.00 -0.99 -4.95 105.19 101.33 1nlj n GLY 11 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1nlj n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nlj h TYR 12 N -0.01 0.00 -3.46 1.61 -1.99 -1.57 -3.42 116.97 108.12 1nlj h TYR 12 Ca -0.12 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 59.98 1nlj h TYR 12 Cb 1.09 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.64 1nlj h TYR 12 CO 0.13 0.68 -0.57 0.14 -0.00 0.00 0.00 178.16 178.54 1nlj s VAL 13 N -2.86 4.73 1.03 -2.88 -7.23 -1.26 -3.82 120.40 108.12 1nlj s VAL 13 Ca -0.01 -0.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.97 1nlj s VAL 13 Cb 0.08 -3.17 0.21 0.00 0.56 0.00 0.00 36.38 34.06 1nlj s VAL 13 CO 0.80 0.40 1.13 0.42 -0.31 0.00 0.00 175.10 177.54 1nlj s THR 14 N 0.87 1.88 0.58 5.32 -4.23 -1.26 -4.99 115.64 113.82 1nlj s THR 14 Ca 0.04 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 1nlj s THR 14 Cb -0.14 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1nlj s THR 14 CO 0.03 0.00 1.26 -2.84 -0.54 0.00 0.00 174.62 172.53 1nlj s PRO 15 N -5.28 2.97 0.76 3.99 0.02 -1.26 -4.96 135.00 131.24 1nlj s PRO 15 Ca 0.67 1.99 -0.15 0.00 0.02 0.00 0.00 61.00 63.53 1nlj s PRO 15 Cb -0.13 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1nlj s PRO 15 CO 0.55 -1.25 0.77 0.28 -0.33 0.00 0.00 177.00 177.02 1nlj n VAL 16 N -1.44 1.95 -4.29 3.83 0.31 -1.26 -5.02 118.33 112.41 1nlj n VAL 16 Ca 0.13 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 1nlj n VAL 16 Cb 0.48 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 1nlj n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nlj s LYS 17 N -3.26 1.32 -0.12 5.55 1.02 -1.26 -4.76 119.74 118.23 1nlj s LYS 17 Ca 0.68 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1nlj s LYS 17 Cb -0.32 -0.23 0.01 0.00 -0.52 0.00 0.00 37.83 36.77 1nlj s LYS 17 CO 0.55 -0.26 -0.17 1.21 -0.92 0.00 0.00 175.35 175.77 1nlj s ASN 18 N -3.27 2.63 0.21 2.83 3.84 -1.25 -1.95 114.94 117.97 1nlj s ASN 18 Ca 0.34 -0.48 -0.10 0.00 0.21 0.00 0.00 52.86 52.84 1nlj s ASN 18 Cb 0.07 -1.18 0.16 0.00 -0.55 0.00 0.00 41.25 39.74 1nlj s ASN 18 CO 0.11 0.02 1.87 1.56 -2.79 0.00 0.00 177.10 177.87 1nlj h GLN 19 N 7.48 1.00 0.00 0.43 4.20 -1.37 -3.47 115.11 123.39 1nlj h GLN 19 Ca -0.32 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1nlj h GLN 19 Cb 1.17 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1nlj h GLN 19 CO 0.51 0.68 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 1nlj n GLY 20 N -1.27 -0.25 2.64 3.46 0.00 -1.26 -4.08 105.19 104.42 1nlj n GLY 20 Ca 0.07 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1nlj n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nlj n GLN 21 N 0.09 3.81 -3.75 1.61 1.13 -1.26 -4.86 117.38 114.15 1nlj n GLN 21 Ca 0.00 -3.52 -0.13 0.00 -1.94 0.00 0.00 57.00 51.41 1nlj n GLN 21 Cb 0.00 -2.38 -0.14 0.00 0.11 0.00 0.00 30.24 27.83 1nlj n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nlj n GLY 23 N 4.09 4.13 1.13 0.00 0.00 -0.67 -4.52 105.19 109.36 1nlj n GLY 23 Ca -0.25 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.34 1nlj n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nlj n SER 24 N 5.67 4.24 -0.28 1.61 3.41 -1.26 -3.47 113.62 123.53 1nlj n SER 24 Ca 0.57 -2.83 0.04 0.00 -0.26 0.00 0.00 58.87 56.39 1nlj n SER 24 Cb 0.35 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 1nlj n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nlj h TRP 26 N 0.68 0.91 -0.53 0.00 5.08 -1.82 0.47 115.95 120.74 1nlj h TRP 26 Ca 0.41 0.03 -0.09 0.00 1.08 0.00 0.00 58.89 60.32 1nlj h TRP 26 Cb 0.46 -0.28 -0.02 0.00 -3.00 0.00 0.00 29.16 26.32 1nlj h TRP 26 CO -0.09 0.39 -0.00 0.00 -1.28 0.00 0.00 178.44 177.46 1nlj h ALA 27 N 1.46 0.72 -0.34 0.11 0.00 -1.44 0.12 119.26 119.89 1nlj h ALA 27 Ca 0.41 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1nlj h ALA 27 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nlj h ALA 27 CO -0.24 0.54 -0.43 0.74 0.00 0.00 0.00 179.25 179.87 1nlj h PHE 28 N 0.82 1.03 -0.72 0.00 -1.00 -0.24 0.10 116.94 116.94 1nlj h PHE 28 Ca 0.15 -0.32 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 1nlj h PHE 28 Cb 0.53 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 1nlj h PHE 28 CO 0.04 1.13 0.39 1.03 -1.61 0.00 0.00 178.31 179.29 1nlj h SER 29 N 0.69 0.91 -0.22 2.17 0.87 0.10 0.59 113.55 118.66 1nlj h SER 29 Ca 0.05 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1nlj h SER 29 Cb 1.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1nlj h SER 29 CO 0.10 0.75 -0.01 0.28 -0.53 0.00 0.00 176.83 177.42 1nlj h SER 30 N 1.00 0.38 -0.77 6.23 0.02 -0.52 -2.68 113.55 117.21 1nlj h SER 30 Ca 0.25 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1nlj h SER 30 Cb 0.05 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1nlj h SER 30 CO -0.04 0.61 0.46 0.58 -1.14 0.00 0.00 176.83 177.30 1nlj h VAL 31 N 0.15 1.22 -0.15 2.27 2.07 -0.60 -2.03 116.25 119.18 1nlj h VAL 31 Ca 0.06 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1nlj h VAL 31 Cb 0.41 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1nlj h VAL 31 CO 0.01 0.23 -0.13 1.23 0.02 0.00 0.00 177.57 178.93 1nlj h GLY 32 N 1.06 -0.02 0.95 2.17 0.00 -0.75 0.63 103.07 107.11 1nlj h GLY 32 Ca 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1nlj h GLY 32 CO -0.05 -0.14 0.17 0.00 0.00 0.00 0.00 176.54 176.52 1nlj h ALA 33 N 0.95 0.50 -0.98 3.60 0.00 -1.32 -2.49 119.26 119.52 1nlj h ALA 33 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nlj h ALA 33 Cb 0.29 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1nlj h ALA 33 CO -0.24 0.08 0.64 -0.07 0.00 0.00 0.00 179.25 179.67 1nlj h LEU 34 N 0.49 1.06 -0.69 0.00 3.38 -0.88 -1.96 115.31 116.72 1nlj h LEU 34 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1nlj h LEU 34 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1nlj h LEU 34 CO -0.01 0.72 0.09 -0.33 0.09 0.00 0.00 178.44 178.99 1nlj h GLU 35 N 1.23 1.10 -0.22 1.13 5.08 -0.71 -0.65 114.58 121.53 1nlj h GLU 35 Ca 0.40 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1nlj h GLU 35 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1nlj h GLU 35 CO -0.13 1.02 0.08 0.78 -1.00 0.00 0.00 179.01 179.75 1nlj h GLY 36 N 1.04 0.35 1.25 -3.84 0.00 -0.92 0.14 103.07 101.09 1nlj h GLY 36 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1nlj h GLY 36 CO 0.02 0.19 0.07 1.46 0.00 0.00 0.00 176.54 178.28 1nlj h GLN 37 N 0.19 0.93 -0.42 4.80 1.08 -1.29 -1.08 115.11 119.31 1nlj h GLN 37 Ca 0.07 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1nlj h GLN 37 Cb 0.20 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1nlj h GLN 37 CO -0.00 0.87 0.27 1.25 -0.95 0.00 0.00 178.83 180.26 1nlj h LEU 38 N 0.87 0.45 -0.23 1.46 5.85 -0.71 0.91 115.31 123.92 1nlj h LEU 38 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1nlj h LEU 38 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1nlj h LEU 38 CO 0.01 0.33 0.07 0.50 -0.34 0.00 0.00 178.44 179.01 1nlj h LYS 39 N 0.54 0.35 -0.46 1.25 3.11 -0.69 0.19 116.57 120.86 1nlj h LYS 39 Ca 0.16 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1nlj h LYS 39 Cb -0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1nlj h LYS 39 CO -0.05 0.43 0.31 -0.22 -2.81 0.00 0.00 179.45 177.11 1nlj h LYS 40 N 0.20 0.52 0.06 1.90 3.64 -0.82 0.87 116.57 122.93 1nlj h LYS 40 Ca 0.07 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.11 1nlj h LYS 40 Cb 0.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1nlj h LYS 40 CO -0.00 0.34 -1.69 0.87 -2.27 0.00 0.00 179.45 176.70 1nlj h LYS 41 N 0.53 0.13 0.00 1.90 1.79 -0.46 -3.40 116.57 117.06 1nlj h LYS 41 Ca 0.18 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1nlj h LYS 41 Cb 0.08 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1nlj h LYS 41 CO -0.05 0.87 -0.44 0.25 -1.08 0.00 0.00 179.45 179.00 1nlj n THR 42 N -3.28 0.00 -1.00 -0.16 -2.24 0.62 -5.00 114.28 103.22 1nlj n THR 42 Ca -0.19 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1nlj n THR 42 Cb 1.04 0.91 -0.00 0.00 -2.10 0.00 0.00 70.33 70.18 1nlj n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nlj n GLY 43 N 1.28 0.46 3.12 3.38 0.00 0.30 -5.01 105.19 108.71 1nlj n GLY 43 Ca 0.01 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1nlj n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nlj s LYS 44 N -0.24 2.87 -0.18 1.61 1.02 -1.25 -5.00 119.74 118.58 1nlj s LYS 44 Ca 0.00 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 1nlj s LYS 44 Cb 0.00 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 1nlj s LYS 44 CO 0.00 -0.14 0.93 -1.17 -0.92 0.00 0.00 175.35 174.05 1nlj s LEU 45 N 1.13 4.16 -0.05 3.17 2.96 -1.26 -3.82 118.68 124.96 1nlj s LEU 45 Ca 0.00 1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 1nlj s LEU 45 Cb -0.14 -3.39 0.02 0.00 0.50 0.00 0.00 46.19 43.18 1nlj s LEU 45 CO -0.08 -0.49 0.24 -0.22 -1.32 0.00 0.00 176.35 174.48 1nlj s LEU 46 N 2.46 1.10 -0.12 -0.68 2.96 -1.26 -5.08 118.68 118.06 1nlj s LEU 46 Ca 0.42 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.27 1nlj s LEU 46 Cb -0.16 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.45 1nlj s LEU 46 CO 0.12 -0.25 1.05 0.20 -1.32 0.00 0.00 176.35 176.15 1nlj s ASN 47 N -0.61 7.18 0.38 3.68 0.02 -1.26 -4.78 114.94 119.54 1nlj s ASN 47 Ca -0.07 1.56 0.01 0.00 -1.02 0.00 0.00 52.86 53.35 1nlj s ASN 47 Cb -0.04 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 38.66 1nlj s ASN 47 CO 0.02 -0.51 0.57 -0.76 0.02 0.00 0.00 177.10 176.44 1nlj s LEU 48 N 2.27 3.90 -0.71 0.60 1.43 -1.26 -1.39 118.68 123.52 1nlj s LEU 48 Ca 0.49 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.62 1nlj s LEU 48 Cb -0.19 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1nlj s LEU 48 CO 0.17 -0.44 1.26 -0.55 0.23 0.00 0.00 176.35 177.01 1nlj s SER 49 N -4.11 6.21 0.40 2.29 0.15 -0.10 -3.86 113.70 114.67 1nlj s SER 49 Ca 0.43 -0.37 0.16 0.00 0.70 0.00 0.00 55.95 56.87 1nlj s SER 49 Cb -0.10 -2.55 0.83 0.00 -1.71 0.00 0.00 66.02 62.49 1nlj s SER 49 CO 0.36 -1.77 1.85 1.55 1.20 0.00 0.00 173.24 176.43 1nlj h PRO 50 N 9.93 0.00 -0.28 5.44 0.13 -1.86 -2.73 132.00 142.63 1nlj h PRO 50 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1nlj h PRO 50 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1nlj h PRO 50 CO 1.26 0.33 -0.25 0.37 -0.23 0.00 0.00 178.00 179.48 1nlj h GLN 51 N 0.00 0.54 -0.90 0.86 5.75 -1.84 -1.52 115.11 118.00 1nlj h GLN 51 Ca -0.00 -0.21 0.12 0.00 -0.15 0.00 0.00 58.65 58.40 1nlj h GLN 51 Cb 0.64 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.08 1nlj h GLN 51 CO 0.04 0.75 0.53 -0.97 -2.65 0.00 0.00 178.83 176.53 1nlj h ASN 52 N 0.47 0.74 -0.09 -0.69 -0.00 -1.73 -0.31 115.58 113.97 1nlj h ASN 52 Ca 0.07 0.06 -0.07 0.00 -0.00 0.00 0.00 56.30 56.36 1nlj h ASN 52 Cb 0.69 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 1nlj h ASN 52 CO 0.05 0.39 -0.21 -0.07 -0.00 0.00 0.00 177.43 177.60 1nlj h LEU 53 N 0.84 0.33 -1.03 0.34 3.38 -1.39 -2.22 115.31 115.56 1nlj h LEU 53 Ca 0.45 -0.58 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1nlj h LEU 53 Cb 0.47 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1nlj h LEU 53 CO -0.28 0.86 0.64 0.58 0.09 0.00 0.00 178.44 180.33 1nlj h VAL 54 N -0.17 1.08 0.00 1.22 2.07 -0.66 -1.66 116.25 118.12 1nlj h VAL 54 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1nlj h VAL 54 Cb 0.81 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1nlj h VAL 54 CO 0.05 0.21 -0.66 0.47 0.02 0.00 0.00 177.57 177.66 1nlj n ASP 55 N -4.50 0.61 -0.00 0.57 8.00 -0.19 -3.99 116.55 117.04 1nlj n ASP 55 Ca 0.15 -0.33 -0.00 0.00 0.71 0.00 0.00 54.79 55.32 1nlj n ASP 55 Cb 0.19 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 1nlj n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nlj s VAL 57 N -2.04 3.67 0.40 0.00 1.01 -0.64 -4.77 120.40 118.02 1nlj s VAL 57 Ca -0.01 -0.61 0.32 0.00 0.00 0.00 0.00 61.98 61.69 1nlj s VAL 57 Cb 0.00 -4.50 0.34 0.00 0.00 0.00 0.00 36.38 32.23 1nlj s VAL 57 CO 0.05 -1.39 2.11 0.77 0.00 0.00 0.00 175.10 176.64 1nlj h SER 58 N 10.48 0.00 0.57 3.32 4.64 -1.89 -1.60 113.55 129.07 1nlj h SER 58 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nlj h SER 58 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nlj h SER 58 CO 1.31 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 176.72 1nlj n GLU 59 N -3.41 0.04 -2.20 4.77 4.71 -1.26 -4.71 120.64 118.57 1nlj n GLU 59 Ca -0.02 0.18 -0.09 0.00 -0.01 0.00 0.00 57.16 57.23 1nlj n GLU 59 Cb 0.22 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.16 1nlj n GLU 59 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1nlj n ASN 60 N -1.47 1.42 -2.38 1.62 5.03 -0.60 -4.94 115.26 113.94 1nlj n ASN 60 Ca 0.05 -1.67 -0.20 0.00 0.87 0.00 0.00 54.58 53.63 1nlj n ASN 60 Cb 0.20 -0.05 0.02 0.00 -1.02 0.00 0.00 39.78 38.92 1nlj n ASN 60 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1nlj n ASP 61 N -2.16 3.93 0.00 6.41 2.03 -0.07 -5.00 116.55 121.70 1nlj n ASP 61 Ca 0.01 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.96 1nlj n ASP 61 Cb 0.23 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1nlj n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nlj n GLY 62 N -0.53 3.02 0.00 0.27 0.00 -1.26 0.10 105.19 106.80 1nlj n GLY 62 Ca 0.33 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.59 1nlj n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlj h GLY 64 N 3.77 0.00 0.00 0.00 0.00 0.46 -1.77 103.07 105.53 1nlj h GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nlj h GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nlj n GLY 65 N 1.22 2.70 3.96 4.60 0.00 -1.00 -4.93 105.19 111.74 1nlj n GLY 65 Ca 0.04 -2.05 0.04 0.00 0.00 0.00 0.00 46.02 44.05 1nlj n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nlj s GLY 66 N 0.00 -0.21 -0.02 -0.02 0.00 -1.26 -0.89 107.32 104.92 1nlj s GLY 66 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1nlj s GLY 66 CO 0.00 5.62 -0.08 -0.19 0.00 0.00 0.00 173.10 178.45 1nlj s TYR 67 N -2.03 2.87 0.31 1.90 2.02 -1.26 -4.73 117.35 116.43 1nlj s TYR 67 Ca 0.29 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1nlj s TYR 67 Cb 0.01 -1.63 0.52 0.00 -0.40 0.00 0.00 41.96 40.46 1nlj s TYR 67 CO -0.02 0.34 1.86 0.52 -1.57 0.00 0.00 175.55 176.68 1nlj h MET 68 N 4.81 0.66 -0.56 -0.62 2.86 -1.97 -2.94 114.93 117.17 1nlj h MET 68 Ca -0.48 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.03 1nlj h MET 68 Cb 1.17 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1nlj h MET 68 CO 0.53 0.63 0.36 1.79 1.06 0.00 0.00 176.91 181.28 1nlj h THR 69 N 0.64 1.13 -0.83 2.22 1.35 -1.96 0.44 112.91 115.90 1nlj h THR 69 Ca 0.14 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.77 1nlj h THR 69 Cb 0.30 0.32 -0.05 0.00 -1.73 0.00 0.00 68.15 66.99 1nlj h THR 69 CO 0.00 0.13 0.54 0.78 -0.25 0.00 0.00 175.52 176.73 1nlj h ASN 70 N 0.74 0.92 -0.30 5.36 -0.26 -1.95 0.30 115.58 120.39 1nlj h ASN 70 Ca 0.21 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1nlj h ASN 70 Cb -0.06 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 1nlj h ASN 70 CO -0.06 0.65 0.19 0.00 -1.06 0.00 0.00 177.43 177.15 1nlj h ALA 71 N 1.32 0.38 -0.63 -0.83 0.00 -1.14 0.48 119.26 118.85 1nlj h ALA 71 Ca 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1nlj h ALA 71 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nlj h ALA 71 CO -0.09 -0.12 0.07 0.74 0.00 0.00 0.00 179.25 179.85 1nlj h PHE 72 N 0.39 1.13 -0.77 0.00 0.04 -0.45 -1.80 116.94 115.48 1nlj h PHE 72 Ca 0.11 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1nlj h PHE 72 Cb 0.00 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 1nlj h PHE 72 CO -0.04 0.96 0.45 0.37 -0.60 0.00 0.00 178.31 179.45 1nlj h GLN 73 N 0.98 1.05 0.30 1.51 5.75 -0.51 -1.26 115.11 122.93 1nlj h GLN 73 Ca 0.19 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1nlj h GLN 73 Cb 0.47 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 1nlj h GLN 73 CO 0.02 0.75 -0.18 -0.92 -2.65 0.00 0.00 178.83 175.86 1nlj h TYR 74 N 1.05 -0.46 -0.79 3.99 3.20 -0.48 -1.76 116.97 121.73 1nlj h TYR 74 Ca 0.27 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.25 1nlj h TYR 74 Cb -0.02 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 1nlj h TYR 74 CO -0.01 -0.28 0.41 0.28 -1.64 0.00 0.00 178.16 176.93 1nlj h VAL 75 N -0.45 0.83 0.69 1.81 2.07 -1.02 0.20 116.25 120.37 1nlj h VAL 75 Ca -0.03 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1nlj h VAL 75 Cb 0.37 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1nlj h VAL 75 CO 0.04 0.12 -0.37 -0.61 0.02 0.00 0.00 177.57 176.77 1nlj h GLN 76 N 0.67 -0.93 0.00 1.57 -0.00 -0.93 -0.82 115.11 114.67 1nlj h GLN 76 Ca 0.40 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1nlj h GLN 76 Cb 0.44 0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.14 1nlj h GLN 76 CO -0.29 -0.62 0.00 1.57 0.00 0.00 0.00 178.83 179.49 1nlj h LYS 77 N -0.97 0.00 0.00 1.69 2.10 -1.12 -0.41 116.57 117.86 1nlj h LYS 77 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1nlj h LYS 77 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1nlj h LYS 77 CO 0.13 0.00 -0.17 -1.71 -2.00 0.00 0.00 179.45 175.70 1nlj n ASN 78 N -3.01 0.21 -2.96 7.07 5.15 0.67 -4.91 115.26 117.48 1nlj n ASN 78 Ca 0.01 0.27 -0.22 0.00 -0.60 0.00 0.00 54.58 54.04 1nlj n ASN 78 Cb 0.30 -0.27 0.04 0.00 -0.53 0.00 0.00 39.78 39.32 1nlj n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nlj n ARG 79 N -1.56 -5.00 0.00 1.20 1.74 -0.16 -4.92 116.66 107.95 1nlj n ARG 79 Ca 0.06 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1nlj n ARG 79 Cb 0.35 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 26.10 1nlj n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nlj n GLY 80 N -1.54 3.66 2.86 -0.13 0.00 -0.43 -4.90 105.19 104.71 1nlj n GLY 80 Ca -0.10 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1nlj n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nlj s ILE 81 N -2.00 0.38 0.75 -0.61 2.07 0.21 -4.72 121.20 117.27 1nlj s ILE 81 Ca 0.00 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.09 1nlj s ILE 81 Cb 0.00 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 42.20 1nlj s ILE 81 CO 0.00 0.19 1.09 -1.81 -1.91 0.00 0.00 174.94 172.50 1nlj s ASP 82 N 0.94 4.69 0.62 4.50 -0.00 -1.26 -1.20 116.67 124.96 1nlj s ASP 82 Ca -0.11 1.83 -0.10 0.00 -0.00 0.00 0.00 52.55 54.17 1nlj s ASP 82 Cb -0.14 -2.52 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 1nlj s ASP 82 CO -0.01 -1.91 1.01 -0.94 -0.00 0.00 0.00 175.17 173.33 1nlj s SER 83 N -3.29 6.11 0.11 0.27 1.04 -0.70 -0.93 113.70 116.31 1nlj s SER 83 Ca 0.62 1.31 -0.25 0.00 0.48 0.00 0.00 55.95 58.10 1nlj s SER 83 Cb -0.17 -2.35 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1nlj s SER 83 CO 0.53 -0.91 1.66 -0.08 0.98 0.00 0.00 173.24 175.42 1nlj h GLU 84 N -0.30 -0.35 -0.85 4.02 4.57 -1.34 -1.55 114.58 118.78 1nlj h GLU 84 Ca -0.44 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 57.94 1nlj h GLU 84 Cb 1.20 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 29.71 1nlj h GLU 84 CO 0.62 -0.23 -0.12 0.22 -1.18 0.00 0.00 179.01 178.31 1nlj h ASP 85 N -0.36 -0.64 1.65 1.04 3.58 -1.92 0.24 116.42 120.01 1nlj h ASP 85 Ca 0.04 0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1nlj h ASP 85 Cb 0.41 0.48 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 1nlj h ASP 85 CO -0.15 -0.27 -0.10 0.00 -2.88 0.00 0.00 179.24 175.85 1nlj h ALA 86 N 1.83 0.95 -2.37 -0.78 0.00 -1.75 -3.38 119.26 113.77 1nlj h ALA 86 Ca 0.44 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.67 1nlj h ALA 86 Cb 0.74 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.13 1nlj h ALA 86 CO -0.83 0.12 -0.98 -0.47 0.00 0.00 0.00 179.25 177.10 1nlj s TYR 87 N -3.29 1.08 0.70 0.00 6.14 -0.02 -4.97 117.35 116.99 1nlj s TYR 87 Ca 0.05 -2.32 -0.16 0.00 0.64 0.00 0.00 57.07 55.28 1nlj s TYR 87 Cb 0.07 -0.92 -0.01 0.00 0.42 0.00 0.00 41.96 41.52 1nlj s TYR 87 CO 0.66 -0.83 0.88 -2.30 0.64 0.00 0.00 175.55 174.60 1nlj n PRO 88 N 2.87 0.52 -3.06 4.97 -0.02 -0.66 -4.55 135.00 135.06 1nlj n PRO 88 Ca 0.30 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1nlj n PRO 88 Cb 0.48 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1nlj n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nlj s TYR 89 N -1.79 3.09 -1.91 6.00 5.04 -1.26 -4.71 117.35 121.81 1nlj s TYR 89 Ca 0.72 0.22 0.21 0.00 -2.44 0.00 0.00 57.07 55.78 1nlj s TYR 89 Cb -0.36 -3.33 -0.00 0.00 0.35 0.00 0.00 41.96 38.62 1nlj s TYR 89 CO 0.51 -0.78 1.03 1.33 -1.34 0.00 0.00 175.55 176.30 1nlj n VAL 90 N 5.80 0.00 -2.69 3.14 0.24 -1.26 -5.01 118.33 118.55 1nlj n VAL 90 Ca -0.00 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 1nlj n VAL 90 Cb 0.48 1.25 0.02 0.00 -1.47 0.00 0.00 33.84 34.12 1nlj n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nlj n GLY 91 N 1.34 -0.12 3.50 7.63 0.00 -1.26 -5.00 105.19 111.27 1nlj n GLY 91 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nlj n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nlj s GLN 92 N -5.21 0.30 0.49 1.61 -2.07 -1.26 -4.56 119.66 108.97 1nlj s GLN 92 Ca 0.17 0.65 -0.24 0.00 -1.82 0.00 0.00 55.36 54.12 1nlj s GLN 92 Cb -0.08 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 32.05 1nlj s GLN 92 CO 0.21 -0.09 1.40 -0.85 -1.32 0.00 0.00 175.29 174.65 1nlj n GLU 93 N 4.40 2.02 -4.07 9.60 0.28 -1.26 -5.02 120.64 126.60 1nlj n GLU 93 Ca -0.13 0.73 -0.11 0.00 -0.16 0.00 0.00 57.16 57.49 1nlj n GLU 93 Cb 0.55 -2.61 -0.06 0.00 1.43 0.00 0.00 31.44 30.74 1nlj n GLU 93 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1nlj s GLU 94 N -2.63 1.53 0.44 3.44 -1.05 -1.26 -5.08 118.70 114.09 1nlj s GLU 94 Ca 0.65 -1.45 -0.23 0.00 -0.15 0.00 0.00 54.97 53.79 1nlj s GLU 94 Cb -0.44 0.41 -0.11 0.00 -0.44 0.00 0.00 34.13 33.56 1nlj s GLU 94 CO 0.54 -0.61 0.88 0.43 0.95 0.00 0.00 175.26 177.45 1nlj n SER 95 N -0.56 0.64 -4.68 0.83 7.64 -1.26 -4.59 113.62 111.63 1nlj n SER 95 Ca -0.00 0.98 -0.42 0.00 1.01 0.00 0.00 58.87 60.44 1nlj n SER 95 Cb 0.63 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 1nlj n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nlj n MET 97 N 5.92 2.36 -1.81 0.00 2.81 -1.26 -5.05 117.12 120.08 1nlj n MET 97 Ca 0.16 -3.62 -0.41 0.00 -1.81 0.00 0.00 57.70 52.02 1nlj n MET 97 Cb 0.41 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 1nlj n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1nlj s TYR 98 N -3.26 2.80 -0.12 2.03 5.04 -1.26 -4.99 117.35 117.59 1nlj s TYR 98 Ca 0.40 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1nlj s TYR 98 Cb 0.37 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.67 1nlj s TYR 98 CO -0.02 -3.49 -0.15 1.21 -1.34 0.00 0.00 175.55 171.75 1nlj s ASN 99 N 0.52 2.56 0.49 4.32 2.47 -1.26 -5.01 114.94 119.03 1nlj s ASN 99 Ca 0.63 -0.46 0.23 0.00 0.42 0.00 0.00 52.86 53.69 1nlj s ASN 99 Cb -0.47 -1.14 1.28 0.00 -1.45 0.00 0.00 41.25 39.47 1nlj s ASN 99 CO 0.46 -0.00 1.92 -0.65 -3.72 0.00 0.00 177.10 175.11 1nlj h PRO 100 N 7.60 0.17 -0.07 0.43 0.11 -2.00 -1.65 132.00 136.60 1nlj h PRO 100 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1nlj h PRO 100 Cb 1.16 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nlj h PRO 100 CO 0.51 0.11 0.01 1.15 -0.21 0.00 0.00 178.00 179.57 1nlj h THR 101 N 0.18 1.04 -0.64 -1.15 2.02 -2.02 -2.75 112.91 109.59 1nlj h THR 101 Ca 0.38 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1nlj h THR 101 Cb 1.22 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1nlj h THR 101 CO -0.07 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1nlj n GLY 102 N -1.43 2.80 3.66 2.16 0.00 -0.62 -4.97 105.19 106.79 1nlj n GLY 102 Ca -0.02 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1nlj n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nlj s LYS 103 N -1.94 4.14 0.00 1.61 2.20 -1.04 -1.73 119.74 122.99 1nlj s LYS 103 Ca 0.52 2.60 0.04 0.00 -0.36 0.00 0.00 55.97 58.76 1nlj s LYS 103 Cb 0.34 -4.11 0.06 0.00 -1.51 0.00 0.00 37.83 32.60 1nlj s LYS 103 CO 0.24 -0.94 0.78 0.00 -0.36 0.00 0.00 175.35 175.07 1nlj n ALA 104 N 7.39 2.35 -3.63 3.13 0.00 -0.34 -4.87 120.51 124.53 1nlj n ALA 104 Ca 0.20 -0.71 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 1nlj n ALA 104 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1nlj n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nlj s ALA 105 N -0.55 -2.16 0.21 0.00 0.00 -1.17 -4.98 121.76 113.11 1nlj s ALA 105 Ca 0.06 1.84 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1nlj s ALA 105 Cb 0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1nlj s ALA 105 CO 0.05 -0.49 0.03 -1.59 0.00 0.00 0.00 175.76 173.77 1nlj s LYS 106 N -1.88 1.23 0.07 0.00 -2.85 -1.26 -0.62 119.74 114.42 1nlj s LYS 106 Ca 0.10 -1.62 0.07 0.00 -1.00 0.00 0.00 55.97 53.52 1nlj s LYS 106 Cb -0.01 -0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 35.43 1nlj s LYS 106 CO -0.04 -0.18 -0.18 0.00 0.10 0.00 0.00 175.35 175.05 1nlj n ARG 108 N 1.51 1.63 0.00 0.00 1.74 -0.22 -4.01 116.66 117.31 1nlj n ARG 108 Ca -0.19 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 1nlj n ARG 108 Cb 0.54 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1nlj n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nlj n GLY 109 N -1.22 0.50 3.46 -0.13 0.00 -1.26 -4.81 105.19 101.73 1nlj n GLY 109 Ca 0.18 -2.26 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1nlj n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nlj s TYR 110 N -0.25 -0.32 0.04 1.61 1.13 -1.26 -0.19 117.35 118.10 1nlj s TYR 110 Ca 0.00 0.03 0.06 0.00 -1.41 0.00 0.00 57.07 55.75 1nlj s TYR 110 Cb 0.00 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1nlj s TYR 110 CO 0.00 -0.87 -0.16 1.03 -2.51 0.00 0.00 175.55 173.04 1nlj s ARG 111 N -3.81 1.08 -0.06 -3.49 0.52 -0.53 -4.90 118.95 107.76 1nlj s ARG 111 Ca 0.04 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1nlj s ARG 111 Cb -0.01 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 1nlj s ARG 111 CO -0.08 0.28 -0.03 -1.21 0.02 0.00 0.00 175.30 174.28 1nlj s GLU 112 N -1.11 2.84 0.15 3.54 2.02 -1.26 -1.94 118.70 122.94 1nlj s GLU 112 Ca 0.04 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1nlj s GLU 112 Cb -0.08 -2.68 -0.07 0.00 0.10 0.00 0.00 34.13 31.40 1nlj s GLU 112 CO 0.01 0.67 0.95 0.42 0.02 0.00 0.00 175.26 177.33 1nlj s ILE 113 N -0.88 4.38 -0.29 -1.63 1.09 -0.65 -4.95 121.20 118.28 1nlj s ILE 113 Ca 0.14 2.06 -0.41 0.00 -1.10 0.00 0.00 60.65 61.34 1nlj s ILE 113 Cb -0.11 -4.32 -0.16 0.00 -1.06 0.00 0.00 42.46 36.81 1nlj s ILE 113 CO 0.03 0.37 1.72 -2.65 -0.10 0.00 0.00 174.94 174.32 1nlj n PRO 114 N 2.40 1.05 -1.62 2.79 -0.02 -1.26 -4.62 135.00 133.72 1nlj n PRO 114 Ca 0.01 0.38 -0.60 0.00 -2.02 0.00 0.00 63.50 61.27 1nlj n PRO 114 Cb 0.49 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1nlj n PRO 114 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nlj n GLU 115 N 5.18 0.35 -1.24 -0.52 2.13 -1.26 -1.43 120.64 123.85 1nlj n GLU 115 Ca 0.27 0.13 -0.08 0.00 0.66 0.00 0.00 57.16 58.13 1nlj n GLU 115 Cb 0.11 -1.67 -0.03 0.00 0.27 0.00 0.00 31.44 30.11 1nlj n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nlj n GLY 116 N 2.76 0.93 3.22 8.31 0.00 0.16 -4.95 105.19 115.61 1nlj n GLY 116 Ca 0.24 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1nlj n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nlj s ASN 117 N -2.52 5.84 0.46 1.61 3.84 -0.51 -4.87 114.94 118.78 1nlj s ASN 117 Ca 0.00 -2.24 0.23 0.00 0.21 0.00 0.00 52.86 51.05 1nlj s ASN 117 Cb 0.00 -2.03 1.09 0.00 -0.55 0.00 0.00 41.25 39.77 1nlj s ASN 117 CO 0.00 -0.62 1.93 -0.33 -2.79 0.00 0.00 177.10 175.29 1nlj h GLU 118 N 8.07 0.00 -0.40 0.43 5.08 -1.90 -2.04 114.58 123.82 1nlj h GLU 118 Ca -0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 1nlj h GLU 118 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1nlj h GLU 118 CO 0.82 0.22 -0.35 0.87 -1.00 0.00 0.00 179.01 179.57 1nlj h LYS 119 N 0.00 0.94 -0.48 2.33 6.56 -1.98 -0.64 116.57 123.31 1nlj h LYS 119 Ca -0.00 -0.48 -0.11 0.00 -1.06 0.00 0.00 60.65 59.00 1nlj h LYS 119 Cb 0.56 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1nlj h LYS 119 CO 0.03 1.14 -0.16 0.00 -2.06 0.00 0.00 179.45 178.40 1nlj h ALA 120 N 0.81 0.82 -0.67 3.86 0.00 -1.84 -0.70 119.26 121.54 1nlj h ALA 120 Ca 0.07 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1nlj h ALA 120 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1nlj h ALA 120 CO 0.09 0.65 0.14 1.25 0.00 0.00 0.00 179.25 181.39 1nlj h LEU 121 N 0.81 1.03 -0.03 0.00 5.85 -1.24 -0.02 115.31 121.71 1nlj h LEU 121 Ca 0.12 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1nlj h LEU 121 Cb 0.70 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1nlj h LEU 121 CO 0.05 1.01 0.02 0.50 -0.34 0.00 0.00 178.44 179.68 1nlj h LYS 122 N 1.00 0.04 -0.57 1.25 3.64 -0.77 0.79 116.57 121.96 1nlj h LYS 122 Ca 0.21 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1nlj h LYS 122 Cb 0.39 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1nlj h LYS 122 CO 0.01 0.06 0.34 0.00 -2.27 0.00 0.00 179.45 177.60 1nlj h ARG 123 N 0.01 0.66 -0.22 1.90 3.08 -0.85 -0.61 114.38 118.36 1nlj h ARG 123 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nlj h ARG 123 Cb 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1nlj h ARG 123 CO -0.00 0.44 0.13 0.00 -1.07 0.00 0.00 179.97 179.47 1nlj h ALA 124 N 1.25 0.28 -0.79 0.04 0.00 -0.70 0.26 119.26 119.61 1nlj h ALA 124 Ca 0.23 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1nlj h ALA 124 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1nlj h ALA 124 CO -0.10 -0.21 0.52 0.28 0.00 0.00 0.00 179.25 179.74 1nlj h VAL 125 N 0.27 1.04 0.23 0.00 2.07 -0.52 0.83 116.25 120.17 1nlj h VAL 125 Ca 0.08 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1nlj h VAL 125 Cb 0.02 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1nlj h VAL 125 CO -0.01 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.62 1nlj h ALA 126 N 1.57 -0.31 0.06 1.67 0.00 -0.13 -3.12 119.26 119.00 1nlj h ALA 126 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nlj h ALA 126 Cb 0.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nlj h ALA 126 CO -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 179.25 178.61 1nlj h ARG 127 N -0.67 -0.07 0.00 0.00 -0.00 -0.20 -3.42 114.38 110.02 1nlj h ARG 127 Ca -0.03 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1nlj h ARG 127 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.46 1nlj h ARG 127 CO 0.05 0.40 -0.04 0.28 0.00 0.00 0.00 179.97 180.66 1nlj h VAL 128 N -0.58 0.00 0.00 2.04 2.07 -1.00 -3.51 116.25 115.26 1nlj h VAL 128 Ca -0.01 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nlj h VAL 128 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1nlj h VAL 128 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1nlj n GLY 129 N 1.85 0.29 3.71 2.17 0.00 -1.18 -4.90 105.19 107.13 1nlj n GLY 129 Ca -0.01 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1nlj n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nlj n PRO 130 N 0.00 2.69 -5.05 1.61 -0.02 -1.26 -4.38 135.00 128.60 1nlj n PRO 130 Ca 0.00 0.97 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 1nlj n PRO 130 Cb 0.00 -2.80 -0.15 0.00 -0.02 0.00 0.00 33.50 30.53 1nlj n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nlj s VAL 131 N 1.02 2.60 0.04 -1.45 1.01 -0.04 -4.63 120.40 118.96 1nlj s VAL 131 Ca 0.74 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1nlj s VAL 131 Cb -0.53 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1nlj s VAL 131 CO 0.35 0.57 1.10 -0.44 0.00 0.00 0.00 175.10 176.67 1nlj s SER 132 N -0.30 7.22 0.09 3.32 0.01 -0.25 -0.25 113.70 123.53 1nlj s SER 132 Ca 0.01 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.17 1nlj s SER 132 Cb -0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1nlj s SER 132 CO 0.03 -0.36 -0.08 0.68 0.41 0.00 0.00 173.24 173.91 1nlj s VAL 133 N 0.96 0.76 0.05 3.43 -7.23 -0.78 -1.00 120.40 116.58 1nlj s VAL 133 Ca 0.55 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1nlj s VAL 133 Cb -0.26 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1nlj s VAL 133 CO 0.29 -0.69 -0.15 0.00 -0.31 0.00 0.00 175.10 174.24 1nlj s ALA 134 N -2.88 2.74 0.26 1.32 0.00 -1.22 -0.91 121.76 121.07 1nlj s ALA 134 Ca 0.06 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1nlj s ALA 134 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1nlj s ALA 134 CO -0.02 0.59 0.31 0.96 0.00 0.00 0.00 175.76 177.60 1nlj s ILE 135 N -1.00 0.00 -0.47 0.00 -4.36 0.41 -4.13 121.20 111.66 1nlj s ILE 135 Ca 0.16 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.61 1nlj s ILE 135 Cb -0.11 -2.46 0.05 0.00 1.25 0.00 0.00 42.46 41.19 1nlj s ILE 135 CO 0.07 0.00 0.46 -0.62 0.24 0.00 0.00 174.94 175.09 1nlj s ASP 136 N -3.18 6.17 -0.25 4.36 3.68 -0.81 -0.81 116.67 125.83 1nlj s ASP 136 Ca 0.34 -1.05 0.11 0.00 2.13 0.00 0.00 52.55 54.08 1nlj s ASP 136 Cb 0.03 -2.22 0.47 0.00 -1.45 0.00 0.00 42.92 39.75 1nlj s ASP 136 CO 0.16 -0.68 1.36 0.00 0.13 0.00 0.00 175.17 176.14 1nlj n ALA 137 N 5.53 3.90 -0.01 3.66 0.00 -1.26 -4.80 120.51 127.53 1nlj n ALA 137 Ca -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1nlj n ALA 137 Cb 0.45 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1nlj n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nlj n SER 138 N -1.11 0.00 -1.78 0.00 7.64 -1.26 -4.74 113.62 112.37 1nlj n SER 138 Ca 0.27 0.95 -0.23 0.00 1.01 0.00 0.00 58.87 60.87 1nlj n SER 138 Cb 0.89 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1nlj n SER 138 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nlj n LEU 139 N -1.98 -0.08 0.27 -3.43 4.32 -1.26 -4.79 117.00 110.06 1nlj n LEU 139 Ca 0.00 0.46 0.16 0.00 -0.02 0.00 0.00 56.01 56.61 1nlj n LEU 139 Cb 0.00 -0.37 0.74 0.00 -1.62 0.00 0.00 43.42 42.17 1nlj n LEU 139 CO 0.00 -0.83 0.98 0.71 -1.22 0.00 0.00 177.39 177.04 1nlj h THR 140 N 1.07 0.22 0.00 -5.08 1.35 -2.00 -1.42 112.91 107.05 1nlj h THR 140 Ca -0.19 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 1nlj h THR 140 Cb 0.57 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1nlj h THR 140 CO 0.25 0.07 -0.07 0.77 -0.25 0.00 0.00 175.52 176.28 1nlj h SER 141 N 0.00 0.00 0.09 5.36 4.64 -1.96 -0.77 113.55 120.92 1nlj h SER 141 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1nlj h SER 141 Cb 0.44 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1nlj h SER 141 CO 0.01 0.07 -1.12 0.15 -0.87 0.00 0.00 176.83 175.07 1nlj h PHE 142 N 0.00 0.96 -0.67 4.77 3.57 -1.58 -3.28 116.94 120.71 1nlj h PHE 142 Ca -0.00 -0.59 0.13 0.00 3.53 0.00 0.00 57.97 61.04 1nlj h PHE 142 Cb 0.14 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 1nlj h PHE 142 CO 0.00 1.43 0.19 0.37 -2.23 0.00 0.00 178.31 178.06 1nlj h GLN 143 N 0.22 0.31 -1.88 1.11 5.75 -0.99 -2.79 115.11 116.83 1nlj h GLN 143 Ca -0.17 -0.02 -0.66 0.00 -0.15 0.00 0.00 58.65 57.65 1nlj h GLN 143 Cb 1.80 -0.07 -0.36 0.00 1.07 0.00 0.00 27.48 29.92 1nlj h GLN 143 CO 0.22 0.20 -0.02 1.97 -2.65 0.00 0.00 178.83 178.55 1nlj n PHE 144 N -5.09 3.35 -2.79 3.99 -1.74 -0.97 -4.86 117.46 109.35 1nlj n PHE 144 Ca 0.11 -3.01 -0.35 0.00 -0.56 0.00 0.00 57.45 53.64 1nlj n PHE 144 Cb 0.37 -0.59 -0.07 0.00 1.52 0.00 0.00 39.48 40.71 1nlj n PHE 144 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1nlj s TYR 145 N -3.77 3.55 0.00 2.97 5.04 -1.06 -4.94 117.35 119.14 1nlj s TYR 145 Ca 0.48 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.83 1nlj s TYR 145 Cb 0.36 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.77 1nlj s TYR 145 CO -0.23 0.08 0.00 -1.13 -1.34 0.00 0.00 175.55 172.93 1nlj n SER 146 N 0.11 0.00 -3.61 4.32 3.41 -1.26 -3.26 113.62 113.33 1nlj n SER 146 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1nlj n SER 146 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1nlj n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nlj s LYS 147 N 0.00 0.36 0.32 4.33 -2.85 -1.26 -3.54 119.74 117.10 1nlj s LYS 147 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1nlj s LYS 147 Cb 0.00 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1nlj s LYS 147 CO 0.00 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1nlj n GLY 148 N -0.43 -2.48 3.34 0.59 0.00 -1.26 -4.72 105.19 100.23 1nlj n GLY 148 Ca -0.07 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 43.83 1nlj n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nlj s VAL 149 N -0.55 5.07 0.28 1.61 1.01 -1.26 -4.23 120.40 122.34 1nlj s VAL 149 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1nlj s VAL 149 Cb 0.00 -4.41 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 1nlj s VAL 149 CO 0.00 -0.98 1.40 0.00 0.00 0.00 0.00 175.10 175.52 1nlj n TYR 150 N 5.63 2.32 -3.54 5.22 9.36 0.44 -4.73 117.16 131.85 1nlj n TYR 150 Ca -0.11 0.45 -0.01 0.00 3.32 0.00 0.00 57.90 61.55 1nlj n TYR 150 Cb 0.41 -2.47 -0.05 0.00 -0.63 0.00 0.00 39.34 36.61 1nlj n TYR 150 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1nlj s TYR 151 N -0.40 -0.87 -0.17 2.98 5.04 -1.26 -1.40 117.35 121.26 1nlj s TYR 151 Ca 0.63 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.80 1nlj s TYR 151 Cb -0.60 0.52 0.05 0.00 0.35 0.00 0.00 41.96 42.29 1nlj s TYR 151 CO 0.54 -0.43 0.03 0.34 -1.34 0.00 0.00 175.55 174.69 1nlj s ASP 152 N 2.23 2.69 0.39 4.32 -1.08 -1.26 -4.99 116.67 118.97 1nlj s ASP 152 Ca -0.06 -0.70 0.14 0.00 -0.52 0.00 0.00 52.55 51.41 1nlj s ASP 152 Cb -0.07 -0.57 0.74 0.00 -1.46 0.00 0.00 42.92 41.56 1nlj s ASP 152 CO -0.18 -0.29 1.31 1.05 0.52 0.00 0.00 175.17 177.59 1nlj h GLU 153 N 8.26 0.00 0.00 4.34 -0.00 -2.03 0.45 114.58 125.60 1nlj h GLU 153 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 1nlj h GLU 153 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1nlj h GLU 153 CO 0.33 0.00 -0.32 0.43 -0.00 0.00 0.00 179.01 179.45 1nlj n SER 154 N -2.16 0.41 -4.71 3.06 7.64 -1.26 -4.91 113.62 111.69 1nlj n SER 154 Ca -0.01 0.14 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 1nlj n SER 154 Cb 0.41 -0.11 0.08 0.00 -1.01 0.00 0.00 64.21 63.58 1nlj n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nlj s ASN 156 N -1.50 3.93 0.25 0.00 2.47 -1.26 -4.76 114.94 114.07 1nlj s ASN 156 Ca 0.80 -1.35 0.18 0.00 0.42 0.00 0.00 52.86 52.91 1nlj s ASN 156 Cb -0.37 -1.15 0.93 0.00 -1.45 0.00 0.00 41.25 39.22 1nlj s ASN 156 CO 0.43 -0.29 1.54 -1.54 -3.72 0.00 0.00 177.10 173.52 1nlj n SER 157 N 4.67 0.45 -0.18 -4.21 3.41 -1.26 -0.42 113.62 116.08 1nlj n SER 157 Ca -0.08 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1nlj n SER 157 Cb 0.44 -0.77 0.27 0.00 -0.26 0.00 0.00 64.21 63.89 1nlj n SER 157 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nlj n ASP 158 N -2.10 0.98 -4.07 4.04 10.43 -1.26 -4.41 116.55 120.15 1nlj n ASP 158 Ca -0.01 -0.78 -0.35 0.00 2.57 0.00 0.00 54.79 56.23 1nlj n ASP 158 Cb 0.04 0.26 -0.08 0.00 1.84 0.00 0.00 41.12 43.19 1nlj n ASP 158 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1nlj s ASN 159 N -2.68 5.77 -0.30 -2.24 2.47 0.43 -5.03 114.94 113.36 1nlj s ASN 159 Ca 0.19 -3.74 -0.19 0.00 0.42 0.00 0.00 52.86 49.54 1nlj s ASN 159 Cb 0.18 -1.86 -0.01 0.00 -1.45 0.00 0.00 41.25 38.11 1nlj s ASN 159 CO 0.60 -0.17 0.57 -0.76 -3.72 0.00 0.00 177.10 173.62 1nlj s LEU 160 N -1.36 4.17 0.00 3.21 1.43 -1.26 -3.42 118.68 121.45 1nlj s LEU 160 Ca 0.27 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1nlj s LEU 160 Cb -0.07 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1nlj s LEU 160 CO -0.13 -0.42 0.00 -0.46 0.23 0.00 0.00 176.35 175.57 1nlj n ASN 161 N 5.75 0.00 -4.13 2.29 0.23 0.00 -4.93 115.26 114.47 1nlj n ASN 161 Ca -0.03 -0.24 -0.18 0.00 -0.53 0.00 0.00 54.58 53.61 1nlj n ASN 161 Cb 0.49 0.47 -0.12 0.00 -2.08 0.00 0.00 39.78 38.54 1nlj n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1nlj s HIS 162 N -0.47 1.07 -0.13 -2.53 5.04 -0.70 -4.97 115.29 112.60 1nlj s HIS 162 Ca 0.00 -0.42 0.02 0.00 -1.54 0.00 0.00 55.06 53.12 1nlj s HIS 162 Cb 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 32.58 32.00 1nlj s HIS 162 CO 0.00 0.02 -0.20 0.00 -2.34 0.00 0.00 174.74 172.22 1nlj s ALA 163 N -1.12 2.32 0.00 1.58 0.00 -1.26 -0.44 121.76 122.84 1nlj s ALA 163 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1nlj s ALA 163 Cb -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1nlj s ALA 163 CO 0.01 0.13 0.00 1.55 0.00 0.00 0.00 175.76 177.46 1nlj n VAL 164 N 3.78 0.00 -4.52 0.00 3.14 -0.09 -4.43 118.33 116.21 1nlj n VAL 164 Ca -0.19 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 60.94 1nlj n VAL 164 Cb 0.52 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.14 1nlj n VAL 164 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1nlj s LEU 165 N 0.00 1.61 -0.36 6.55 2.96 -1.18 -1.87 118.68 126.38 1nlj s LEU 165 Ca 0.00 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 1nlj s LEU 165 Cb 0.00 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.84 1nlj s LEU 165 CO 0.00 0.02 0.57 0.00 -1.32 0.00 0.00 176.35 175.61 1nlj s ALA 166 N 0.78 3.45 -1.67 5.97 0.00 0.65 -0.23 121.76 130.71 1nlj s ALA 166 Ca -0.12 -1.00 0.16 0.00 0.00 0.00 0.00 51.96 51.00 1nlj s ALA 166 Cb -0.15 -3.10 0.32 0.00 0.00 0.00 0.00 23.12 20.18 1nlj s ALA 166 CO 0.02 -1.34 1.23 0.28 0.00 0.00 0.00 175.76 175.96 1nlj n VAL 167 N 5.53 0.58 -1.75 0.00 0.31 0.44 -0.86 118.33 122.58 1nlj n VAL 167 Ca -0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1nlj n VAL 167 Cb 0.49 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 1nlj n VAL 167 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nlj n GLY 168 N 0.98 -1.91 3.42 2.92 0.00 -1.24 -1.59 105.19 107.78 1nlj n GLY 168 Ca 0.14 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1nlj n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nlj s TYR 169 N -2.47 -0.51 0.00 1.61 -0.85 -0.36 -0.46 117.35 114.31 1nlj s TYR 169 Ca 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1nlj s TYR 169 Cb 0.00 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1nlj s TYR 169 CO 0.00 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 1nlj n GLY 170 N -0.13 1.46 3.06 5.49 0.00 -0.92 -1.04 105.19 113.11 1nlj n GLY 170 Ca -0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1nlj n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nlj s ILE 171 N -0.59 0.17 0.00 -0.61 1.09 -1.26 -0.83 121.20 119.18 1nlj s ILE 171 Ca 0.00 -1.43 0.00 0.00 -1.10 0.00 0.00 60.65 58.12 1nlj s ILE 171 Cb 0.00 -1.03 0.00 0.00 -1.06 0.00 0.00 42.46 40.37 1nlj s ILE 171 CO 0.00 -0.79 0.00 1.67 -0.10 0.00 0.00 174.94 175.72 1nlj n GLN 172 N 0.67 0.00 -0.38 2.79 7.27 -0.02 -4.85 117.38 122.86 1nlj n GLN 172 Ca -0.18 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.86 1nlj n GLN 172 Cb 0.59 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.19 1nlj n GLN 172 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nlj n LYS 173 N 0.00 0.75 -1.46 3.69 4.01 -1.26 -3.96 118.16 119.93 1nlj n LYS 173 Ca 0.00 -0.26 -0.01 0.00 -0.51 0.00 0.00 58.31 57.54 1nlj n LYS 173 Cb 0.00 -1.51 -0.00 0.00 -0.51 0.00 0.00 35.03 33.01 1nlj n LYS 173 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nlj n GLY 174 N 2.27 0.39 3.18 0.72 0.00 -1.26 -5.02 105.19 105.46 1nlj n GLY 174 Ca 0.11 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1nlj n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nlj s ASN 175 N -2.98 4.93 0.41 1.61 0.02 -1.25 -5.09 114.94 112.58 1nlj s ASN 175 Ca 0.00 -1.30 -0.26 0.00 -1.02 0.00 0.00 52.86 50.28 1nlj s ASN 175 Cb 0.00 -1.73 -0.09 0.00 0.02 0.00 0.00 41.25 39.46 1nlj s ASN 175 CO 0.00 -0.28 1.31 -0.54 0.02 0.00 0.00 177.10 177.62 1nlj s LYS 176 N 1.26 3.92 0.36 -0.60 1.02 -1.26 -0.84 119.74 123.59 1nlj s LYS 176 Ca -0.04 2.17 -0.06 0.00 0.02 0.00 0.00 55.97 58.06 1nlj s LYS 176 Cb -0.20 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1nlj s LYS 176 CO -0.01 -0.54 0.57 -3.38 -0.92 0.00 0.00 175.35 171.07 1nlj s HIS 177 N -1.27 0.82 -0.02 3.18 -3.43 -0.01 -2.17 115.29 112.40 1nlj s HIS 177 Ca 0.58 -1.18 0.07 0.00 -0.80 0.00 0.00 55.06 53.73 1nlj s HIS 177 Cb -0.38 0.17 -0.02 0.00 -1.43 0.00 0.00 32.58 30.92 1nlj s HIS 177 CO 0.49 -1.27 -0.22 -1.58 -2.00 0.00 0.00 174.74 170.16 1nlj s TRP 178 N -2.79 2.01 -0.49 0.38 0.52 0.96 -2.16 118.94 117.36 1nlj s TRP 178 Ca 0.26 -0.40 -0.21 0.00 0.02 0.00 0.00 56.10 55.78 1nlj s TRP 178 Cb -0.02 -1.30 0.04 0.00 -1.15 0.00 0.00 33.47 31.05 1nlj s TRP 178 CO 0.18 -0.05 0.69 0.42 0.02 0.00 0.00 176.95 178.21 1nlj s ILE 179 N -0.49 4.77 -0.21 2.03 1.01 0.39 -1.53 121.20 127.17 1nlj s ILE 179 Ca 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 1nlj s ILE 179 Cb -0.09 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1nlj s ILE 179 CO -0.01 -0.78 0.10 -0.63 0.00 0.00 0.00 174.94 173.62 1nlj s ILE 180 N 2.93 4.96 -0.52 2.92 -1.09 0.08 -0.42 121.20 130.06 1nlj s ILE 180 Ca 0.20 0.04 -0.17 0.00 -2.23 0.00 0.00 60.65 58.49 1nlj s ILE 180 Cb -0.16 -3.28 0.09 0.00 -1.58 0.00 0.00 42.46 37.53 1nlj s ILE 180 CO 0.16 0.40 0.52 -0.75 -1.23 0.00 0.00 174.94 174.03 1nlj s LYS 181 N 0.80 3.02 0.77 2.79 2.20 0.68 -1.14 119.74 128.87 1nlj s LYS 181 Ca 0.05 -1.36 -0.08 0.00 -0.36 0.00 0.00 55.97 54.22 1nlj s LYS 181 Cb -0.13 -4.19 0.10 0.00 -1.51 0.00 0.00 37.83 32.09 1nlj s LYS 181 CO 0.02 -1.23 1.09 1.21 -0.36 0.00 0.00 175.35 176.09 1nlj s ASN 182 N 3.06 4.42 -0.36 1.43 2.47 -0.77 -3.12 114.94 122.07 1nlj s ASN 182 Ca 0.07 0.39 0.11 0.00 0.42 0.00 0.00 52.86 53.84 1nlj s ASN 182 Cb -0.25 -0.88 0.45 0.00 -1.45 0.00 0.00 41.25 39.12 1nlj s ASN 182 CO 0.07 -1.88 1.09 -1.54 -3.72 0.00 0.00 177.10 171.12 1nlj n SER 183 N -3.12 3.64 -2.01 -4.21 3.41 -1.26 -4.51 113.62 105.54 1nlj n SER 183 Ca 0.10 -3.29 -0.25 0.00 -0.26 0.00 0.00 58.87 55.17 1nlj n SER 183 Cb 0.60 -0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1nlj n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1nlj n TRP 184 N -0.45 2.71 -0.29 7.33 8.01 -1.16 -0.92 117.44 132.67 1nlj n TRP 184 Ca 0.29 -2.37 0.00 0.00 -1.31 0.00 0.00 57.50 54.11 1nlj n TRP 184 Cb 0.78 -0.63 -0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1nlj n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nlj n GLY 185 N -0.80 -3.02 0.33 6.99 0.00 -0.82 -3.91 105.19 103.95 1nlj n GLY 185 Ca 0.48 -1.22 0.20 0.00 0.00 0.00 0.00 46.02 45.47 1nlj n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nlj h GLU 186 N 0.02 0.00 -0.58 1.61 5.08 -1.84 -2.54 114.58 116.33 1nlj h GLU 186 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1nlj h GLU 186 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1nlj h GLU 186 CO 0.00 0.00 0.12 -0.97 -1.00 0.00 0.00 179.01 177.16 1nlj h ASN 187 N 0.00 0.86 -4.23 1.42 -0.00 -1.88 -1.86 115.58 109.90 1nlj h ASN 187 Ca 0.01 -0.17 -0.51 0.00 -0.00 0.00 0.00 56.30 55.62 1nlj h ASN 187 Cb 0.10 -0.23 0.11 0.00 -0.00 0.00 0.00 38.32 38.30 1nlj h ASN 187 CO -0.00 0.85 0.36 0.86 -0.00 0.00 0.00 177.43 179.50 1nlj s TRP 188 N -5.20 2.59 0.00 0.67 -0.00 -0.95 -4.74 118.94 111.30 1nlj s TRP 188 Ca -0.10 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1nlj s TRP 188 Cb 0.15 -3.15 0.00 0.00 -0.00 0.00 0.00 33.47 30.47 1nlj s TRP 188 CO 0.82 -1.75 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 1nlj n GLY 189 N -0.66 0.19 3.57 5.86 0.00 -1.20 0.04 105.19 113.00 1nlj n GLY 189 Ca 0.10 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1nlj n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nlj s ASN 190 N -3.69 4.97 -1.30 1.61 3.84 -0.94 -3.70 114.94 115.73 1nlj s ASN 190 Ca 0.00 -1.29 -0.04 0.00 0.21 0.00 0.00 52.86 51.74 1nlj s ASN 190 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1nlj s ASN 190 CO 0.00 -3.07 0.52 1.17 -2.79 0.00 0.00 177.10 172.93 1nlj n LYS 191 N 8.47 -4.14 0.00 0.43 4.81 -1.22 -2.32 118.16 124.19 1nlj n LYS 191 Ca 0.43 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 1nlj n LYS 191 Cb 0.47 -5.31 0.00 0.00 0.02 0.00 0.00 35.03 30.21 1nlj n LYS 191 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nlj n GLY 192 N -1.41 3.33 3.99 3.14 0.00 0.11 -4.66 105.19 109.69 1nlj n GLY 192 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1nlj n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nlj s TYR 193 N -2.47 2.98 -0.20 1.61 1.51 -0.98 -1.84 117.35 117.96 1nlj s TYR 193 Ca 0.00 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.72 1nlj s TYR 193 Cb 0.00 -2.33 0.05 0.00 -0.11 0.00 0.00 41.96 39.58 1nlj s TYR 193 CO 0.00 -0.38 0.53 -1.50 -1.11 0.00 0.00 175.55 173.10 1nlj s ILE 194 N -2.41 -0.00 -0.21 2.71 2.07 -0.29 -2.21 121.20 120.86 1nlj s ILE 194 Ca 0.51 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.63 1nlj s ILE 194 Cb -0.10 -0.75 -0.05 0.00 0.13 0.00 0.00 42.46 41.70 1nlj s ILE 194 CO 0.34 0.00 0.26 -0.76 -1.91 0.00 0.00 174.94 172.87 1nlj s LEU 195 N 0.35 4.16 0.08 8.50 1.02 -1.26 -0.74 118.68 130.78 1nlj s LEU 195 Ca -0.01 0.32 0.08 0.00 0.02 0.00 0.00 54.13 54.54 1nlj s LEU 195 Cb -0.04 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.85 1nlj s LEU 195 CO -0.00 0.03 -0.18 -0.04 0.02 0.00 0.00 176.35 176.18 1nlj s MET 196 N 1.00 1.93 0.18 1.70 -1.94 -0.58 -0.42 119.30 121.17 1nlj s MET 196 Ca 0.13 -1.08 -0.33 0.00 -1.71 0.00 0.00 55.69 52.70 1nlj s MET 196 Cb -0.14 -2.16 -0.15 0.00 2.01 0.00 0.00 34.83 34.40 1nlj s MET 196 CO 0.05 0.51 1.30 0.00 -0.01 0.00 0.00 175.02 176.87 1nlj n ALA 197 N 1.16 -0.03 -2.47 3.03 0.00 -0.49 -0.03 120.51 121.68 1nlj n ALA 197 Ca -0.16 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1nlj n ALA 197 Cb 0.52 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.72 1nlj n ALA 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nlj s ARG 198 N -0.17 1.76 -1.30 0.00 3.52 -0.92 -4.55 118.95 117.28 1nlj s ARG 198 Ca 0.73 -1.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1nlj s ARG 198 Cb -0.79 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1nlj s ARG 198 CO 0.49 0.48 0.00 0.09 -0.81 0.00 0.00 175.30 175.56 1nlj n ASN 199 N 0.92 -4.13 -3.07 -2.12 5.03 -1.26 -4.73 115.26 105.91 1nlj n ASN 199 Ca -0.16 0.21 -0.34 0.00 0.87 0.00 0.00 54.58 55.16 1nlj n ASN 199 Cb 0.53 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.70 1nlj n ASN 199 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nlj n LYS 200 N -2.55 3.87 -3.66 3.52 5.02 -1.26 -4.83 118.16 118.27 1nlj n LYS 200 Ca -0.16 -4.45 -0.24 0.00 -2.02 0.00 0.00 58.31 51.44 1nlj n LYS 200 Cb 0.57 -2.32 0.07 0.00 -0.02 0.00 0.00 35.03 33.33 1nlj n LYS 200 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nlj n ASN 201 N -0.30 -5.05 -3.46 4.39 3.02 -1.26 -3.03 115.26 109.57 1nlj n ASN 201 Ca 0.42 -0.63 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1nlj n ASN 201 Cb 0.37 -4.70 0.03 0.00 -0.61 0.00 0.00 39.78 34.86 1nlj n ASN 201 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nlj n ASN 202 N -2.99 -6.14 -4.71 6.41 5.15 -1.26 -4.85 115.26 106.86 1nlj n ASN 202 Ca -0.05 -0.70 -0.42 0.00 -0.60 0.00 0.00 54.58 52.81 1nlj n ASN 202 Cb 0.57 -3.90 -0.03 0.00 -0.53 0.00 0.00 39.78 35.89 1nlj n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nlj s ALA 203 N -3.24 3.79 -1.14 5.20 0.00 -1.17 -2.01 121.76 123.18 1nlj s ALA 203 Ca 0.26 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1nlj s ALA 203 Cb -0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1nlj s ALA 203 CO 0.82 -0.90 0.00 0.00 0.00 0.00 0.00 175.76 175.68 1nlj n GLY 205 N -0.50 0.05 0.51 0.00 0.00 -0.85 -1.92 105.19 102.47 1nlj n GLY 205 Ca -0.11 -0.21 0.34 0.00 0.00 0.00 0.00 46.02 46.04 1nlj n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nlj h ILE 206 N 0.00 0.38 -0.30 -0.61 6.09 -1.67 -0.81 117.51 120.59 1nlj h ILE 206 Ca -0.38 -0.03 -0.04 0.00 -1.37 0.00 0.00 64.86 63.04 1nlj h ILE 206 Cb 1.25 0.28 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1nlj h ILE 206 CO 0.46 0.02 0.01 0.00 -3.07 0.00 0.00 178.15 175.56 1nlj n ALA 207 N -2.70 3.27 0.27 0.18 0.00 -1.26 -4.45 120.51 115.82 1nlj n ALA 207 Ca 0.28 -2.44 0.12 0.00 0.00 0.00 0.00 53.44 51.39 1nlj n ALA 207 Cb 1.24 -0.75 0.08 0.00 0.00 0.00 0.00 19.45 20.02 1nlj n ALA 207 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1nlj h ASN 208 N 1.71 0.00 -0.76 0.00 4.21 -1.41 0.45 115.58 119.78 1nlj h ASN 208 Ca 0.05 -0.06 -0.33 0.00 1.21 0.00 0.00 56.30 57.16 1nlj h ASN 208 Cb 1.53 0.00 -0.25 0.00 -1.12 0.00 0.00 38.32 38.48 1nlj h ASN 208 CO 0.28 0.03 -0.73 -0.11 -1.29 0.00 0.00 177.43 175.61 1nlj n LEU 209 N -2.56 -1.11 -4.87 1.61 7.94 -1.26 -4.66 117.00 112.08 1nlj n LEU 209 Ca 0.02 -4.19 -0.31 0.00 -1.11 0.00 0.00 56.01 50.41 1nlj n LEU 209 Cb 0.51 0.84 -0.05 0.00 0.53 0.00 0.00 43.42 45.25 1nlj n LEU 209 CO 0.38 2.15 -0.19 0.00 -1.11 0.00 0.00 177.39 178.62 1nlj s ALA 210 N -0.78 3.86 0.09 1.96 0.00 -1.26 -3.45 121.76 122.19 1nlj s ALA 210 Ca 0.29 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 1nlj s ALA 210 Cb 0.32 -1.72 0.08 0.00 0.00 0.00 0.00 23.12 21.79 1nlj s ALA 210 CO -0.06 0.79 0.88 -1.54 0.00 0.00 0.00 175.76 175.82 1nlj s SER 211 N -2.33 -0.30 0.02 0.00 1.04 -0.17 -1.63 113.70 110.32 1nlj s SER 211 Ca 0.31 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1nlj s SER 211 Cb -0.13 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1nlj s SER 211 CO 0.24 -0.82 0.09 0.72 0.98 0.00 0.00 173.24 174.45 1nlj s PHE 212 N -3.30 0.16 0.45 5.02 -0.71 -0.82 -1.09 117.98 117.69 1nlj s PHE 212 Ca 0.08 -0.39 -0.10 0.00 -1.04 0.00 0.00 56.93 55.48 1nlj s PHE 212 Cb -0.01 -0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.62 1nlj s PHE 212 CO -0.04 -0.31 0.81 -1.25 -1.34 0.00 0.00 175.22 173.09 1nlj s PRO 213 N -2.03 3.72 0.01 1.99 0.04 -1.26 -1.45 135.00 136.02 1nlj s PRO 213 Ca -0.10 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 1nlj s PRO 213 Cb -0.05 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1nlj s PRO 213 CO -0.02 -0.15 0.19 0.15 0.04 0.00 0.00 177.00 177.22 1nlj s LYS 214 N -4.20 3.45 0.00 4.56 1.02 0.74 -4.87 119.74 120.43 1nlj s LYS 214 Ca 0.51 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1nlj s LYS 214 Cb -0.10 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1nlj s LYS 214 CO 0.37 0.65 0.00 -0.12 -0.92 0.00 0.00 175.35 175.33