#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nr4 s LEU 10 N 0.00 2.12 0.81 0.99 1.43 -1.26 -5.01 118.68 117.76 3nr4 s LEU 10 Ca 0.00 -1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 51.35 3nr4 s LEU 10 Cb 0.00 -0.32 0.08 0.00 0.03 0.00 0.00 46.19 45.98 3nr4 s LEU 10 CO 0.00 -0.87 1.09 0.42 0.23 0.00 0.00 176.35 177.22 3nr4 s THR 11 N -3.11 3.02 0.17 5.49 -4.23 -1.26 -4.87 115.64 110.85 3nr4 s THR 11 Ca 0.20 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 3nr4 s THR 11 Cb 0.03 -3.02 0.06 0.00 1.34 0.00 0.00 72.50 70.91 3nr4 s THR 11 CO 0.12 -0.43 1.84 0.44 -0.54 0.00 0.00 174.62 176.04 3nr4 h ASP 12 N -1.17 0.59 -0.87 3.99 3.32 -2.01 -2.02 116.42 118.25 3nr4 h ASP 12 Ca -0.47 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3nr4 h ASP 12 Cb 1.27 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3nr4 h ASP 12 CO 0.58 0.43 0.45 -0.08 -1.72 0.00 0.00 179.24 178.90 3nr4 h GLU 13 N 0.70 1.23 -0.58 3.56 4.57 -2.00 -2.36 114.58 119.70 3nr4 h GLU 13 Ca 0.19 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3nr4 h GLU 13 Cb -0.08 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.26 3nr4 h GLU 13 CO -0.04 0.92 0.04 0.93 -1.18 0.00 0.00 179.01 179.68 3nr4 h GLU 14 N 1.23 0.98 -0.49 1.92 5.08 -1.84 -1.94 114.58 119.51 3nr4 h GLU 14 Ca 0.30 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3nr4 h GLU 14 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3nr4 h GLU 14 CO -0.04 0.94 -0.11 1.96 -1.00 0.00 0.00 179.01 180.76 3nr4 h GLN 15 N 0.91 0.95 -0.52 2.33 4.20 -1.10 -0.60 115.11 121.28 3nr4 h GLN 15 Ca 0.17 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 3nr4 h GLN 15 Cb 0.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3nr4 h GLN 15 CO 0.02 1.02 0.12 0.87 -0.67 0.00 0.00 178.83 180.20 3nr4 h LYS 16 N 0.80 0.84 -0.18 1.46 6.56 -1.33 -1.59 116.57 123.13 3nr4 h LYS 16 Ca 0.13 -0.20 -0.05 0.00 -1.06 0.00 0.00 60.65 59.46 3nr4 h LYS 16 Cb 0.66 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 3nr4 h LYS 16 CO 0.05 0.80 -0.12 1.15 -2.06 0.00 0.00 179.45 179.27 3nr4 h THR 17 N 0.73 1.18 -0.18 -0.16 2.02 -1.15 -3.06 112.91 112.29 3nr4 h THR 17 Ca 0.16 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3nr4 h THR 17 Cb 0.34 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3nr4 h THR 17 CO 0.00 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.33 3nr4 n LEU 18 N -4.27 2.65 -0.09 2.58 4.77 -0.25 -4.47 117.00 117.93 3nr4 n LEU 18 Ca -0.00 -1.03 -0.10 0.00 -0.03 0.00 0.00 56.01 54.85 3nr4 n LEU 18 Cb 0.27 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3nr4 n LEU 18 CO 0.38 0.51 0.88 -0.08 -1.33 0.00 0.00 177.39 177.75 3nr4 h GLU 19 N 3.75 0.42 -0.14 3.23 4.81 -1.19 -1.40 114.58 124.06 3nr4 h GLU 19 Ca 0.00 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3nr4 h GLU 19 Cb 0.81 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 3nr4 h GLU 19 CO 0.00 0.45 -0.25 -1.00 -0.73 0.00 0.00 179.01 177.48 3nr4 h PRO 20 N 0.30 -0.30 -0.83 0.92 0.13 -1.80 -1.79 132.00 128.62 3nr4 h PRO 20 Ca 0.09 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3nr4 h PRO 20 Cb 0.19 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.35 3nr4 h PRO 20 CO -0.01 -0.20 0.52 -0.24 -0.23 0.00 0.00 178.00 177.85 3nr4 h VAL 21 N -0.31 1.22 -0.47 1.56 3.04 -1.80 -1.08 116.25 118.42 3nr4 h VAL 21 Ca 0.10 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3nr4 h VAL 21 Cb 0.47 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 3nr4 h VAL 21 CO -0.32 0.23 0.27 0.40 -1.01 0.00 0.00 177.57 177.14 3nr4 h ILE 22 N 1.14 1.15 0.00 3.17 2.04 -1.06 -1.03 117.51 122.92 3nr4 h ILE 22 Ca 0.30 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3nr4 h ILE 22 Cb -0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3nr4 h ILE 22 CO -0.06 0.16 -0.29 0.11 0.00 0.00 0.00 178.15 178.06 3nr4 h LYS 23 N 0.62 0.00 0.07 2.37 1.79 -0.46 -0.78 116.57 120.18 3nr4 h LYS 23 Ca 0.17 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.45 3nr4 h LYS 23 Cb 0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3nr4 h LYS 23 CO -0.03 0.29 -0.97 1.15 -1.08 0.00 0.00 179.45 178.81 3nr4 h THR 24 N 0.00 1.26 0.00 -0.16 2.02 -1.03 -3.43 112.91 111.58 3nr4 h THR 24 Ca -0.00 -2.37 -0.05 0.00 0.77 0.00 0.00 66.41 64.75 3nr4 h THR 24 Cb 0.60 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.86 3nr4 h THR 24 CO 0.04 0.61 -1.53 -1.22 0.37 0.00 0.00 175.52 173.79 3nr4 n TYR 25 N -4.21 0.00 -1.52 3.16 4.01 -0.41 -4.71 117.16 113.48 3nr4 n TYR 25 Ca -0.21 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.54 3nr4 n TYR 25 Cb 0.75 -0.31 0.20 0.00 -0.31 0.00 0.00 39.34 39.68 3nr4 n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3nr4 n HIS 26 N -2.01 0.50 -2.99 -0.72 8.25 -0.30 -4.89 115.22 113.05 3nr4 n HIS 26 Ca -0.06 -1.54 -0.40 0.00 -0.26 0.00 0.00 57.72 55.46 3nr4 n HIS 26 Cb 0.44 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 3nr4 n HIS 26 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3nr4 s GLN 27 N -3.24 4.47 0.36 -0.41 2.00 -1.21 -4.92 119.66 116.71 3nr4 s GLN 27 Ca 0.41 1.00 0.07 0.00 -2.00 0.00 0.00 55.36 54.84 3nr4 s GLN 27 Cb 0.38 -3.42 -0.01 0.00 0.80 0.00 0.00 33.01 30.76 3nr4 s GLN 27 CO -0.04 0.11 0.41 -0.59 -0.50 0.00 0.00 175.29 174.69 3nr4 s PHE 28 N 0.58 2.92 -0.30 1.67 -0.12 -1.26 -5.11 117.98 116.36 3nr4 s PHE 28 Ca 0.40 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 3nr4 s PHE 28 Cb -0.19 -2.02 0.09 0.00 -0.63 0.00 0.00 43.02 40.27 3nr4 s PHE 28 CO 0.21 -0.03 0.04 -1.83 -0.05 0.00 0.00 175.22 173.55 3nr4 s GLU 29 N -4.13 1.26 0.29 1.99 1.03 -1.26 -5.11 118.70 112.77 3nr4 s GLU 29 Ca 0.46 -1.34 -0.25 0.00 0.03 0.00 0.00 54.97 53.87 3nr4 s GLU 29 Cb -0.07 -2.61 -0.16 0.00 -0.80 0.00 0.00 34.13 30.49 3nr4 s GLU 29 CO 0.29 -0.86 0.44 -2.30 -1.33 0.00 0.00 175.26 171.51 3nr4 n PRO 30 N 4.58 0.18 -3.59 -4.83 -0.02 -1.26 -5.00 135.00 125.06 3nr4 n PRO 30 Ca -0.03 0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.49 3nr4 n PRO 30 Cb 0.43 -1.13 -0.06 0.00 -0.02 0.00 0.00 33.50 32.72 3nr4 n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3nr4 s ASP 31 N -0.96 -0.72 0.59 2.55 -1.08 -1.26 -5.03 116.67 110.76 3nr4 s ASP 31 Ca 0.62 1.08 0.33 0.00 -0.52 0.00 0.00 52.55 54.07 3nr4 s ASP 31 Cb -0.79 1.51 1.83 0.00 -1.46 0.00 0.00 42.92 44.01 3nr4 s ASP 31 CO 0.59 -0.16 2.20 -0.65 0.52 0.00 0.00 175.17 177.66 3nr4 h PRO 32 N 6.88 0.00 -0.01 4.34 0.11 -2.03 -2.98 132.00 138.31 3nr4 h PRO 32 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3nr4 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nr4 h PRO 32 CO 0.15 0.04 -0.82 0.25 -0.21 0.00 0.00 178.00 177.41 3nr4 n THR 33 N -3.49 0.00 -4.47 -1.15 -2.24 -1.26 -4.94 114.28 96.73 3nr4 n THR 33 Ca -0.02 -0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 3nr4 n THR 33 Cb 0.15 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 3nr4 n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3nr4 s THR 34 N -2.82 2.03 0.10 4.28 -4.23 -1.13 -0.90 115.64 112.97 3nr4 s THR 34 Ca 0.12 -2.22 0.09 0.00 -1.18 0.00 0.00 61.69 58.49 3nr4 s THR 34 Cb 0.17 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 3nr4 s THR 34 CO 0.77 -0.32 -0.22 0.00 -0.54 0.00 0.00 174.62 174.30 3nr4 s THR 36 N -1.12 1.25 -0.15 0.00 -4.23 -1.26 -2.37 115.64 107.75 3nr4 s THR 36 Ca 0.08 -2.08 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3nr4 s THR 36 Cb -0.10 -1.87 0.12 0.00 1.34 0.00 0.00 72.50 71.99 3nr4 s THR 36 CO 0.04 -0.72 0.94 -0.55 -0.54 0.00 0.00 174.62 173.79 3nr4 s SER 37 N -3.18 -0.43 -0.18 3.99 0.15 -1.18 -5.00 113.70 107.87 3nr4 s SER 37 Ca 0.17 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.29 3nr4 s SER 37 Cb 0.02 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3nr4 s SER 37 CO 0.01 -0.37 -0.02 -0.22 1.20 0.00 0.00 173.24 173.84 3nr4 s LEU 38 N -1.00 3.23 -0.05 3.45 2.96 -1.26 -1.95 118.68 124.07 3nr4 s LEU 38 Ca -0.03 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3nr4 s LEU 38 Cb -0.01 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3nr4 s LEU 38 CO 0.03 0.12 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.39 3nr4 s ILE 39 N 0.68 2.99 0.16 6.68 -1.09 0.39 -4.98 121.20 126.02 3nr4 s ILE 39 Ca -0.01 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3nr4 s ILE 39 Cb -0.14 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3nr4 s ILE 39 CO 0.02 0.59 -0.18 0.42 -1.23 0.00 0.00 174.94 174.57 3nr4 s THR 40 N -0.71 1.75 -0.19 2.92 -4.23 -1.26 -1.08 115.64 112.84 3nr4 s THR 40 Ca 0.11 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.65 3nr4 s THR 40 Cb -0.11 -1.81 0.09 0.00 1.34 0.00 0.00 72.50 72.01 3nr4 s THR 40 CO 0.00 -0.34 0.41 -1.58 -0.54 0.00 0.00 174.62 172.57 3nr4 s GLN 41 N -2.80 0.32 -0.12 3.99 2.00 -0.55 -5.00 119.66 117.49 3nr4 s GLN 41 Ca 0.15 0.99 -0.20 0.00 -2.00 0.00 0.00 55.36 54.29 3nr4 s GLN 41 Cb -0.05 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 3nr4 s GLN 41 CO 0.06 -0.24 0.57 0.50 -0.50 0.00 0.00 175.29 175.68 3nr4 s ARG 42 N 2.46 4.35 -0.10 1.67 3.52 -1.26 -0.81 118.95 128.79 3nr4 s ARG 42 Ca -0.02 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 3nr4 s ARG 42 Cb -0.12 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3nr4 s ARG 42 CO -0.12 0.06 -0.13 0.42 -0.81 0.00 0.00 175.30 174.72 3nr4 s ILE 43 N 0.90 1.28 -1.37 4.11 1.01 0.97 -4.99 121.20 123.12 3nr4 s ILE 43 Ca 0.30 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 3nr4 s ILE 43 Cb -0.16 -1.19 0.09 0.00 0.01 0.00 0.00 42.46 41.21 3nr4 s ILE 43 CO 0.13 0.40 2.02 1.41 0.00 0.00 0.00 174.94 178.90 3nr4 n HIS 44 N 4.24 3.57 -3.47 3.97 8.25 -1.26 -0.26 115.22 130.26 3nr4 n HIS 44 Ca -0.19 -2.93 -0.11 0.00 -0.26 0.00 0.00 57.72 54.23 3nr4 n HIS 44 Cb 0.51 -2.36 -0.03 0.00 1.12 0.00 0.00 29.99 29.23 3nr4 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nr4 s ALA 45 N 2.37 -1.73 0.64 -1.41 0.00 -1.26 -4.82 121.76 115.55 3nr4 s ALA 45 Ca 0.45 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 3nr4 s ALA 45 Cb 0.11 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3nr4 s ALA 45 CO -0.04 -0.65 1.15 -2.14 0.00 0.00 0.00 175.76 174.08 3nr4 s PRO 46 N -3.00 2.77 0.48 0.00 0.02 -1.26 -3.15 135.00 130.86 3nr4 s PRO 46 Ca 0.01 1.60 0.23 0.00 0.02 0.00 0.00 61.00 62.85 3nr4 s PRO 46 Cb -0.01 -1.93 1.23 0.00 0.02 0.00 0.00 34.50 33.82 3nr4 s PRO 46 CO -0.08 -1.31 2.01 0.00 -0.33 0.00 0.00 177.00 177.29 3nr4 h ALA 47 N 0.31 1.36 0.00 -1.55 0.00 -1.93 -1.57 119.26 115.88 3nr4 h ALA 47 Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3nr4 h ALA 47 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3nr4 h ALA 47 CO 0.54 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.66 3nr4 h SER 48 N 0.00 0.00 0.07 0.00 4.64 -2.00 0.91 113.55 117.17 3nr4 h SER 48 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3nr4 h SER 48 Cb 0.40 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.44 3nr4 h SER 48 CO 0.02 0.00 -2.29 0.52 -0.87 0.00 0.00 176.83 174.22 3nr4 n VAL 49 N -2.94 1.54 0.03 0.95 0.31 -0.63 -4.43 118.33 113.16 3nr4 n VAL 49 Ca -0.01 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 3nr4 n VAL 49 Cb 0.17 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 3nr4 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3nr4 h VAL 50 N 0.01 1.17 -0.65 2.52 2.07 -1.10 -3.36 116.25 116.90 3nr4 h VAL 50 Ca -0.51 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.18 3nr4 h VAL 50 Cb 2.02 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 33.48 3nr4 h VAL 50 CO -0.01 0.23 0.26 -0.25 0.02 0.00 0.00 177.57 177.82 3nr4 h TRP 51 N -0.53 0.45 -0.24 1.57 2.91 -1.06 -2.46 115.95 116.59 3nr4 h TRP 51 Ca -0.01 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.09 3nr4 h TRP 51 Cb 0.45 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 3nr4 h TRP 51 CO 0.06 0.11 0.17 -1.35 -1.03 0.00 0.00 178.44 176.40 3nr4 h PRO 52 N 0.44 0.08 -0.53 2.65 0.11 -1.77 0.11 132.00 133.09 3nr4 h PRO 52 Ca 0.33 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.33 3nr4 h PRO 52 Cb 0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3nr4 h PRO 52 CO -0.32 0.05 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.35 3nr4 h LEU 53 N 0.08 0.98 -0.19 2.35 3.38 -1.61 -2.34 115.31 117.95 3nr4 h LEU 53 Ca 0.11 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 3nr4 h LEU 53 Cb 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3nr4 h LEU 53 CO -0.01 1.09 -0.49 0.40 0.09 0.00 0.00 178.44 179.52 3nr4 h ILE 54 N 0.88 1.32 0.00 1.22 2.04 -1.41 -3.33 117.51 118.23 3nr4 h ILE 54 Ca 0.14 -1.72 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 3nr4 h ILE 54 Cb 0.65 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3nr4 h ILE 54 CO 0.05 0.54 -0.36 -0.09 0.00 0.00 0.00 178.15 178.28 3nr4 h ARG 55 N 0.35 0.00 -6.10 2.37 9.65 -0.68 -3.39 114.38 116.58 3nr4 h ARG 55 Ca -0.01 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 3nr4 h ARG 55 Cb 1.10 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.59 3nr4 h ARG 55 CO 0.11 0.36 1.35 0.50 2.80 0.00 0.00 179.97 185.09 3nr4 s ARG 56 N -3.94 3.40 0.39 0.20 6.06 -0.89 -4.84 118.95 119.33 3nr4 s ARG 56 Ca -0.02 -0.87 0.17 0.00 -2.50 0.00 0.00 55.73 52.51 3nr4 s ARG 56 Cb 0.13 -5.15 0.81 0.00 0.06 0.00 0.00 34.95 30.80 3nr4 s ARG 56 CO 0.69 -2.34 1.82 0.35 -2.50 0.00 0.00 175.30 173.33 3nr4 h PHE 57 N 10.10 0.00 -0.02 5.12 3.57 -1.81 -2.40 116.94 131.49 3nr4 h PHE 57 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3nr4 h PHE 57 Cb 1.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3nr4 h PHE 57 CO 1.25 0.35 0.00 -0.40 -2.23 0.00 0.00 178.31 177.28 3nr4 n ASP 58 N -3.80 0.34 -2.84 0.41 3.85 -1.26 -4.28 116.55 108.96 3nr4 n ASP 58 Ca -0.01 -1.33 -0.19 0.00 -0.71 0.00 0.00 54.79 52.54 3nr4 n ASP 58 Cb 0.43 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.18 3nr4 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3nr4 n ASN 59 N -0.63 2.54 0.24 -1.12 4.05 -0.90 -4.65 115.26 114.79 3nr4 n ASN 59 Ca 0.18 -3.20 0.17 0.00 0.45 0.00 0.00 54.58 52.17 3nr4 n ASN 59 Cb 0.14 -0.55 0.72 0.00 1.23 0.00 0.00 39.78 41.32 3nr4 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3nr4 h PRO 60 N 2.91 0.00 -0.22 1.20 0.13 -1.76 -2.81 132.00 131.45 3nr4 h PRO 60 Ca 0.09 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3nr4 h PRO 60 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3nr4 h PRO 60 CO 0.64 0.00 0.15 0.93 -0.23 0.00 0.00 178.00 179.49 3nr4 h GLU 61 N 0.00 0.09 -0.55 0.86 3.07 -1.90 -1.95 114.58 114.19 3nr4 h GLU 61 Ca 0.00 -0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.01 3nr4 h GLU 61 Cb 0.36 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3nr4 h GLU 61 CO 0.00 0.06 0.40 0.00 -1.40 0.00 0.00 179.01 178.06 3nr4 h ARG 62 N 0.09 0.00 0.00 2.33 3.08 -1.89 -3.17 114.38 114.82 3nr4 h ARG 62 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3nr4 h ARG 62 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3nr4 h ARG 62 CO -0.01 0.00 -0.16 2.48 -1.07 0.00 0.00 179.97 181.21 3nr4 n TYR 63 N -4.36 0.00 -5.01 3.04 0.18 -0.85 -4.80 117.16 105.36 3nr4 n TYR 63 Ca 0.10 -0.18 -0.27 0.00 1.88 0.00 0.00 57.90 59.43 3nr4 n TYR 63 Cb 0.63 -0.04 -0.16 0.00 -0.38 0.00 0.00 39.34 39.39 3nr4 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3nr4 s LYS 64 N -0.44 1.73 0.65 -3.48 1.02 -0.79 -4.03 119.74 114.39 3nr4 s LYS 64 Ca 0.03 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.20 3nr4 s LYS 64 Cb 0.03 -1.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 3nr4 s LYS 64 CO 0.00 0.42 1.00 -1.01 -0.92 0.00 0.00 175.35 174.85 3nr4 s HIS 65 N -0.42 3.27 -1.16 3.18 3.76 -1.26 -4.37 115.29 118.29 3nr4 s HIS 65 Ca 0.06 0.82 -0.02 0.00 -0.15 0.00 0.00 55.06 55.77 3nr4 s HIS 65 Cb -0.09 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.68 3nr4 s HIS 65 CO -0.00 -1.03 0.29 1.19 -0.85 0.00 0.00 174.74 174.34 3nr4 n PHE 66 N -2.81 -1.17 -3.81 1.40 3.72 -1.26 -5.00 117.46 108.53 3nr4 n PHE 66 Ca 0.06 0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 57.46 3nr4 n PHE 66 Cb 0.58 -3.38 -0.17 0.00 -0.94 0.00 0.00 39.48 35.57 3nr4 n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3nr4 s VAL 67 N -2.91 0.64 -0.19 -4.37 1.01 -1.26 -2.37 120.40 110.95 3nr4 s VAL 67 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3nr4 s VAL 67 Cb -0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 36.38 35.27 3nr4 s VAL 67 CO 0.18 0.18 0.10 2.29 0.00 0.00 0.00 175.10 177.86 3nr4 n LYS 68 N 5.05 0.69 -3.74 2.72 0.00 -0.34 -4.90 118.16 117.64 3nr4 n LYS 68 Ca -0.09 0.27 -0.10 0.00 -0.00 0.00 0.00 58.31 58.39 3nr4 n LYS 68 Cb 0.49 -1.64 -0.06 0.00 -0.00 0.00 0.00 35.03 33.82 3nr4 n LYS 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3nr4 s ARG 69 N -2.52 0.94 -0.12 -1.58 1.70 -1.25 -5.00 118.95 111.11 3nr4 s ARG 69 Ca -0.28 -0.78 -0.21 0.00 -0.47 0.00 0.00 55.73 53.98 3nr4 s ARG 69 Cb 0.08 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 34.91 3nr4 s ARG 69 CO 0.67 -0.33 0.52 0.00 -1.08 0.00 0.00 175.30 175.08 3nr4 s ARG 71 N -0.43 0.87 0.01 0.00 1.70 -0.93 -4.98 118.95 115.20 3nr4 s ARG 71 Ca -0.06 -0.43 -0.26 0.00 -0.47 0.00 0.00 55.73 54.52 3nr4 s ARG 71 Cb -0.03 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 3nr4 s ARG 71 CO 0.04 -0.29 0.80 -0.51 -1.08 0.00 0.00 175.30 174.26 3nr4 s LEU 72 N -2.04 4.40 0.00 -1.89 1.43 -1.26 -0.98 118.68 118.34 3nr4 s LEU 72 Ca -0.05 1.44 0.16 0.00 -1.03 0.00 0.00 54.13 54.65 3nr4 s LEU 72 Cb -0.01 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 3nr4 s LEU 72 CO -0.03 -0.08 0.77 2.30 0.23 0.00 0.00 176.35 179.55 3nr4 n ILE 73 N 3.27 0.00 -3.63 -0.59 -5.35 -0.15 -4.92 119.36 107.99 3nr4 n ILE 73 Ca -0.00 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 3nr4 n ILE 73 Cb 0.51 1.10 -0.07 0.00 -1.74 0.00 0.00 39.64 39.43 3nr4 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3nr4 s SER 74 N -2.24 -0.74 0.00 7.28 0.15 -1.10 -4.96 113.70 112.09 3nr4 s SER 74 Ca 0.10 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.18 3nr4 s SER 74 Cb 0.13 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 3nr4 s SER 74 CO 0.54 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.35 3nr4 n GLY 75 N 2.70 -2.46 0.00 9.45 0.00 -1.26 -0.17 105.19 113.44 3nr4 n GLY 75 Ca -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3nr4 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nr4 n ASP 76 N -0.26 1.09 0.00 1.61 8.00 -1.26 -4.92 116.55 120.81 3nr4 n ASP 76 Ca 0.00 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3nr4 n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3nr4 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nr4 n GLY 77 N -0.09 0.94 3.79 0.44 0.00 -1.26 -5.05 105.19 103.97 3nr4 n GLY 77 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3nr4 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nr4 n ASP 78 N 0.00 2.05 -4.60 1.61 10.43 -1.26 -4.61 116.55 120.18 3nr4 n ASP 78 Ca 0.00 -2.50 -0.48 0.00 2.57 0.00 0.00 54.79 54.38 3nr4 n ASP 78 Cb 0.00 -0.41 -0.04 0.00 1.84 0.00 0.00 41.12 42.51 3nr4 n ASP 78 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3nr4 n VAL 79 N -2.22 0.90 0.00 2.53 0.31 -1.26 -1.57 118.33 117.01 3nr4 n VAL 79 Ca 0.16 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3nr4 n VAL 79 Cb 0.58 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3nr4 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nr4 n GLY 80 N 2.05 3.10 3.76 2.92 0.00 -0.25 -5.03 105.19 111.74 3nr4 n GLY 80 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3nr4 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nr4 s SER 81 N -1.21 5.90 -0.11 1.61 0.01 -0.61 -4.73 113.70 114.56 3nr4 s SER 81 Ca 0.00 2.58 0.03 0.00 1.31 0.00 0.00 55.95 59.87 3nr4 s SER 81 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3nr4 s SER 81 CO 0.00 -1.12 -0.22 -0.69 0.41 0.00 0.00 173.24 171.61 3nr4 s VAL 82 N -1.37 1.98 0.01 3.43 1.01 0.76 -1.37 120.40 124.85 3nr4 s VAL 82 Ca 0.64 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3nr4 s VAL 82 Cb -0.36 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3nr4 s VAL 82 CO 0.44 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 176.01 3nr4 s ARG 83 N 0.51 2.53 -0.24 2.72 1.70 0.10 -0.97 118.95 125.30 3nr4 s ARG 83 Ca -0.15 -0.74 -0.09 0.00 -0.47 0.00 0.00 55.73 54.28 3nr4 s ARG 83 Cb -0.17 -2.49 -0.04 0.00 -0.57 0.00 0.00 34.95 31.68 3nr4 s ARG 83 CO 0.05 0.60 0.11 -1.21 -1.08 0.00 0.00 175.30 173.77 3nr4 s GLU 84 N -1.46 3.84 -0.05 3.89 2.02 -0.15 -0.56 118.70 126.23 3nr4 s GLU 84 Ca 0.17 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 54.82 3nr4 s GLU 84 Cb -0.11 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3nr4 s GLU 84 CO 0.08 -0.05 -0.17 0.14 0.02 0.00 0.00 175.26 175.27 3nr4 s VAL 85 N 1.30 2.77 -0.36 2.63 -7.23 0.77 -2.18 120.40 118.09 3nr4 s VAL 85 Ca 0.06 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.26 3nr4 s VAL 85 Cb -0.15 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 3nr4 s VAL 85 CO 0.05 0.58 0.33 -0.89 -0.31 0.00 0.00 175.10 174.85 3nr4 s THR 86 N -0.55 5.21 -0.03 5.32 2.01 -0.38 -0.31 115.64 126.91 3nr4 s THR 86 Ca 0.08 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 3nr4 s THR 86 Cb -0.11 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3nr4 s THR 86 CO 0.01 -0.14 0.44 -0.69 -0.69 0.00 0.00 174.62 173.55 3nr4 s VAL 87 N 1.89 5.04 -0.10 3.82 1.01 0.43 -1.19 120.40 131.30 3nr4 s VAL 87 Ca 0.09 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 3nr4 s VAL 87 Cb -0.17 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3nr4 s VAL 87 CO 0.11 0.51 -0.07 0.27 0.00 0.00 0.00 175.10 175.92 3nr4 s ILE 88 N -0.61 3.62 0.00 2.22 -4.36 -1.00 -2.31 121.20 118.77 3nr4 s ILE 88 Ca 0.25 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 3nr4 s ILE 88 Cb -0.16 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3nr4 s ILE 88 CO 0.13 0.55 0.00 -1.54 0.24 0.00 0.00 174.94 174.32 3nr4 n SER 89 N 2.83 0.00 0.24 4.36 3.41 -1.26 -4.75 113.62 118.45 3nr4 n SER 89 Ca -0.18 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.59 3nr4 n SER 89 Cb 0.53 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.02 3nr4 n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3nr4 h GLY 90 N 0.00 0.00 -1.60 5.00 0.00 -2.05 -3.45 103.07 100.98 3nr4 h GLY 90 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 3nr4 h GLY 90 CO 0.00 0.00 0.07 1.08 0.00 0.00 0.00 176.54 177.69 3nr4 s LEU 91 N -5.88 3.15 0.71 3.11 1.43 -1.26 -5.06 118.68 114.88 3nr4 s LEU 91 Ca 0.03 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 3nr4 s LEU 91 Cb 0.08 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.28 3nr4 s LEU 91 CO 0.55 -1.25 1.23 -0.81 0.23 0.00 0.00 176.35 176.31 3nr4 n PRO 92 N -2.54 0.72 -1.51 1.29 -0.04 -1.26 -4.90 135.00 126.76 3nr4 n PRO 92 Ca 0.07 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.41 3nr4 n PRO 92 Cb 0.60 -2.47 -0.00 0.00 -0.04 0.00 0.00 33.50 31.58 3nr4 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3nr4 n ALA 93 N -2.48 -0.97 -2.61 0.55 0.00 -1.26 -4.77 120.51 108.98 3nr4 n ALA 93 Ca 0.15 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 3nr4 n ALA 93 Cb 0.49 -1.88 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 3nr4 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3nr4 s SER 94 N -0.82 0.14 -0.12 0.00 1.04 -0.98 -4.99 113.70 107.98 3nr4 s SER 94 Ca 0.62 -1.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 3nr4 s SER 94 Cb -0.65 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3nr4 s SER 94 CO 0.58 -0.98 -0.09 -0.89 0.98 0.00 0.00 173.24 172.84 3nr4 s THR 95 N -4.04 3.47 -0.15 2.02 2.01 -1.26 -0.43 115.64 117.26 3nr4 s THR 95 Ca 0.32 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 3nr4 s THR 95 Cb 0.04 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3nr4 s THR 95 CO 0.12 0.53 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.89 3nr4 s SER 96 N 0.04 3.80 -0.18 3.53 0.15 0.57 -4.80 113.70 116.81 3nr4 s SER 96 Ca -0.02 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 3nr4 s SER 96 Cb -0.14 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 3nr4 s SER 96 CO 0.03 0.11 0.06 0.42 1.20 0.00 0.00 173.24 175.06 3nr4 s THR 97 N 0.70 4.75 -0.01 6.45 -4.23 -1.26 -0.16 115.64 121.87 3nr4 s THR 97 Ca -0.07 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 3nr4 s THR 97 Cb -0.15 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.56 3nr4 s THR 97 CO 0.02 0.47 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.89 3nr4 s GLU 98 N 0.28 0.69 -0.09 3.99 2.02 0.28 -0.60 118.70 125.26 3nr4 s GLU 98 Ca 0.03 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.81 3nr4 s GLU 98 Cb -0.12 -0.67 -0.01 0.00 0.10 0.00 0.00 34.13 33.43 3nr4 s GLU 98 CO 0.00 0.12 -0.21 0.50 0.02 0.00 0.00 175.26 175.70 3nr4 s ARG 99 N 0.02 2.93 -0.25 1.61 3.52 -0.50 0.02 118.95 126.31 3nr4 s ARG 99 Ca 0.00 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.48 3nr4 s ARG 99 Cb -0.05 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.99 3nr4 s ARG 99 CO -0.00 0.29 1.36 -1.17 -0.81 0.00 0.00 175.30 174.96 3nr4 s LEU 100 N 0.10 3.97 -0.21 -0.88 2.96 -0.47 -2.17 118.68 121.99 3nr4 s LEU 100 Ca -0.10 1.43 0.08 0.00 -0.22 0.00 0.00 54.13 55.32 3nr4 s LEU 100 Cb -0.16 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 3nr4 s LEU 100 CO 0.06 -1.03 0.01 -0.62 -1.32 0.00 0.00 176.35 173.45 3nr4 n GLU 101 N 7.20 0.67 -3.65 1.98 -0.58 0.78 -1.09 120.64 125.94 3nr4 n GLU 101 Ca 0.15 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.88 3nr4 n GLU 101 Cb 0.46 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 3nr4 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3nr4 s PHE 102 N -2.52 -0.79 -0.04 -0.32 5.36 -1.04 -4.85 117.98 113.78 3nr4 s PHE 102 Ca -0.22 1.81 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 3nr4 s PHE 102 Cb 0.08 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3nr4 s PHE 102 CO 0.72 -0.39 -0.04 0.08 -1.46 0.00 0.00 175.22 174.13 3nr4 s VAL 103 N 0.71 0.51 -0.37 3.12 1.01 -1.26 -0.74 120.40 123.38 3nr4 s VAL 103 Ca -0.03 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3nr4 s VAL 103 Cb -0.05 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 35.90 3nr4 s VAL 103 CO -0.05 0.21 0.10 -0.62 0.00 0.00 0.00 175.10 174.74 3nr4 s ASP 104 N 0.86 4.52 0.44 3.32 3.68 0.45 -4.99 116.67 124.93 3nr4 s ASP 104 Ca -0.11 -2.21 0.17 0.00 2.13 0.00 0.00 52.55 52.52 3nr4 s ASP 104 Cb -0.14 -1.46 1.00 0.00 -1.45 0.00 0.00 42.92 40.86 3nr4 s ASP 104 CO 0.00 -0.36 1.94 0.44 0.13 0.00 0.00 175.17 177.33 3nr4 h ASP 105 N 7.49 0.00 0.01 -0.34 3.32 -1.97 0.34 116.42 125.27 3nr4 h ASP 105 Ca -0.06 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 3nr4 h ASP 105 Cb 1.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.56 3nr4 h ASP 105 CO 0.53 0.24 -0.69 0.44 -1.72 0.00 0.00 179.24 178.05 3nr4 h ASP 106 N 0.00 0.59 0.21 6.45 3.32 -1.96 -3.23 116.42 121.79 3nr4 h ASP 106 Ca -0.00 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 3nr4 h ASP 106 Cb 0.46 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3nr4 h ASP 106 CO 0.03 1.28 -0.13 1.41 -1.72 0.00 0.00 179.24 180.12 3nr4 n HIS 107 N -4.15 0.00 -3.52 4.55 8.25 -1.12 -4.97 115.22 114.25 3nr4 n HIS 107 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.10 3nr4 n HIS 107 Cb 0.72 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.77 3nr4 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3nr4 n ARG 108 N -0.61 -1.70 -4.85 -0.41 1.74 0.11 -4.41 116.66 106.54 3nr4 n ARG 108 Ca 0.15 0.61 -0.27 0.00 -0.77 0.00 0.00 57.85 57.57 3nr4 n ARG 108 Cb 0.31 -4.78 -0.17 0.00 -1.02 0.00 0.00 32.46 26.80 3nr4 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nr4 s VAL 109 N -3.44 1.51 -0.04 1.55 1.01 -0.85 -0.92 120.40 119.22 3nr4 s VAL 109 Ca 0.46 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3nr4 s VAL 109 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3nr4 s VAL 109 CO 0.82 0.44 -0.13 -0.22 0.00 0.00 0.00 175.10 176.00 3nr4 s LEU 110 N 0.43 1.84 -0.04 3.92 0.20 -0.19 -0.41 118.68 124.43 3nr4 s LEU 110 Ca -0.14 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.45 3nr4 s LEU 110 Cb -0.16 -0.76 -0.00 0.00 -0.43 0.00 0.00 46.19 44.84 3nr4 s LEU 110 CO 0.05 0.11 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.61 3nr4 s SER 111 N 0.13 2.18 0.18 3.68 0.01 0.08 -0.93 113.70 119.02 3nr4 s SER 111 Ca -0.04 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 3nr4 s SER 111 Cb -0.10 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 3nr4 s SER 111 CO 0.01 0.15 0.13 0.72 0.41 0.00 0.00 173.24 174.67 3nr4 s PHE 112 N 0.05 0.99 -0.02 2.43 -0.12 -0.89 -0.15 117.98 120.27 3nr4 s PHE 112 Ca -0.04 -1.27 -0.05 0.00 -0.05 0.00 0.00 56.93 55.52 3nr4 s PHE 112 Cb -0.12 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.80 3nr4 s PHE 112 CO 0.02 -0.62 0.10 -0.98 -0.05 0.00 0.00 175.22 173.69 3nr4 s ARG 113 N -4.11 0.28 0.24 1.99 1.70 -0.92 -1.66 118.95 116.47 3nr4 s ARG 113 Ca 0.32 -0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 3nr4 s ARG 113 Cb 0.07 0.12 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3nr4 s ARG 113 CO 0.08 -0.06 1.29 0.08 -1.08 0.00 0.00 175.30 175.61 3nr4 s VAL 114 N -0.68 3.12 -0.10 4.99 1.01 0.20 -1.41 120.40 127.52 3nr4 s VAL 114 Ca -0.08 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 62.77 3nr4 s VAL 114 Cb -0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3nr4 s VAL 114 CO 0.00 0.18 -0.23 0.52 0.00 0.00 0.00 175.10 175.57 3nr4 n VAL 115 N 2.05 1.19 -2.75 2.92 0.31 0.23 -4.71 118.33 117.57 3nr4 n VAL 115 Ca 0.04 0.23 -0.43 0.00 -0.01 0.00 0.00 64.34 64.17 3nr4 n VAL 115 Cb 0.43 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 3nr4 n VAL 115 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3nr4 s GLY 116 N -4.42 1.61 0.00 2.92 0.00 -1.21 -4.98 107.32 101.24 3nr4 s GLY 116 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3nr4 s GLY 116 CO 0.28 2.08 0.00 0.61 0.00 0.00 0.00 173.10 176.08 3nr4 n GLY 117 N 3.98 -1.24 5.00 0.20 0.00 -1.26 -4.16 105.19 107.71 3nr4 n GLY 117 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3nr4 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nr4 n GLU 118 N 0.00 0.00 -1.44 1.61 4.71 -1.26 -4.88 120.64 119.37 3nr4 n GLU 118 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 3nr4 n GLU 118 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 30.51 3nr4 n GLU 118 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3nr4 s HIS 119 N 0.00 2.33 0.26 -0.32 5.04 -1.26 -4.93 115.29 116.41 3nr4 s HIS 119 Ca 0.00 1.60 -0.02 0.00 -1.54 0.00 0.00 55.06 55.09 3nr4 s HIS 119 Cb 0.00 -3.25 0.42 0.00 0.04 0.00 0.00 32.58 29.78 3nr4 s HIS 119 CO 0.00 -2.11 1.87 -0.09 -2.34 0.00 0.00 174.74 172.07 3nr4 h ARG 120 N -0.51 1.06 -5.18 2.88 2.43 -2.02 -3.37 114.38 109.67 3nr4 h ARG 120 Ca -0.46 -0.06 -0.66 0.00 -0.81 0.00 0.00 59.98 57.99 3nr4 h ARG 120 Cb 1.26 -0.24 -0.16 0.00 -0.42 0.00 0.00 29.97 30.41 3nr4 h ARG 120 CO 0.51 0.70 0.41 -0.51 -1.51 0.00 0.00 179.97 179.57 3nr4 s LEU 121 N -10.19 4.74 0.27 3.80 1.02 -1.26 -4.80 118.68 112.26 3nr4 s LEU 121 Ca -0.12 -1.18 -0.01 0.00 0.02 0.00 0.00 54.13 52.84 3nr4 s LEU 121 Cb 0.20 -2.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 3nr4 s LEU 121 CO 0.81 -1.32 0.47 -0.54 0.02 0.00 0.00 176.35 175.79 3nr4 s LYS 122 N 3.56 3.53 -1.46 1.70 1.02 -1.26 -4.45 119.74 122.38 3nr4 s LYS 122 Ca 0.19 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.90 3nr4 s LYS 122 Cb -0.19 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3nr4 s LYS 122 CO 0.08 0.28 0.00 0.09 -0.92 0.00 0.00 175.35 174.88 3nr4 n ASN 123 N -1.10 -5.01 -4.74 2.83 3.02 -1.26 -1.89 115.26 107.11 3nr4 n ASN 123 Ca -0.04 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 3nr4 n ASN 123 Cb 0.55 -4.10 -0.02 0.00 -0.61 0.00 0.00 39.78 35.59 3nr4 n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3nr4 s TYR 124 N -2.85 2.93 0.03 3.10 5.04 -1.26 -4.50 117.35 119.85 3nr4 s TYR 124 Ca 0.00 0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 55.46 3nr4 s TYR 124 Cb 0.00 -3.92 -0.01 0.00 0.35 0.00 0.00 41.96 38.38 3nr4 s TYR 124 CO 0.00 -3.09 0.10 -1.59 -1.34 0.00 0.00 175.55 169.64 3nr4 s LYS 125 N -0.23 0.57 -0.00 4.97 -2.85 -0.18 -0.63 119.74 121.38 3nr4 s LYS 125 Ca 0.62 -0.68 -0.17 0.00 -1.00 0.00 0.00 55.97 54.74 3nr4 s LYS 125 Cb -0.44 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 35.58 3nr4 s LYS 125 CO 0.43 -0.14 0.37 -1.54 0.10 0.00 0.00 175.35 174.57 3nr4 s SER 126 N -1.98 -0.25 -0.07 0.03 1.04 -0.66 -0.66 113.70 111.14 3nr4 s SER 126 Ca -0.07 0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.53 3nr4 s SER 126 Cb -0.02 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3nr4 s SER 126 CO -0.03 -0.51 -0.23 -0.69 0.98 0.00 0.00 173.24 172.75 3nr4 s VAL 127 N -1.59 2.18 -0.07 5.02 1.01 0.05 -2.10 120.40 124.89 3nr4 s VAL 127 Ca -0.11 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.89 3nr4 s VAL 127 Cb -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3nr4 s VAL 127 CO 0.03 0.57 -0.19 -0.89 0.00 0.00 0.00 175.10 174.62 3nr4 s THR 128 N -0.06 1.63 0.07 3.92 2.01 -0.11 -0.92 115.64 122.18 3nr4 s THR 128 Ca -0.06 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.23 3nr4 s THR 128 Cb -0.15 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3nr4 s THR 128 CO 0.05 0.47 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.29 3nr4 s SER 129 N 0.34 2.52 -0.14 3.53 1.04 0.35 -1.02 113.70 120.33 3nr4 s SER 129 Ca -0.13 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.73 3nr4 s SER 129 Cb -0.16 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.80 3nr4 s SER 129 CO 0.05 0.13 -0.18 -0.69 0.98 0.00 0.00 173.24 173.53 3nr4 s VAL 130 N -0.93 1.80 -0.03 5.02 1.01 -0.10 -1.34 120.40 125.83 3nr4 s VAL 130 Ca 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3nr4 s VAL 130 Cb -0.09 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3nr4 s VAL 130 CO 0.03 0.50 -0.06 0.20 0.00 0.00 0.00 175.10 175.77 3nr4 s ASN 131 N 1.09 0.97 0.04 3.32 0.01 -0.84 -4.65 114.94 114.87 3nr4 s ASN 131 Ca -0.02 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3nr4 s ASN 131 Cb -0.14 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.11 3nr4 s ASN 131 CO -0.06 -0.00 0.13 -0.70 -1.51 0.00 0.00 177.10 174.96 3nr4 s GLU 132 N 0.57 3.16 0.04 -0.60 2.12 -1.26 0.12 118.70 122.84 3nr4 s GLU 132 Ca -0.08 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.76 3nr4 s GLU 132 Cb -0.11 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 3nr4 s GLU 132 CO 0.00 0.61 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.19 3nr4 s PHE 133 N -1.37 0.75 -0.40 5.30 0.08 -0.26 -4.96 117.98 117.12 3nr4 s PHE 133 Ca 0.29 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 3nr4 s PHE 133 Cb -0.12 -0.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 3nr4 s PHE 133 CO 0.21 -0.04 0.26 -1.17 -0.10 0.00 0.00 175.22 174.39 3nr4 s LEU 134 N -1.26 4.96 -0.23 -0.37 2.96 -1.26 -1.49 118.68 122.00 3nr4 s LEU 134 Ca -0.06 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 3nr4 s LEU 134 Cb -0.08 -2.10 -0.19 0.00 0.50 0.00 0.00 46.19 44.31 3nr4 s LEU 134 CO 0.01 -0.43 -0.10 -0.46 -1.32 0.00 0.00 176.35 174.05 3nr4 n ASN 135 N 5.09 2.01 -0.68 3.68 2.04 -1.26 -4.99 115.26 121.15 3nr4 n ASN 135 Ca -0.11 -0.06 0.00 0.00 -0.44 0.00 0.00 54.58 53.96 3nr4 n ASN 135 Cb 0.47 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 3nr4 n ASN 135 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3nr4 n LYS 140 N -3.31 0.00 -3.58 -3.83 5.02 -1.26 -5.15 118.16 106.05 3nr4 n LYS 140 Ca -0.43 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.63 3nr4 n LYS 140 Cb 1.00 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 35.66 3nr4 n LYS 140 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3nr4 s VAL 141 N -2.49 5.16 0.35 -0.18 -7.23 -1.26 -5.05 120.40 109.70 3nr4 s VAL 141 Ca 0.00 -0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 59.52 3nr4 s VAL 141 Cb 0.00 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.10 3nr4 s VAL 141 CO 0.00 -0.46 0.52 -0.72 -0.31 0.00 0.00 175.10 174.12 3nr4 s TYR 142 N -2.18 0.95 0.03 2.82 1.13 -0.55 -4.20 117.35 115.33 3nr4 s TYR 142 Ca 0.38 -1.23 0.03 0.00 -1.41 0.00 0.00 57.07 54.84 3nr4 s TYR 142 Cb -0.10 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.78 3nr4 s TYR 142 CO 0.33 -1.19 -0.10 0.99 -2.51 0.00 0.00 175.55 173.07 3nr4 s THR 143 N -2.96 0.80 -0.20 -3.49 2.01 0.65 -1.11 115.64 111.33 3nr4 s THR 143 Ca 0.29 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.50 3nr4 s THR 143 Cb -0.01 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.78 3nr4 s THR 143 CO 0.19 -0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 3nr4 s VAL 144 N -0.75 2.38 -0.16 3.82 1.01 0.12 -0.02 120.40 126.80 3nr4 s VAL 144 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3nr4 s VAL 144 Cb -0.07 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3nr4 s VAL 144 CO 0.01 0.41 0.18 -0.69 0.00 0.00 0.00 175.10 175.01 3nr4 s VAL 145 N 1.30 5.40 -0.15 2.92 1.01 0.01 -1.98 120.40 128.91 3nr4 s VAL 145 Ca 0.03 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3nr4 s VAL 145 Cb -0.14 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3nr4 s VAL 145 CO -0.10 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.56 3nr4 s LEU 146 N -0.14 2.29 -0.13 3.92 1.43 -0.45 -1.48 118.68 124.12 3nr4 s LEU 146 Ca 0.13 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3nr4 s LEU 146 Cb -0.12 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3nr4 s LEU 146 CO 0.02 0.07 -0.18 -0.70 0.23 0.00 0.00 176.35 175.79 3nr4 s GLU 147 N 0.87 2.62 -0.02 1.70 2.12 -0.24 -0.49 118.70 125.27 3nr4 s GLU 147 Ca -0.05 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.63 3nr4 s GLU 147 Cb -0.15 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 3nr4 s GLU 147 CO -0.02 -0.06 -0.19 -1.54 -0.54 0.00 0.00 175.26 172.91 3nr4 s SER 148 N 0.96 3.65 0.15 -1.70 1.04 -0.10 -0.46 113.70 117.24 3nr4 s SER 148 Ca -0.05 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.08 3nr4 s SER 148 Cb -0.15 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 3nr4 s SER 148 CO -0.03 0.32 -0.10 -0.72 0.98 0.00 0.00 173.24 173.68 3nr4 s TYR 149 N -0.74 1.29 -0.01 5.02 1.13 -0.82 -0.77 117.35 122.44 3nr4 s TYR 149 Ca 0.12 -0.75 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 3nr4 s TYR 149 Cb -0.10 -0.65 -0.01 0.00 -1.10 0.00 0.00 41.96 40.09 3nr4 s TYR 149 CO 0.01 0.10 -0.14 0.99 -2.51 0.00 0.00 175.55 173.99 3nr4 s THR 150 N -3.31 1.14 -0.04 -3.49 2.01 0.17 -3.10 115.64 109.02 3nr4 s THR 150 Ca 0.17 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.36 3nr4 s THR 150 Cb 0.02 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.62 3nr4 s THR 150 CO 0.01 0.33 0.45 0.54 -0.69 0.00 0.00 174.62 175.26 3nr4 s VAL 151 N -0.27 0.03 0.12 3.82 0.11 -1.00 -1.01 120.40 122.21 3nr4 s VAL 151 Ca 0.04 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 3nr4 s VAL 151 Cb -0.06 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.97 3nr4 s VAL 151 CO -0.00 -0.15 1.11 -1.81 -3.33 0.00 0.00 175.10 170.92 3nr4 s ASP 152 N -1.14 7.24 -0.19 3.54 1.01 -0.79 -0.74 116.67 125.60 3nr4 s ASP 152 Ca -0.11 2.01 -0.29 0.00 0.71 0.00 0.00 52.55 54.86 3nr4 s ASP 152 Cb -0.03 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3nr4 s ASP 152 CO 0.06 -0.29 1.33 -0.63 0.21 0.00 0.00 175.17 175.86 3nr4 s ILE 153 N 0.26 4.15 0.49 0.77 1.01 -0.08 -4.37 121.20 123.42 3nr4 s ILE 153 Ca 0.52 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 62.30 3nr4 s ILE 153 Cb -0.28 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3nr4 s ILE 153 CO 0.32 -0.21 1.38 -2.84 0.00 0.00 0.00 174.94 173.59 3nr4 s PRO 154 N 3.78 3.45 0.07 2.79 0.02 -1.26 -4.93 135.00 138.91 3nr4 s PRO 154 Ca 0.58 2.29 -0.34 0.00 0.02 0.00 0.00 61.00 63.55 3nr4 s PRO 154 Cb -0.22 -2.46 -0.13 0.00 0.02 0.00 0.00 34.50 31.71 3nr4 s PRO 154 CO 0.19 -0.97 1.68 0.39 -0.33 0.00 0.00 177.00 177.96 3nr4 n GLU 155 N -0.58 2.12 0.00 5.54 -0.58 -1.26 -1.38 120.64 124.50 3nr4 n GLU 155 Ca 0.08 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 3nr4 n GLU 155 Cb 0.44 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.74 3nr4 n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3nr4 n GLY 156 N 3.73 2.52 3.89 0.62 0.00 -1.26 -5.05 105.19 109.65 3nr4 n GLY 156 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3nr4 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nr4 s ASN 157 N -1.41 6.47 0.41 1.61 -0.87 -0.48 -5.11 114.94 115.55 3nr4 s ASN 157 Ca 0.00 0.95 0.03 0.00 -1.57 0.00 0.00 52.86 52.27 3nr4 s ASN 157 Cb 0.00 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.25 38.98 3nr4 s ASN 157 CO 0.00 -0.34 0.59 0.42 -2.57 0.00 0.00 177.10 175.20 3nr4 s THR 158 N -2.30 4.02 0.20 1.60 -4.23 -1.26 -4.82 115.64 108.85 3nr4 s THR 158 Ca 0.48 -0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 3nr4 s THR 158 Cb -0.10 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.40 3nr4 s THR 158 CO 0.32 -0.26 1.73 -0.08 -0.54 0.00 0.00 174.62 175.79 3nr4 h GLU 159 N 0.59 1.10 -0.02 3.99 4.81 -1.97 -2.64 114.58 120.44 3nr4 h GLU 159 Ca -0.46 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3nr4 h GLU 159 Cb 1.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3nr4 h GLU 159 CO 0.56 0.94 0.00 1.49 -0.73 0.00 0.00 179.01 181.27 3nr4 h GLU 160 N 1.04 0.03 -0.38 1.92 4.81 -1.99 -1.44 114.58 118.57 3nr4 h GLU 160 Ca 0.23 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 3nr4 h GLU 160 Cb 0.29 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3nr4 h GLU 160 CO -0.01 0.26 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.79 3nr4 h ASP 161 N -0.20 0.86 0.16 1.04 3.32 -1.98 -0.89 116.42 118.74 3nr4 h ASP 161 Ca 0.01 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3nr4 h ASP 161 Cb 0.24 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3nr4 h ASP 161 CO 0.00 1.10 -0.08 0.74 -1.72 0.00 0.00 179.24 179.28 3nr4 h THR 162 N 0.70 0.85 -0.82 0.35 2.02 -1.42 -1.78 112.91 112.81 3nr4 h THR 162 Ca 0.08 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3nr4 h THR 162 Cb 0.85 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 3nr4 h THR 162 CO 0.07 0.00 0.51 0.50 0.37 0.00 0.00 175.52 176.97 3nr4 h LYS 163 N -0.22 1.10 -0.46 6.66 3.64 -1.21 -1.40 116.57 124.67 3nr4 h LYS 163 Ca -0.02 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3nr4 h LYS 163 Cb 0.17 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3nr4 h LYS 163 CO 0.04 0.76 0.21 1.98 -2.27 0.00 0.00 179.45 180.17 3nr4 h MET 164 N 1.11 0.41 0.39 1.90 4.05 -0.94 0.59 114.93 122.45 3nr4 h MET 164 Ca 0.29 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 3nr4 h MET 164 Cb -0.07 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 3nr4 h MET 164 CO -0.06 0.27 -0.19 0.35 0.23 0.00 0.00 176.91 177.52 3nr4 h PHE 165 N 0.42 -0.48 -0.40 1.39 3.57 -1.02 -2.18 116.94 118.24 3nr4 h PHE 165 Ca 0.21 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3nr4 h PHE 165 Cb 0.14 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3nr4 h PHE 165 CO -0.12 -0.24 0.08 0.28 -2.23 0.00 0.00 178.31 176.09 3nr4 h VAL 166 N -0.64 1.24 -0.60 1.41 2.07 -1.13 -1.96 116.25 116.64 3nr4 h VAL 166 Ca -0.05 -0.83 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3nr4 h VAL 166 Cb 0.47 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.13 3nr4 h VAL 166 CO 0.09 0.29 -0.16 0.44 0.02 0.00 0.00 177.57 178.25 3nr4 h ASP 167 N 0.51 -0.58 0.01 0.57 5.19 -0.92 -1.14 116.42 120.06 3nr4 h ASP 167 Ca 0.12 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3nr4 h ASP 167 Cb 0.34 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 3nr4 h ASP 167 CO 0.01 -0.20 -0.01 0.74 -3.12 0.00 0.00 179.24 176.65 3nr4 h THR 168 N -0.01 0.98 -0.47 0.35 2.02 -0.94 -1.03 112.91 113.82 3nr4 h THR 168 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3nr4 h THR 168 Cb 0.44 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3nr4 h THR 168 CO -0.62 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.15 3nr4 h VAL 169 N -0.02 1.13 -0.37 3.16 2.07 -1.02 -0.56 116.25 120.64 3nr4 h VAL 169 Ca 0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3nr4 h VAL 169 Cb 0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3nr4 h VAL 169 CO -0.00 0.13 0.05 0.58 0.02 0.00 0.00 177.57 178.35 3nr4 h VAL 170 N 0.63 1.24 -0.76 2.57 2.07 -1.07 -1.43 116.25 119.51 3nr4 h VAL 170 Ca 0.17 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3nr4 h VAL 170 Cb -0.05 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3nr4 h VAL 170 CO -0.04 0.29 0.35 0.50 0.02 0.00 0.00 177.57 178.70 3nr4 h LYS 171 N 0.47 1.09 -0.65 1.57 1.63 -1.10 -1.40 116.57 118.18 3nr4 h LYS 171 Ca 0.11 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 3nr4 h LYS 171 Cb 0.38 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3nr4 h LYS 171 CO 0.01 0.85 0.20 -0.07 -3.45 0.00 0.00 179.45 176.99 3nr4 h LEU 172 N 1.08 0.92 -0.63 5.20 3.38 -0.74 -1.75 115.31 122.77 3nr4 h LEU 172 Ca 0.26 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3nr4 h LEU 172 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3nr4 h LEU 172 CO -0.03 0.87 -0.30 0.78 0.09 0.00 0.00 178.44 179.84 3nr4 h ASN 173 N 0.96 0.77 -0.20 -0.43 2.35 -0.89 -1.76 115.58 116.39 3nr4 h ASN 173 Ca 0.21 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 3nr4 h ASN 173 Cb 0.28 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3nr4 h ASN 173 CO -0.01 1.02 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.57 3nr4 h LEU 174 N 0.63 0.59 -0.82 1.61 3.38 -0.98 0.27 115.31 120.00 3nr4 h LEU 174 Ca 0.07 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3nr4 h LEU 174 Cb 0.83 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3nr4 h LEU 174 CO 0.07 0.76 0.09 1.56 0.09 0.00 0.00 178.44 181.02 3nr4 h GLN 175 N 0.55 0.98 -0.48 1.13 4.20 -1.16 -0.87 115.11 119.47 3nr4 h GLN 175 Ca 0.09 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 3nr4 h GLN 175 Cb 0.57 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3nr4 h GLN 175 CO 0.04 0.91 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.84 3nr4 h LYS 176 N 0.93 0.83 -0.38 1.46 3.64 -0.63 -1.93 116.57 120.49 3nr4 h LYS 176 Ca 0.19 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3nr4 h LYS 176 Cb 0.41 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3nr4 h LYS 176 CO 0.01 0.86 0.21 1.25 -2.27 0.00 0.00 179.45 179.51 3nr4 h LEU 177 N 0.76 0.32 -0.50 5.20 5.85 -0.72 -1.10 115.31 125.12 3nr4 h LEU 177 Ca 0.14 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.95 3nr4 h LEU 177 Cb 0.53 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3nr4 h LEU 177 CO 0.03 0.23 0.10 1.23 -0.34 0.00 0.00 178.44 179.69 3nr4 h GLY 178 N 0.42 0.61 0.88 3.75 0.00 -0.79 -0.36 103.07 107.59 3nr4 h GLY 178 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3nr4 h GLY 178 CO -0.09 -0.07 -0.00 -2.08 0.00 0.00 0.00 176.54 174.30 3nr4 h VAL 179 N 0.24 0.95 -0.49 4.60 2.07 -1.01 -1.00 116.25 121.60 3nr4 h VAL 179 Ca 0.25 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.84 3nr4 h VAL 179 Cb 0.34 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3nr4 h VAL 179 CO -0.33 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.37 3nr4 h ALA 180 N 1.07 0.55 0.00 1.67 0.00 -0.81 -1.88 119.26 119.86 3nr4 h ALA 180 Ca 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3nr4 h ALA 180 Cb 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3nr4 h ALA 180 CO -0.06 -0.30 -0.42 0.00 0.00 0.00 0.00 179.25 178.47 3nr4 h ALA 181 N 1.37 0.97 0.00 0.00 0.00 -0.77 -0.87 119.26 119.96 3nr4 h ALA 181 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3nr4 h ALA 181 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3nr4 h ALA 181 CO -0.31 0.52 -0.94 0.25 0.00 0.00 0.00 179.25 178.77 3nr4 n THR 182 N -3.54 0.05 -1.53 0.00 -2.24 -0.41 -4.73 114.28 101.88 3nr4 n THR 182 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3nr4 n THR 182 Cb 0.54 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3nr4 n THR 182 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nr4 n SER 183 N -1.68 0.00 -4.71 3.42 3.41 -0.73 -5.08 113.62 108.26 3nr4 n SER 183 Ca 0.03 -0.90 -0.27 0.00 -0.26 0.00 0.00 58.87 57.47 3nr4 n SER 183 Cb 0.38 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 3nr4 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nr4 s ALA 184 N 0.00 3.34 0.71 7.33 0.00 -0.33 -5.01 121.76 127.80 3nr4 s ALA 184 Ca 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 3nr4 s ALA 184 Cb 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.99 3nr4 s ALA 184 CO 0.00 0.53 1.26 -2.14 0.00 0.00 0.00 175.76 175.41 3nr4 s PRO 185 N -2.87 2.22 0.71 0.00 0.02 -1.26 -4.83 135.00 128.99 3nr4 s PRO 185 Ca 0.28 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 63.12 3nr4 s PRO 185 Cb -0.10 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.61 3nr4 s PRO 185 CO 0.20 -1.82 1.07 -1.64 -0.33 0.00 0.00 177.00 174.49 3nr4 s MET 186 N -3.68 2.86 0.00 5.54 -1.94 -1.26 -5.04 119.30 115.78 3nr4 s MET 186 Ca 0.79 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.43 3nr4 s MET 186 Cb -0.34 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.50 3nr4 s MET 186 CO 0.44 -1.08 0.32 0.72 -0.01 0.00 0.00 175.02 175.41