#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nj2 h SER 24 N 0.00 1.10 -0.41 1.20 0.87 -2.06 0.23 113.55 114.48 3nj2 h SER 24 Ca 0.00 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3nj2 h SER 24 Cb 0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3nj2 h SER 24 CO 0.00 0.91 0.18 -0.33 -0.53 0.00 0.00 176.83 177.06 3nj2 h GLU 25 N 1.21 0.60 -0.37 2.24 5.08 -2.05 -2.95 114.58 118.34 3nj2 h GLU 25 Ca 0.30 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3nj2 h GLU 25 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3nj2 h GLU 25 CO -0.04 0.55 -0.07 1.79 -1.00 0.00 0.00 179.01 180.24 3nj2 h THR 26 N 0.52 1.23 -0.50 1.13 1.35 -1.84 -1.66 112.91 113.14 3nj2 h THR 26 Ca 0.14 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 3nj2 h THR 26 Cb 0.16 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 3nj2 h THR 26 CO -0.01 0.34 0.00 0.78 -0.25 0.00 0.00 175.52 176.38 3nj2 h ASN 27 N 0.57 0.86 -0.64 5.36 2.35 -0.57 -0.94 115.58 122.59 3nj2 h ASN 27 Ca 0.11 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3nj2 h ASN 27 Cb 0.47 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3nj2 h ASN 27 CO 0.03 0.96 0.23 0.74 -1.65 0.00 0.00 177.43 177.74 3nj2 h THR 28 N 0.75 1.24 -0.63 2.81 2.02 -1.32 -0.76 112.91 117.01 3nj2 h THR 28 Ca 0.14 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 3nj2 h THR 28 Cb 0.52 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3nj2 h THR 28 CO 0.03 0.30 0.25 -0.07 0.37 0.00 0.00 175.52 176.39 3nj2 h LEU 29 N 0.90 0.88 -0.57 2.58 3.38 -1.13 -1.47 115.31 119.88 3nj2 h LEU 29 Ca 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3nj2 h LEU 29 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3nj2 h LEU 29 CO -0.01 0.81 0.29 0.25 0.09 0.00 0.00 178.44 179.87 3nj2 h LEU 30 N 0.89 0.73 -0.66 1.67 5.85 -0.75 -0.01 115.31 123.03 3nj2 h LEU 30 Ca 0.21 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3nj2 h LEU 30 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3nj2 h LEU 30 CO -0.02 0.64 -0.16 0.58 -0.34 0.00 0.00 178.44 179.14 3nj2 h VAL 31 N 0.77 1.27 0.00 1.05 2.07 -0.92 -1.03 116.25 119.46 3nj2 h VAL 31 Ca 0.20 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 3nj2 h VAL 31 Cb 0.09 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3nj2 h VAL 31 CO -0.03 0.44 -0.79 -0.33 0.02 0.00 0.00 177.57 176.88 3nj2 h GLU 32 N 0.78 0.00 0.11 1.57 4.39 -0.94 -3.36 114.58 117.12 3nj2 h GLU 32 Ca 0.12 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.46 3nj2 h GLU 32 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3nj2 h GLU 32 CO 0.05 0.37 -1.97 1.04 -1.16 0.00 0.00 179.01 177.34 3nj2 n GLN 33 N -3.07 0.74 -1.70 2.33 6.02 -0.05 -4.91 117.38 116.74 3nj2 n GLN 33 Ca -0.02 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 3nj2 n GLN 33 Cb 0.74 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3nj2 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3nj2 s SER 34 N -7.01 6.41 0.37 1.08 0.15 -0.40 -4.87 113.70 109.43 3nj2 s SER 34 Ca -0.24 2.78 0.07 0.00 0.70 0.00 0.00 55.95 59.27 3nj2 s SER 34 Cb 0.07 -2.57 0.72 0.00 -1.71 0.00 0.00 66.02 62.53 3nj2 s SER 34 CO 0.75 -1.01 1.91 -0.65 1.20 0.00 0.00 173.24 175.43 3nj2 h PRO 35 N 8.59 0.38 0.21 5.44 0.11 -1.92 -0.69 132.00 144.12 3nj2 h PRO 35 Ca -0.46 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3nj2 h PRO 35 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3nj2 h PRO 35 CO 0.95 0.45 -0.10 0.35 -0.21 0.00 0.00 178.00 179.44 3nj2 h PHE 36 N 0.37 -0.26 -0.44 0.65 3.57 -1.93 -0.82 116.94 118.07 3nj2 h PHE 36 Ca 0.08 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3nj2 h PHE 36 Cb 0.32 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3nj2 h PHE 36 CO 0.01 -0.01 0.07 -0.07 -2.23 0.00 0.00 178.31 176.08 3nj2 h LEU 37 N -0.49 0.64 -0.74 0.59 3.38 -1.81 0.52 115.31 117.40 3nj2 h LEU 37 Ca -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3nj2 h LEU 37 Cb 0.37 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3nj2 h LEU 37 CO 0.05 0.66 0.45 1.56 0.09 0.00 0.00 178.44 181.25 3nj2 h GLN 38 N 0.66 1.00 -0.69 1.13 1.08 -1.08 0.55 115.11 117.76 3nj2 h GLN 38 Ca 0.14 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3nj2 h GLN 38 Cb 0.31 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3nj2 h GLN 38 CO 0.00 0.70 0.43 1.03 -0.95 0.00 0.00 178.83 180.04 3nj2 h SER 39 N 1.01 0.82 -0.36 1.46 0.87 -0.34 -1.01 113.55 116.00 3nj2 h SER 39 Ca 0.27 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 3nj2 h SER 39 Cb -0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3nj2 h SER 39 CO -0.05 0.63 0.04 0.25 -0.53 0.00 0.00 176.83 177.18 3nj2 h LEU 40 N 0.94 0.58 -0.54 2.23 5.85 -0.56 -2.10 115.31 121.71 3nj2 h LEU 40 Ca 0.25 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3nj2 h LEU 40 Cb -0.05 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3nj2 h LEU 40 CO -0.05 0.71 0.28 0.58 -0.34 0.00 0.00 178.44 179.62 3nj2 h VAL 41 N 0.44 0.96 -0.55 1.05 2.07 -0.72 -1.15 116.25 118.34 3nj2 h VAL 41 Ca 0.11 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3nj2 h VAL 41 Cb 0.38 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3nj2 h VAL 41 CO 0.01 0.10 0.17 -0.61 0.02 0.00 0.00 177.57 177.26 3nj2 h GLN 42 N 0.54 0.32 -0.39 1.57 4.15 -0.91 -1.33 115.11 119.07 3nj2 h GLN 42 Ca 0.24 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 3nj2 h GLN 42 Cb 0.14 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3nj2 h GLN 42 CO -0.16 0.21 -0.04 1.96 -1.93 0.00 0.00 178.83 178.87 3nj2 h GLN 43 N 0.33 0.71 -0.62 1.69 1.08 -0.84 -1.65 115.11 115.81 3nj2 h GLN 43 Ca 0.27 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 3nj2 h GLN 43 Cb 0.34 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 3nj2 h GLN 43 CO -0.30 0.83 0.36 0.82 -0.95 0.00 0.00 178.83 179.58 3nj2 h ILE 44 N 0.52 1.02 0.00 2.54 1.08 -0.86 -1.87 117.51 119.94 3nj2 h ILE 44 Ca 0.10 -0.23 -0.08 0.00 -0.39 0.00 0.00 64.86 64.26 3nj2 h ILE 44 Cb 0.54 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3nj2 h ILE 44 CO 0.03 0.12 -0.39 0.03 -0.69 0.00 0.00 178.15 177.25 3nj2 h ARG 45 N 0.68 0.00 0.00 2.37 3.08 -1.11 -2.74 114.38 116.67 3nj2 h ARG 45 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3nj2 h ARG 45 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3nj2 h ARG 45 CO -0.14 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 3nj2 h ALA 46 N 1.61 1.00 -1.54 0.04 0.00 -0.47 -3.31 119.26 116.59 3nj2 h ALA 46 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3nj2 h ALA 46 Cb 0.77 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.17 3nj2 h ALA 46 CO 0.05 0.00 -0.43 0.66 0.00 0.00 0.00 179.25 179.53 3nj2 n TYR 47 N -2.98 3.43 -3.81 0.00 4.01 -1.03 -4.93 117.16 111.85 3nj2 n TYR 47 Ca 0.03 -3.11 -0.30 0.00 -0.16 0.00 0.00 57.90 54.36 3nj2 n TYR 47 Cb 0.41 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 39.00 3nj2 n TYR 47 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3nj2 s ASP 48 N -3.15 3.93 0.10 7.72 2.15 -1.25 -5.00 116.67 121.18 3nj2 s ASP 48 Ca 0.48 -2.88 -0.33 0.00 0.43 0.00 0.00 52.55 50.25 3nj2 s ASP 48 Cb 0.39 -1.30 -0.13 0.00 -0.30 0.00 0.00 42.92 41.58 3nj2 s ASP 48 CO -0.21 -0.24 1.58 -0.74 -0.17 0.00 0.00 175.17 175.39 3nj2 h HIS 49 N 6.50 -1.24 0.00 -5.34 -0.00 -1.93 -2.64 115.15 110.51 3nj2 h HIS 49 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3nj2 h HIS 49 Cb 0.90 0.51 0.00 0.00 -0.00 0.00 0.00 27.41 28.82 3nj2 h HIS 49 CO 0.51 -0.57 0.00 0.66 -0.00 0.00 0.00 177.93 178.53 3nj2 n TYR 50 N -5.49 0.00 -2.35 5.26 4.01 -1.26 -4.90 117.16 112.42 3nj2 n TYR 50 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3nj2 n TYR 50 Cb 0.40 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3nj2 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nj2 n GLY 51 N 1.06 0.06 0.27 2.72 0.00 -0.99 -4.93 105.19 103.37 3nj2 n GLY 51 Ca 0.15 -0.45 0.16 0.00 0.00 0.00 0.00 46.02 45.88 3nj2 n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3nj2 h VAL 52 N -0.26 0.13 -0.01 1.61 -1.51 -1.90 -2.80 116.25 111.50 3nj2 h VAL 52 Ca -0.22 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3nj2 h VAL 52 Cb 1.16 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3nj2 h VAL 52 CO 0.25 0.05 -0.65 -1.22 -1.23 0.00 0.00 177.57 174.77 3nj2 n TYR 53 N -3.17 0.00 -0.17 5.19 4.01 -1.26 -4.57 117.16 117.19 3nj2 n TYR 53 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.93 3nj2 n TYR 53 Cb 0.33 -0.07 0.55 0.00 -0.31 0.00 0.00 39.34 39.84 3nj2 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nj2 h ARG 54 N 0.85 0.32 -0.41 -0.72 3.08 -1.90 -1.63 114.38 113.97 3nj2 h ARG 54 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3nj2 h ARG 54 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3nj2 h ARG 54 CO 0.00 0.21 0.00 0.25 -1.07 0.00 0.00 179.97 179.36 3nj2 n THR 55 N -4.46 0.53 -4.26 2.04 -2.24 -1.26 -4.96 114.28 99.67 3nj2 n THR 55 Ca 0.16 -0.77 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 3nj2 n THR 55 Cb 0.62 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 3nj2 n THR 55 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3nj2 s TRP 56 N -1.47 2.70 0.90 4.78 0.52 -0.61 -5.12 118.94 120.64 3nj2 s TRP 56 Ca 0.40 -0.19 -0.10 0.00 0.02 0.00 0.00 56.10 56.22 3nj2 s TRP 56 Cb 0.23 -1.33 0.13 0.00 -1.15 0.00 0.00 33.47 31.36 3nj2 s TRP 56 CO 0.32 0.50 1.12 0.95 0.02 0.00 0.00 176.95 179.87 3nj2 s THR 57 N -1.65 2.37 0.28 2.01 -4.23 -1.26 -4.87 115.64 108.30 3nj2 s THR 57 Ca 0.25 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 3nj2 s THR 57 Cb -0.09 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.76 3nj2 s THR 57 CO 0.16 -0.16 1.82 0.44 -0.54 0.00 0.00 174.62 176.35 3nj2 h ASP 58 N -1.74 0.89 -0.60 3.99 3.32 -1.99 -2.01 116.42 118.28 3nj2 h ASP 58 Ca -0.45 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3nj2 h ASP 58 Cb 1.26 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3nj2 h ASP 58 CO 0.45 0.45 0.28 -0.33 -1.72 0.00 0.00 179.24 178.37 3nj2 h GLU 59 N 0.95 0.87 -0.43 3.56 3.07 -1.96 -2.48 114.58 118.15 3nj2 h GLU 59 Ca 0.50 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 3nj2 h GLU 59 Cb 0.54 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3nj2 h GLU 59 CO -0.28 0.70 -0.17 1.25 -1.40 0.00 0.00 179.01 179.11 3nj2 h LEU 60 N 0.82 0.83 -1.42 1.33 5.85 -1.76 -1.72 115.31 119.25 3nj2 h LEU 60 Ca 0.20 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3nj2 h LEU 60 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3nj2 h LEU 60 CO -0.02 1.00 0.27 0.58 -0.34 0.00 0.00 178.44 179.92 3nj2 h VAL 61 N 0.74 1.15 0.00 1.05 2.07 -0.98 -2.80 116.25 117.48 3nj2 h VAL 61 Ca 0.11 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3nj2 h VAL 61 Cb 0.68 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3nj2 h VAL 61 CO 0.05 0.16 -1.16 -0.38 0.02 0.00 0.00 177.57 176.26 3nj2 n ILE 62 N -4.41 0.11 -0.03 4.57 5.41 -0.97 -4.39 119.36 119.65 3nj2 n ILE 62 Ca 0.04 -0.23 0.20 0.00 1.00 0.00 0.00 62.75 63.75 3nj2 n ILE 62 Cb 0.10 0.33 0.66 0.00 -0.71 0.00 0.00 39.64 40.02 3nj2 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3nj2 h ALA 63 N 2.55 2.46 0.00 -1.39 0.00 -1.02 -1.54 119.26 120.31 3nj2 h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3nj2 h ALA 63 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3nj2 h ALA 63 CO 0.00 -0.61 0.00 -2.30 0.00 0.00 0.00 179.25 176.34 3nj2 n PRO 64 N -4.39 0.10 0.24 0.00 -0.02 -1.26 -1.26 135.00 128.41 3nj2 n PRO 64 Ca 0.11 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3nj2 n PRO 64 Cb 0.60 -1.75 0.39 0.00 -0.02 0.00 0.00 33.50 32.73 3nj2 n PRO 64 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3nj2 h TYR 65 N 0.00 0.00 -3.59 6.00 -1.99 -1.61 -3.44 116.97 112.34 3nj2 h TYR 65 Ca 0.00 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.07 3nj2 h TYR 65 Cb 0.16 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 38.65 3nj2 h TYR 65 CO 0.00 0.00 -0.64 0.08 -0.00 0.00 0.00 178.16 177.60 3nj2 s VAL 66 N -3.41 4.08 -0.10 -2.88 1.01 -0.39 -0.81 120.40 117.90 3nj2 s VAL 66 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3nj2 s VAL 66 Cb 0.07 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3nj2 s VAL 66 CO 0.61 0.30 0.23 -0.63 0.00 0.00 0.00 175.10 175.61 3nj2 s ILE 67 N 1.57 -0.14 0.27 2.22 1.01 -0.32 -4.91 121.20 120.90 3nj2 s ILE 67 Ca 0.05 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3nj2 s ILE 67 Cb -0.15 -0.37 -0.14 0.00 0.01 0.00 0.00 42.46 41.81 3nj2 s ILE 67 CO 0.02 0.08 1.21 -2.65 0.00 0.00 0.00 174.94 173.60 3nj2 n PRO 68 N 4.55 1.70 -0.30 2.79 -0.02 -1.26 -4.13 135.00 138.32 3nj2 n PRO 68 Ca -0.20 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3nj2 n PRO 68 Cb 0.52 -2.12 0.30 0.00 -0.02 0.00 0.00 33.50 32.18 3nj2 n PRO 68 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3nj2 h LYS 69 N 2.92 0.14 -0.33 -0.52 3.64 -1.90 0.53 116.57 121.05 3nj2 h LYS 69 Ca -0.43 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.85 3nj2 h LYS 69 Cb 1.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3nj2 h LYS 69 CO 0.66 0.09 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.58 3nj2 h LYS 70 N 0.15 0.68 -0.54 1.90 1.63 -2.00 -0.38 116.57 118.00 3nj2 h LYS 70 Ca 0.57 -0.29 -0.10 0.00 -0.85 0.00 0.00 60.65 59.98 3nj2 h LYS 70 Cb 1.17 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 3nj2 h LYS 70 CO -0.72 0.88 -0.06 -0.22 -3.45 0.00 0.00 179.45 175.88 3nj2 h LYS 71 N 0.45 1.00 -0.31 1.90 3.64 -1.54 -3.12 116.57 118.59 3nj2 h LYS 71 Ca 0.08 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3nj2 h LYS 71 Cb 0.66 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3nj2 h LYS 71 CO 0.04 1.03 0.18 -0.09 -2.27 0.00 0.00 179.45 178.34 3nj2 h ARG 72 N 0.87 0.36 -0.04 1.90 2.43 -0.61 -2.44 114.38 116.85 3nj2 h ARG 72 Ca 0.15 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3nj2 h ARG 72 Cb 0.62 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3nj2 h ARG 72 CO 0.04 0.24 0.05 0.07 -1.51 0.00 0.00 179.97 178.87 3nj2 h ARG 73 N 0.38 0.00 -0.02 0.20 0.11 -1.02 -2.22 114.38 111.82 3nj2 h ARG 73 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3nj2 h ARG 73 Cb -0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3nj2 h ARG 73 CO -0.06 0.00 -0.11 0.39 0.10 0.00 0.00 179.97 180.30 3nj2 n GLU 74 N -3.78 1.53 -2.20 0.08 1.02 -0.93 -4.91 120.64 111.45 3nj2 n GLU 74 Ca -0.02 -1.01 -0.42 0.00 -0.02 0.00 0.00 57.16 55.70 3nj2 n GLU 74 Cb 0.14 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3nj2 n GLU 74 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3nj2 s ILE 75 N -2.17 3.26 0.27 -3.67 1.01 -0.84 -5.00 121.20 114.07 3nj2 s ILE 75 Ca 0.31 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 3nj2 s ILE 75 Cb 0.20 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 3nj2 s ILE 75 CO 0.40 0.12 1.22 -0.55 0.00 0.00 0.00 174.94 176.13 3nj2 s SER 76 N 0.63 7.01 0.00 3.58 0.15 -1.26 -4.86 113.70 118.95 3nj2 s SER 76 Ca 0.60 2.44 0.20 0.00 0.70 0.00 0.00 55.95 59.89 3nj2 s SER 76 Cb -0.36 -2.63 0.69 0.00 -1.71 0.00 0.00 66.02 62.01 3nj2 s SER 76 CO 0.35 -0.37 1.51 0.18 1.20 0.00 0.00 173.24 176.11 3nj2 n LEU 77 N 1.43 1.82 -0.18 3.45 4.77 -1.26 -4.57 117.00 122.46 3nj2 n LEU 77 Ca 0.01 -0.78 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3nj2 n LEU 77 Cb 0.43 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3nj2 n LEU 77 CO 0.57 0.39 0.75 -0.33 -1.33 0.00 0.00 177.39 177.44 3nj2 h GLU 78 N 2.38 1.01 -7.16 3.23 5.08 -1.92 -3.44 114.58 113.76 3nj2 h GLU 78 Ca 0.00 -0.37 -0.44 0.00 -1.00 0.00 0.00 59.36 57.55 3nj2 h GLU 78 Cb 0.52 -0.07 0.21 0.00 0.50 0.00 0.00 28.75 29.92 3nj2 h GLU 78 CO 0.00 1.06 0.02 0.20 -1.00 0.00 0.00 179.01 179.29 3nj2 s GLY 79 N -3.67 1.54 0.93 -3.84 0.00 -1.26 -4.99 107.32 96.04 3nj2 s GLY 79 Ca -0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 44.72 44.32 3nj2 s GLY 79 CO 0.86 0.57 0.29 1.22 0.00 0.00 0.00 173.10 176.04 3nj2 n ASP 80 N -4.90 -2.42 -4.76 1.64 9.92 -1.26 -4.81 116.55 109.97 3nj2 n ASP 80 Ca 0.03 0.34 -0.41 0.00 -0.53 0.00 0.00 54.79 54.22 3nj2 n ASP 80 Cb 0.54 -1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 3nj2 n ASP 80 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3nj2 s ILE 81 N -2.31 2.69 0.10 0.53 2.07 -1.26 -4.93 121.20 118.09 3nj2 s ILE 81 Ca 0.56 0.64 -0.36 0.00 -1.41 0.00 0.00 60.65 60.08 3nj2 s ILE 81 Cb -0.22 -3.41 -0.16 0.00 0.13 0.00 0.00 42.46 38.80 3nj2 s ILE 81 CO 0.68 0.13 1.37 -0.67 -1.91 0.00 0.00 174.94 174.54 3nj2 n ASP 82 N 1.51 1.85 0.28 4.50 2.03 -1.26 -4.84 116.55 120.62 3nj2 n ASP 82 Ca 0.03 1.11 0.11 0.00 0.52 0.00 0.00 54.79 56.57 3nj2 n ASP 82 Cb 0.41 -1.23 0.77 0.00 -0.72 0.00 0.00 41.12 40.36 3nj2 n ASP 82 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3nj2 h PRO 83 N 4.74 0.00 -0.42 -0.67 0.11 -1.99 -0.35 132.00 133.42 3nj2 h PRO 83 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3nj2 h PRO 83 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 3nj2 h PRO 83 CO 0.79 0.01 -0.00 1.15 -0.21 0.00 0.00 178.00 179.74 3nj2 h THR 84 N 0.00 1.26 -0.46 -1.15 2.02 -1.99 -1.13 112.91 111.45 3nj2 h THR 84 Ca -0.00 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 3nj2 h THR 84 Cb 0.03 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3nj2 h THR 84 CO 0.00 0.35 0.18 0.74 0.37 0.00 0.00 175.52 177.16 3nj2 h THR 85 N 0.57 1.21 -0.86 3.16 2.02 -1.74 0.06 112.91 117.34 3nj2 h THR 85 Ca 0.12 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.70 3nj2 h THR 85 Cb 0.49 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3nj2 h THR 85 CO 0.02 0.24 0.53 0.50 0.37 0.00 0.00 175.52 177.19 3nj2 h LYS 86 N 0.61 0.95 -0.37 6.66 3.64 -1.03 -1.12 116.57 125.91 3nj2 h LYS 86 Ca 0.15 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3nj2 h LYS 86 Cb 0.20 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3nj2 h LYS 86 CO -0.01 0.63 -0.14 1.25 -2.27 0.00 0.00 179.45 178.90 3nj2 h LEU 87 N 0.97 0.65 -0.49 5.20 5.85 -0.83 0.05 115.31 126.72 3nj2 h LEU 87 Ca 0.37 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3nj2 h LEU 87 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3nj2 h LEU 87 CO -0.17 0.82 0.31 0.03 -0.34 0.00 0.00 178.44 179.09 3nj2 h ARG 88 N 0.60 0.62 -0.37 1.25 3.08 -0.19 0.89 114.38 120.27 3nj2 h ARG 88 Ca 0.10 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 3nj2 h ARG 88 Cb 0.59 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3nj2 h ARG 88 CO 0.04 0.41 -0.34 0.82 -1.07 0.00 0.00 179.97 179.83 3nj2 h ILE 89 N 0.64 1.28 -0.97 2.04 2.04 -0.71 -1.57 117.51 120.25 3nj2 h ILE 89 Ca 0.18 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3nj2 h ILE 89 Cb -0.05 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3nj2 h ILE 89 CO -0.05 0.50 0.61 0.25 0.00 0.00 0.00 178.15 179.46 3nj2 h LEU 90 N 0.69 1.15 -0.74 1.44 5.85 -0.65 -2.08 115.31 120.97 3nj2 h LEU 90 Ca 0.07 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3nj2 h LEU 90 Cb 0.90 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3nj2 h LEU 90 CO 0.08 0.86 -0.45 0.00 -0.34 0.00 0.00 178.44 178.60 3nj2 h TYR 92 N 0.33 -0.11 -0.10 0.00 3.20 -0.98 0.12 116.97 119.44 3nj2 h TYR 92 Ca 0.02 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3nj2 h TYR 92 Cb 0.92 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3nj2 h TYR 92 CO 0.03 -0.07 -0.54 0.74 -1.64 0.00 0.00 178.16 176.68 3nj2 h PHE 93 N -0.05 0.35 -0.13 -3.82 0.04 -0.93 -1.97 116.94 110.42 3nj2 h PHE 93 Ca 0.04 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 3nj2 h PHE 93 Cb 0.11 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3nj2 h PHE 93 CO -0.14 0.76 -0.27 0.00 -0.60 0.00 0.00 178.31 178.06 3nj2 h ARG 94 N 0.22 0.24 -0.58 1.51 3.08 -0.37 -0.91 114.38 117.56 3nj2 h ARG 94 Ca 0.00 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 3nj2 h ARG 94 Cb 1.02 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3nj2 h ARG 94 CO 0.09 0.49 -0.01 0.00 -1.07 0.00 0.00 179.97 179.46 3nj2 h ALA 95 N 1.51 0.79 -0.23 0.04 0.00 -0.29 0.21 119.26 121.30 3nj2 h ALA 95 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3nj2 h ALA 95 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3nj2 h ALA 95 CO 0.04 0.63 -0.06 0.82 0.00 0.00 0.00 179.25 180.69 3nj2 h ILE 96 N 0.93 1.29 -0.55 0.00 2.04 -1.14 -2.71 117.51 117.36 3nj2 h ILE 96 Ca 0.16 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3nj2 h ILE 96 Cb 0.57 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3nj2 h ILE 96 CO 0.03 0.33 0.25 0.00 0.00 0.00 0.00 178.15 178.76 3nj2 h ALA 97 N 0.75 0.71 -0.44 1.87 0.00 -0.97 -1.63 119.26 119.55 3nj2 h ALA 97 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3nj2 h ALA 97 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3nj2 h ALA 97 CO 0.02 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.71 3nj2 h ALA 98 N 1.09 1.42 -0.30 0.00 0.00 -0.46 -0.32 119.26 120.69 3nj2 h ALA 98 Ca 0.19 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3nj2 h ALA 98 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3nj2 h ALA 98 CO -0.02 0.43 -0.46 -0.07 0.00 0.00 0.00 179.25 179.13 3nj2 h LEU 99 N 0.63 0.92 -0.40 0.00 3.38 -1.13 -0.53 115.31 118.18 3nj2 h LEU 99 Ca 0.15 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3nj2 h LEU 99 Cb 0.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3nj2 h LEU 99 CO -0.01 1.25 0.17 0.40 0.09 0.00 0.00 178.44 180.35 3nj2 h ILE 100 N 0.61 0.93 -0.45 1.22 2.04 -0.81 -1.22 117.51 119.84 3nj2 h ILE 100 Ca 0.03 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3nj2 h ILE 100 Cb 1.06 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3nj2 h ILE 100 CO 0.11 0.06 0.17 -0.08 0.00 0.00 0.00 178.15 178.41 3nj2 h GLU 101 N 0.35 0.67 -0.67 2.37 4.81 -0.99 -1.19 114.58 119.94 3nj2 h GLU 101 Ca 0.18 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3nj2 h GLU 101 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3nj2 h GLU 101 CO -0.15 0.62 0.43 0.87 -0.73 0.00 0.00 179.01 180.06 3nj2 h LYS 102 N 0.58 0.89 0.00 1.92 1.57 -0.77 0.77 116.57 121.53 3nj2 h LYS 102 Ca 0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3nj2 h LYS 102 Cb 0.21 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3nj2 h LYS 102 CO -0.01 0.60 -0.96 0.93 -0.57 0.00 0.00 179.45 179.44 3nj2 h GLU 103 N 0.91 0.00 0.00 3.15 4.39 -1.10 -3.39 114.58 118.55 3nj2 h GLU 103 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3nj2 h GLU 103 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3nj2 h GLU 103 CO -0.05 0.20 -1.06 0.25 -1.16 0.00 0.00 179.01 177.19 3nj2 n THR 104 N -2.90 0.00 -0.25 1.13 -2.24 -0.46 -5.00 114.28 104.55 3nj2 n THR 104 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3nj2 n THR 104 Cb 0.69 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3nj2 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nj2 n GLY 105 N 1.90 1.98 3.66 3.38 0.00 0.26 -5.01 105.19 111.35 3nj2 n GLY 105 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3nj2 n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3nj2 s LEU 106 N 0.00 4.11 0.08 0.99 2.96 -1.25 -4.98 118.68 120.59 3nj2 s LEU 106 Ca 0.00 1.52 -0.31 0.00 -0.22 0.00 0.00 54.13 55.13 3nj2 s LEU 106 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 3nj2 s LEU 106 CO 0.00 -0.78 1.50 -0.76 -1.32 0.00 0.00 176.35 174.99 3nj2 s LEU 107 N 3.53 4.36 0.05 -0.68 1.43 -1.26 -4.05 118.68 122.06 3nj2 s LEU 107 Ca 0.52 2.37 0.09 0.00 -1.03 0.00 0.00 54.13 56.08 3nj2 s LEU 107 Cb -0.19 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3nj2 s LEU 107 CO 0.13 -0.77 -0.25 0.00 0.23 0.00 0.00 176.35 175.69 3nj2 s GLN 109 N -1.30 1.54 -0.04 0.00 -0.21 0.01 -4.96 119.66 114.71 3nj2 s GLN 109 Ca 0.11 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 54.01 3nj2 s GLN 109 Cb -0.10 -1.86 -0.00 0.00 1.00 0.00 0.00 33.01 32.05 3nj2 s GLN 109 CO 0.02 0.40 -0.16 0.08 -2.12 0.00 0.00 175.29 173.51 3nj2 s VAL 110 N -1.69 1.36 -0.02 1.09 1.01 -1.26 -1.50 120.40 119.40 3nj2 s VAL 110 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3nj2 s VAL 110 Cb -0.08 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 3nj2 s VAL 110 CO 0.10 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 174.79 3nj2 s VAL 111 N 0.08 0.93 -0.27 2.92 1.01 -0.49 -5.02 120.40 119.55 3nj2 s VAL 111 Ca -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3nj2 s VAL 111 Cb -0.11 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.52 3nj2 s VAL 111 CO 0.02 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 3nj2 s VAL 112 N -0.06 2.54 -0.22 2.92 1.01 -1.26 -0.50 120.40 124.83 3nj2 s VAL 112 Ca 0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.53 3nj2 s VAL 112 Cb -0.07 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3nj2 s VAL 112 CO 0.00 0.00 -0.08 -0.62 0.00 0.00 0.00 175.10 174.40 3nj2 s ASP 113 N 1.19 4.02 0.01 3.32 2.15 -0.06 -5.01 116.67 122.31 3nj2 s ASP 113 Ca -0.06 -0.59 0.06 0.00 0.43 0.00 0.00 52.55 52.39 3nj2 s ASP 113 Cb -0.19 -1.66 -0.02 0.00 -0.30 0.00 0.00 42.92 40.75 3nj2 s ASP 113 CO -0.04 -0.05 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.99 3nj2 s LEU 114 N 1.39 2.09 0.76 -1.34 1.43 -1.26 -1.05 118.68 120.70 3nj2 s LEU 114 Ca 0.04 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 3nj2 s LEU 114 Cb -0.15 -0.82 0.14 0.00 0.03 0.00 0.00 46.19 45.40 3nj2 s LEU 114 CO -0.06 0.16 1.05 0.54 0.23 0.00 0.00 176.35 178.27 3nj2 s ASN 115 N -0.73 4.12 0.61 2.29 2.20 -0.39 -4.93 114.94 118.12 3nj2 s ASN 115 Ca 0.06 -0.30 0.32 0.00 -0.94 0.00 0.00 52.86 51.99 3nj2 s ASN 115 Cb -0.07 -0.00 1.86 0.00 -2.00 0.00 0.00 41.25 41.03 3nj2 s ASN 115 CO 0.00 -2.02 2.18 1.12 -2.94 0.00 0.00 177.10 175.44 3nj2 h HIS 116 N -0.71 0.00 -0.00 1.54 2.07 -1.93 -1.88 115.15 114.24 3nj2 h HIS 116 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 3nj2 h HIS 116 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3nj2 h HIS 116 CO -0.36 0.00 -0.01 0.39 -3.07 0.00 0.00 177.93 174.88 3nj2 n GLU 117 N -3.58 1.02 -0.90 5.12 1.02 -1.26 -4.41 120.64 117.64 3nj2 n GLU 117 Ca -0.01 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3nj2 n GLU 117 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3nj2 n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nj2 n GLY 118 N 1.09 0.47 3.46 0.62 0.00 -0.71 -4.43 105.19 105.68 3nj2 n GLY 118 Ca 0.21 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3nj2 n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nj2 s PHE 119 N -2.00 2.63 0.00 1.61 5.36 -1.26 -0.93 117.98 123.40 3nj2 s PHE 119 Ca 0.00 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 3nj2 s PHE 119 Cb 0.00 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 3nj2 s PHE 119 CO 0.00 0.18 0.00 0.41 -1.46 0.00 0.00 175.22 174.35 3nj2 n GLY 120 N 2.14 -0.70 3.00 13.12 0.00 0.06 -1.26 105.19 121.55 3nj2 n GLY 120 Ca -0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3nj2 n GLY 120 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nj2 s TRP 121 N -2.98 0.06 -0.19 1.61 0.52 -0.22 -0.84 118.94 116.91 3nj2 s TRP 121 Ca 0.00 -0.13 -0.03 0.00 0.02 0.00 0.00 56.10 55.96 3nj2 s TRP 121 Cb 0.00 -0.06 -0.02 0.00 -1.15 0.00 0.00 33.47 32.24 3nj2 s TRP 121 CO 0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 176.95 176.77 3nj2 s ALA 122 N -0.80 2.86 -0.08 0.98 0.00 0.19 -0.88 121.76 124.03 3nj2 s ALA 122 Ca -0.09 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3nj2 s ALA 122 Cb -0.05 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.47 3nj2 s ALA 122 CO 0.00 -0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 174.96 3nj2 s LEU 123 N 0.95 1.85 -0.10 0.00 1.43 0.35 -0.85 118.68 122.31 3nj2 s LEU 123 Ca -0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3nj2 s LEU 123 Cb -0.15 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.98 3nj2 s LEU 123 CO 0.01 0.09 -0.16 -0.69 0.23 0.00 0.00 176.35 175.83 3nj2 s VAL 124 N 0.52 1.54 0.05 -1.59 1.01 -0.19 -1.40 120.40 120.34 3nj2 s VAL 124 Ca -0.17 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3nj2 s VAL 124 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3nj2 s VAL 124 CO 0.06 0.45 -0.06 -1.66 0.00 0.00 0.00 175.10 173.89 3nj2 s TRP 125 N 0.80 0.60 -0.02 5.22 -2.14 -0.56 -0.83 118.94 122.01 3nj2 s TRP 125 Ca -0.11 -0.69 -0.01 0.00 2.66 0.00 0.00 56.10 57.96 3nj2 s TRP 125 Cb -0.16 -0.38 0.02 0.00 -3.10 0.00 0.00 33.47 29.86 3nj2 s TRP 125 CO 0.01 -0.17 0.04 0.20 -2.66 0.00 0.00 176.95 174.37 3nj2 s GLY 126 N -2.09 0.04 0.00 3.67 0.00 -0.52 -0.81 107.32 107.61 3nj2 s GLY 126 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3nj2 s GLY 126 CO -0.03 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.18 3nj2 n GLY 127 N 3.79 3.61 0.89 0.20 0.00 -1.24 -1.05 105.19 111.39 3nj2 n GLY 127 Ca -0.22 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3nj2 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3nj2 n LYS 128 N 13.94 1.73 -3.78 1.61 5.02 -0.68 -4.87 118.16 131.13 3nj2 n LYS 128 Ca 0.00 -3.22 -0.36 0.00 -2.02 0.00 0.00 58.31 52.71 3nj2 n LYS 128 Cb 0.00 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.17 3nj2 n LYS 128 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3nj2 s LEU 129 N -3.23 3.72 -0.61 -0.35 2.96 -0.21 -4.91 118.68 116.04 3nj2 s LEU 129 Ca 0.41 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.98 3nj2 s LEU 129 Cb 0.39 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 45.10 3nj2 s LEU 129 CO -0.03 0.02 1.35 -0.04 -1.32 0.00 0.00 176.35 176.33 3nj2 s MET 130 N 1.30 3.30 0.21 1.98 -1.94 -1.26 -1.43 119.30 121.46 3nj2 s MET 130 Ca 0.06 0.24 0.21 0.00 -1.71 0.00 0.00 55.69 54.49 3nj2 s MET 130 Cb -0.15 -4.12 0.02 0.00 2.01 0.00 0.00 34.83 32.60 3nj2 s MET 130 CO 0.05 -1.96 1.10 -0.39 -0.01 0.00 0.00 175.02 173.80 3nj2 h VAL 131 N 6.26 0.13 -3.58 -6.03 -1.51 -1.34 -3.44 116.25 106.74 3nj2 h VAL 131 Ca -0.27 -1.24 -0.31 0.00 -1.23 0.00 0.00 66.70 63.66 3nj2 h VAL 131 Cb 1.08 1.71 -0.32 0.00 -2.13 0.00 0.00 31.29 31.62 3nj2 h VAL 131 CO 1.21 0.08 -0.74 -0.69 -1.23 0.00 0.00 177.57 176.20 3nj2 s VAL 132 N -3.24 0.09 -0.41 7.19 1.01 -0.85 -4.06 120.40 120.12 3nj2 s VAL 132 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3nj2 s VAL 132 Cb 0.09 -0.17 0.17 0.00 0.00 0.00 0.00 36.38 36.46 3nj2 s VAL 132 CO 0.78 0.10 0.38 -0.94 0.00 0.00 0.00 175.10 175.42 3nj2 s SER 133 N 0.76 1.18 -0.22 3.32 1.04 -1.26 -1.02 113.70 117.50 3nj2 s SER 133 Ca -0.07 -2.58 -0.07 0.00 0.48 0.00 0.00 55.95 53.71 3nj2 s SER 133 Cb -0.10 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3nj2 s SER 133 CO -0.02 -0.18 0.04 -0.60 0.98 0.00 0.00 173.24 173.46 3nj2 s ARG 134 N 0.48 3.68 -0.03 4.02 3.52 -0.03 -4.97 118.95 125.62 3nj2 s ARG 134 Ca 0.29 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 3nj2 s ARG 134 Cb -0.03 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3nj2 s ARG 134 CO -0.13 -0.06 1.26 0.45 -0.81 0.00 0.00 175.30 176.01 3nj2 s SER 135 N 1.24 7.00 -0.15 -2.12 0.15 -1.26 -0.64 113.70 117.92 3nj2 s SER 135 Ca 0.04 1.91 -0.05 0.00 0.70 0.00 0.00 55.95 58.56 3nj2 s SER 135 Cb -0.15 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 3nj2 s SER 135 CO 0.03 -0.62 0.01 -0.76 1.20 0.00 0.00 173.24 173.11 3nj2 s LEU 136 N 2.19 3.58 0.03 3.45 1.43 -0.02 -4.93 118.68 124.41 3nj2 s LEU 136 Ca 0.58 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3nj2 s LEU 136 Cb -0.27 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3nj2 s LEU 136 CO 0.24 0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.99 3nj2 s ARG 137 N -0.00 0.45 -1.46 1.70 1.70 -1.25 -0.76 118.95 119.33 3nj2 s ARG 137 Ca 0.03 -0.73 -0.10 0.00 -0.47 0.00 0.00 55.73 54.47 3nj2 s ARG 137 Cb -0.13 -0.10 0.06 0.00 -0.57 0.00 0.00 34.95 34.21 3nj2 s ARG 137 CO 0.02 0.00 0.92 -0.25 -1.08 0.00 0.00 175.30 174.91 3nj2 n ASP 138 N 1.43 -3.87 0.28 -2.89 8.00 -0.64 -4.82 116.55 114.03 3nj2 n ASP 138 Ca -0.23 -0.77 0.14 0.00 0.71 0.00 0.00 54.79 54.64 3nj2 n ASP 138 Cb 0.55 -4.02 0.84 0.00 -0.02 0.00 0.00 41.12 38.47 3nj2 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nj2 h ALA 139 N 0.94 1.45 -0.52 2.24 0.00 -1.30 -0.79 119.26 121.28 3nj2 h ALA 139 Ca -0.59 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.37 3nj2 h ALA 139 Cb 1.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3nj2 h ALA 139 CO 0.63 0.06 0.35 0.45 0.00 0.00 0.00 179.25 180.75 3nj2 h HIS 140 N 0.00 0.33 -0.26 0.00 3.86 -1.88 -1.15 115.15 116.05 3nj2 h HIS 140 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3nj2 h HIS 140 Cb 0.13 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3nj2 h HIS 140 CO 0.00 0.16 0.00 0.54 0.86 0.00 0.00 177.93 179.49 3nj2 n ARG 141 N -4.46 1.78 -1.64 2.45 1.74 -0.30 -4.98 116.66 111.25 3nj2 n ARG 141 Ca 0.08 -1.02 -0.47 0.00 -0.77 0.00 0.00 57.85 55.68 3nj2 n ARG 141 Cb 0.36 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 3nj2 n ARG 141 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3nj2 n PHE 142 N 0.29 1.87 0.00 -1.55 7.35 -0.44 -4.87 117.46 120.10 3nj2 n PHE 142 Ca 0.09 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 3nj2 n PHE 142 Cb 0.30 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.72 3nj2 n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3nj2 n GLY 143 N 2.33 1.02 3.01 7.13 0.00 -1.26 -4.97 105.19 112.45 3nj2 n GLY 143 Ca 0.14 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 3nj2 n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nj2 s PHE 144 N -1.95 0.57 0.38 1.61 0.08 0.01 -4.95 117.98 113.73 3nj2 s PHE 144 Ca 0.00 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 56.83 3nj2 s PHE 144 Cb 0.00 -0.35 0.81 0.00 -0.57 0.00 0.00 43.02 42.91 3nj2 s PHE 144 CO 0.00 -0.05 1.96 -0.44 -0.10 0.00 0.00 175.22 176.59 3nj2 h ASP 145 N 5.24 0.59 -5.11 1.36 3.32 -1.88 -0.83 116.42 119.12 3nj2 h ASP 145 Ca -0.32 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 3nj2 h ASP 145 Cb 1.20 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 3nj2 h ASP 145 CO 0.45 0.37 -0.15 0.42 -1.72 0.00 0.00 179.24 178.62 3nj2 s THR 146 N -5.61 0.08 0.27 0.35 -4.23 -1.26 -4.53 115.64 100.71 3nj2 s THR 146 Ca -0.09 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3nj2 s THR 146 Cb 0.19 -1.29 0.26 0.00 1.34 0.00 0.00 72.50 73.01 3nj2 s THR 146 CO 0.77 -0.37 1.85 -0.07 -0.54 0.00 0.00 174.62 176.25 3nj2 h LEU 147 N 2.45 0.91 -0.59 4.79 3.38 -1.96 -1.76 115.31 122.53 3nj2 h LEU 147 Ca -0.33 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3nj2 h LEU 147 Cb 1.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3nj2 h LEU 147 CO 0.48 0.53 0.31 -0.33 0.09 0.00 0.00 178.44 179.52 3nj2 h GLU 148 N 1.01 0.57 -0.36 1.13 3.07 -1.98 0.51 114.58 118.52 3nj2 h GLU 148 Ca 0.45 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.14 3nj2 h GLU 148 Cb 0.35 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3nj2 h GLU 148 CO -0.23 0.37 -0.33 0.87 -1.40 0.00 0.00 179.01 178.29 3nj2 h LYS 149 N 0.58 0.80 -0.18 2.33 1.57 -1.85 0.39 116.57 120.22 3nj2 h LYS 149 Ca 0.27 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3nj2 h LYS 149 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3nj2 h LYS 149 CO -0.18 1.01 0.09 1.25 -0.57 0.00 0.00 179.45 181.05 3nj2 h LEU 150 N 0.67 0.13 -0.49 2.94 5.85 -1.04 -1.14 115.31 122.24 3nj2 h LEU 150 Ca 0.07 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3nj2 h LEU 150 Cb 0.88 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3nj2 h LEU 150 CO 0.08 0.10 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.08 3nj2 h ASN 151 N 0.19 0.91 -0.30 1.25 -1.24 -0.68 -1.31 115.58 114.40 3nj2 h ASN 151 Ca 0.07 -0.34 -0.15 0.00 0.71 0.00 0.00 56.30 56.60 3nj2 h ASN 151 Cb 0.02 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 3nj2 h ASN 151 CO -0.05 1.04 -0.38 0.44 -1.29 0.00 0.00 177.43 177.18 3nj2 h ASP 152 N 0.76 0.86 -0.48 1.15 3.32 -0.85 -0.72 116.42 120.46 3nj2 h ASP 152 Ca 0.13 -0.50 -0.09 0.00 0.02 0.00 0.00 57.03 56.60 3nj2 h ASP 152 Cb 0.61 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3nj2 h ASP 152 CO 0.04 1.18 -0.04 1.56 -1.72 0.00 0.00 179.24 180.26 3nj2 h GLN 153 N 0.55 0.88 -0.48 3.56 4.20 -1.12 0.05 115.11 122.76 3nj2 h GLN 153 Ca 0.04 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 3nj2 h GLN 153 Cb 0.97 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3nj2 h GLN 153 CO 0.09 0.94 -0.10 0.78 -0.67 0.00 0.00 178.83 179.87 3nj2 h GLY 154 N 0.73 0.94 0.90 3.46 0.00 -1.17 -1.89 103.07 106.05 3nj2 h GLY 154 Ca 0.13 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3nj2 h GLY 154 CO 0.03 0.66 0.07 -0.84 0.00 0.00 0.00 176.54 176.47 3nj2 h THR 155 N 0.79 1.13 -0.46 4.70 2.02 -1.04 -1.02 112.91 119.02 3nj2 h THR 155 Ca 0.13 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.96 3nj2 h THR 155 Cb 0.61 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3nj2 h THR 155 CO 0.04 0.12 0.22 0.50 0.37 0.00 0.00 175.52 176.77 3nj2 h LYS 156 N 0.11 0.43 -0.51 6.66 3.64 -0.88 0.23 116.57 126.26 3nj2 h LYS 156 Ca 0.05 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3nj2 h LYS 156 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3nj2 h LYS 156 CO -0.01 0.28 0.02 -0.07 -2.27 0.00 0.00 179.45 177.40 3nj2 h LEU 157 N 0.44 0.81 -0.20 5.20 3.38 -1.16 0.02 115.31 123.80 3nj2 h LEU 157 Ca 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3nj2 h LEU 157 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3nj2 h LEU 157 CO -0.16 0.86 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 3nj2 h ALA 158 N 1.23 0.27 -0.53 1.53 0.00 -0.67 -1.46 119.26 119.64 3nj2 h ALA 158 Ca 0.15 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3nj2 h ALA 158 Cb 0.45 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3nj2 h ALA 158 CO 0.02 -0.00 0.08 -0.91 0.00 0.00 0.00 179.25 178.44 3nj2 h ASN 159 N 0.12 -0.06 -0.15 0.00 -0.26 -0.38 -0.12 115.58 114.72 3nj2 h ASN 159 Ca 0.06 0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 3nj2 h ASN 159 Cb 0.41 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 3nj2 h ASN 159 CO 0.01 -0.00 -0.16 0.00 -1.06 0.00 0.00 177.43 176.22 3nj2 h ALA 160 N 1.43 1.15 -0.56 -0.83 0.00 -0.83 -0.98 119.26 118.64 3nj2 h ALA 160 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3nj2 h ALA 160 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3nj2 h ALA 160 CO -0.37 0.54 0.22 0.78 0.00 0.00 0.00 179.25 180.41 3nj2 h GLY 161 N 0.96 0.91 0.73 0.00 0.00 -0.74 -1.76 103.07 103.18 3nj2 h GLY 161 Ca 0.09 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 46.96 3nj2 h GLY 161 CO 0.04 0.47 0.29 -2.22 0.00 0.00 0.00 176.54 175.12 3nj2 h ILE 162 N 0.77 0.97 -0.74 2.60 2.04 -0.55 -1.89 117.51 120.72 3nj2 h ILE 162 Ca 0.19 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3nj2 h ILE 162 Cb 0.21 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3nj2 h ILE 162 CO -0.01 0.10 0.49 -0.33 0.00 0.00 0.00 178.15 178.40 3nj2 h GLU 163 N 0.56 0.96 -0.33 2.37 5.08 -0.94 -1.58 114.58 120.70 3nj2 h GLU 163 Ca 0.24 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3nj2 h GLU 163 Cb 0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3nj2 h GLU 163 CO -0.16 0.63 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.40 3nj2 h LEU 164 N 0.99 0.58 -0.90 1.33 3.38 -0.64 0.20 115.31 120.26 3nj2 h LEU 164 Ca 0.27 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3nj2 h LEU 164 Cb -0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3nj2 h LEU 164 CO -0.06 0.77 0.54 0.58 0.09 0.00 0.00 178.44 180.36 3nj2 h VAL 165 N 0.39 1.25 -0.09 1.22 2.07 -1.02 -1.34 116.25 118.72 3nj2 h VAL 165 Ca 0.09 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3nj2 h VAL 165 Cb 0.48 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3nj2 h VAL 165 CO 0.02 0.26 -0.28 0.78 0.02 0.00 0.00 177.57 178.37 3nj2 h ASN 166 N 1.23 0.16 1.17 0.57 2.35 -0.94 -2.83 115.58 117.30 3nj2 h ASN 166 Ca 0.32 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.86 3nj2 h ASN 166 Cb -0.06 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3nj2 h ASN 166 CO -0.06 0.45 -0.85 0.50 -1.65 0.00 0.00 177.43 175.82 3nj2 h LYS 167 N 0.15 0.00 -1.49 0.81 3.64 -0.18 -3.40 116.57 116.11 3nj2 h LYS 167 Ca 0.02 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.93 3nj2 h LYS 167 Cb 0.57 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.98 3nj2 h LYS 167 CO 0.04 0.66 -1.00 1.19 -2.27 0.00 0.00 179.45 178.07 3nj2 n PHE 168 N -3.23 1.95 0.29 1.91 3.72 -0.58 -4.88 117.46 116.65 3nj2 n PHE 168 Ca -0.01 -3.22 0.15 0.00 -0.05 0.00 0.00 57.45 54.32 3nj2 n PHE 168 Cb 0.84 -0.32 0.90 0.00 -0.94 0.00 0.00 39.48 39.96 3nj2 n PHE 168 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3nj2 h PRO 169 N 2.88 0.00 0.00 -1.08 0.13 -1.77 -1.42 132.00 130.75 3nj2 h PRO 169 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3nj2 h PRO 169 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3nj2 h PRO 169 CO 0.64 0.03 -0.05 1.05 -0.23 0.00 0.00 178.00 179.43 3nj2 h GLU 170 N 0.00 0.00 0.03 0.86 9.09 -1.91 -1.80 114.58 120.86 3nj2 h GLU 170 Ca -0.00 0.00 -0.38 0.00 0.05 0.00 0.00 59.36 59.03 3nj2 h GLU 170 Cb 0.10 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.14 3nj2 h GLU 170 CO 0.00 0.05 -2.30 0.28 0.05 0.00 0.00 179.01 177.10 3nj2 n VAL 171 N -3.23 1.56 0.27 -1.06 0.31 -0.73 -4.27 118.33 111.19 3nj2 n VAL 171 Ca -0.01 -0.64 0.10 0.00 -0.01 0.00 0.00 64.34 63.79 3nj2 n VAL 171 Cb 0.27 -1.37 0.73 0.00 -0.91 0.00 0.00 33.84 32.56 3nj2 n VAL 171 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nj2 h ALA 172 N 0.19 1.82 -0.07 3.52 0.00 -0.98 -1.72 119.26 122.02 3nj2 h ALA 172 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3nj2 h ALA 172 Cb 1.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3nj2 h ALA 172 CO -0.02 0.01 0.00 2.89 0.00 0.00 0.00 179.25 182.13 3nj2 n ARG 173 N -4.29 1.49 0.00 0.00 1.85 -0.70 -3.61 116.66 111.40 3nj2 n ARG 173 Ca -0.03 -0.73 0.15 0.00 -1.00 0.00 0.00 57.85 56.24 3nj2 n ARG 173 Cb 0.10 -1.42 0.84 0.00 -1.05 0.00 0.00 32.46 30.92 3nj2 n ARG 173 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90