#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3j n LEU 46 N 0.00 0.78 -3.67 0.99 -0.00 -1.26 -4.70 117.00 109.14 2k3j n LEU 46 Ca 0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 56.01 55.47 2k3j n LEU 46 Cb 0.00 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.09 2k3j n LEU 46 CO 0.00 0.16 0.22 -0.63 -0.00 0.00 0.00 177.39 177.14 2k3j s ILE 47 N -0.60 0.02 0.18 1.47 -1.09 -1.23 -4.50 121.20 115.46 2k3j s ILE 47 Ca 0.00 -0.14 0.11 0.00 -2.23 0.00 0.00 60.65 58.39 2k3j s ILE 47 Cb 0.00 -0.77 -0.04 0.00 -1.58 0.00 0.00 42.46 40.07 2k3j s ILE 47 CO 0.00 -0.08 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.66 2k3j s LEU 48 N -0.62 2.53 0.33 2.97 1.43 0.11 -4.98 118.68 120.45 2k3j s LEU 48 Ca -0.07 -0.80 0.26 0.00 -1.03 0.00 0.00 54.13 52.49 2k3j s LEU 48 Cb -0.03 -1.27 1.13 0.00 0.03 0.00 0.00 46.19 46.05 2k3j s LEU 48 CO 0.04 0.12 1.78 1.55 0.23 0.00 0.00 176.35 180.08 2k3j h PRO 49 N 3.21 0.00 -0.09 1.29 0.13 -2.02 -1.66 132.00 132.86 2k3j h PRO 49 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k3j h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k3j h PRO 49 CO 0.48 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 2k3j n ASN 50 N -2.42 0.59 0.00 1.44 6.94 -1.26 -4.92 115.26 115.63 2k3j n ASN 50 Ca 0.01 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 2k3j n ASN 50 Cb 0.21 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 2k3j n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3j n GLY 51 N 0.77 0.82 3.77 4.83 0.00 -0.62 -5.05 105.19 109.70 2k3j n GLY 51 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2k3j n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3j s ASN 52 N -2.89 7.42 0.11 1.61 -0.87 -1.25 -4.89 114.94 114.18 2k3j s ASN 52 Ca 0.00 1.75 0.07 0.00 -1.57 0.00 0.00 52.86 53.11 2k3j s ASN 52 Cb 0.00 -2.54 -0.21 0.00 -0.02 0.00 0.00 41.25 38.48 2k3j s ASN 52 CO 0.00 0.12 1.24 0.40 -2.57 0.00 0.00 177.10 176.29 2k3j h ILE 53 N 3.05 1.67 -3.56 0.60 2.04 -1.90 0.34 117.51 119.75 2k3j h ILE 53 Ca -0.46 -3.38 0.00 0.00 1.00 0.00 0.00 64.86 62.01 2k3j h ILE 53 Cb 1.20 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 40.09 2k3j h ILE 53 CO 0.66 0.95 -0.35 -3.20 0.00 0.00 0.00 178.15 176.21 2k3j n ASN 54 N -3.34 -2.60 -1.51 1.72 5.15 -1.26 -3.48 115.26 109.94 2k3j n ASN 54 Ca -0.01 0.38 -0.06 0.00 -0.60 0.00 0.00 54.58 54.29 2k3j n ASN 54 Cb 0.95 -2.17 0.02 0.00 -0.53 0.00 0.00 39.78 38.05 2k3j n ASN 54 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2k3j n TRP 55 N 0.32 0.57 0.00 1.20 5.03 -1.26 -3.86 117.44 119.44 2k3j n TRP 55 Ca -0.06 -1.16 0.00 0.00 3.03 0.00 0.00 57.50 59.31 2k3j n TRP 55 Cb 0.09 -0.57 0.00 0.00 -1.03 0.00 0.00 31.31 29.80 2k3j n TRP 55 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 2k3j n ASN 56 N 0.78 3.97 -4.75 -0.99 2.85 -1.26 -4.32 115.26 111.55 2k3j n ASN 56 Ca 0.11 -0.04 -0.38 0.00 -0.11 0.00 0.00 54.58 54.17 2k3j n ASN 56 Cb 0.59 0.87 0.04 0.00 1.24 0.00 0.00 39.78 42.51 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k3j n PRO 58 N -1.13 0.15 -0.02 0.00 -0.04 -1.26 -0.75 135.00 131.94 2k3j n PRO 58 Ca 0.11 0.56 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 2k3j n PRO 58 Cb 0.46 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 2k3j n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3j h LEU 60 N -0.21 0.12 0.05 0.00 5.85 -1.92 -1.17 115.31 118.03 2k3j h LEU 60 Ca 0.00 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 2k3j h LEU 60 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2k3j h LEU 60 CO 0.00 0.04 -1.32 1.23 -0.34 0.00 0.00 178.44 178.06 2k3j h GLY 61 N 0.12 0.12 0.65 3.75 0.00 -1.13 -2.99 103.07 103.59 2k3j h GLY 61 Ca 0.43 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2k3j h GLY 61 CO -0.06 0.27 -0.32 -1.33 0.00 0.00 0.00 176.54 175.10 2k3j h GLY 62 N 2.55 0.34 2.00 4.60 0.00 -1.47 -3.26 103.07 107.83 2k3j h GLY 62 Ca -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 2k3j h GLY 62 CO 0.14 0.44 -0.07 1.98 0.00 0.00 0.00 176.54 179.02 2k3j h MET 63 N -0.22 0.00 -0.00 4.80 -1.53 -1.39 -0.81 114.93 115.77 2k3j h MET 63 Ca -0.02 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 2k3j h MET 63 Cb 0.98 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.03 2k3j h MET 63 CO 0.06 0.07 0.00 0.00 0.14 0.00 0.00 176.91 177.19 2k3j n ALA 64 N -2.35 2.67 -2.67 0.39 0.00 -1.13 -4.58 120.51 112.83 2k3j n ALA 64 Ca -0.02 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2k3j n ALA 64 Cb 0.17 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 2k3j n ALA 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k3j s SER 65 N -1.94 3.90 0.01 0.00 0.01 -0.31 -4.27 113.70 111.09 2k3j s SER 65 Ca 0.44 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2k3j s SER 65 Cb 0.21 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2k3j s SER 65 CO 0.34 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2k3j n GLY 66 N -1.09 -2.11 0.25 3.44 0.00 -1.26 -3.21 105.19 101.21 2k3j n GLY 66 Ca -0.11 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 44.62 2k3j n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3j h PRO 67 N 0.00 0.00 -0.01 1.61 0.13 -1.98 -2.31 132.00 129.44 2k3j h PRO 67 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k3j h PRO 67 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3j h PRO 67 CO 0.00 0.05 -0.60 0.00 -0.23 0.00 0.00 178.00 177.22 2k3j h GLY 69 N 4.92 0.00 2.00 0.00 0.00 -1.38 -1.79 103.07 106.83 2k3j h GLY 69 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2k3j h GLY 69 CO 0.00 0.00 -0.53 1.05 0.00 0.00 0.00 176.54 177.06 2k3j h GLU 70 N 0.00 0.00 -0.40 4.80 4.11 -1.78 -1.41 114.58 119.91 2k3j h GLU 70 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2k3j h GLU 70 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k3j h GLU 70 CO 0.00 0.53 -0.32 1.96 0.07 0.00 0.00 179.01 181.25 2k3j h GLN 71 N 0.00 0.92 -0.32 1.06 1.08 -1.67 -0.44 115.11 115.74 2k3j h GLN 71 Ca -0.01 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2k3j h GLN 71 Cb 0.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 2k3j h GLN 71 CO 0.07 1.12 0.17 0.35 -0.95 0.00 0.00 178.83 179.58 2k3j h PHE 72 N 0.74 0.44 0.26 2.96 3.04 -1.57 -0.73 116.94 122.08 2k3j h PHE 72 Ca 0.07 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2k3j h PHE 72 Cb 0.91 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 2k3j h PHE 72 CO 0.06 0.37 -0.36 0.87 -2.02 0.00 0.00 178.31 177.22 2k3j h LYS 73 N 0.39 -0.66 -0.25 1.11 1.57 -1.03 -2.36 116.57 115.34 2k3j h LYS 73 Ca 0.11 0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 2k3j h LYS 73 Cb 0.08 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2k3j h LYS 73 CO -0.02 -0.44 -0.38 1.03 -0.57 0.00 0.00 179.45 179.08 2k3j h SER 74 N -0.68 0.60 -0.06 0.86 0.87 -1.04 0.66 113.55 114.76 2k3j h SER 74 Ca -0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2k3j h SER 74 Cb 0.65 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2k3j h SER 74 CO -0.13 0.92 0.04 0.00 -0.53 0.00 0.00 176.83 177.13 2k3j h ALA 75 N 1.11 0.07 -0.23 6.23 0.00 -1.15 -1.20 119.26 124.10 2k3j h ALA 75 Ca 0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2k3j h ALA 75 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k3j h ALA 75 CO 0.07 -0.43 -0.27 0.74 0.00 0.00 0.00 179.25 179.36 2k3j h PHE 76 N 0.08 0.72 0.21 0.00 -1.00 -1.31 -2.90 116.94 112.74 2k3j h PHE 76 Ca 0.02 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 2k3j h PHE 76 Cb -0.01 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 2k3j h PHE 76 CO -0.08 0.94 -0.32 1.03 -1.61 0.00 0.00 178.31 178.28 2k3j h SER 77 N 0.30 -0.92 -0.66 2.17 0.87 -0.83 -0.52 113.55 113.95 2k3j h SER 77 Ca 0.03 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.78 2k3j h SER 77 Cb 0.84 0.32 -0.08 0.00 -0.44 0.00 0.00 62.40 63.04 2k3j h SER 77 CO 0.07 -0.39 0.25 0.00 -0.53 0.00 0.00 176.83 176.23 2k3j h PHE 79 N 0.42 0.80 -0.12 0.00 3.57 -1.45 -1.64 116.94 118.53 2k3j h PHE 79 Ca 0.34 -0.14 -0.23 0.00 3.53 0.00 0.00 57.97 61.47 2k3j h PHE 79 Cb 0.45 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.99 2k3j h PHE 79 CO -0.17 0.80 -0.82 1.25 -2.23 0.00 0.00 178.31 177.15 2k3j h HIS 80 N 0.67 1.02 0.00 0.41 2.76 0.08 -2.68 115.15 117.41 2k3j h HIS 80 Ca 0.12 -0.47 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2k3j h HIS 80 Cb 0.56 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2k3j h HIS 80 CO 0.03 1.30 0.00 0.66 -1.30 0.00 0.00 177.93 178.61 2k3j n TYR 81 N -3.91 0.00 0.00 5.26 4.02 0.19 -3.50 117.16 119.21 2k3j n TYR 81 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2k3j n TYR 81 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 2k3j n TYR 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2k3j n SER 82 N -0.66 0.00 -1.70 7.72 2.88 -0.63 -5.03 113.62 116.20 2k3j n SER 82 Ca 0.06 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.53 2k3j n SER 82 Cb 0.03 -0.29 0.03 0.00 -0.75 0.00 0.00 64.21 63.22 2k3j n SER 82 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k3j n THR 83 N -2.09 -1.61 0.00 2.46 -2.24 -1.02 -5.09 114.28 104.69 2k3j n THR 83 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2k3j n THR 83 Cb 0.00 -2.94 0.00 0.00 -2.10 0.00 0.00 70.33 65.29 2k3j n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k3j n GLU 84 N -2.02 0.00 0.00 -0.78 4.71 -1.26 -5.13 120.64 116.15 2k3j n GLU 84 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2k3j n GLU 84 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 2k3j n GLU 84 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2k3j n GLU 85 N 0.00 0.00 -2.79 3.49 1.02 -1.26 -5.11 120.64 115.99 2k3j n GLU 85 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2k3j n GLU 85 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2k3j n GLU 85 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3j s ILE 86 N -0.19 4.23 -0.62 -3.67 1.09 -1.26 -4.94 121.20 115.85 2k3j s ILE 86 Ca 0.00 2.02 -0.27 0.00 -1.10 0.00 0.00 60.65 61.29 2k3j s ILE 86 Cb 0.00 -4.29 -0.11 0.00 -1.06 0.00 0.00 42.46 37.00 2k3j s ILE 86 CO 0.00 0.46 2.49 0.29 -0.10 0.00 0.00 174.94 178.07 2k3j n LYS 87 N 1.84 0.78 0.00 2.79 5.02 -1.26 -0.33 118.16 127.00 2k3j n LYS 87 Ca -0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2k3j n LYS 87 Cb 0.48 -2.98 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 2k3j n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3j n GLY 88 N 6.13 0.90 0.32 0.72 0.00 -1.26 -4.95 105.19 107.05 2k3j n GLY 88 Ca 0.44 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.67 2k3j n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3j h SER 89 N 0.00 0.00 0.00 1.61 4.64 -1.06 0.85 113.55 119.59 2k3j h SER 89 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2k3j h SER 89 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2k3j h SER 89 CO 0.00 0.01 -0.38 -0.67 -0.87 0.00 0.00 176.83 174.92 2k3j n ASP 90 N -3.15 1.43 0.00 4.97 2.03 -1.26 -4.84 116.55 115.73 2k3j n ASP 90 Ca -0.02 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.44 2k3j n ASP 90 Cb 0.13 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3j h VAL 92 N 2.07 0.14 -0.13 0.00 3.04 -1.23 -3.09 116.25 117.05 2k3j h VAL 92 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k3j h VAL 92 Cb 0.77 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2k3j h VAL 92 CO 0.00 0.00 0.07 -0.78 -1.01 0.00 0.00 177.57 175.85 2k3j h ASP 93 N 0.00 0.16 -0.46 3.17 1.82 -1.96 -1.70 116.42 117.45 2k3j h ASP 93 Ca 0.10 -0.07 0.06 0.00 -0.39 0.00 0.00 57.03 56.74 2k3j h ASP 93 Cb 1.03 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 2k3j h ASP 93 CO -0.00 0.18 0.31 1.56 -1.61 0.00 0.00 179.24 179.67 2k3j h GLN 94 N 0.12 0.35 -0.05 0.28 7.50 -1.91 0.17 115.11 121.58 2k3j h GLN 94 Ca 0.05 -0.02 -0.18 0.00 0.50 0.00 0.00 58.65 58.99 2k3j h GLN 94 Cb 0.05 -0.08 0.01 0.00 0.05 0.00 0.00 27.48 27.52 2k3j h GLN 94 CO -0.01 0.23 -0.69 0.74 -1.50 0.00 0.00 178.83 177.60 2k3j h PHE 95 N 0.36 0.78 -0.44 2.96 -1.00 -1.60 0.70 116.94 118.69 2k3j h PHE 95 Ca 0.20 -0.39 0.02 0.00 2.81 0.00 0.00 57.97 60.61 2k3j h PHE 95 Cb 0.35 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 2k3j h PHE 95 CO -0.00 1.21 0.26 -0.09 -1.61 0.00 0.00 178.31 178.08 2k3j h ARG 96 N 0.14 0.51 -0.66 1.51 2.43 -0.94 -2.25 114.38 115.12 2k3j h ARG 96 Ca -0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k3j h ARG 96 Cb 1.36 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2k3j h ARG 96 CO 0.14 0.34 0.43 0.00 -1.51 0.00 0.00 179.97 179.37 2k3j h ALA 97 N 1.20 0.84 -0.87 2.80 0.00 -0.92 0.03 119.26 122.33 2k3j h ALA 97 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2k3j h ALA 97 Cb 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 2k3j h ALA 97 CO -0.08 0.28 0.53 1.98 0.00 0.00 0.00 179.25 181.95 2k3j h MET 98 N 0.90 0.88 0.16 0.00 1.85 -0.55 -1.19 114.93 116.98 2k3j h MET 98 Ca 0.24 -0.05 -0.30 0.00 -0.61 0.00 0.00 59.70 58.98 2k3j h MET 98 Cb -0.09 -0.20 0.01 0.00 0.43 0.00 0.00 31.60 31.76 2k3j h MET 98 CO -0.05 0.58 -1.34 1.96 -0.40 0.00 0.00 176.91 177.66 2k3j h GLN 99 N 0.91 0.34 -0.09 0.39 4.20 -1.09 -2.58 115.11 117.19 2k3j h GLN 99 Ca 0.41 -0.59 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2k3j h GLN 99 Cb 0.30 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2k3j h GLN 99 CO -0.22 1.27 -0.20 1.05 -0.67 0.00 0.00 178.83 180.07 2k3j h GLU 100 N 0.09 0.15 -0.06 1.46 4.11 -0.81 -2.64 114.58 116.90 2k3j h GLU 100 Ca -0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 2k3j h GLU 100 Cb 2.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 2k3j h GLU 100 CO 0.22 0.35 -0.05 0.00 0.07 0.00 0.00 179.01 179.60 2k3j n MET 102 N -4.75 0.04 0.01 0.00 2.81 -0.97 -0.84 117.12 113.42 2k3j n MET 102 Ca -0.07 0.21 0.11 0.00 -1.81 0.00 0.00 57.70 56.14 2k3j n MET 102 Cb 0.29 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 2k3j n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k3j n GLN 103 N -1.46 0.12 -0.07 0.03 10.64 -1.05 -4.47 117.38 121.13 2k3j n GLN 103 Ca 0.04 -0.01 -0.06 0.00 -1.83 0.00 0.00 57.00 55.15 2k3j n GLN 103 Cb 0.17 -1.53 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 2k3j n GLN 103 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2k3j n LYS 104 N -1.68 1.52 -3.84 2.61 5.02 -0.53 -4.84 118.16 116.42 2k3j n LYS 104 Ca 0.03 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 2k3j n LYS 104 Cb 0.38 -1.37 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 2k3j n LYS 104 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2k3j s TYR 105 N -2.42 3.30 0.00 2.13 2.02 -0.02 -5.04 117.35 117.33 2k3j s TYR 105 Ca -0.07 -2.96 0.00 0.00 -0.37 0.00 0.00 57.07 53.67 2k3j s TYR 105 Cb 0.05 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.61 2k3j s TYR 105 CO 0.60 -0.79 0.16 -0.35 -1.57 0.00 0.00 175.55 173.60 2k3j n PRO 106 N 3.29 0.00 0.00 -1.71 -0.04 -1.26 -4.60 135.00 130.68 2k3j n PRO 106 Ca 0.06 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2k3j n PRO 106 Cb 0.35 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2k3j n PRO 106 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k3j n ASP 107 N -0.94 0.77 0.00 3.54 2.03 -1.26 -4.85 116.55 115.85 2k3j n ASP 107 Ca 0.00 -1.07 0.07 0.00 0.52 0.00 0.00 54.79 54.31 2k3j n ASP 107 Cb 0.00 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 40.82 2k3j n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3j n LEU 108 N -0.04 0.00 0.00 -2.67 -0.00 -1.26 -5.21 117.00 107.82 2k3j n LEU 108 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 56.01 56.06 2k3j n LEU 108 Cb 0.10 -0.03 0.14 0.00 -0.00 0.00 0.00 43.42 43.63 2k3j n LEU 108 CO 0.00 -0.02 0.38 -1.22 -0.00 0.00 0.00 177.39 176.53