#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 0.57 -4.82 0.99 -0.00 -1.26 -4.75 117.00 107.73 2k3j n LEU 46 Ca 0.00 0.66 -0.36 0.00 -0.00 0.00 0.00 56.01 56.31 2k3j n LEU 46 Cb 0.00 -0.60 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 2k3j n LEU 46 CO 0.00 -0.59 -0.20 -0.63 -0.00 0.00 0.00 177.39 175.97 2k3j s ILE 47 N -3.31 5.21 0.44 1.47 -1.09 -1.26 -0.80 121.20 121.85 2k3j s ILE 47 Ca 0.03 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 2k3j s ILE 47 Cb 0.09 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.64 2k3j s ILE 47 CO 0.34 0.60 0.81 -0.76 -1.23 0.00 0.00 174.94 174.70 2k3j s LEU 48 N -0.85 3.74 0.14 2.97 1.43 -0.07 -4.83 118.68 121.21 2k3j s LEU 48 Ca 0.14 1.17 0.16 0.00 -1.03 0.00 0.00 54.13 54.57 2k3j s LEU 48 Cb -0.12 -4.08 0.73 0.00 0.03 0.00 0.00 46.19 42.75 2k3j s LEU 48 CO 0.03 -0.47 1.51 -0.81 0.23 0.00 0.00 176.35 176.83 2k3j n PRO 49 N -1.55 0.09 0.00 1.29 -0.04 -1.26 -1.63 135.00 131.90 2k3j n PRO 49 Ca 0.03 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 2k3j n PRO 49 Cb 0.54 -1.69 0.46 0.00 -0.04 0.00 0.00 33.50 32.77 2k3j n PRO 49 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2k3j n ASN 50 N -1.86 0.70 0.00 3.54 6.94 -1.26 -4.97 115.26 118.34 2k3j n ASN 50 Ca 0.02 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.95 2k3j n ASN 50 Cb 0.15 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 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 1.34 0.56 3.92 4.83 0.00 -0.65 -5.09 105.19 110.10 2k3j n GLY 51 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2k3j n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3j s ASN 52 N -2.63 4.44 0.03 1.61 2.47 -1.26 -4.85 114.94 114.76 2k3j s ASN 52 Ca 0.00 0.57 -0.18 0.00 0.42 0.00 0.00 52.86 53.68 2k3j s ASN 52 Cb 0.00 -1.06 -0.06 0.00 -1.45 0.00 0.00 41.25 38.68 2k3j s ASN 52 CO 0.00 -1.90 0.50 -0.63 -3.72 0.00 0.00 177.10 171.36 2k3j s ILE 53 N -3.49 4.87 -1.18 -5.21 1.01 -1.26 -0.89 121.20 115.05 2k3j s ILE 53 Ca 0.63 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 2k3j s ILE 53 Cb -0.10 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2k3j s ILE 53 CO 0.48 0.55 1.81 0.21 0.00 0.00 0.00 174.94 177.99 2k3j s ASN 54 N -1.00 5.88 1.18 3.58 3.04 0.02 -4.82 114.94 122.82 2k3j s ASN 54 Ca 0.27 -1.83 -0.14 0.00 0.04 0.00 0.00 52.86 51.20 2k3j s ASN 54 Cb -0.18 -2.58 0.29 0.00 -1.54 0.00 0.00 41.25 37.23 2k3j s ASN 54 CO 0.16 -2.16 1.03 0.26 -3.04 0.00 0.00 177.10 173.35 2k3j s TRP 55 N 7.72 1.21 0.00 0.43 0.23 -1.26 -3.92 118.94 123.35 2k3j s TRP 55 Ca 0.61 1.02 0.00 0.00 -2.03 0.00 0.00 56.10 55.70 2k3j s TRP 55 Cb 0.00 -3.11 0.00 0.00 0.03 0.00 0.00 33.47 30.39 2k3j s TRP 55 CO 0.07 -3.90 0.00 -1.71 0.96 0.00 0.00 176.95 172.37 2k3j n ASN 56 N -4.91 0.00 -4.75 2.95 4.05 -1.26 -4.79 115.26 106.54 2k3j n ASN 56 Ca 0.04 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.76 2k3j n ASN 56 Cb 0.56 -1.95 0.10 0.00 1.23 0.00 0.00 39.78 39.71 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k3j n PRO 58 N -3.45 2.47 0.00 0.00 -0.04 -1.26 -2.10 135.00 130.63 2k3j n PRO 58 Ca 0.10 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 2k3j n PRO 58 Cb 0.52 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.00 0.14 -1.87 0.00 5.85 -1.92 -0.19 115.31 117.31 2k3j h LEU 60 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k3j h LEU 60 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2k3j h LEU 60 CO 0.00 0.02 0.07 1.23 -0.34 0.00 0.00 178.44 179.41 2k3j h GLY 61 N 0.12 0.16 1.38 3.75 0.00 -1.65 -1.43 103.07 105.40 2k3j h GLY 61 Ca 0.59 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.63 2k3j h GLY 61 CO -0.11 0.06 -0.86 -1.33 0.00 0.00 0.00 176.54 174.30 2k3j h GLY 62 N 0.18 0.65 2.00 4.60 0.00 -1.16 -2.92 103.07 106.42 2k3j h GLY 62 Ca 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 2k3j h GLY 62 CO -0.01 0.89 -0.16 -0.33 0.00 0.00 0.00 176.54 176.93 2k3j h MET 63 N 0.37 0.00 -0.13 4.80 2.07 -1.45 -1.25 114.93 119.35 2k3j h MET 63 Ca -0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2k3j h MET 63 Cb 1.48 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.21 2k3j h MET 63 CO 0.16 0.16 0.00 0.00 1.07 0.00 0.00 176.91 178.30 2k3j n ALA 64 N -2.49 2.54 -2.98 6.32 0.00 -0.59 -4.66 120.51 118.65 2k3j n ALA 64 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2k3j n ALA 64 Cb 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2k3j n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k3j n SER 65 N 0.03 1.21 -0.35 0.00 7.64 -0.47 -4.48 113.62 117.20 2k3j n SER 65 Ca 0.15 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2k3j n SER 65 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2k3j n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k3j n GLY 66 N 5.00 -0.98 0.21 0.23 0.00 -1.26 -2.16 105.19 106.23 2k3j n GLY 66 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 0.69 0.00 1.61 0.13 -1.98 -3.21 132.00 129.23 2k3j h PRO 67 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k3j h PRO 67 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2k3j h PRO 67 CO 0.00 0.87 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 2k3j h GLY 69 N 4.51 0.05 1.70 0.00 0.00 -1.44 -0.24 103.07 107.66 2k3j h GLY 69 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2k3j h GLY 69 CO 0.00 0.01 -0.32 1.05 0.00 0.00 0.00 176.54 177.28 2k3j h GLU 70 N 0.03 0.34 -0.03 4.80 4.11 -1.78 0.13 114.58 122.18 2k3j h GLU 70 Ca 0.21 -0.14 -0.24 0.00 0.07 0.00 0.00 59.36 59.26 2k3j h GLU 70 Cb 0.78 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2k3j h GLU 70 CO -0.01 0.63 -0.93 1.96 0.07 0.00 0.00 179.01 180.73 2k3j h GLN 71 N 0.30 0.58 -0.50 1.06 1.08 -1.37 -0.82 115.11 115.44 2k3j h GLN 71 Ca 0.04 -0.58 -0.05 0.00 -1.45 0.00 0.00 58.65 56.61 2k3j h GLN 71 Cb 0.71 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 2k3j h GLN 71 CO 0.05 1.20 0.12 0.35 -0.95 0.00 0.00 178.83 179.61 2k3j h PHE 72 N 0.35 0.83 -0.40 2.96 3.04 -1.43 0.08 116.94 122.36 2k3j h PHE 72 Ca -0.09 -0.10 0.03 0.00 3.98 0.00 0.00 57.97 61.80 2k3j h PHE 72 Cb 1.57 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.81 2k3j h PHE 72 CO 0.08 0.74 0.19 0.87 -2.02 0.00 0.00 178.31 178.17 2k3j h LYS 73 N 0.68 0.37 0.22 1.11 1.57 -0.89 -0.56 116.57 119.07 2k3j h LYS 73 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2k3j h LYS 73 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2k3j h LYS 73 CO 0.00 0.25 -0.11 1.03 -0.57 0.00 0.00 179.45 180.05 2k3j h SER 74 N 0.38 -0.26 -0.27 0.86 0.87 -1.00 -0.80 113.55 113.33 2k3j h SER 74 Ca 0.17 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2k3j h SER 74 Cb 0.10 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 2k3j h SER 74 CO -0.13 0.00 -0.22 0.00 -0.53 0.00 0.00 176.83 175.96 2k3j h ALA 75 N 0.20 -0.06 0.07 6.23 0.00 -0.93 -1.01 119.26 123.76 2k3j h ALA 75 Ca -0.03 0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 2k3j h ALA 75 Cb 0.39 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k3j h ALA 75 CO 0.05 -0.63 -1.11 0.35 0.00 0.00 0.00 179.25 177.92 2k3j h PHE 76 N -0.21 0.36 -0.34 0.00 3.57 -1.10 -1.58 116.94 117.64 2k3j h PHE 76 Ca 0.15 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2k3j h PHE 76 Cb 0.43 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2k3j h PHE 76 CO -0.39 1.16 -0.03 0.66 -2.23 0.00 0.00 178.31 177.48 2k3j h SER 77 N 0.07 0.62 -0.41 0.41 4.64 -1.08 -1.60 113.55 116.20 2k3j h SER 77 Ca -0.09 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2k3j h SER 77 Cb 1.82 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.72 2k3j h SER 77 CO 0.17 0.80 0.26 0.00 -0.87 0.00 0.00 176.83 177.19 2k3j h PHE 79 N 0.52 1.11 -0.26 0.00 3.57 -1.27 0.08 116.94 120.68 2k3j h PHE 79 Ca 0.16 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2k3j h PHE 79 Cb -0.02 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 2k3j h PHE 79 CO -0.06 0.73 -0.32 1.25 -2.23 0.00 0.00 178.31 177.68 2k3j h HIS 80 N 1.17 0.83 0.00 0.41 2.76 -0.80 -3.19 115.15 116.33 2k3j h HIS 80 Ca 0.31 -0.26 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 2k3j h HIS 80 Cb -0.07 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 2k3j h HIS 80 CO 0.00 1.01 -0.43 1.88 -1.30 0.00 0.00 177.93 179.10 2k3j h TYR 81 N 0.41 0.00 0.00 5.26 -1.99 -0.88 -3.17 116.97 116.60 2k3j h TYR 81 Ca 0.03 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2k3j h TYR 81 Cb 0.90 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 2k3j h TYR 81 CO 0.08 0.43 -0.35 1.03 -0.00 0.00 0.00 178.16 179.34 2k3j h SER 82 N 0.00 0.00 -0.71 3.88 0.87 -1.01 -3.47 113.55 113.11 2k3j h SER 82 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2k3j h SER 82 Cb 1.06 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2k3j h SER 82 CO 0.06 0.35 -0.01 0.35 -0.53 0.00 0.00 176.83 177.04 2k3j n THR 83 N -4.06 0.00 0.00 2.23 -2.24 -1.20 -4.88 114.28 104.13 2k3j n THR 83 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2k3j n THR 83 Cb 0.39 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.36 0.00 0.00 -0.78 -0.58 -1.26 -5.02 120.64 112.64 2k3j n GLU 84 Ca -0.00 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2k3j n GLU 84 Cb 0.04 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2k3j n GLU 84 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2k3j n GLU 85 N -1.77 0.00 -3.50 3.49 2.13 -1.26 -5.17 120.64 114.56 2k3j n GLU 85 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 2k3j n GLU 85 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2k3j n GLU 85 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2k3j s ILE 86 N -1.06 5.01 -0.91 6.31 2.07 -1.26 -4.93 121.20 126.43 2k3j s ILE 86 Ca 0.00 0.60 -0.21 0.00 -1.41 0.00 0.00 60.65 59.63 2k3j s ILE 86 Cb 0.00 -3.68 -0.24 0.00 0.13 0.00 0.00 42.46 38.67 2k3j s ILE 86 CO 0.00 0.29 2.41 0.29 -1.91 0.00 0.00 174.94 176.02 2k3j n LYS 87 N 0.92 0.21 -0.48 3.50 5.02 -1.26 -1.55 118.16 124.52 2k3j n LYS 87 Ca -0.07 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2k3j n LYS 87 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 6.10 0.76 0.38 0.72 0.00 -1.26 -4.99 105.19 106.89 2k3j n GLY 88 Ca 0.60 -0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.14 1.61 4.64 -1.68 0.52 113.55 118.50 2k3j h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3j h SER 89 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k3j h SER 89 CO 0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 2k3j n ASP 90 N -3.95 2.67 -0.36 4.97 2.03 -1.26 -4.63 116.55 116.02 2k3j n ASP 90 Ca 0.07 -1.79 0.01 0.00 0.52 0.00 0.00 54.79 53.61 2k3j n ASP 90 Cb 0.56 -0.08 0.02 0.00 -0.72 0.00 0.00 41.12 40.90 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 5.34 0.84 -0.92 0.00 2.07 -1.40 -1.33 116.25 120.86 2k3j h VAL 92 Ca 0.00 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2k3j h VAL 92 Cb 1.27 0.60 -0.12 0.00 -1.52 0.00 0.00 31.29 31.51 2k3j h VAL 92 CO 0.00 0.04 -0.49 -0.67 0.02 0.00 0.00 177.57 176.47 2k3j n ASP 93 N -4.45 -0.87 -0.15 0.57 2.03 -1.26 -0.78 116.55 111.64 2k3j n ASP 93 Ca 0.09 1.63 -0.07 0.00 0.52 0.00 0.00 54.79 56.97 2k3j n ASP 93 Cb 0.44 -0.26 0.09 0.00 -0.72 0.00 0.00 41.12 40.68 2k3j n ASP 93 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2k3j h GLN 94 N 0.00 0.91 -0.21 -0.67 7.50 -1.62 -0.60 115.11 120.43 2k3j h GLN 94 Ca 0.20 -0.28 -0.07 0.00 0.50 0.00 0.00 58.65 58.99 2k3j h GLN 94 Cb 0.43 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 2k3j h GLN 94 CO -0.88 0.92 -0.19 0.74 -1.50 0.00 0.00 178.83 177.92 2k3j h PHE 95 N 0.83 0.39 0.03 2.96 -1.00 -1.42 -0.57 116.94 118.18 2k3j h PHE 95 Ca 0.15 -0.07 -0.24 0.00 2.81 0.00 0.00 57.97 60.62 2k3j h PHE 95 Cb 0.54 -0.10 0.01 0.00 3.61 0.00 0.00 35.95 40.00 2k3j h PHE 95 CO 0.03 0.54 -1.02 -0.09 -1.61 0.00 0.00 178.31 176.16 2k3j h ARG 96 N 0.33 0.41 -0.55 1.51 2.43 -0.50 -0.31 114.38 117.71 2k3j h ARG 96 Ca 0.06 -0.49 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 2k3j h ARG 96 Cb 0.54 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2k3j h ARG 96 CO 0.04 1.16 0.16 0.00 -1.51 0.00 0.00 179.97 179.81 2k3j h ALA 97 N 0.66 1.25 -0.07 2.80 0.00 -0.99 0.14 119.26 123.06 2k3j h ALA 97 Ca -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k3j h ALA 97 Cb 1.68 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2k3j h ALA 97 CO 0.18 0.53 -0.00 1.98 0.00 0.00 0.00 179.25 181.93 2k3j h MET 98 N 0.80 0.13 -0.03 0.00 1.85 -1.07 -2.97 114.93 113.64 2k3j h MET 98 Ca 0.18 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.24 2k3j h MET 98 Cb 0.26 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2k3j h MET 98 CO -0.01 0.42 -0.08 0.37 -0.40 0.00 0.00 176.91 177.21 2k3j h GLN 99 N -0.16 -0.11 -0.89 0.39 5.75 -0.69 -0.39 115.11 119.00 2k3j h GLN 99 Ca 0.02 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 2k3j h GLN 99 Cb 0.36 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 2k3j h GLN 99 CO 0.00 -0.08 0.58 1.05 -2.65 0.00 0.00 178.83 177.74 2k3j h GLU 100 N -0.12 1.00 0.09 1.69 4.11 -1.08 -2.36 114.58 117.91 2k3j h GLU 100 Ca 0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k3j h GLU 100 Cb 0.18 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2k3j h GLU 100 CO -0.10 0.66 -0.04 0.00 0.07 0.00 0.00 179.01 179.60 2k3j n MET 102 N -4.94 0.02 0.00 0.00 2.81 -0.20 -1.62 117.12 113.18 2k3j n MET 102 Ca -0.09 0.19 0.11 0.00 -1.81 0.00 0.00 57.70 56.10 2k3j n MET 102 Cb 0.24 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.55 0.64 0.04 0.03 -0.00 -0.91 -4.32 117.38 111.31 2k3j n GLN 103 Ca 0.04 -0.52 -0.17 0.00 -0.00 0.00 0.00 57.00 56.36 2k3j n GLN 103 Cb 0.23 -1.49 -0.14 0.00 -0.00 0.00 0.00 30.24 28.83 2k3j n GLN 103 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2k3j h LYS 104 N 1.28 0.22 -4.65 2.61 1.57 -0.97 -3.45 116.57 113.18 2k3j h LYS 104 Ca 0.00 -0.38 -0.69 0.00 -1.87 0.00 0.00 60.65 57.71 2k3j h LYS 104 Cb 0.63 0.14 -0.20 0.00 0.08 0.00 0.00 32.23 32.88 2k3j h LYS 104 CO 0.00 1.06 -0.48 0.71 -0.57 0.00 0.00 179.45 180.17 2k3j s TYR 105 N -2.61 3.23 -0.16 -1.35 2.02 -1.01 -5.00 117.35 112.47 2k3j s TYR 105 Ca -0.11 -0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 55.93 2k3j s TYR 105 Cb 0.07 -2.49 -0.23 0.00 -0.40 0.00 0.00 41.96 38.90 2k3j s TYR 105 CO 0.84 -0.46 0.52 -1.00 -1.57 0.00 0.00 175.55 173.88 2k3j h PRO 106 N 8.51 0.03 0.00 -1.71 0.13 -1.88 -3.45 132.00 133.63 2k3j h PRO 106 Ca -0.30 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2k3j h PRO 106 Cb 1.14 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2k3j h PRO 106 CO 0.66 1.02 -0.07 -3.47 -0.23 0.00 0.00 178.00 175.91 2k3j n ASP 107 N -4.47 -0.24 0.00 1.44 -0.08 -1.26 -5.00 116.55 106.93 2k3j n ASP 107 Ca -0.21 -0.82 0.06 0.00 -1.51 0.00 0.00 54.79 52.32 2k3j n ASP 107 Cb 0.60 0.07 0.28 0.00 2.34 0.00 0.00 41.12 44.42 2k3j n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3j n LEU 108 N 0.00 0.00 -0.48 -2.67 -0.00 -1.26 -5.28 117.00 107.31 2k3j n LEU 108 Ca -0.07 0.38 0.14 0.00 -0.00 0.00 0.00 56.01 56.47 2k3j n LEU 108 Cb 0.38 -0.38 0.53 0.00 -0.00 0.00 0.00 43.42 43.94 2k3j n LEU 108 CO -0.03 -0.23 0.87 0.00 -0.00 0.00 0.00 177.39 178.00