#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 1.49 -4.51 0.99 -0.00 -1.26 -4.87 117.00 108.84 2k3j n LEU 46 Ca 0.00 -0.60 -0.33 0.00 -0.00 0.00 0.00 56.01 55.07 2k3j n LEU 46 Cb 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 43.42 43.22 2k3j n LEU 46 CO 0.00 0.30 -0.41 -0.63 -0.00 0.00 0.00 177.39 176.65 2k3j s ILE 47 N -1.84 3.45 0.82 1.47 -1.09 -1.26 -2.35 121.20 120.40 2k3j s ILE 47 Ca 0.33 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2k3j s ILE 47 Cb 0.18 -2.42 0.09 0.00 -1.58 0.00 0.00 42.46 38.73 2k3j s ILE 47 CO 0.27 0.57 1.10 -0.76 -1.23 0.00 0.00 174.94 174.89 2k3j s LEU 48 N -0.44 2.81 0.53 2.97 1.43 0.09 -4.91 118.68 121.16 2k3j s LEU 48 Ca 0.06 1.81 0.30 0.00 -1.03 0.00 0.00 54.13 55.26 2k3j s LEU 48 Cb -0.12 -4.39 1.46 0.00 0.03 0.00 0.00 46.19 43.17 2k3j s LEU 48 CO 0.02 -2.35 2.06 1.55 0.23 0.00 0.00 176.35 177.85 2k3j h PRO 49 N -1.35 0.00 -0.93 1.29 0.13 -2.01 -1.59 132.00 127.54 2k3j h PRO 49 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2k3j h PRO 49 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2k3j h PRO 49 CO 0.50 0.11 0.06 0.27 -0.23 0.00 0.00 178.00 178.71 2k3j n ASN 50 N -3.47 2.52 0.00 1.44 6.94 -1.26 -4.92 115.26 116.51 2k3j n ASN 50 Ca -0.01 -2.29 0.00 0.00 -0.02 0.00 0.00 54.58 52.26 2k3j n ASN 50 Cb 0.26 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 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 0.13 2.09 3.81 4.83 0.00 -0.60 -4.97 105.19 110.49 2k3j n GLY 51 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.12 4.56 0.15 1.61 2.47 -1.26 -4.61 114.94 117.74 2k3j s ASN 52 Ca 0.00 1.30 -0.24 0.00 0.42 0.00 0.00 52.86 54.34 2k3j s ASN 52 Cb 0.00 -2.04 -0.08 0.00 -1.45 0.00 0.00 41.25 37.68 2k3j s ASN 52 CO 0.00 -1.93 0.75 -0.63 -3.72 0.00 0.00 177.10 171.57 2k3j s ILE 53 N -3.16 4.42 -1.30 -5.21 1.01 -1.26 -0.74 121.20 114.96 2k3j s ILE 53 Ca 0.61 1.64 -0.16 0.00 0.00 0.00 0.00 60.65 62.73 2k3j s ILE 53 Cb -0.14 -4.11 0.10 0.00 0.01 0.00 0.00 42.46 38.32 2k3j s ILE 53 CO 0.54 0.53 1.75 -3.20 0.00 0.00 0.00 174.94 174.56 2k3j n ASN 54 N 1.63 4.86 -0.66 3.58 5.15 -0.99 -4.86 115.26 123.97 2k3j n ASN 54 Ca -0.06 -2.94 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 2k3j n ASN 54 Cb 0.49 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.07 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 7.06 0.00 -0.04 1.20 5.03 -1.26 -2.12 117.44 127.31 2k3j n TRP 55 Ca 0.46 -0.04 0.00 0.00 3.03 0.00 0.00 57.50 60.95 2k3j n TRP 55 Cb 0.43 -0.06 0.00 0.00 -1.03 0.00 0.00 31.31 30.66 2k3j n TRP 55 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2k3j n ASN 56 N 0.55 0.90 -4.72 -0.99 5.03 -1.26 -4.44 115.26 110.34 2k3j n ASN 56 Ca 0.00 -0.97 -0.42 0.00 0.87 0.00 0.00 54.58 54.06 2k3j n ASN 56 Cb 0.07 0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k3j s PRO 58 N 1.22 4.09 0.00 0.00 0.04 -1.26 -0.79 135.00 138.30 2k3j s PRO 58 Ca 0.72 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2k3j s PRO 58 Cb -0.46 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2k3j s PRO 58 CO 0.32 -0.97 0.00 0.00 0.04 0.00 0.00 177.00 176.39 2k3j h LEU 60 N 0.00 0.61 -0.33 0.00 5.85 -1.94 0.70 115.31 120.21 2k3j h LEU 60 Ca 0.00 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 2k3j h LEU 60 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2k3j h LEU 60 CO 0.00 0.17 -0.64 1.23 -0.34 0.00 0.00 178.44 178.85 2k3j h GLY 61 N 0.57 0.00 1.65 3.75 0.00 -1.18 -1.51 103.07 106.35 2k3j h GLY 61 Ca 0.59 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.67 2k3j h GLY 61 CO -0.35 0.00 -1.06 -1.33 0.00 0.00 0.00 176.54 173.80 2k3j h GLY 62 N 2.77 0.33 2.00 4.60 0.00 -1.14 -3.12 103.07 108.50 2k3j h GLY 62 Ca -0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 2k3j h GLY 62 CO 0.08 0.61 -0.16 -0.33 0.00 0.00 0.00 176.54 176.74 2k3j h MET 63 N 0.13 0.00 -0.01 4.80 2.07 -0.89 -1.20 114.93 119.83 2k3j h MET 63 Ca -0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 2k3j h MET 63 Cb 1.74 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.47 2k3j h MET 63 CO 0.17 0.16 0.00 0.00 1.07 0.00 0.00 176.91 178.32 2k3j n ALA 64 N -2.37 2.62 -2.68 6.32 0.00 -0.58 -4.35 120.51 119.47 2k3j n ALA 64 Ca -0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 2k3j n ALA 64 Cb 0.26 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.47 2k3j n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k3j n SER 65 N -0.73 1.22 0.00 0.00 2.88 -0.46 -4.40 113.62 112.14 2k3j n SER 65 Ca 0.16 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 2k3j n SER 65 Cb 0.09 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2k3j n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3j n GLY 66 N -0.80 -0.02 0.14 0.46 0.00 -1.26 -1.92 105.19 101.79 2k3j n GLY 66 Ca 0.13 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 0.39 0.00 1.61 0.13 -1.99 -3.34 132.00 128.80 2k3j h PRO 67 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k3j h PRO 67 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k3j h PRO 67 CO 0.00 1.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.86 2k3j h GLY 69 N 2.88 0.00 1.32 0.00 0.00 -1.51 -1.00 103.07 104.76 2k3j h GLY 69 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2k3j h GLY 69 CO 0.00 0.00 -0.05 1.05 0.00 0.00 0.00 176.54 177.54 2k3j h GLU 70 N 0.00 0.82 0.01 4.80 4.11 -1.80 -1.05 114.58 121.47 2k3j h GLU 70 Ca 0.20 -0.25 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 2k3j h GLU 70 Cb 0.83 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2k3j h GLU 70 CO -0.00 0.85 -0.75 1.96 0.07 0.00 0.00 179.01 181.14 2k3j h GLN 71 N 0.75 0.50 -0.19 1.06 1.08 -1.47 -2.62 115.11 114.22 2k3j h GLN 71 Ca 0.14 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 2k3j h GLN 71 Cb 0.52 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2k3j h GLN 71 CO 0.03 1.18 0.06 0.35 -0.95 0.00 0.00 178.83 179.51 2k3j h PHE 72 N 0.04 0.30 -0.77 2.96 3.57 -1.43 -1.43 116.94 120.18 2k3j h PHE 72 Ca -0.10 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.46 2k3j h PHE 72 Cb 1.45 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.04 2k3j h PHE 72 CO 0.13 0.38 0.43 0.87 -2.23 0.00 0.00 178.31 177.89 2k3j h LYS 73 N 0.14 0.71 -0.05 1.11 1.57 -1.25 -1.98 116.57 116.82 2k3j h LYS 73 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2k3j h LYS 73 Cb 0.21 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2k3j h LYS 73 CO -0.00 0.47 -0.01 1.03 -0.57 0.00 0.00 179.45 180.36 2k3j h SER 74 N 0.73 0.09 -0.08 0.86 0.87 -1.31 -2.09 113.55 112.63 2k3j h SER 74 Ca 0.37 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2k3j h SER 74 Cb 0.32 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 2k3j h SER 74 CO -0.24 0.44 -0.39 0.00 -0.53 0.00 0.00 176.83 176.12 2k3j h ALA 75 N 0.65 -0.56 -0.42 6.23 0.00 -1.06 0.21 119.26 124.31 2k3j h ALA 75 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3j h ALA 75 Cb 0.40 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2k3j h ALA 75 CO 0.00 -0.90 0.23 0.74 0.00 0.00 0.00 179.25 179.32 2k3j h PHE 76 N -0.50 0.58 -0.25 0.00 -1.00 -1.42 -1.79 116.94 112.56 2k3j h PHE 76 Ca 0.07 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2k3j h PHE 76 Cb 0.61 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2k3j h PHE 76 CO -0.44 0.44 -0.01 0.77 -1.61 0.00 0.00 178.31 177.47 2k3j h SER 77 N 0.54 0.43 -0.80 2.17 0.02 -1.13 -0.25 113.55 114.53 2k3j h SER 77 Ca 0.15 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2k3j h SER 77 Cb 0.06 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2k3j h SER 77 CO -0.02 0.65 0.52 0.00 -1.14 0.00 0.00 176.83 176.84 2k3j h PHE 79 N 1.04 -0.29 0.00 0.00 3.57 -1.22 -0.69 116.94 119.36 2k3j h PHE 79 Ca 0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2k3j h PHE 79 Cb -0.06 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2k3j h PHE 79 CO -0.02 -0.08 0.00 0.45 -2.23 0.00 0.00 178.31 176.43 2k3j h HIS 80 N -0.44 0.00 0.04 0.41 3.86 -0.56 -0.18 115.15 118.28 2k3j h HIS 80 Ca -0.03 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.84 2k3j h HIS 80 Cb 0.33 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 2k3j h HIS 80 CO -0.02 0.00 -1.97 0.66 0.86 0.00 0.00 177.93 177.45 2k3j n TYR 81 N -3.06 0.83 -0.08 2.45 4.01 0.01 -4.02 117.16 117.30 2k3j n TYR 81 Ca -0.01 0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 57.95 2k3j n TYR 81 Cb 0.20 -1.13 0.21 0.00 -0.31 0.00 0.00 39.34 38.31 2k3j n TYR 81 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k3j h SER 82 N 0.02 0.67 0.00 7.72 0.87 -0.99 -3.47 113.55 118.38 2k3j h SER 82 Ca -0.40 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2k3j h SER 82 Cb 2.05 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2k3j h SER 82 CO 0.06 0.72 0.00 0.35 -0.53 0.00 0.00 176.83 177.43 2k3j n THR 83 N -4.25 0.00 -0.03 2.23 -2.24 -0.09 -4.91 114.28 105.00 2k3j n THR 83 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2k3j n THR 83 Cb 0.27 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.37 -0.03 0.00 -0.78 -0.58 -1.26 -4.85 120.64 111.76 2k3j n GLU 84 Ca 0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2k3j n GLU 84 Cb 0.00 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 2k3j n GLU 84 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2k3j n GLU 85 N -2.87 0.00 -3.75 3.49 0.28 -1.26 -5.16 120.64 111.37 2k3j n GLU 85 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2k3j n GLU 85 Cb 0.02 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.83 2k3j n GLU 85 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2k3j s ILE 86 N 0.00 5.30 -0.44 3.84 1.01 -1.26 -5.00 121.20 124.65 2k3j s ILE 86 Ca 0.00 0.26 -0.35 0.00 0.00 0.00 0.00 60.65 60.57 2k3j s ILE 86 Cb 0.00 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.79 2k3j s ILE 86 CO 0.00 0.44 2.26 0.29 0.00 0.00 0.00 174.94 177.93 2k3j n LYS 87 N 1.36 0.88 -1.02 2.79 4.76 -1.26 -2.29 118.16 123.39 2k3j n LYS 87 Ca -0.13 0.21 -0.01 0.00 -2.87 0.00 0.00 58.31 55.51 2k3j n LYS 87 Cb 0.53 -2.39 -0.00 0.00 -1.84 0.00 0.00 35.03 31.33 2k3j n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3j n GLY 88 N 6.57 0.45 0.36 0.72 0.00 -1.26 -4.97 105.19 107.06 2k3j n GLY 88 Ca 0.44 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.50 0.04 1.61 4.64 -1.87 0.22 113.55 118.69 2k3j h SER 89 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3j h SER 89 Cb 0.05 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2k3j h SER 89 CO 0.02 0.29 -0.46 0.47 -0.87 0.00 0.00 176.83 176.28 2k3j n ASP 90 N -4.49 1.77 -0.24 4.97 8.00 -1.26 -4.56 116.55 120.73 2k3j n ASP 90 Ca 0.13 -1.36 0.05 0.00 0.71 0.00 0.00 54.79 54.32 2k3j n ASP 90 Cb 0.40 0.43 0.07 0.00 -0.02 0.00 0.00 41.12 42.00 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3j h VAL 92 N 3.06 0.53 -0.01 0.00 3.04 -1.28 -0.08 116.25 121.52 2k3j h VAL 92 Ca 0.00 -0.06 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 2k3j h VAL 92 Cb 1.14 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2k3j h VAL 92 CO 0.00 0.03 -0.39 0.44 -1.01 0.00 0.00 177.57 176.64 2k3j h ASP 93 N 0.16 0.03 -0.16 3.17 3.32 -1.91 -0.13 116.42 120.90 2k3j h ASP 93 Ca 0.51 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.37 2k3j h ASP 93 Cb 1.70 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 41.25 2k3j h ASP 93 CO -0.10 0.41 -0.61 1.56 -1.72 0.00 0.00 179.24 178.78 2k3j h GLN 94 N 0.02 0.69 -0.78 3.56 7.50 -1.37 0.15 115.11 124.88 2k3j h GLN 94 Ca -0.00 -0.53 -0.05 0.00 0.50 0.00 0.00 58.65 58.57 2k3j h GLN 94 Cb 0.70 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.29 2k3j h GLN 94 CO 0.05 1.15 0.31 0.74 -1.50 0.00 0.00 178.83 179.58 2k3j h PHE 95 N 0.38 1.19 -0.55 2.96 -1.00 -1.52 -0.48 116.94 117.91 2k3j h PHE 95 Ca -0.03 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.57 2k3j h PHE 95 Cb 1.24 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 2k3j h PHE 95 CO 0.10 0.90 -0.02 -0.09 -1.61 0.00 0.00 178.31 177.59 2k3j h ARG 96 N 1.14 0.99 0.29 1.51 2.43 -0.97 -1.21 114.38 118.57 2k3j h ARG 96 Ca 0.26 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2k3j h ARG 96 Cb 0.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2k3j h ARG 96 CO -0.02 1.00 -0.14 0.00 -1.51 0.00 0.00 179.97 179.30 2k3j h ALA 97 N 0.95 -0.39 0.00 2.80 0.00 -0.79 -2.36 119.26 119.47 2k3j h ALA 97 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k3j h ALA 97 Cb 0.57 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k3j h ALA 97 CO 0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 179.25 178.49 2k3j h MET 98 N -0.54 0.00 0.32 0.00 -0.00 -1.03 -0.75 114.93 112.93 2k3j h MET 98 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2k3j h MET 98 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2k3j h MET 98 CO 0.07 0.14 -0.16 0.37 -0.00 0.00 0.00 176.91 177.33 2k3j h GLN 99 N 0.00 -0.42 0.00 -0.10 -0.00 -1.17 -2.60 115.11 110.82 2k3j h GLN 99 Ca -0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.60 2k3j h GLN 99 Cb 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2k3j h GLN 99 CO 0.02 -0.10 -0.39 1.05 0.00 0.00 0.00 178.83 179.42 2k3j h GLU 100 N -0.80 0.00 -0.62 1.69 4.11 -1.14 -1.59 114.58 116.22 2k3j h GLU 100 Ca -0.04 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.41 2k3j h GLU 100 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2k3j h GLU 100 CO 0.07 0.39 0.38 0.00 0.07 0.00 0.00 179.01 179.92 2k3j h MET 102 N 0.75 0.00 0.00 0.00 2.86 -0.95 -2.18 114.93 115.41 2k3j h MET 102 Ca 0.25 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2k3j h MET 102 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2k3j h MET 102 CO -0.10 0.00 -0.79 -0.56 1.06 0.00 0.00 176.91 176.52 2k3j h GLN 103 N 0.00 0.00 0.00 1.72 3.07 -0.62 -3.32 115.11 115.96 2k3j h GLN 103 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k3j h GLN 103 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 2k3j h GLN 103 CO 0.00 0.16 -0.01 0.87 0.09 0.00 0.00 178.83 179.94 2k3j h LYS 104 N 0.00 0.00 -2.66 0.06 1.79 -0.58 -3.43 116.57 111.75 2k3j h LYS 104 Ca -0.04 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.89 2k3j h LYS 104 Cb 1.21 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.47 2k3j h LYS 104 CO 0.02 0.00 -0.80 0.71 -1.08 0.00 0.00 179.45 178.30 2k3j s TYR 105 N -3.20 0.42 -0.04 -1.35 2.02 -0.85 -5.05 117.35 109.30 2k3j s TYR 105 Ca 0.07 -1.14 -0.01 0.00 -0.37 0.00 0.00 57.07 55.63 2k3j s TYR 105 Cb 0.06 -0.87 -0.26 0.00 -0.40 0.00 0.00 41.96 40.49 2k3j s TYR 105 CO 0.66 -0.84 0.67 -1.00 -1.57 0.00 0.00 175.55 173.48 2k3j h PRO 106 N 7.83 0.20 0.00 -1.71 0.13 -1.84 -3.43 132.00 133.17 2k3j h PRO 106 Ca -0.09 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k3j h PRO 106 Cb 1.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k3j h PRO 106 CO 0.36 1.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.66 2k3j n ASP 107 N -3.37 0.00 0.00 1.44 2.03 -1.26 -4.99 116.55 110.41 2k3j n ASP 107 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2k3j n ASP 107 Cb 1.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 0.00 0.00 -0.42 -2.67 -0.00 -1.26 -5.32 117.00 107.33 2k3j n LEU 108 Ca 0.00 0.10 0.14 0.00 -0.00 0.00 0.00 56.01 56.25 2k3j n LEU 108 Cb 0.00 -0.10 0.58 0.00 -0.00 0.00 0.00 43.42 43.90 2k3j n LEU 108 CO 0.00 -0.10 0.90 0.00 -0.00 0.00 0.00 177.39 178.19