#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3j h LEU 46 N 0.00 0.00 -9.73 0.99 8.10 -1.98 -3.41 115.31 109.28 2k3j h LEU 46 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.45 2k3j h LEU 46 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 2k3j h LEU 46 CO 0.00 0.25 0.11 -0.63 -4.11 0.00 0.00 178.44 174.06 2k3j s ILE 47 N -4.27 4.50 0.65 0.15 -1.09 -1.26 -0.61 121.20 119.27 2k3j s ILE 47 Ca -0.03 1.52 -0.11 0.00 -2.23 0.00 0.00 60.65 59.80 2k3j s ILE 47 Cb 0.14 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2k3j s ILE 47 CO 0.67 0.50 1.05 -0.76 -1.23 0.00 0.00 174.94 175.17 2k3j s LEU 48 N -1.22 3.15 0.50 2.97 1.43 0.12 -4.79 118.68 120.85 2k3j s LEU 48 Ca 0.34 1.42 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 2k3j s LEU 48 Cb -0.21 -4.40 1.29 0.00 0.03 0.00 0.00 46.19 42.90 2k3j s LEU 48 CO 0.24 -1.07 2.00 1.55 0.23 0.00 0.00 176.35 179.29 2k3j h PRO 49 N -0.46 0.11 -0.00 1.29 0.13 -1.96 -1.33 132.00 129.77 2k3j h PRO 49 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k3j h PRO 49 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k3j h PRO 49 CO 0.61 0.07 -0.03 0.27 -0.23 0.00 0.00 178.00 178.69 2k3j n ASN 50 N -4.42 0.16 0.00 1.44 6.94 -1.26 -4.96 115.26 113.16 2k3j n ASN 50 Ca 0.09 -0.52 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 2k3j n ASN 50 Cb 0.52 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 1.20 2.92 3.78 4.83 0.00 -0.50 -5.08 105.19 112.33 2k3j n GLY 51 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 4.61 0.27 1.61 2.47 -1.26 -4.70 114.94 117.54 2k3j s ASN 52 Ca 0.00 1.70 -0.24 0.00 0.42 0.00 0.00 52.86 54.74 2k3j s ASN 52 Cb 0.00 -2.44 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2k3j s ASN 52 CO 0.00 -1.95 0.86 -0.63 -3.72 0.00 0.00 177.10 171.66 2k3j s ILE 53 N -2.96 4.32 -1.16 -5.21 1.01 -1.26 -0.70 121.20 115.23 2k3j s ILE 53 Ca 0.61 1.68 -0.22 0.00 0.00 0.00 0.00 60.65 62.72 2k3j s ILE 53 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2k3j s ILE 53 CO 0.56 0.23 1.84 0.21 0.00 0.00 0.00 174.94 177.78 2k3j s ASN 54 N -1.54 5.67 0.00 3.58 2.47 0.22 -4.79 114.94 120.55 2k3j s ASN 54 Ca 0.46 -1.73 0.02 0.00 0.42 0.00 0.00 52.86 52.03 2k3j s ASN 54 Cb -0.19 -2.58 0.11 0.00 -1.45 0.00 0.00 41.25 37.13 2k3j s ASN 54 CO 0.24 -2.38 0.93 0.79 -3.72 0.00 0.00 177.10 172.97 2k3j n TRP 55 N 12.21 0.00 1.64 0.43 7.02 -1.26 -1.36 117.44 136.12 2k3j n TRP 55 Ca 0.44 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 57.07 2k3j n TRP 55 Cb 0.47 -0.35 0.73 0.00 -2.42 0.00 0.00 31.31 29.75 2k3j n TRP 55 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2k3j n ASN 56 N -1.35 0.43 -4.70 -0.99 4.05 -1.26 -4.00 115.26 107.44 2k3j n ASN 56 Ca 0.01 -0.84 -0.39 0.00 0.45 0.00 0.00 54.58 53.81 2k3j n ASN 56 Cb 0.02 -0.06 0.04 0.00 1.23 0.00 0.00 39.78 41.02 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k3j s PRO 58 N -2.81 4.35 0.00 0.00 0.04 -1.26 -0.73 135.00 134.59 2k3j s PRO 58 Ca 0.72 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.96 2k3j s PRO 58 Cb -0.43 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2k3j s PRO 58 CO 0.49 -0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.34 2k3j h LEU 60 N 0.00 0.21 -0.06 0.00 5.85 -1.96 0.03 115.31 119.38 2k3j h LEU 60 Ca 0.00 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2k3j h LEU 60 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2k3j h LEU 60 CO 0.00 0.12 -0.78 1.23 -0.34 0.00 0.00 178.44 178.67 2k3j h GLY 61 N 0.23 0.00 0.94 3.75 0.00 -1.06 -2.91 103.07 104.01 2k3j h GLY 61 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 2k3j h GLY 61 CO -0.05 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 174.95 2k3j h GLY 62 N 3.11 0.72 1.93 4.60 0.00 -1.22 -2.85 103.07 109.36 2k3j h GLY 62 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.64 2k3j h GLY 62 CO 0.10 0.63 0.03 -0.33 0.00 0.00 0.00 176.54 176.97 2k3j h MET 63 N 0.40 0.00 -0.01 4.80 2.07 -1.20 -2.01 114.93 118.99 2k3j h MET 63 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2k3j h MET 63 Cb 0.76 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.49 2k3j h MET 63 CO 0.06 0.00 -0.15 0.00 1.07 0.00 0.00 176.91 177.88 2k3j n ALA 64 N -2.45 2.87 -2.95 6.32 0.00 -1.10 -4.76 120.51 118.44 2k3j n ALA 64 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 2k3j n ALA 64 Cb 0.12 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.37 6.31 0.00 0.00 0.01 -0.76 -4.45 113.70 112.45 2k3j s SER 65 Ca 0.29 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2k3j s SER 65 Cb 0.20 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2k3j s SER 65 CO 0.46 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2k3j n GLY 66 N -0.95 -1.73 0.19 3.44 0.00 -1.26 -4.30 105.19 100.58 2k3j n GLY 66 Ca -0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.48 0.00 1.61 0.13 -1.98 -2.24 132.00 130.01 2k3j h PRO 67 Ca 0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k3j h PRO 67 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2k3j h PRO 67 CO 0.00 1.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 2k3j h GLY 69 N 3.87 1.47 1.92 0.00 0.00 -1.59 -1.35 103.07 107.39 2k3j h GLY 69 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2k3j h GLY 69 CO 0.00 -0.04 -0.47 1.05 0.00 0.00 0.00 176.54 177.08 2k3j h GLU 70 N 0.66 0.09 -0.28 4.80 -0.00 -1.80 0.03 114.58 118.08 2k3j h GLU 70 Ca 0.49 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.36 59.65 2k3j h GLU 70 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.45 2k3j h GLU 70 CO -0.37 0.55 -0.39 1.96 -0.00 0.00 0.00 179.01 180.76 2k3j h GLN 71 N 0.07 0.77 -0.50 1.06 1.08 -1.58 -0.06 115.11 115.95 2k3j h GLN 71 Ca 0.00 -0.45 -0.05 0.00 -1.45 0.00 0.00 58.65 56.71 2k3j h GLN 71 Cb 0.87 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2k3j h GLN 71 CO 0.07 1.07 0.13 0.35 -0.95 0.00 0.00 178.83 179.50 2k3j h PHE 72 N 0.52 0.82 -0.09 2.96 3.04 -1.32 0.71 116.94 123.58 2k3j h PHE 72 Ca 0.03 -0.09 0.03 0.00 3.98 0.00 0.00 57.97 61.91 2k3j h PHE 72 Cb 0.99 -0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.21 2k3j h PHE 72 CO 0.08 0.73 -0.50 0.87 -2.02 0.00 0.00 178.31 177.46 2k3j h LYS 73 N 0.68 -0.54 0.20 1.11 1.79 -0.90 -1.71 116.57 117.20 2k3j h LYS 73 Ca 0.16 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 2k3j h LYS 73 Cb 0.31 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2k3j h LYS 73 CO -0.00 -0.36 -0.12 1.03 -1.08 0.00 0.00 179.45 178.92 2k3j h SER 74 N -0.56 -0.29 0.12 0.86 0.87 -0.86 -1.02 113.55 112.65 2k3j h SER 74 Ca 0.02 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2k3j h SER 74 Cb 0.64 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2k3j h SER 74 CO -0.38 -0.19 -0.07 0.00 -0.53 0.00 0.00 176.83 175.65 2k3j h ALA 75 N 0.49 -0.17 0.00 6.23 0.00 -0.82 0.16 119.26 125.15 2k3j h ALA 75 Ca -0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2k3j h ALA 75 Cb 0.25 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k3j h ALA 75 CO 0.02 -0.60 -0.63 0.35 0.00 0.00 0.00 179.25 178.39 2k3j h PHE 76 N -0.18 0.00 0.01 0.00 3.57 -1.34 -1.58 116.94 117.41 2k3j h PHE 76 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k3j h PHE 76 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2k3j h PHE 76 CO -0.09 0.63 -0.00 1.03 -2.23 0.00 0.00 178.31 177.65 2k3j h SER 77 N 0.00 -0.01 -0.84 0.41 0.87 -1.01 -2.95 113.55 110.02 2k3j h SER 77 Ca -0.01 -0.43 0.12 0.00 -1.23 0.00 0.00 61.79 60.24 2k3j h SER 77 Cb 1.22 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2k3j h SER 77 CO 0.08 0.43 0.46 0.00 -0.53 0.00 0.00 176.83 177.26 2k3j h PHE 79 N 0.71 0.19 0.00 0.00 3.57 -1.36 -2.16 116.94 117.88 2k3j h PHE 79 Ca 0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2k3j h PHE 79 Cb 0.51 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2k3j h PHE 79 CO -0.08 0.15 0.00 0.45 -2.23 0.00 0.00 178.31 176.61 2k3j h HIS 80 N 0.17 0.00 0.00 0.41 3.86 -1.00 0.11 115.15 118.69 2k3j h HIS 80 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2k3j h HIS 80 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2k3j h HIS 80 CO -0.06 0.00 -0.39 0.66 0.86 0.00 0.00 177.93 179.01 2k3j n TYR 81 N -2.66 0.54 -0.12 2.45 4.02 -0.24 -4.50 117.16 116.66 2k3j n TYR 81 Ca 0.03 0.16 -0.22 0.00 -0.01 0.00 0.00 57.90 57.86 2k3j n TYR 81 Cb 0.39 -0.67 -0.07 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.02 1.83 0.00 7.72 2.88 -0.80 -5.03 113.62 118.20 2k3j n SER 82 Ca 0.04 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2k3j n SER 82 Cb 0.42 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -4.22 0.00 0.00 2.46 -2.24 0.30 -4.94 114.28 105.64 2k3j n THR 83 Ca -0.40 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2k3j n THR 83 Cb 0.75 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.00 0.00 0.08 -0.78 -0.58 -1.26 -4.60 120.64 113.49 2k3j n GLU 84 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2k3j n GLU 84 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.00 0.00 -2.82 3.49 2.13 -1.26 -5.15 120.64 117.03 2k3j n GLU 85 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 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 0.42 -0.41 0.00 0.00 177.13 177.14 2k3j s ILE 86 N -1.40 4.20 -0.85 6.31 -1.09 -1.26 -4.94 121.20 122.15 2k3j s ILE 86 Ca 0.00 1.96 -0.18 0.00 -2.23 0.00 0.00 60.65 60.20 2k3j s ILE 86 Cb 0.00 -4.27 -0.22 0.00 -1.58 0.00 0.00 42.46 36.39 2k3j s ILE 86 CO 0.00 0.49 2.22 0.29 -1.23 0.00 0.00 174.94 176.72 2k3j n LYS 87 N 1.62 0.28 -0.85 2.79 4.76 -1.26 -3.40 118.16 122.10 2k3j n LYS 87 Ca -0.03 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 2k3j n LYS 87 Cb 0.48 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 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 6.14 0.86 0.00 0.72 0.00 -1.26 -5.02 105.19 106.63 2k3j n GLY 88 Ca 0.53 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k3j n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3j n SER 89 N 1.14 0.00 0.19 1.61 3.41 -1.22 -1.49 113.62 117.25 2k3j n SER 89 Ca 0.00 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 2k3j n SER 89 Cb 0.14 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.76 2k3j n SER 89 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k3j h ASP 90 N 0.00 0.00 0.38 4.04 5.19 -1.97 -1.14 116.42 122.92 2k3j h ASP 90 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k3j h ASP 90 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k3j h ASP 90 CO 0.00 0.00 -0.18 0.00 -3.12 0.00 0.00 179.24 175.94 2k3j h VAL 92 N 0.66 0.06 -0.36 0.00 3.04 -0.08 0.06 116.25 119.63 2k3j h VAL 92 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 2k3j h VAL 92 Cb 0.42 0.45 -0.04 0.00 -2.01 0.00 0.00 31.29 30.12 2k3j h VAL 92 CO 0.00 0.00 0.14 -0.78 -1.01 0.00 0.00 177.57 175.92 2k3j h ASP 93 N 0.00 0.18 0.72 3.17 3.58 -1.87 0.80 116.42 123.00 2k3j h ASP 93 Ca 0.06 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 2k3j h ASP 93 Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2k3j h ASP 93 CO -0.00 0.14 -0.47 1.56 -2.88 0.00 0.00 179.24 177.59 2k3j h GLN 94 N 0.31 0.00 -0.08 0.28 4.20 -1.36 -0.27 115.11 118.19 2k3j h GLN 94 Ca 0.16 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.65 2k3j h GLN 94 Cb 0.11 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2k3j h GLN 94 CO -0.14 0.47 -0.84 0.74 -0.67 0.00 0.00 178.83 178.39 2k3j h PHE 95 N 0.00 0.81 -0.26 2.96 -1.00 -1.58 -1.28 116.94 116.59 2k3j h PHE 95 Ca -0.00 -0.39 0.01 0.00 2.81 0.00 0.00 57.97 60.39 2k3j h PHE 95 Cb 0.95 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 2k3j h PHE 95 CO 0.00 1.19 0.17 -0.09 -1.61 0.00 0.00 178.31 177.97 2k3j h ARG 96 N 0.37 0.33 -0.28 1.51 2.43 -0.38 -0.86 114.38 117.51 2k3j h ARG 96 Ca -0.06 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2k3j h ARG 96 Cb 1.45 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 2k3j h ARG 96 CO 0.16 0.22 0.03 0.00 -1.51 0.00 0.00 179.97 178.87 2k3j h ALA 97 N 1.10 0.27 -0.04 2.80 0.00 -1.09 -0.30 119.26 122.01 2k3j h ALA 97 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2k3j h ALA 97 Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2k3j h ALA 97 CO -0.03 -0.38 -0.16 1.98 0.00 0.00 0.00 179.25 180.66 2k3j h MET 98 N 0.13 -0.23 -0.17 0.00 1.85 -0.91 -1.04 114.93 114.56 2k3j h MET 98 Ca 0.13 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 2k3j h MET 98 Cb 0.15 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 2k3j h MET 98 CO -0.19 -0.15 -0.05 0.37 -0.40 0.00 0.00 176.91 176.48 2k3j h GLN 99 N -0.24 0.34 0.00 0.39 4.15 -1.00 -2.46 115.11 116.29 2k3j h GLN 99 Ca 0.06 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2k3j h GLN 99 Cb 0.33 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2k3j h GLN 99 CO -0.18 0.62 0.00 -0.85 -1.93 0.00 0.00 178.83 176.49 2k3j n GLU 100 N -4.65 0.08 -0.06 1.69 0.28 -0.14 -2.24 120.64 115.61 2k3j n GLU 100 Ca -0.05 0.24 -0.14 0.00 -0.16 0.00 0.00 57.16 57.04 2k3j n GLU 100 Cb 0.28 -1.64 -0.13 0.00 1.43 0.00 0.00 31.44 31.38 2k3j n GLU 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3j h MET 102 N -0.90 0.00 0.00 0.00 2.86 -1.11 -0.25 114.93 115.52 2k3j h MET 102 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k3j h MET 102 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2k3j h MET 102 CO 0.01 0.20 -0.06 0.00 1.06 0.00 0.00 176.91 178.12 2k3j n GLN 103 N -3.41 0.27 -0.04 1.72 10.64 -0.95 -3.77 117.38 121.84 2k3j n GLN 103 Ca -0.00 0.21 0.04 0.00 -1.83 0.00 0.00 57.00 55.42 2k3j n GLN 103 Cb 0.39 -1.80 -0.15 0.00 -0.86 0.00 0.00 30.24 27.82 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 -2.27 0.72 -3.62 2.61 5.02 -0.85 -4.81 118.16 114.96 2k3j n LYS 104 Ca 0.05 -0.13 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 2k3j n LYS 104 Cb 0.43 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 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 -3.10 3.50 -0.03 2.13 2.02 -0.16 -5.00 117.35 116.71 2k3j s TYR 105 Ca -0.08 -2.40 -0.21 0.00 -0.37 0.00 0.00 57.07 54.01 2k3j s TYR 105 Cb 0.11 -3.37 -0.14 0.00 -0.40 0.00 0.00 41.96 38.15 2k3j s TYR 105 CO 0.81 -0.91 0.91 -1.00 -1.57 0.00 0.00 175.55 173.79 2k3j h PRO 106 N 7.53 -0.36 0.00 -1.71 0.13 -1.88 -3.43 132.00 132.28 2k3j h PRO 106 Ca -0.04 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2k3j h PRO 106 Cb 1.00 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 2k3j h PRO 106 CO 0.75 -0.02 -0.15 -3.47 -0.23 0.00 0.00 178.00 174.88 2k3j n ASP 107 N -5.04 -0.63 0.07 1.44 -0.08 -1.26 -5.00 116.55 106.05 2k3j n ASP 107 Ca -0.08 -1.30 0.09 0.00 -1.51 0.00 0.00 54.79 51.99 2k3j n ASP 107 Cb 0.26 0.24 0.40 0.00 2.34 0.00 0.00 41.12 44.35 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 -0.32 0.35 -0.11 -2.67 -0.00 -1.26 -5.26 117.00 107.73 2k3j n LEU 108 Ca -0.13 0.59 0.16 0.00 -0.00 0.00 0.00 56.01 56.63 2k3j n LEU 108 Cb 0.57 -0.55 0.86 0.00 -0.00 0.00 0.00 43.42 44.29 2k3j n LEU 108 CO -0.08 -0.45 1.06 0.00 -0.00 0.00 0.00 177.39 177.92