#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 0.00 -4.51 0.99 7.94 -1.26 -4.82 117.00 115.34 2k3j n LEU 46 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 2k3j n LEU 46 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 2k3j n LEU 46 CO 0.00 0.00 -0.44 -0.63 -1.11 0.00 0.00 177.39 175.21 2k3j s ILE 47 N 0.00 3.18 0.38 1.96 -1.09 -1.26 -0.37 121.20 124.00 2k3j s ILE 47 Ca 0.00 -0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 57.44 2k3j s ILE 47 Cb 0.00 -2.31 -0.08 0.00 -1.58 0.00 0.00 42.46 38.49 2k3j s ILE 47 CO 0.00 0.47 0.79 -0.76 -1.23 0.00 0.00 174.94 174.21 2k3j s LEU 48 N -1.10 3.93 0.00 2.97 1.43 0.10 -4.76 118.68 121.26 2k3j s LEU 48 Ca 0.14 1.28 0.13 0.00 -1.03 0.00 0.00 54.13 54.65 2k3j s LEU 48 Cb -0.11 -4.13 0.75 0.00 0.03 0.00 0.00 46.19 42.74 2k3j s LEU 48 CO 0.04 -0.32 1.18 -0.81 0.23 0.00 0.00 176.35 176.67 2k3j n PRO 49 N -0.82 0.41 0.04 1.29 -0.04 -1.26 -1.12 135.00 133.49 2k3j n PRO 49 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2k3j n PRO 49 Cb 0.54 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.98 0.62 0.00 3.54 0.23 -1.26 -5.01 115.26 112.40 2k3j n ASN 50 Ca 0.09 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2k3j n ASN 50 Cb 0.04 0.70 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 2k3j n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3j n GLY 51 N 1.34 0.75 3.84 4.83 0.00 -0.27 -5.12 105.19 110.56 2k3j n GLY 51 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.98 4.27 0.42 1.61 3.84 -1.26 -4.83 114.94 117.01 2k3j s ASN 52 Ca 0.00 0.97 -0.22 0.00 0.21 0.00 0.00 52.86 53.83 2k3j s ASN 52 Cb 0.00 -1.57 -0.11 0.00 -0.55 0.00 0.00 41.25 39.02 2k3j s ASN 52 CO 0.00 -2.07 0.95 -0.63 -2.79 0.00 0.00 177.10 172.56 2k3j s ILE 53 N -3.38 4.34 -1.06 -5.21 1.01 -1.26 -0.72 121.20 114.91 2k3j s ILE 53 Ca 0.62 1.50 -0.16 0.00 0.00 0.00 0.00 60.65 62.62 2k3j s ILE 53 Cb -0.13 -3.63 0.16 0.00 0.01 0.00 0.00 42.46 38.87 2k3j s ILE 53 CO 0.52 -0.27 1.25 0.21 0.00 0.00 0.00 174.94 176.65 2k3j s ASN 54 N -2.11 6.88 0.00 3.58 2.47 0.50 -4.65 114.94 121.62 2k3j s ASN 54 Ca 0.61 -2.61 0.00 0.00 0.42 0.00 0.00 52.86 51.28 2k3j s ASN 54 Cb -0.10 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2k3j s ASN 54 CO 0.15 -0.84 0.37 0.79 -3.72 0.00 0.00 177.10 173.84 2k3j n TRP 55 N 5.77 0.00 -1.63 0.43 7.02 -1.26 -3.06 117.44 124.71 2k3j n TRP 55 Ca 0.29 -0.06 0.05 0.00 -1.02 0.00 0.00 57.50 56.76 2k3j n TRP 55 Cb 0.45 -0.09 0.08 0.00 -2.42 0.00 0.00 31.31 29.33 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 0.30 1.20 -4.87 -0.99 5.15 -1.26 -4.39 115.26 110.40 2k3j n ASN 56 Ca 0.00 -2.61 -0.31 0.00 -0.60 0.00 0.00 54.58 51.06 2k3j n ASN 56 Cb 0.18 -0.33 0.01 0.00 -0.53 0.00 0.00 39.78 39.11 2k3j n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3j h PRO 58 N -0.31 -0.43 0.02 0.00 0.13 -1.97 -0.04 132.00 129.39 2k3j h PRO 58 Ca -0.44 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k3j h PRO 58 Cb 1.19 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2k3j h PRO 58 CO 0.62 -0.29 -0.01 0.00 -0.23 0.00 0.00 178.00 178.10 2k3j h LEU 60 N -0.99 0.70 0.16 0.00 5.85 -1.95 -2.76 115.31 116.31 2k3j h LEU 60 Ca -0.00 0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.46 2k3j h LEU 60 Cb 0.43 -0.09 0.03 0.00 0.37 0.00 0.00 40.66 41.40 2k3j h LEU 60 CO 0.00 0.35 -1.29 1.23 -0.34 0.00 0.00 178.44 178.39 2k3j h GLY 61 N 0.74 0.67 1.64 3.75 0.00 -1.18 -3.25 103.07 105.43 2k3j h GLY 61 Ca 0.46 -1.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.22 2k3j h GLY 61 CO -0.22 1.31 -0.22 -1.33 0.00 0.00 0.00 176.54 176.07 2k3j h GLY 62 N 0.21 0.46 2.00 4.60 0.00 -1.65 -2.56 103.07 106.12 2k3j h GLY 62 Ca -0.21 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2k3j h GLY 62 CO 0.25 0.33 0.00 1.98 0.00 0.00 0.00 176.54 179.09 2k3j h MET 63 N 0.38 0.00 -0.55 4.80 -1.53 -1.53 -0.85 114.93 115.66 2k3j h MET 63 Ca 0.06 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2k3j h MET 63 Cb 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2k3j h MET 63 CO 0.04 0.00 0.00 0.00 0.14 0.00 0.00 176.91 177.09 2k3j n ALA 64 N -2.05 2.41 -2.12 0.39 0.00 -0.97 -4.73 120.51 113.43 2k3j n ALA 64 Ca -0.02 -1.11 -0.24 0.00 0.00 0.00 0.00 53.44 52.07 2k3j n ALA 64 Cb 0.11 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.25 5.51 0.00 0.00 0.01 -0.33 -4.37 113.70 113.28 2k3j s SER 65 Ca 0.43 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2k3j s SER 65 Cb 0.24 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2k3j s SER 65 CO 0.32 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2k3j n GLY 66 N -2.39 -2.18 0.23 3.44 0.00 -1.26 -3.58 105.19 99.44 2k3j n GLY 66 Ca 0.05 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.02 1.61 0.13 -2.00 -2.01 132.00 129.71 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 0.20 -0.10 0.00 -0.23 0.00 0.00 178.00 177.87 2k3j h GLY 69 N 4.83 -0.03 0.93 0.00 0.00 -1.41 -1.85 103.07 105.54 2k3j h GLY 69 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2k3j h GLY 69 CO 0.00 -0.01 0.46 0.83 0.00 0.00 0.00 176.54 177.82 2k3j h GLU 70 N -0.06 0.00 0.07 4.80 3.07 -1.77 -0.71 114.58 119.98 2k3j h GLU 70 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2k3j h GLU 70 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2k3j h GLU 70 CO 0.01 0.00 -0.03 1.96 -1.40 0.00 0.00 179.01 179.54 2k3j h GLN 71 N 0.00 -0.09 -0.77 2.33 1.08 -1.66 -2.86 115.11 113.14 2k3j h GLN 71 Ca 0.13 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2k3j h GLN 71 Cb 1.04 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.46 2k3j h GLN 71 CO -0.00 0.45 0.46 0.35 -0.95 0.00 0.00 178.83 179.14 2k3j h PHE 72 N -0.73 1.01 -0.12 2.96 3.57 -1.34 -0.62 116.94 121.66 2k3j h PHE 72 Ca -0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2k3j h PHE 72 Cb 0.59 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2k3j h PHE 72 CO 0.12 0.67 -0.45 0.87 -2.23 0.00 0.00 178.31 177.29 2k3j h LYS 73 N 1.05 -0.51 -0.21 1.11 1.79 -1.22 -2.17 116.57 116.41 2k3j h LYS 73 Ca 0.28 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.69 2k3j h LYS 73 Cb -0.04 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2k3j h LYS 73 CO -0.05 -0.34 -0.20 1.03 -1.08 0.00 0.00 179.45 178.81 2k3j h SER 74 N -0.53 0.55 0.21 0.86 0.87 -1.26 -2.74 113.55 111.51 2k3j h SER 74 Ca 0.06 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2k3j h SER 74 Cb 0.65 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2k3j h SER 74 CO -0.40 0.90 -0.47 0.00 -0.53 0.00 0.00 176.83 176.33 2k3j h ALA 75 N 0.66 -1.00 0.00 6.23 0.00 -1.06 -0.73 119.26 123.36 2k3j h ALA 75 Ca 0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2k3j h ALA 75 Cb 0.75 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2k3j h ALA 75 CO 0.05 -1.09 -0.77 0.35 0.00 0.00 0.00 179.25 177.79 2k3j h PHE 76 N -0.75 0.00 -0.16 0.00 3.57 -1.49 -1.64 116.94 116.47 2k3j h PHE 76 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2k3j h PHE 76 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2k3j h PHE 76 CO -0.38 0.77 0.01 1.03 -2.23 0.00 0.00 178.31 177.51 2k3j h SER 77 N 0.00 0.28 -0.41 0.41 0.87 -1.49 -0.01 113.55 113.20 2k3j h SER 77 Ca -0.01 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2k3j h SER 77 Cb 1.42 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2k3j h SER 77 CO 0.10 0.50 0.26 0.00 -0.53 0.00 0.00 176.83 177.17 2k3j h PHE 79 N 0.55 0.27 -0.54 0.00 3.57 -1.32 0.09 116.94 119.56 2k3j h PHE 79 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2k3j h PHE 79 Cb -0.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2k3j h PHE 79 CO -0.04 0.11 0.01 1.25 -2.23 0.00 0.00 178.31 177.41 2k3j h HIS 80 N 0.32 0.98 0.00 0.41 2.76 -0.24 -1.35 115.15 118.03 2k3j h HIS 80 Ca 0.18 -0.15 -0.18 0.00 -2.20 0.00 0.00 60.37 58.03 2k3j h HIS 80 Cb 0.15 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 2k3j h HIS 80 CO -0.14 0.88 -0.83 1.88 -1.30 0.00 0.00 177.93 178.42 2k3j h TYR 81 N 0.85 0.11 -0.28 5.26 -1.99 -0.61 -3.11 116.97 117.20 2k3j h TYR 81 Ca 0.16 -0.06 -0.18 0.00 2.00 0.00 0.00 58.73 60.65 2k3j h TYR 81 Cb 0.48 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 2k3j h TYR 81 CO 0.03 0.86 -0.54 1.03 -0.00 0.00 0.00 178.16 179.54 2k3j h SER 82 N 0.04 0.93 -6.42 3.88 0.87 -0.89 -3.49 113.55 108.47 2k3j h SER 82 Ca -0.02 -0.50 -0.42 0.00 -1.23 0.00 0.00 61.79 59.63 2k3j h SER 82 Cb 1.44 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2k3j h SER 82 CO 0.11 1.29 -1.00 1.07 -0.53 0.00 0.00 176.83 177.77 2k3j n THR 83 N -4.00 -2.94 0.00 2.23 5.66 -0.52 -5.00 114.28 109.70 2k3j n THR 83 Ca -0.04 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2k3j n THR 83 Cb 0.62 -2.64 0.00 0.00 -1.55 0.00 0.00 70.33 66.76 2k3j n THR 83 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k3j n GLU 84 N -1.83 0.00 0.13 1.09 -0.58 -1.26 -5.12 120.64 113.07 2k3j n GLU 84 Ca -0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 2k3j n GLU 84 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 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 -3.61 3.49 2.13 -1.26 -5.13 120.64 116.25 2k3j n GLU 85 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2k3j n GLU 85 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 -2.00 5.31 -0.59 6.31 1.09 -1.26 -5.01 121.20 125.04 2k3j s ILE 86 Ca 0.00 0.50 -0.35 0.00 -1.10 0.00 0.00 60.65 59.69 2k3j s ILE 86 Cb 0.00 -3.59 -0.16 0.00 -1.06 0.00 0.00 42.46 37.65 2k3j s ILE 86 CO 0.00 0.47 2.35 0.29 -0.10 0.00 0.00 174.94 177.95 2k3j n LYS 87 N 2.97 0.46 -0.14 2.79 5.02 -1.26 -1.99 118.16 126.01 2k3j n LYS 87 Ca -0.14 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2k3j n LYS 87 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 6.74 0.93 0.12 0.72 0.00 -1.26 -4.99 105.19 107.45 2k3j n GLY 88 Ca 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 0.03 -0.31 -0.94 1.61 3.41 -0.84 -0.35 113.62 116.23 2k3j n SER 89 Ca 0.00 0.81 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2k3j n SER 89 Cb 0.00 -0.21 0.27 0.00 -0.26 0.00 0.00 64.21 64.01 2k3j n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k3j n ASP 90 N -3.66 2.79 0.00 4.04 9.92 -1.26 -4.49 116.55 123.89 2k3j n ASP 90 Ca 0.01 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 2k3j n ASP 90 Cb 0.08 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2k3j n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3j h VAL 92 N 0.99 0.21 -0.73 0.00 2.07 -1.39 -1.89 116.25 115.50 2k3j h VAL 92 Ca 0.00 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2k3j h VAL 92 Cb 0.59 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 2k3j h VAL 92 CO 0.00 0.03 0.21 -0.78 0.02 0.00 0.00 177.57 177.05 2k3j h ASP 93 N 0.17 0.08 -0.38 0.57 1.82 -1.92 -1.66 116.42 115.10 2k3j h ASP 93 Ca 0.77 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 57.44 2k3j h ASP 93 Cb 2.23 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 42.39 2k3j h ASP 93 CO -0.45 -0.00 -0.17 1.56 -1.61 0.00 0.00 179.24 178.56 2k3j h GLN 94 N 0.31 0.86 -0.26 0.28 7.50 -1.72 -0.16 115.11 121.91 2k3j h GLN 94 Ca 0.41 -0.33 -0.15 0.00 0.50 0.00 0.00 58.65 59.08 2k3j h GLN 94 Cb 0.68 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 2k3j h GLN 94 CO -0.48 0.96 -0.45 0.74 -1.50 0.00 0.00 178.83 178.10 2k3j h PHE 95 N 0.76 0.82 -0.43 2.96 -1.00 -1.56 -1.12 116.94 117.36 2k3j h PHE 95 Ca 0.11 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 2k3j h PHE 95 Cb 0.69 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 2k3j h PHE 95 CO 0.04 1.00 0.22 -0.09 -1.61 0.00 0.00 178.31 177.87 2k3j h ARG 96 N 0.54 0.60 -0.79 1.51 2.43 -1.06 -1.18 114.38 116.43 2k3j h ARG 96 Ca 0.03 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2k3j h ARG 96 Cb 1.00 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 2k3j h ARG 96 CO 0.09 0.49 0.52 0.00 -1.51 0.00 0.00 179.97 179.57 2k3j h ALA 97 N 1.07 1.54 -0.37 2.80 0.00 -0.85 0.02 119.26 123.48 2k3j h ALA 97 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2k3j h ALA 97 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2k3j h ALA 97 CO -0.02 0.37 0.01 1.98 0.00 0.00 0.00 179.25 181.59 2k3j h MET 98 N 0.95 0.64 -0.13 0.00 1.85 -0.92 -2.76 114.93 114.57 2k3j h MET 98 Ca 0.32 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 59.18 2k3j h MET 98 Cb 0.07 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.04 2k3j h MET 98 CO -0.10 0.74 -0.02 0.37 -0.40 0.00 0.00 176.91 177.51 2k3j h GLN 99 N 0.47 0.24 -0.20 0.39 4.15 -0.49 -1.01 115.11 118.66 2k3j h GLN 99 Ca 0.11 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2k3j h GLN 99 Cb 0.44 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2k3j h GLN 99 CO 0.02 0.52 0.01 1.05 -1.93 0.00 0.00 178.83 178.49 2k3j h GLU 100 N -0.05 0.28 -0.12 1.69 4.11 -1.10 -1.25 114.58 118.13 2k3j h GLU 100 Ca 0.03 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 2k3j h GLU 100 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k3j h GLU 100 CO 0.01 0.30 -0.33 0.00 0.07 0.00 0.00 179.01 179.06 2k3j h MET 102 N 0.02 0.66 0.00 0.00 2.86 -0.87 -0.72 114.93 116.88 2k3j h MET 102 Ca -0.01 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2k3j h MET 102 Cb 0.95 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2k3j h MET 102 CO 0.07 0.85 0.00 0.00 1.06 0.00 0.00 176.91 178.89 2k3j n GLN 103 N -4.11 0.11 0.01 1.72 -0.00 -0.50 -2.35 117.38 112.26 2k3j n GLN 103 Ca -0.00 0.30 -0.06 0.00 -0.00 0.00 0.00 57.00 57.24 2k3j n GLN 103 Cb 0.43 -1.69 -0.12 0.00 -0.00 0.00 0.00 30.24 28.86 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 0.00 0.00 -2.27 2.61 1.79 -1.15 -3.45 116.57 114.10 2k3j h LYS 104 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2k3j h LYS 104 Cb 0.36 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.63 2k3j h LYS 104 CO 0.00 0.50 -1.01 0.66 -1.08 0.00 0.00 179.45 178.53 2k3j n TYR 105 N -3.05 -0.84 -0.01 -1.35 4.01 -0.35 -5.02 117.16 110.55 2k3j n TYR 105 Ca -0.12 -3.35 -0.16 0.00 -0.16 0.00 0.00 57.90 54.11 2k3j n TYR 105 Cb 0.98 0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 40.03 2k3j n TYR 105 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2k3j h PRO 106 N 5.25 0.28 -0.71 -0.72 0.13 -1.84 -3.44 132.00 130.95 2k3j h PRO 106 Ca 0.22 -0.29 0.05 0.00 -0.87 0.00 0.00 66.00 65.11 2k3j h PRO 106 Cb 0.90 0.08 -0.19 0.00 0.13 0.00 0.00 31.00 31.92 2k3j h PRO 106 CO 0.39 1.00 -0.29 0.16 -0.23 0.00 0.00 178.00 179.03 2k3j s ASP 107 N -6.50 -1.12 0.00 1.44 -4.77 -1.26 -5.01 116.67 99.45 2k3j s ASP 107 Ca -0.15 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 2k3j s ASP 107 Cb 0.02 1.54 0.00 0.00 -1.09 0.00 0.00 42.92 43.39 2k3j s ASP 107 CO 0.78 -0.16 0.00 0.00 0.70 0.00 0.00 175.17 176.49 2k3j n LEU 108 N 4.63 0.00 -0.80 2.11 -0.00 -1.26 -5.30 117.00 116.39 2k3j n LEU 108 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.19 2k3j n LEU 108 Cb 0.58 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.08 2k3j n LEU 108 CO -0.06 0.12 0.57 0.00 -0.00 0.00 0.00 177.39 178.01