#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 -9.47 0.99 8.10 -1.98 -3.45 115.31 109.50 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 0.00 0.24 -0.63 -4.11 0.00 0.00 178.44 173.94 2k3j s ILE 47 N -3.19 4.79 0.51 0.15 -1.09 -1.26 -0.58 121.20 120.52 2k3j s ILE 47 Ca 0.07 1.79 -0.18 0.00 -2.23 0.00 0.00 60.65 60.10 2k3j s ILE 47 Cb 0.07 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.68 2k3j s ILE 47 CO 0.66 0.28 1.01 -0.76 -1.23 0.00 0.00 174.94 174.90 2k3j s LEU 48 N 0.41 3.71 0.00 2.97 1.43 0.29 -4.88 118.68 122.61 2k3j s LEU 48 Ca 0.43 1.76 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2k3j s LEU 48 Cb -0.21 -4.54 0.47 0.00 0.03 0.00 0.00 46.19 41.95 2k3j s LEU 48 CO 0.25 -0.75 1.11 -0.81 0.23 0.00 0.00 176.35 176.37 2k3j n PRO 49 N -1.35 0.17 -0.10 1.29 -0.04 -1.26 -1.17 135.00 132.54 2k3j n PRO 49 Ca 0.08 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2k3j n PRO 49 Cb 0.53 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.21 2.89 0.00 3.54 0.23 -1.26 -4.99 115.26 114.47 2k3j n ASN 50 Ca 0.05 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 2k3j n ASN 50 Cb 0.06 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 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 1.38 1.95 3.89 4.83 0.00 -0.32 -5.08 105.19 111.83 2k3j n GLY 51 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.55 3.57 -0.13 1.61 3.84 -1.26 -4.77 114.94 116.25 2k3j s ASN 52 Ca 0.00 0.56 -0.07 0.00 0.21 0.00 0.00 52.86 53.55 2k3j s ASN 52 Cb 0.00 -0.84 -0.04 0.00 -0.55 0.00 0.00 41.25 39.82 2k3j s ASN 52 CO 0.00 -2.47 0.14 -0.63 -2.79 0.00 0.00 177.10 171.35 2k3j s ILE 53 N -3.66 5.49 -1.18 -5.21 1.01 -1.26 -0.54 121.20 115.85 2k3j s ILE 53 Ca 0.68 0.21 -0.21 0.00 0.00 0.00 0.00 60.65 61.34 2k3j s ILE 53 Cb -0.08 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2k3j s ILE 53 CO 0.52 0.60 1.90 -3.20 0.00 0.00 0.00 174.94 174.75 2k3j n ASN 54 N 2.16 3.53 0.00 3.58 5.15 0.25 -4.82 115.26 125.11 2k3j n ASN 54 Ca -0.19 -2.76 0.06 0.00 -0.60 0.00 0.00 54.58 51.08 2k3j n ASN 54 Cb 0.55 -1.65 0.33 0.00 -0.53 0.00 0.00 39.78 38.47 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 11.48 0.00 1.07 1.20 5.03 -1.26 -2.50 117.44 132.47 2k3j n TRP 55 Ca 0.47 0.00 0.12 0.00 3.03 0.00 0.00 57.50 61.12 2k3j n TRP 55 Cb 0.45 -0.00 0.16 0.00 -1.03 0.00 0.00 31.31 30.89 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 -1.00 1.08 -4.77 -0.99 2.85 -1.26 -4.06 115.26 107.10 2k3j n ASN 56 Ca 0.08 -0.86 -0.38 0.00 -0.11 0.00 0.00 54.58 53.31 2k3j n ASN 56 Cb 0.04 0.42 -0.01 0.00 1.24 0.00 0.00 39.78 41.47 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 -0.30 0.61 0.12 0.00 -0.04 -1.26 -0.46 135.00 133.67 2k3j n PRO 58 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k3j n PRO 58 Cb 0.47 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.57 -0.12 0.00 5.85 -1.92 -0.87 115.31 118.82 2k3j h LEU 60 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2k3j h LEU 60 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2k3j h LEU 60 CO 0.00 0.20 0.00 1.23 -0.34 0.00 0.00 178.44 179.53 2k3j h GLY 61 N 0.63 0.00 0.65 3.75 0.00 -0.91 -2.51 103.07 104.68 2k3j h GLY 61 Ca 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.62 2k3j h GLY 61 CO -0.40 0.00 -1.06 -1.33 0.00 0.00 0.00 176.54 173.75 2k3j h GLY 62 N 4.05 0.33 1.81 4.60 0.00 -1.33 -3.01 103.07 109.52 2k3j h GLY 62 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 2k3j h GLY 62 CO 0.00 0.73 0.06 1.98 0.00 0.00 0.00 176.54 179.31 2k3j h MET 63 N -0.34 0.24 -0.03 4.80 -1.53 -1.29 -0.81 114.93 115.99 2k3j h MET 63 Ca -0.21 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.03 2k3j h MET 63 Cb 1.70 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.70 2k3j h MET 63 CO 0.12 0.22 0.00 0.00 0.14 0.00 0.00 176.91 177.39 2k3j n ALA 64 N -2.50 2.62 -3.15 0.39 0.00 -0.95 -4.56 120.51 112.36 2k3j n ALA 64 Ca -0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 2k3j n ALA 64 Cb 0.13 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.53 1.27 -0.32 0.00 7.64 -0.31 -4.48 113.62 116.88 2k3j n SER 65 Ca 0.19 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.22 2k3j n SER 65 Cb 0.17 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.30 -1.44 0.16 0.23 0.00 -1.26 -3.31 105.19 100.87 2k3j n GLY 66 Ca 0.07 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 0.44 0.00 1.61 0.13 -1.98 -3.14 132.00 129.06 2k3j h PRO 67 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.67 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 2k3j h GLY 69 N 3.98 1.30 2.00 0.00 0.00 -1.53 -0.75 103.07 108.06 2k3j h GLY 69 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2k3j h GLY 69 CO 0.00 0.23 -0.09 1.05 0.00 0.00 0.00 176.54 177.74 2k3j h GLU 70 N 0.94 0.00 -0.02 4.80 4.11 -1.80 0.07 114.58 122.66 2k3j h GLU 70 Ca 0.38 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.77 2k3j h GLU 70 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k3j h GLU 70 CO -0.19 0.09 -0.14 1.96 0.07 0.00 0.00 179.01 180.80 2k3j h GLN 71 N 0.00 0.14 -0.50 1.06 1.08 -1.45 -2.22 115.11 113.21 2k3j h GLN 71 Ca -0.00 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2k3j h GLN 71 Cb 0.16 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2k3j h GLN 71 CO 0.01 0.78 0.19 0.35 -0.95 0.00 0.00 178.83 179.21 2k3j h PHE 72 N -0.47 0.78 -0.78 2.96 3.57 -1.34 0.11 116.94 121.76 2k3j h PHE 72 Ca -0.01 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.53 2k3j h PHE 72 Cb 0.81 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 2k3j h PHE 72 CO 0.15 0.65 0.42 0.87 -2.23 0.00 0.00 178.31 178.17 2k3j h LYS 73 N 0.67 0.66 -0.05 1.11 1.57 -1.05 -1.25 116.57 118.23 2k3j h LYS 73 Ca 0.17 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2k3j h LYS 73 Cb 0.21 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2k3j h LYS 73 CO -0.01 0.44 -0.43 1.03 -0.57 0.00 0.00 179.45 179.91 2k3j h SER 74 N 0.68 0.46 -0.78 0.86 0.87 -1.04 -0.47 113.55 114.13 2k3j h SER 74 Ca 0.39 -0.70 0.13 0.00 -1.23 0.00 0.00 61.79 60.39 2k3j h SER 74 Cb 0.42 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.15 2k3j h SER 74 CO -0.28 1.08 0.36 0.00 -0.53 0.00 0.00 176.83 177.46 2k3j h ALA 75 N 0.38 1.12 0.06 6.23 0.00 -0.61 0.18 119.26 126.62 2k3j h ALA 75 Ca -0.04 0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2k3j h ALA 75 Cb 1.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2k3j h ALA 75 CO 0.09 -0.13 -1.60 0.35 0.00 0.00 0.00 179.25 177.95 2k3j h PHE 76 N 0.54 0.23 -0.44 0.00 3.57 -1.27 -2.45 116.94 117.12 2k3j h PHE 76 Ca 0.42 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2k3j h PHE 76 Cb 0.58 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2k3j h PHE 76 CO -0.13 1.25 0.10 0.66 -2.23 0.00 0.00 178.31 177.97 2k3j h SER 77 N 0.03 0.67 -0.12 0.41 4.64 -0.92 -1.24 113.55 117.03 2k3j h SER 77 Ca -0.26 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2k3j h SER 77 Cb 1.99 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.89 2k3j h SER 77 CO 0.12 0.73 0.06 0.00 -0.87 0.00 0.00 176.83 176.87 2k3j h PHE 79 N 0.13 0.67 0.32 0.00 3.57 -1.42 -0.84 116.94 119.36 2k3j h PHE 79 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2k3j h PHE 79 Cb 0.01 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2k3j h PHE 79 CO -0.09 0.45 -0.15 1.25 -2.23 0.00 0.00 178.31 177.54 2k3j h HIS 80 N 0.70 -0.39 0.00 0.41 2.76 -0.65 -3.32 115.15 114.65 2k3j h HIS 80 Ca 0.18 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2k3j h HIS 80 Cb -0.01 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 2k3j h HIS 80 CO 0.00 -0.25 -0.04 1.88 -1.30 0.00 0.00 177.93 178.23 2k3j h TYR 81 N -0.66 0.00 0.00 5.26 -1.99 -0.82 -0.75 116.97 118.01 2k3j h TYR 81 Ca -0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 2k3j h TYR 81 Cb 0.33 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 2k3j h TYR 81 CO 0.06 0.04 -0.15 1.03 -0.00 0.00 0.00 178.16 179.14 2k3j h SER 82 N 0.00 0.00 -6.77 3.88 0.87 -1.30 -3.49 113.55 106.75 2k3j h SER 82 Ca -0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 2k3j h SER 82 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k3j h SER 82 CO 0.01 0.15 -1.09 0.35 -0.53 0.00 0.00 176.83 175.71 2k3j n THR 83 N -3.35 -3.30 0.00 2.23 -2.24 -0.29 -5.01 114.28 102.32 2k3j n THR 83 Ca -0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k3j n THR 83 Cb 0.36 -2.89 0.00 0.00 -2.10 0.00 0.00 70.33 65.69 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 -2.82 0.00 0.07 -0.78 -0.58 -1.26 -5.15 120.64 110.12 2k3j n GLU 84 Ca -0.31 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 2k3j n GLU 84 Cb 0.69 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.56 2k3j n GLU 84 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k3j n GLU 85 N 0.00 0.00 -3.39 3.49 1.02 -1.26 -5.13 120.64 115.37 2k3j n GLU 85 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2k3j n GLU 85 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 31.44 31.35 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 -1.47 4.89 -0.91 -3.67 1.01 -1.26 -4.95 121.20 114.84 2k3j s ILE 86 Ca 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 60.65 61.37 2k3j s ILE 86 Cb 0.00 -3.76 -0.25 0.00 0.01 0.00 0.00 42.46 38.46 2k3j s ILE 86 CO 0.00 0.40 2.29 1.17 0.00 0.00 0.00 174.94 178.79 2k3j n LYS 87 N 1.26 0.23 -0.43 2.79 3.00 -1.26 -0.67 118.16 123.08 2k3j n LYS 87 Ca -0.09 -0.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 2k3j n LYS 87 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2k3j n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3j n GLY 88 N 6.04 0.76 0.33 3.14 0.00 -1.26 -5.01 105.19 109.20 2k3j n GLY 88 Ca 0.59 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.21 1.61 4.64 -1.29 -0.70 113.55 117.60 2k3j h SER 89 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2k3j h SER 89 Cb 0.01 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.74 2k3j h SER 89 CO 0.00 0.00 -1.01 -0.67 -0.87 0.00 0.00 176.83 174.28 2k3j n ASP 90 N -2.93 1.55 -0.67 4.97 2.03 -1.26 -4.84 116.55 115.40 2k3j n ASP 90 Ca -0.02 -2.30 -0.00 0.00 0.52 0.00 0.00 54.79 52.99 2k3j n ASP 90 Cb 0.29 -0.39 -0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 6.10 1.19 -0.92 0.00 2.07 -1.82 -2.84 116.25 120.03 2k3j h VAL 92 Ca -0.08 -0.77 0.11 0.00 0.82 0.00 0.00 66.70 66.78 2k3j h VAL 92 Cb 1.32 1.02 -0.13 0.00 -1.52 0.00 0.00 31.29 31.98 2k3j h VAL 92 CO -0.02 0.26 -0.47 -0.67 0.02 0.00 0.00 177.57 176.69 2k3j n ASP 93 N -4.28 -0.82 0.14 0.57 2.03 -1.26 -0.65 116.55 112.28 2k3j n ASP 93 Ca 0.01 1.63 0.00 0.00 0.52 0.00 0.00 54.79 56.95 2k3j n ASP 93 Cb 0.25 -0.28 0.14 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.00 -0.30 -0.67 4.20 -1.87 -0.07 115.11 116.41 2k3j h GLN 94 Ca 0.22 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 2k3j h GLN 94 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2k3j h GLN 94 CO -0.89 0.61 -0.28 0.74 -0.67 0.00 0.00 178.83 178.35 2k3j h PHE 95 N 0.00 0.68 -0.14 2.96 0.04 -1.48 0.13 116.94 119.14 2k3j h PHE 95 Ca -0.01 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2k3j h PHE 95 Cb 1.22 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 2k3j h PHE 95 CO 0.00 0.81 0.03 -0.09 -0.60 0.00 0.00 178.31 178.47 2k3j h ARG 96 N 0.52 0.22 -0.68 1.51 9.65 -0.41 -1.02 114.38 124.16 2k3j h ARG 96 Ca 0.07 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 2k3j h ARG 96 Cb 0.74 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2k3j h ARG 96 CO 0.06 0.38 0.15 0.00 2.80 0.00 0.00 179.97 183.36 2k3j h ALA 97 N 0.83 0.97 0.08 2.80 0.00 -0.94 0.16 119.26 123.17 2k3j h ALA 97 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k3j h ALA 97 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3j h ALA 97 CO 0.00 0.66 -0.04 1.98 0.00 0.00 0.00 179.25 181.85 2k3j h MET 98 N 1.04 -0.11 -0.53 0.00 1.85 -0.70 -0.86 114.93 115.62 2k3j h MET 98 Ca 0.21 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.23 2k3j h MET 98 Cb 0.38 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.42 2k3j h MET 98 CO 0.00 0.03 0.01 1.96 -0.40 0.00 0.00 176.91 178.52 2k3j h GLN 99 N -0.23 0.88 -0.18 0.39 4.20 -0.96 -1.38 115.11 117.84 2k3j h GLN 99 Ca -0.01 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 2k3j h GLN 99 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2k3j h GLN 99 CO 0.02 0.87 -0.35 1.05 -0.67 0.00 0.00 178.83 179.75 2k3j h GLU 100 N 0.82 0.38 -0.47 1.46 -0.00 -0.63 -2.28 114.58 113.86 2k3j h GLU 100 Ca 0.16 -0.17 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 2k3j h GLU 100 Cb 0.47 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.19 2k3j h GLU 100 CO 0.02 0.68 -0.06 0.00 -0.00 0.00 0.00 179.01 179.65 2k3j h MET 102 N 0.75 0.00 0.00 0.00 2.86 -0.92 -2.76 114.93 114.85 2k3j h MET 102 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2k3j h MET 102 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k3j h MET 102 CO 0.03 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.50 2k3j n GLN 103 N -3.41 0.23 0.07 1.72 10.64 -0.89 -3.27 117.38 122.48 2k3j n GLN 103 Ca 0.01 0.28 -0.03 0.00 -1.83 0.00 0.00 57.00 55.43 2k3j n GLN 103 Cb 0.64 -1.82 -0.07 0.00 -0.86 0.00 0.00 30.24 28.14 2k3j n GLN 103 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2k3j h LYS 104 N 0.00 0.00 -3.67 2.61 1.79 -1.40 -3.46 116.57 112.44 2k3j h LYS 104 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2k3j h LYS 104 Cb 0.60 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.85 2k3j h LYS 104 CO 0.00 0.64 -0.77 0.71 -1.08 0.00 0.00 179.45 178.95 2k3j s TYR 105 N -2.82 1.43 -0.12 -1.35 2.02 -1.11 -5.05 117.35 110.35 2k3j s TYR 105 Ca 0.01 -1.25 -0.04 0.00 -0.37 0.00 0.00 57.07 55.41 2k3j s TYR 105 Cb 0.09 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2k3j s TYR 105 CO 0.79 -0.72 -0.09 -1.00 -1.57 0.00 0.00 175.55 172.97 2k3j h PRO 106 N 8.16 0.00 0.00 -1.71 0.13 -1.90 -3.45 132.00 133.22 2k3j h PRO 106 Ca -0.16 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 2k3j h PRO 106 Cb 1.08 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.11 2k3j h PRO 106 CO 0.39 0.00 -0.21 -3.47 -0.23 0.00 0.00 178.00 174.47 2k3j n ASP 107 N -4.60 -0.74 0.03 1.44 -0.08 -1.26 -4.98 116.55 106.35 2k3j n ASP 107 Ca -0.03 -1.59 0.07 0.00 -1.51 0.00 0.00 54.79 51.72 2k3j n ASP 107 Cb 0.13 0.22 0.30 0.00 2.34 0.00 0.00 41.12 44.11 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 0.14 -0.20 -2.67 -0.00 -1.26 -5.29 117.00 107.73 2k3j n LEU 108 Ca -0.21 0.54 0.15 0.00 -0.00 0.00 0.00 56.01 56.49 2k3j n LEU 108 Cb 0.61 -0.53 0.77 0.00 -0.00 0.00 0.00 43.42 44.27 2k3j n LEU 108 CO -0.10 -0.38 1.01 0.00 -0.00 0.00 0.00 177.39 177.92