#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k s GLU 2 N 0.00 1.70 0.20 2.12 -1.05 -1.26 -4.92 118.70 115.49 2k3k s GLU 2 Ca 0.00 1.15 -0.32 0.00 -0.15 0.00 0.00 54.97 55.65 2k3k s GLU 2 Cb 0.00 -1.83 -0.12 0.00 -0.44 0.00 0.00 34.13 31.74 2k3k s GLU 2 CO 0.00 -2.03 1.70 -1.64 0.95 0.00 0.00 175.26 174.24 2k3k s MET 3 N -4.85 4.14 0.17 -4.83 -1.94 -1.26 -4.90 119.30 105.83 2k3k s MET 3 Ca 0.63 2.57 -0.30 0.00 -1.71 0.00 0.00 55.69 56.88 2k3k s MET 3 Cb -0.19 -3.08 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 2k3k s MET 3 CO 0.57 -0.73 1.35 -0.51 -0.01 0.00 0.00 175.02 175.69 2k3k s LEU 4 N 1.16 4.40 0.08 -0.03 1.02 -1.26 -4.94 118.68 119.10 2k3k s LEU 4 Ca 0.74 2.40 -0.33 0.00 0.02 0.00 0.00 54.13 56.96 2k3k s LEU 4 Cb -0.49 -3.60 -0.12 0.00 0.02 0.00 0.00 46.19 42.00 2k3k s LEU 4 CO 0.32 -0.59 1.76 -2.65 0.02 0.00 0.00 176.35 175.22 2k3k n PRO 5 N 3.05 2.41 -3.55 1.29 -0.02 -1.26 -4.81 135.00 132.11 2k3k n PRO 5 Ca 0.08 0.88 -0.17 0.00 -2.02 0.00 0.00 63.50 62.27 2k3k n PRO 5 Cb 0.42 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 2k3k n PRO 5 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2k3k s ASN 6 N 2.48 -0.66 0.00 2.55 2.47 -1.26 -4.98 114.94 115.53 2k3k s ASN 6 Ca 0.84 0.88 0.00 0.00 0.42 0.00 0.00 52.86 55.00 2k3k s ASN 6 Cb -0.60 0.75 0.00 0.00 -1.45 0.00 0.00 41.25 39.95 2k3k s ASN 6 CO 0.41 -0.51 0.49 0.00 -3.72 0.00 0.00 177.10 173.78 2k3k n GLN 7 N 1.34 0.57 -4.06 0.43 10.64 -1.26 -4.52 117.38 120.53 2k3k n GLN 7 Ca -0.17 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.87 2k3k n GLN 7 Cb 0.57 -1.09 -0.13 0.00 -0.86 0.00 0.00 30.24 28.73 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2k3k s THR 8 N -1.70 0.38 0.19 -0.39 2.01 -1.26 -0.68 115.64 114.19 2k3k s THR 8 Ca 0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2k3k s THR 8 Cb 0.00 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2k3k s THR 8 CO 0.00 -0.21 0.05 0.27 -0.69 0.00 0.00 174.62 174.04 2k3k s ILE 9 N -0.87 0.46 -0.15 1.82 -4.36 -0.46 -1.36 121.20 116.29 2k3k s ILE 9 Ca -0.06 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.35 2k3k s ILE 9 Cb -0.07 -2.28 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2k3k s ILE 9 CO -0.00 -0.30 -0.06 -0.47 0.24 0.00 0.00 174.94 174.36 2k3k s TYR 10 N -3.81 1.59 -0.19 1.37 5.04 0.22 -1.91 117.35 119.66 2k3k s TYR 10 Ca 0.29 -0.94 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 2k3k s TYR 10 Cb 0.07 -1.27 -0.05 0.00 0.35 0.00 0.00 41.96 41.06 2k3k s TYR 10 CO 0.07 -0.57 0.25 0.42 -1.34 0.00 0.00 175.55 174.37 2k3k s ILE 11 N 1.67 5.32 -0.01 3.14 1.01 0.11 -1.07 121.20 131.37 2k3k s ILE 11 Ca 0.02 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2k3k s ILE 11 Cb -0.14 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2k3k s ILE 11 CO -0.08 0.37 0.80 -3.20 0.00 0.00 0.00 174.94 172.83 2k3k n ASN 12 N 3.87 0.89 -2.72 3.58 2.85 0.22 -0.99 115.26 122.97 2k3k n ASN 12 Ca -0.13 -1.68 -0.10 0.00 -0.11 0.00 0.00 54.58 52.56 2k3k n ASN 12 Cb 0.52 -0.07 0.02 0.00 1.24 0.00 0.00 39.78 41.49 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k3k n ASN 13 N -0.31 1.41 -4.78 1.20 5.15 -1.23 -4.83 115.26 111.87 2k3k n ASN 13 Ca 0.02 -2.75 -0.32 0.00 -0.60 0.00 0.00 54.58 50.92 2k3k n ASN 13 Cb 0.46 -0.54 0.06 0.00 -0.53 0.00 0.00 39.78 39.23 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2k3k s LEU 14 N -3.05 3.24 -0.41 1.20 0.20 -0.52 -4.53 118.68 114.82 2k3k s LEU 14 Ca 0.29 1.85 -0.21 0.00 0.69 0.00 0.00 54.13 56.75 2k3k s LEU 14 Cb 0.45 -4.53 0.02 0.00 -0.43 0.00 0.00 46.19 41.69 2k3k s LEU 14 CO 0.02 -1.68 0.68 0.21 -0.29 0.00 0.00 176.35 175.29 2k3k s ASN 15 N -3.08 6.38 0.54 3.68 3.84 -1.26 -4.75 114.94 120.29 2k3k s ASN 15 Ca 0.63 -0.12 0.28 0.00 0.21 0.00 0.00 52.86 53.86 2k3k s ASN 15 Cb -0.18 -2.34 1.44 0.00 -0.55 0.00 0.00 41.25 39.63 2k3k s ASN 15 CO 0.48 -0.75 1.96 -0.33 -2.79 0.00 0.00 177.10 175.67 2k3k h GLU 16 N 8.76 0.00 0.00 0.43 5.08 -1.90 -2.36 114.58 124.60 2k3k h GLU 16 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2k3k h GLU 16 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k3k h GLU 16 CO 0.89 0.00 -0.13 1.57 -1.00 0.00 0.00 179.01 180.34 2k3k h LYS 17 N 0.00 0.00 -6.57 2.33 2.10 -1.92 -3.44 116.57 109.07 2k3k h LYS 17 Ca 0.29 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.41 2k3k h LYS 17 Cb 1.21 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.57 2k3k h LYS 17 CO -0.00 0.13 0.79 0.42 -2.00 0.00 0.00 179.45 178.79 2k3k s ILE 18 N -4.17 3.04 0.65 0.07 -1.09 -0.89 -4.98 121.20 113.83 2k3k s ILE 18 Ca -0.03 0.74 -0.18 0.00 -2.23 0.00 0.00 60.65 58.96 2k3k s ILE 18 Cb 0.13 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2k3k s ILE 18 CO 0.59 0.06 1.27 -0.54 -1.23 0.00 0.00 174.94 175.09 2k3k s LYS 19 N 1.14 2.55 0.42 2.79 -0.14 -1.26 -4.81 119.74 120.43 2k3k s LYS 19 Ca 0.67 1.99 0.10 0.00 -1.36 0.00 0.00 55.97 57.37 2k3k s LYS 19 Cb -0.39 -1.85 0.92 0.00 -1.68 0.00 0.00 37.83 34.82 2k3k s LYS 19 CO 0.31 -1.58 2.01 0.87 -0.76 0.00 0.00 175.35 176.19 2k3k h LYS 20 N 0.47 0.26 -0.39 1.68 6.56 -1.93 0.81 116.57 124.04 2k3k h LYS 20 Ca -0.50 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.01 2k3k h LYS 20 Cb 1.33 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.92 2k3k h LYS 20 CO 0.53 0.28 0.10 1.49 -2.06 0.00 0.00 179.45 179.80 2k3k h GLU 21 N 0.26 0.61 -0.59 3.15 4.81 -1.97 -0.46 114.58 120.39 2k3k h GLU 21 Ca 0.06 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 2k3k h GLU 21 Cb 0.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k3k h GLU 21 CO 0.00 0.63 -0.03 0.93 -0.73 0.00 0.00 179.01 179.82 2k3k h GLU 22 N 0.48 1.07 -0.07 1.92 5.08 -1.64 -1.02 114.58 120.39 2k3k h GLU 22 Ca 0.12 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2k3k h GLU 22 Cb 0.29 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2k3k h GLU 22 CO -0.00 1.06 -0.09 1.25 -1.00 0.00 0.00 179.01 180.23 2k3k h LEU 23 N 0.96 -0.27 -0.07 1.33 7.12 -0.80 0.12 115.31 123.70 2k3k h LEU 23 Ca 0.16 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.24 2k3k h LEU 23 Cb 0.59 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 2k3k h LEU 23 CO 0.04 -0.12 -0.02 0.11 -0.13 0.00 0.00 178.44 178.31 2k3k h LYS 24 N -0.12 -0.01 -0.46 1.25 1.57 -0.82 -0.86 116.57 117.12 2k3k h LYS 24 Ca 0.06 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2k3k h LYS 24 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2k3k h LYS 24 CO -0.14 -0.01 0.26 -0.22 -0.57 0.00 0.00 179.45 178.78 2k3k h LYS 25 N -0.01 0.51 -0.31 3.15 1.63 -1.01 -1.66 116.57 118.88 2k3k h LYS 25 Ca 0.03 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2k3k h LYS 25 Cb 0.06 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2k3k h LYS 25 CO -0.07 0.34 0.09 0.77 -3.45 0.00 0.00 179.45 177.13 2k3k h SER 26 N 0.53 0.46 -0.01 4.20 0.02 -0.36 0.63 113.55 119.02 2k3k h SER 26 Ca 0.19 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3k h SER 26 Cb 0.04 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2k3k h SER 26 CO -0.10 0.55 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.01 2k3k h LEU 27 N 0.35 -0.19 -1.72 5.07 3.38 -1.04 -0.56 115.31 120.60 2k3k h LEU 27 Ca 0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k3k h LEU 27 Cb 0.26 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k3k h LEU 27 CO -0.00 -0.09 -0.15 0.22 0.09 0.00 0.00 178.44 178.51 2k3k h TYR 28 N -0.11 0.00 0.01 1.13 3.20 -1.03 -1.15 116.97 119.02 2k3k h TYR 28 Ca 0.03 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 2k3k h TYR 28 Cb 0.15 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2k3k h TYR 28 CO -0.14 0.15 -0.56 0.00 -1.64 0.00 0.00 178.16 175.96 2k3k h ALA 29 N 1.85 0.05 0.00 1.82 0.00 -0.21 -3.39 119.26 119.39 2k3k h ALA 29 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2k3k h ALA 29 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k3k h ALA 29 CO 0.02 0.31 -1.12 0.44 0.00 0.00 0.00 179.25 178.90 2k3k n ILE 30 N -4.25 0.12 -0.35 0.00 -5.35 -0.28 -4.50 119.36 104.75 2k3k n ILE 30 Ca -0.11 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.30 2k3k n ILE 30 Cb 0.66 -0.73 0.09 0.00 -1.74 0.00 0.00 39.64 37.92 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2k3k h PHE 31 N -0.01 1.22 0.00 4.28 -1.00 -1.36 -1.69 116.94 118.38 2k3k h PHE 31 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2k3k h PHE 31 Cb 1.07 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2k3k h PHE 31 CO 0.00 0.80 0.00 0.77 -1.61 0.00 0.00 178.31 178.27 2k3k h SER 32 N 1.28 0.00 0.96 2.17 0.02 -1.51 0.34 113.55 116.81 2k3k h SER 32 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2k3k h SER 32 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k3k h SER 32 CO -0.06 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.19 2k3k h GLN 33 N 0.00 0.00 0.00 3.45 1.08 -1.53 -3.27 115.11 114.84 2k3k h GLN 33 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k3k h GLN 33 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2k3k h GLN 33 CO 0.00 0.00 -0.71 1.19 -0.95 0.00 0.00 178.83 178.36 2k3k n PHE 34 N -2.66 0.00 -3.15 2.96 3.72 -0.15 -4.97 117.46 113.22 2k3k n PHE 34 Ca 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.46 2k3k n PHE 34 Cb 0.29 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2k3k n PHE 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k3k s GLY 35 N -1.43 -0.96 -0.33 1.37 0.00 -0.07 -3.88 107.32 102.01 2k3k s GLY 35 Ca 0.00 1.81 -0.38 0.00 0.00 0.00 0.00 44.72 46.15 2k3k s GLY 35 CO 0.00 3.57 1.99 -0.18 0.00 0.00 0.00 173.10 178.48 2k3k n GLN 36 N 5.41 1.04 -1.82 2.90 -0.06 -1.23 -3.44 117.38 120.18 2k3k n GLN 36 Ca 0.00 0.34 -0.38 0.00 -2.00 0.00 0.00 57.00 54.95 2k3k n GLN 36 Cb 0.53 -2.22 0.03 0.00 -4.06 0.00 0.00 30.24 24.52 2k3k n GLN 36 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2k3k s ILE 37 N 5.48 2.14 0.00 1.69 -1.09 -1.26 -2.84 121.20 125.32 2k3k s ILE 37 Ca 1.05 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 2k3k s ILE 37 Cb -1.01 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 2k3k s ILE 37 CO 0.58 0.00 0.00 -0.11 -1.23 0.00 0.00 174.94 174.18 2k3k n LEU 38 N -0.87 1.72 -3.73 2.97 7.94 0.90 -4.75 117.00 121.19 2k3k n LEU 38 Ca 0.09 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.90 2k3k n LEU 38 Cb 0.45 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 2k3k n LEU 38 CO 0.53 0.29 0.20 -0.62 -1.11 0.00 0.00 177.39 176.68 2k3k s ASP 39 N -3.54 -0.22 -0.05 1.96 2.15 -0.62 -4.96 116.67 111.40 2k3k s ASP 39 Ca 0.00 -0.48 -0.04 0.00 0.43 0.00 0.00 52.55 52.46 2k3k s ASP 39 Cb 0.00 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2k3k s ASP 39 CO 0.00 -0.97 0.12 -0.63 -0.17 0.00 0.00 175.17 173.52 2k3k s ILE 40 N -3.86 -0.01 -0.30 4.11 1.01 -1.26 -0.68 121.20 120.20 2k3k s ILE 40 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2k3k s ILE 40 Cb 0.00 -0.18 0.11 0.00 0.01 0.00 0.00 42.46 42.40 2k3k s ILE 40 CO -0.05 0.01 0.17 -0.69 0.00 0.00 0.00 174.94 174.38 2k3k s VAL 41 N 0.21 -0.06 0.02 2.92 1.01 0.38 -5.00 120.40 119.87 2k3k s VAL 41 Ca -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2k3k s VAL 41 Cb -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2k3k s VAL 41 CO -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 175.10 174.33 2k3k s ALA 42 N 1.89 0.06 0.14 5.51 0.00 -1.26 -1.15 121.76 126.95 2k3k s ALA 42 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 2k3k s ALA 42 Cb -0.17 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2k3k s ALA 42 CO -0.28 -0.15 0.21 -0.51 0.00 0.00 0.00 175.76 175.04 2k3k s LEU 43 N -1.33 1.25 0.50 0.00 1.43 -0.49 -4.98 118.68 115.06 2k3k s LEU 43 Ca -0.14 -0.90 0.29 0.00 -1.03 0.00 0.00 54.13 52.34 2k3k s LEU 43 Cb -0.09 0.97 1.15 0.00 0.03 0.00 0.00 46.19 48.25 2k3k s LEU 43 CO -0.01 -0.82 1.91 0.11 0.23 0.00 0.00 176.35 177.77 2k3k h LYS 44 N 2.66 0.00 -6.85 1.70 1.57 -1.96 -3.16 116.57 110.52 2k3k h LYS 44 Ca -0.33 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.92 2k3k h LYS 44 Cb 1.21 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.61 2k3k h LYS 44 CO 0.52 0.12 0.84 0.95 -0.57 0.00 0.00 179.45 181.31 2k3k s THR 45 N -3.69 2.09 0.26 -0.16 -4.23 -1.26 -4.76 115.64 103.89 2k3k s THR 45 Ca 0.01 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2k3k s THR 45 Cb 0.10 -3.05 0.24 0.00 1.34 0.00 0.00 72.50 71.13 2k3k s THR 45 CO 0.59 0.02 1.73 0.25 -0.54 0.00 0.00 174.62 176.67 2k3k h LEU 46 N 4.17 0.38 -0.12 4.79 5.85 -1.99 -0.55 115.31 127.83 2k3k h LEU 46 Ca -0.48 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k3k h LEU 46 Cb 1.23 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2k3k h LEU 46 CO 0.74 0.12 0.00 2.29 -0.34 0.00 0.00 178.44 181.25 2k3k n LYS 47 N -4.96 0.01 -0.32 1.25 2.85 -1.26 -1.95 118.16 113.78 2k3k n LYS 47 Ca 0.17 0.46 0.02 0.00 -1.05 0.00 0.00 58.31 57.90 2k3k n LYS 47 Cb 0.47 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.33 2k3k n LYS 47 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2k3k n MET 48 N -1.57 0.33 -0.00 -1.58 2.81 -0.27 -4.79 117.12 112.04 2k3k n MET 48 Ca 0.01 -1.17 -0.14 0.00 -1.81 0.00 0.00 57.70 54.58 2k3k n MET 48 Cb 0.04 -0.68 -0.14 0.00 -0.71 0.00 0.00 33.22 31.74 2k3k n MET 48 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k3k h ARG 49 N 0.00 0.12 0.00 0.03 2.43 -0.77 -1.30 114.38 114.89 2k3k h ARG 49 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2k3k h ARG 49 Cb 1.23 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2k3k h ARG 49 CO 0.00 0.82 -0.05 0.41 -1.51 0.00 0.00 179.97 179.64 2k3k n GLY 50 N 1.73 3.15 3.31 2.80 0.00 -1.26 -4.30 105.19 110.61 2k3k n GLY 50 Ca -0.22 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 2k3k n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k3k s GLN 51 N -1.68 0.97 0.08 1.61 0.00 -1.26 -1.43 119.66 117.94 2k3k s GLN 51 Ca 0.15 -0.56 -0.18 0.00 -0.00 0.00 0.00 55.36 54.76 2k3k s GLN 51 Cb 0.13 0.43 0.04 0.00 0.00 0.00 0.00 33.01 33.60 2k3k s GLN 51 CO 0.01 -0.35 0.43 0.00 0.00 0.00 0.00 175.29 175.39 2k3k s ALA 52 N -3.14 -1.05 -0.05 2.60 0.00 -0.16 -4.54 121.76 115.42 2k3k s ALA 52 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2k3k s ALA 52 Cb 0.01 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2k3k s ALA 52 CO -0.07 -0.55 -0.14 -0.06 0.00 0.00 0.00 175.76 174.93 2k3k s PHE 53 N -3.05 2.71 0.01 0.00 0.08 -0.30 -0.71 117.98 116.71 2k3k s PHE 53 Ca -0.02 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2k3k s PHE 53 Cb 0.00 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2k3k s PHE 53 CO -0.07 0.16 -0.04 0.14 -0.10 0.00 0.00 175.22 175.31 2k3k s VAL 54 N -0.66 0.31 0.08 -0.44 -7.23 -0.80 -0.47 120.40 111.19 2k3k s VAL 54 Ca 0.10 -0.43 0.10 0.00 -1.81 0.00 0.00 61.98 59.93 2k3k s VAL 54 Cb -0.11 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 2k3k s VAL 54 CO 0.01 -0.09 -0.26 -0.63 -0.31 0.00 0.00 175.10 173.82 2k3k s ILE 55 N -0.52 2.25 0.27 -0.62 1.09 0.15 -1.35 121.20 122.47 2k3k s ILE 55 Ca -0.03 -1.53 0.04 0.00 -1.10 0.00 0.00 60.65 58.03 2k3k s ILE 55 Cb -0.04 -1.93 -0.06 0.00 -1.06 0.00 0.00 42.46 39.37 2k3k s ILE 55 CO -0.00 0.25 0.03 -0.36 -0.10 0.00 0.00 174.94 174.75 2k3k s PHE 56 N -0.92 1.74 0.35 3.97 0.40 0.14 -0.07 117.98 123.59 2k3k s PHE 56 Ca 0.13 -0.95 0.06 0.00 -0.60 0.00 0.00 56.93 55.58 2k3k s PHE 56 Cb -0.10 -1.06 0.66 0.00 0.51 0.00 0.00 43.02 43.03 2k3k s PHE 56 CO 0.04 -0.03 1.87 1.57 0.70 0.00 0.00 175.22 179.37 2k3k h LYS 57 N 2.32 0.39 -3.53 0.44 2.10 -1.82 -3.43 116.57 113.04 2k3k h LYS 57 Ca -0.39 -0.09 -0.08 0.00 -2.00 0.00 0.00 60.65 58.08 2k3k h LYS 57 Cb 1.23 -0.05 -0.15 0.00 -0.90 0.00 0.00 32.23 32.36 2k3k h LYS 57 CO 0.66 0.49 -0.27 -1.21 -2.00 0.00 0.00 179.45 177.12 2k3k s GLU 58 N -4.80 0.87 0.33 0.07 2.02 -1.26 -5.05 118.70 110.87 2k3k s GLU 58 Ca -0.07 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.23 2k3k s GLU 58 Cb 0.15 0.37 0.58 0.00 0.10 0.00 0.00 34.13 35.33 2k3k s GLU 58 CO 0.75 -0.29 1.89 -0.84 0.02 0.00 0.00 175.26 176.80 2k3k h ILE 59 N 2.89 1.19 -0.32 -1.63 3.07 -1.90 -1.24 117.51 119.58 2k3k h ILE 59 Ca -0.33 -0.69 -0.12 0.00 1.55 0.00 0.00 64.86 65.27 2k3k h ILE 59 Cb 1.21 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.53 2k3k h ILE 59 CO 0.50 0.25 -0.25 1.23 -1.05 0.00 0.00 178.15 178.83 2k3k h GLY 60 N 0.84 0.80 0.94 0.16 0.00 -1.95 -1.40 103.07 102.48 2k3k h GLY 60 Ca 0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2k3k h GLY 60 CO -0.00 0.71 0.17 1.76 0.00 0.00 0.00 176.54 179.17 2k3k h SER 61 N 0.50 0.53 0.07 0.19 0.02 -1.80 -0.17 113.55 112.90 2k3k h SER 61 Ca 0.06 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2k3k h SER 61 Cb 0.81 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k3k h SER 61 CO 0.07 0.54 -0.03 0.00 -1.14 0.00 0.00 176.83 176.27 2k3k h ALA 62 N 1.01 -0.09 -0.51 3.77 0.00 -1.15 0.19 119.26 122.48 2k3k h ALA 62 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2k3k h ALA 62 Cb 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k3k h ALA 62 CO -0.01 -0.52 -0.09 0.66 0.00 0.00 0.00 179.25 179.29 2k3k h SER 63 N -0.16 0.93 -0.47 0.00 4.64 -1.21 -0.65 113.55 116.63 2k3k h SER 63 Ca -0.01 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2k3k h SER 63 Cb 0.13 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2k3k h SER 63 CO 0.02 1.03 0.03 -1.13 -0.87 0.00 0.00 176.83 175.91 2k3k h ASN 64 N 0.84 0.78 0.14 4.97 -1.24 -0.90 0.11 115.58 120.29 2k3k h ASN 64 Ca 0.14 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.87 2k3k h ASN 64 Cb 0.62 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 2k3k h ASN 64 CO 0.04 0.87 -0.20 0.00 -1.29 0.00 0.00 177.43 176.85 2k3k h ALA 65 N 0.93 -0.37 0.20 1.57 0.00 -0.80 -0.75 119.26 120.05 2k3k h ALA 65 Ca 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3k h ALA 65 Cb 0.45 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2k3k h ALA 65 CO 0.02 -0.74 -0.51 1.25 0.00 0.00 0.00 179.25 179.27 2k3k h LEU 66 N -0.40 -1.49 -1.00 0.00 6.46 -0.98 -0.21 115.31 117.69 2k3k h LEU 66 Ca 0.02 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 2k3k h LEU 66 Cb 0.41 0.54 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 2k3k h LEU 66 CO -0.09 -0.57 0.11 0.03 -0.62 0.00 0.00 178.44 177.30 2k3k h ARG 67 N -0.79 0.83 -0.38 1.25 3.08 -0.89 0.13 114.38 117.61 2k3k h ARG 67 Ca -0.01 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 2k3k h ARG 67 Cb 0.77 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2k3k h ARG 67 CO -0.23 0.76 -0.24 1.15 -1.07 0.00 0.00 179.97 180.34 2k3k h THR 68 N 0.80 1.28 -0.00 2.04 2.02 -0.90 -3.25 112.91 114.90 2k3k h THR 68 Ca 0.17 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2k3k h THR 68 Cb 0.32 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2k3k h THR 68 CO 0.00 0.46 -0.41 0.23 0.37 0.00 0.00 175.52 176.17 2k3k n MET 69 N -4.21 0.18 -1.68 6.66 2.81 -0.11 -4.72 117.12 116.04 2k3k n MET 69 Ca -0.02 -0.10 -0.46 0.00 -1.81 0.00 0.00 57.70 55.31 2k3k n MET 69 Cb 0.45 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 2k3k n MET 69 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2k3k n GLN 70 N -1.33 2.35 -0.89 0.03 -0.06 0.41 -1.14 117.38 116.76 2k3k n GLN 70 Ca 0.07 0.86 0.00 0.00 -2.00 0.00 0.00 57.00 55.93 2k3k n GLN 70 Cb 0.34 -2.72 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k3k n GLY 71 N 4.30 0.85 3.75 1.69 0.00 -0.12 -4.95 105.19 110.71 2k3k n GLY 71 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2k3k n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3k s PHE 72 N -3.44 3.09 -1.29 1.61 5.36 -0.29 -4.21 117.98 118.82 2k3k s PHE 72 Ca 0.00 1.24 -0.17 0.00 -0.96 0.00 0.00 56.93 57.04 2k3k s PHE 72 Cb 0.00 -3.70 0.01 0.00 -0.34 0.00 0.00 43.02 38.98 2k3k s PHE 72 CO 0.00 -2.12 2.02 -0.35 -1.46 0.00 0.00 175.22 173.32 2k3k n PRO 73 N 1.73 2.64 0.00 10.12 -0.04 -1.26 -0.78 135.00 147.41 2k3k n PRO 73 Ca 0.04 -2.66 -0.12 0.00 -0.04 0.00 0.00 63.50 60.72 2k3k n PRO 73 Cb 0.41 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 2k3k n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k3k h PHE 74 N 7.02 0.10 -1.37 0.54 3.57 -1.84 -3.40 116.94 121.56 2k3k h PHE 74 Ca 0.49 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.71 2k3k h PHE 74 Cb 0.73 -0.03 -0.22 0.00 2.79 0.00 0.00 35.95 39.22 2k3k h PHE 74 CO 1.40 0.17 -0.62 0.71 -2.23 0.00 0.00 178.31 177.73 2k3k s TYR 75 N -5.77 -0.89 -1.35 0.41 2.02 -1.26 -4.94 117.35 105.56 2k3k s TYR 75 Ca -0.14 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 2k3k s TYR 75 Cb 0.06 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.61 2k3k s TYR 75 CO 0.68 -1.16 0.00 -3.47 -1.57 0.00 0.00 175.55 170.03 2k3k n ASP 76 N 2.93 -4.44 -3.72 2.29 2.03 -1.26 -4.68 116.55 109.69 2k3k n ASP 76 Ca 0.21 0.17 -0.12 0.00 0.52 0.00 0.00 54.79 55.58 2k3k n ASP 76 Cb 0.54 -3.80 -0.11 0.00 -0.72 0.00 0.00 41.12 37.02 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3k s LYS 77 N -4.70 0.35 -0.07 -0.67 1.02 -1.26 -5.08 119.74 109.33 2k3k s LYS 77 Ca 0.00 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.30 2k3k s LYS 77 Cb 0.00 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 2k3k s LYS 77 CO 0.00 -0.12 1.38 -1.25 -0.92 0.00 0.00 175.35 174.44 2k3k s PRO 78 N 0.94 4.26 0.61 -1.68 0.04 -1.26 -2.52 135.00 135.39 2k3k s PRO 78 Ca -0.06 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 2k3k s PRO 78 Cb -0.07 -3.71 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2k3k s PRO 78 CO -0.07 -0.65 1.30 -1.64 0.04 0.00 0.00 177.00 175.98 2k3k s MET 79 N 3.01 2.76 -0.07 4.56 -1.94 0.04 -4.82 119.30 122.84 2k3k s MET 79 Ca 0.62 2.08 0.01 0.00 -1.71 0.00 0.00 55.69 56.70 2k3k s MET 79 Cb -0.28 -1.97 0.02 0.00 2.01 0.00 0.00 34.83 34.61 2k3k s MET 79 CO 0.23 -1.44 -0.10 -0.65 -0.01 0.00 0.00 175.02 173.05 2k3k s GLN 80 N -3.24 1.46 0.03 2.03 -0.21 -1.26 -0.95 119.66 117.53 2k3k s GLN 80 Ca 0.79 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.87 2k3k s GLN 80 Cb -0.38 -1.31 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 2k3k s GLN 80 CO 0.41 -0.05 -0.05 0.42 -2.12 0.00 0.00 175.29 173.90 2k3k s ILE 81 N 0.92 0.27 0.07 1.08 1.01 -1.26 -0.61 121.20 122.68 2k3k s ILE 81 Ca -0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 2k3k s ILE 81 Cb -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2k3k s ILE 81 CO 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 174.94 174.43 2k3k s ALA 82 N -1.79 0.48 0.73 9.38 0.00 -0.23 -5.00 121.76 125.32 2k3k s ALA 82 Ca -0.11 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 2k3k s ALA 82 Cb -0.07 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2k3k s ALA 82 CO -0.02 -0.42 1.11 1.52 0.00 0.00 0.00 175.76 177.95 2k3k s TYR 83 N -3.94 3.23 -0.10 0.00 1.13 -1.26 -0.61 117.35 115.80 2k3k s TYR 83 Ca 0.10 1.03 -0.03 0.00 -1.41 0.00 0.00 57.07 56.76 2k3k s TYR 83 Cb 0.07 -3.12 0.04 0.00 -1.10 0.00 0.00 41.96 37.85 2k3k s TYR 83 CO -0.07 -1.31 0.05 -1.12 -2.51 0.00 0.00 175.55 170.58 2k3k s SER 84 N -4.33 1.74 0.48 -0.18 0.01 -0.46 -4.61 113.70 106.34 2k3k s SER 84 Ca 0.59 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.39 2k3k s SER 84 Cb -0.11 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.75 2k3k s SER 84 CO 0.52 -0.27 1.28 -0.54 0.41 0.00 0.00 173.24 174.64 2k3k s LYS 85 N 2.08 3.58 0.52 12.44 -0.14 -1.26 -4.11 119.74 132.85 2k3k s LYS 85 Ca 0.04 2.06 0.34 0.00 -1.36 0.00 0.00 55.97 57.05 2k3k s LYS 85 Cb -0.14 -2.45 1.52 0.00 -1.68 0.00 0.00 37.83 35.08 2k3k s LYS 85 CO -0.06 -0.78 2.01 0.77 -0.76 0.00 0.00 175.35 176.53 2k3k h SER 86 N 2.00 0.00 0.00 2.83 0.02 -1.98 -3.29 113.55 113.13 2k3k h SER 86 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2k3k h SER 86 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k3k h SER 86 CO 0.60 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.62 2k3k n ASP 87 N -2.92 0.00 0.22 3.07 2.03 -1.26 -4.87 116.55 112.82 2k3k n ASP 87 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2k3k n ASP 87 Cb 0.23 0.00 0.64 0.00 -0.72 0.00 0.00 41.12 41.27 2k3k n ASP 87 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k3k h SER 88 N 0.00 0.02 -0.14 1.67 0.02 -1.99 -1.64 113.55 111.49 2k3k h SER 88 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2k3k h SER 88 Cb 0.00 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2k3k h SER 88 CO 0.00 0.01 -0.08 -0.78 -1.14 0.00 0.00 176.83 174.84 2k3k h ASP 89 N 0.02 0.32 0.24 3.07 3.58 -1.90 0.02 116.42 121.78 2k3k h ASP 89 Ca 0.03 -0.43 -0.13 0.00 0.42 0.00 0.00 57.03 56.93 2k3k h ASP 89 Cb 0.12 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2k3k h ASP 89 CO -0.00 0.68 -0.49 0.16 -2.88 0.00 0.00 179.24 176.72 2k3k h ILE 90 N -0.03 1.34 -0.31 2.25 3.07 -1.71 0.09 117.51 122.21 2k3k h ILE 90 Ca 0.03 -1.71 -0.01 0.00 1.55 0.00 0.00 64.86 64.73 2k3k h ILE 90 Cb 0.57 1.79 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 2k3k h ILE 90 CO 0.02 0.51 0.16 0.58 -1.05 0.00 0.00 178.15 178.37 2k3k h VAL 91 N 0.23 1.14 -0.21 0.16 2.07 -1.25 -1.44 116.25 116.95 2k3k h VAL 91 Ca 0.01 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2k3k h VAL 91 Cb 0.94 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2k3k h VAL 91 CO 0.08 0.14 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 2k3k h ALA 92 N 1.02 1.54 0.39 1.67 0.00 -0.50 -0.33 119.26 123.06 2k3k h ALA 92 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k3k h ALA 92 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k3k h ALA 92 CO -0.02 0.33 -0.19 0.87 0.00 0.00 0.00 179.25 180.25 2k3k h LYS 93 N 0.31 -0.50 -0.03 0.00 1.57 -0.57 -1.00 116.57 116.35 2k3k h LYS 93 Ca 0.07 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2k3k h LYS 93 Cb 0.28 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2k3k h LYS 93 CO 0.01 -0.25 -0.36 -0.84 -0.57 0.00 0.00 179.45 177.44 2k3k h ILE 94 N -0.67 1.27 0.00 1.86 3.07 -0.93 -1.63 117.51 120.47 2k3k h ILE 94 Ca -0.05 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 65.09 2k3k h ILE 94 Cb 0.48 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2k3k h ILE 94 CO 0.09 0.37 0.00 0.29 -1.05 0.00 0.00 178.15 177.84 2k3k n LYS 95 N -4.10 0.10 0.00 0.16 4.76 -0.16 -4.92 118.16 113.99 2k3k n LYS 95 Ca -0.02 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2k3k n LYS 95 Cb 0.40 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3k n GLY 96 N 1.06 2.90 0.15 0.72 0.00 -0.49 -4.57 105.19 104.97 2k3k n GLY 96 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k3k n THR 97 N -1.98 1.05 0.24 2.61 -2.24 -0.60 -0.73 114.28 112.63 2k3k n THR 97 Ca 0.00 0.62 0.13 0.00 -2.27 0.00 0.00 64.05 62.53 2k3k n THR 97 Cb 0.00 -1.60 0.78 0.00 -2.10 0.00 0.00 70.33 67.41 2k3k n THR 97 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2k3k h PHE 98 N 0.00 0.00 0.00 4.78 -0.00 -1.59 -3.36 116.94 116.77 2k3k h PHE 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2k3k h PHE 98 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.03 2k3k h PHE 98 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 178.31 178.67 2k3k n LYS 99 N -4.13 0.00 -4.26 6.09 -0.00 -0.76 -5.04 118.16 110.05 2k3k n LYS 99 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.13 2k3k n LYS 99 Cb 0.18 -0.19 -0.09 0.00 -0.00 0.00 0.00 35.03 34.93 2k3k n LYS 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2k3k s GLU 100 N 0.00 1.53 0.77 -1.58 2.12 0.09 -5.16 118.70 116.48 2k3k s GLU 100 Ca 0.00 -1.86 -0.11 0.00 0.36 0.00 0.00 54.97 53.36 2k3k s GLU 100 Cb 0.00 0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.67 2k3k s GLU 100 CO 0.00 -0.52 1.11 1.03 -0.54 0.00 0.00 175.26 176.34 2k3k s ARG 101 N -3.77 2.13 0.51 4.30 3.00 -1.26 -3.91 118.95 119.94 2k3k s ARG 101 Ca 0.39 1.31 0.25 0.00 0.00 0.00 0.00 55.73 57.68 2k3k s ARG 101 Cb 0.05 -1.87 1.34 0.00 0.00 0.00 0.00 34.95 34.47 2k3k s ARG 101 CO 0.20 -1.76 1.94 -1.35 0.00 0.00 0.00 175.30 174.33 2k3k h PRO 102 N -1.01 0.10 -3.20 3.54 0.11 -1.90 -3.41 132.00 126.23 2k3k h PRO 102 Ca -0.44 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 2k3k h PRO 102 Cb 1.24 -0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 2k3k h PRO 102 CO 0.50 0.06 -0.38 0.21 -0.21 0.00 0.00 178.00 178.18 2k3k s LYS 103 N -5.10 0.51 0.00 1.05 2.20 -1.26 -4.88 119.74 112.25 2k3k s LYS 103 Ca -0.06 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2k3k s LYS 103 Cb 0.21 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 2k3k s LYS 103 CO 0.76 -0.12 0.30 1.17 -0.36 0.00 0.00 175.35 177.10