#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 3.17 0.60 2.12 8.01 -1.26 -5.02 118.70 126.32 2k3k s GLU 2 Ca 0.00 1.65 -0.20 0.00 0.01 0.00 0.00 54.97 56.43 2k3k s GLU 2 Cb 0.00 -1.98 -0.03 0.00 -4.31 0.00 0.00 34.13 27.82 2k3k s GLU 2 CO 0.00 -1.01 1.30 -1.64 0.01 0.00 0.00 175.26 173.93 2k3k s MET 3 N -3.40 2.84 -0.38 1.61 -1.94 -1.26 -4.80 119.30 111.97 2k3k s MET 3 Ca 0.73 2.09 -0.38 0.00 -1.71 0.00 0.00 55.69 56.42 2k3k s MET 3 Cb -0.25 -2.01 -0.14 0.00 2.01 0.00 0.00 34.83 34.44 2k3k s MET 3 CO 0.30 -1.38 2.14 1.28 -0.01 0.00 0.00 175.02 177.36 2k3k n LEU 4 N -1.52 1.79 -4.65 -0.03 4.32 -1.26 -4.80 117.00 110.85 2k3k n LEU 4 Ca 0.13 0.54 -0.52 0.00 -0.02 0.00 0.00 56.01 56.14 2k3k n LEU 4 Cb 0.47 -1.16 -0.06 0.00 -1.62 0.00 0.00 43.42 41.06 2k3k n LEU 4 CO 0.49 -0.72 1.15 -2.65 -1.22 0.00 0.00 177.39 174.44 2k3k n PRO 5 N 7.79 1.46 -3.68 3.23 -0.02 -1.26 -4.79 135.00 137.72 2k3k n PRO 5 Ca 0.44 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2k3k n PRO 5 Cb 0.15 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.88 -0.44 0.12 2.55 2.47 -1.26 -5.00 114.94 115.27 2k3k s ASN 6 Ca 0.88 0.63 0.16 0.00 0.42 0.00 0.00 52.86 54.95 2k3k s ASN 6 Cb -0.91 0.67 0.69 0.00 -1.45 0.00 0.00 41.25 40.26 2k3k s ASN 6 CO 0.51 -0.36 1.48 1.67 -3.72 0.00 0.00 177.10 176.68 2k3k n GLN 7 N 1.88 0.08 -4.33 0.43 7.27 -1.26 -4.48 117.38 116.96 2k3k n GLN 7 Ca -0.17 0.40 -0.19 0.00 0.07 0.00 0.00 57.00 57.10 2k3k n GLN 7 Cb 0.56 -1.68 -0.13 0.00 2.41 0.00 0.00 30.24 31.41 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k3k s THR 8 N -3.17 1.04 0.27 1.69 2.01 -1.26 -1.64 115.64 114.57 2k3k s THR 8 Ca 0.04 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.12 2k3k s THR 8 Cb 0.07 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2k3k s THR 8 CO 0.25 -0.01 -0.02 0.27 -0.69 0.00 0.00 174.62 174.42 2k3k s ILE 9 N -0.84 1.33 -0.06 1.82 -4.36 -0.52 -2.09 121.20 116.48 2k3k s ILE 9 Ca 0.01 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 2k3k s ILE 9 Cb -0.08 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2k3k s ILE 9 CO 0.01 -0.27 -0.07 -0.47 0.24 0.00 0.00 174.94 174.39 2k3k s TYR 10 N -3.22 1.04 -0.18 1.37 5.04 0.25 -2.44 117.35 119.21 2k3k s TYR 10 Ca 0.30 -0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 54.52 2k3k s TYR 10 Cb 0.05 -0.87 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 2k3k s TYR 10 CO 0.11 -0.27 -0.04 0.42 -1.34 0.00 0.00 175.55 174.43 2k3k s ILE 11 N 1.04 3.73 -0.02 3.14 1.01 -0.08 -1.43 121.20 128.60 2k3k s ILE 11 Ca -0.09 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.19 2k3k s ILE 11 Cb -0.14 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.72 2k3k s ILE 11 CO -0.00 0.47 0.86 -0.46 0.00 0.00 0.00 174.94 175.80 2k3k n ASN 12 N 3.94 0.73 -2.66 3.58 0.23 -0.16 -1.44 115.26 119.48 2k3k n ASN 12 Ca -0.17 -1.86 -0.06 0.00 -0.53 0.00 0.00 54.58 51.95 2k3k n ASN 12 Cb 0.52 -0.14 0.04 0.00 -2.08 0.00 0.00 39.78 38.12 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k3k n ASN 13 N -0.33 2.24 -4.74 0.53 5.15 -1.24 -4.88 115.26 111.99 2k3k n ASN 13 Ca 0.03 -2.48 -0.41 0.00 -0.60 0.00 0.00 54.58 51.11 2k3k n ASN 13 Cb 0.55 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 39.30 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 -3.66 4.45 -0.26 1.20 0.20 -1.01 -4.63 118.68 114.96 2k3k s LEU 14 Ca 0.32 2.26 -0.29 0.00 0.69 0.00 0.00 54.13 57.11 2k3k s LEU 14 Cb 0.36 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 2k3k s LEU 14 CO -0.02 -0.39 1.72 0.21 -0.29 0.00 0.00 176.35 177.58 2k3k s ASN 15 N 0.13 6.15 0.61 3.68 3.84 -1.26 -4.65 114.94 123.44 2k3k s ASN 15 Ca 0.53 1.51 0.31 0.00 0.21 0.00 0.00 52.86 55.43 2k3k s ASN 15 Cb -0.33 -2.53 1.81 0.00 -0.55 0.00 0.00 41.25 39.65 2k3k s ASN 15 CO 0.37 -1.47 2.15 1.05 -2.79 0.00 0.00 177.10 176.42 2k3k h GLU 16 N 11.77 0.00 0.00 0.43 4.11 -1.90 -2.27 114.58 126.72 2k3k h GLU 16 Ca -0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.09 2k3k h GLU 16 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k3k h GLU 16 CO 1.01 0.00 -0.00 1.57 0.07 0.00 0.00 179.01 181.66 2k3k h LYS 17 N 0.00 0.00 -6.52 1.06 5.09 -1.90 -3.44 116.57 110.86 2k3k h LYS 17 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 60.26 2k3k h LYS 17 Cb 0.34 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.70 2k3k h LYS 17 CO -0.00 0.00 0.95 0.42 -2.09 0.00 0.00 179.45 178.73 2k3k s ILE 18 N -3.70 2.82 0.64 0.07 -1.09 -0.86 -4.98 121.20 114.11 2k3k s ILE 18 Ca 0.01 0.44 -0.17 0.00 -2.23 0.00 0.00 60.65 58.70 2k3k s ILE 18 Cb 0.09 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 2k3k s ILE 18 CO 0.54 0.02 1.20 -0.75 -1.23 0.00 0.00 174.94 174.72 2k3k s LYS 19 N 1.96 2.68 0.38 2.79 2.20 -1.26 -4.81 119.74 123.68 2k3k s LYS 19 Ca 0.72 1.78 0.08 0.00 -0.36 0.00 0.00 55.97 58.19 2k3k s LYS 19 Cb -0.42 -1.90 0.77 0.00 -1.51 0.00 0.00 37.83 34.77 2k3k s LYS 19 CO 0.32 -1.42 1.95 0.87 -0.36 0.00 0.00 175.35 176.71 2k3k h LYS 20 N 0.43 0.38 -0.58 4.03 6.56 -1.94 0.54 116.57 125.99 2k3k h LYS 20 Ca -0.49 -0.07 -0.10 0.00 -1.06 0.00 0.00 60.65 58.94 2k3k h LYS 20 Cb 1.29 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2k3k h LYS 20 CO 0.53 0.41 -0.02 1.49 -2.06 0.00 0.00 179.45 179.80 2k3k h GLU 21 N 0.37 1.03 -0.54 3.15 4.81 -1.97 -0.66 114.58 120.78 2k3k h GLU 21 Ca 0.09 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 2k3k h GLU 21 Cb 0.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2k3k h GLU 21 CO 0.01 1.02 -0.11 0.93 -0.73 0.00 0.00 179.01 180.13 2k3k h GLU 22 N 0.94 1.02 0.01 1.92 5.08 -1.60 -0.40 114.58 121.55 2k3k h GLU 22 Ca 0.17 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2k3k h GLU 22 Cb 0.56 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2k3k h GLU 22 CO 0.03 1.06 -0.14 1.25 -1.00 0.00 0.00 179.01 180.21 2k3k h LEU 23 N 0.89 -0.41 -0.07 1.33 7.12 -0.79 0.10 115.31 123.49 2k3k h LEU 23 Ca 0.14 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.22 2k3k h LEU 23 Cb 0.67 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2k3k h LEU 23 CO 0.05 -0.20 0.01 0.11 -0.13 0.00 0.00 178.44 178.28 2k3k h LYS 24 N -0.25 0.04 -0.34 1.25 1.57 -0.94 -0.37 116.57 117.53 2k3k h LYS 24 Ca 0.05 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2k3k h LYS 24 Cb 0.30 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2k3k h LYS 24 CO -0.13 0.03 0.06 -0.22 -0.57 0.00 0.00 179.45 178.62 2k3k h LYS 25 N 0.04 0.17 -0.43 3.15 3.11 -0.89 -1.43 116.57 120.31 2k3k h LYS 25 Ca 0.03 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 2k3k h LYS 25 Cb 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2k3k h LYS 25 CO -0.04 0.11 0.08 0.77 -2.81 0.00 0.00 179.45 177.57 2k3k h SER 26 N 0.18 0.67 0.11 4.20 0.02 -0.39 0.75 113.55 119.09 2k3k h SER 26 Ca 0.16 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2k3k h SER 26 Cb 0.18 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k3k h SER 26 CO -0.22 0.75 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.09 2k3k h LEU 27 N 0.56 -0.15 -1.50 5.07 3.38 -0.87 -1.36 115.31 120.44 2k3k h LEU 27 Ca 0.13 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2k3k h LEU 27 Cb 0.36 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k3k h LEU 27 CO 0.01 -0.10 -0.03 1.88 0.09 0.00 0.00 178.44 180.28 2k3k h TYR 28 N -0.16 0.28 -0.41 1.13 0.05 -1.09 -0.67 116.97 116.10 2k3k h TYR 28 Ca -0.01 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.61 2k3k h TYR 28 Cb 0.13 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2k3k h TYR 28 CO -0.08 0.32 -0.30 0.00 -1.05 0.00 0.00 178.16 177.05 2k3k h ALA 29 N 1.70 0.59 0.00 3.88 0.00 -0.23 -3.38 119.26 121.82 2k3k h ALA 29 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k3k h ALA 29 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k3k h ALA 29 CO 0.01 0.64 -0.55 0.44 0.00 0.00 0.00 179.25 179.78 2k3k n ILE 30 N -4.11 0.00 -0.24 0.00 -5.35 -0.57 -4.66 119.36 104.42 2k3k n ILE 30 Ca -0.02 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.45 2k3k n ILE 30 Cb 0.50 -0.41 0.20 0.00 -1.74 0.00 0.00 39.64 38.19 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 0.00 1.01 -0.04 4.28 -1.00 -1.27 -1.34 116.94 118.58 2k3k h PHE 31 Ca 0.00 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 2k3k h PHE 31 Cb 0.55 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 2k3k h PHE 31 CO 0.00 0.68 0.04 0.77 -1.61 0.00 0.00 178.31 178.18 2k3k h SER 32 N 1.06 0.00 0.29 2.17 0.02 -1.64 -1.67 113.55 113.78 2k3k h SER 32 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2k3k h SER 32 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k3k h SER 32 CO -0.05 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 2k3k n GLN 33 N -4.26 0.03 -0.05 3.45 6.02 -0.51 -0.64 117.38 121.43 2k3k n GLN 33 Ca -0.02 0.40 0.04 0.00 -0.01 0.00 0.00 57.00 57.40 2k3k n GLN 33 Cb 0.13 -1.58 0.05 0.00 1.02 0.00 0.00 30.24 29.86 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2k3k n PHE 34 N -1.65 0.00 0.00 1.08 3.72 -0.63 -4.88 117.46 115.10 2k3k n PHE 34 Ca 0.02 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2k3k n PHE 34 Cb 0.10 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2k3k n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k3k n GLY 35 N -0.78 0.00 2.19 1.37 0.00 -1.00 -2.39 105.19 104.57 2k3k n GLY 35 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k3k n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k3k n GLN 36 N 0.00 -2.57 -1.83 1.61 -0.06 0.18 -3.74 117.38 110.97 2k3k n GLN 36 Ca 0.00 1.86 -0.38 0.00 -2.00 0.00 0.00 57.00 56.48 2k3k n GLN 36 Cb 0.00 -2.59 0.04 0.00 -4.06 0.00 0.00 30.24 23.63 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 -0.30 2.19 -0.15 1.69 1.01 -1.26 -2.23 121.20 122.15 2k3k s ILE 37 Ca -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 2k3k s ILE 37 Cb 0.00 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 2k3k s ILE 37 CO 0.00 -0.01 -0.16 -0.11 0.00 0.00 0.00 174.94 174.66 2k3k n LEU 38 N -1.16 1.87 -3.69 2.97 0.00 0.86 -4.77 117.00 113.08 2k3k n LEU 38 Ca 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 56.01 56.09 2k3k n LEU 38 Cb 0.46 -0.46 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 2k3k n LEU 38 CO 0.51 0.49 0.19 -0.62 0.00 0.00 0.00 177.39 177.96 2k3k s ASP 39 N -5.92 -0.23 0.00 1.96 2.15 -0.67 -4.99 116.67 108.97 2k3k s ASP 39 Ca -0.20 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.38 2k3k s ASP 39 Cb 0.07 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2k3k s ASP 39 CO 0.29 -0.93 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.70 2k3k s ILE 40 N -3.84 0.24 -0.28 4.11 1.01 -1.26 -0.50 121.20 120.68 2k3k s ILE 40 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2k3k s ILE 40 Cb 0.01 -0.24 0.10 0.00 0.01 0.00 0.00 42.46 42.34 2k3k s ILE 40 CO -0.08 -0.04 0.12 -0.69 0.00 0.00 0.00 174.94 174.26 2k3k s VAL 41 N -0.33 -0.03 -0.04 2.92 1.01 0.01 -4.99 120.40 118.95 2k3k s VAL 41 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2k3k s VAL 41 Cb -0.03 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.40 2k3k s VAL 41 CO -0.00 -0.68 0.12 0.00 0.00 0.00 0.00 175.10 174.53 2k3k s ALA 42 N 2.08 -0.28 0.14 5.51 0.00 -1.26 -0.98 121.76 126.97 2k3k s ALA 42 Ca 0.08 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.43 2k3k s ALA 42 Cb -0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2k3k s ALA 42 CO -0.34 -0.06 -0.10 -0.51 0.00 0.00 0.00 175.76 174.75 2k3k s LEU 43 N 0.14 2.53 0.28 0.00 2.01 -1.26 -5.00 118.68 117.37 2k3k s LEU 43 Ca -0.01 -1.01 0.25 0.00 0.01 0.00 0.00 54.13 53.37 2k3k s LEU 43 Cb -0.02 -0.33 0.90 0.00 0.01 0.00 0.00 46.19 46.75 2k3k s LEU 43 CO -0.00 -0.34 1.76 0.11 1.01 0.00 0.00 176.35 178.88 2k3k h LYS 44 N 2.79 0.00 -7.13 1.70 1.57 -1.99 -3.39 116.57 110.11 2k3k h LYS 44 Ca -0.36 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.86 2k3k h LYS 44 Cb 1.19 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.66 2k3k h LYS 44 CO 0.64 0.00 0.48 0.95 -0.57 0.00 0.00 179.45 180.95 2k3k s THR 45 N -3.25 2.03 0.59 -0.16 -4.23 -1.26 -4.80 115.64 104.56 2k3k s THR 45 Ca 0.07 0.01 0.29 0.00 -1.18 0.00 0.00 61.69 60.88 2k3k s THR 45 Cb 0.10 -2.88 0.35 0.00 1.34 0.00 0.00 72.50 71.42 2k3k s THR 45 CO 0.51 -0.00 2.19 0.17 -0.54 0.00 0.00 174.62 176.95 2k3k h LEU 46 N 0.23 0.00 -2.50 4.79 -0.00 -1.99 -0.85 115.31 114.98 2k3k h LEU 46 Ca -0.50 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.40 2k3k h LEU 46 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2k3k h LEU 46 CO 0.52 0.00 0.11 0.50 -0.00 0.00 0.00 178.44 179.56 2k3k h LYS 47 N 0.00 0.00 0.00 0.17 3.64 -1.92 -2.82 116.57 115.64 2k3k h LYS 47 Ca 0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2k3k h LYS 47 Cb 0.21 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2k3k h LYS 47 CO -0.00 0.00 -0.47 -1.33 -2.27 0.00 0.00 179.45 175.38 2k3k n MET 48 N -3.46 0.52 0.06 1.90 2.81 -0.35 -4.89 117.12 113.72 2k3k n MET 48 Ca -0.01 -1.87 0.05 0.00 -1.81 0.00 0.00 57.70 54.06 2k3k n MET 48 Cb 0.19 -0.80 0.47 0.00 -0.71 0.00 0.00 33.22 32.38 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 0.30 0.41 0.00 0.03 9.65 -1.26 -3.30 114.38 120.20 2k3k h ARG 49 Ca -0.04 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.66 2k3k h ARG 49 Cb 1.34 -0.09 -0.27 0.00 -1.39 0.00 0.00 29.97 29.56 2k3k h ARG 49 CO 0.02 0.28 -0.74 0.41 2.80 0.00 0.00 179.97 182.74 2k3k n GLY 50 N -1.46 0.81 3.31 2.80 0.00 -1.26 -4.29 105.19 105.10 2k3k n GLY 50 Ca 0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.06 0.23 1.61 0.00 -1.24 -2.40 119.66 118.92 2k3k s GLN 51 Ca 0.20 -0.91 -0.18 0.00 -0.00 0.00 0.00 55.36 54.47 2k3k s GLN 51 Cb 0.23 0.42 0.02 0.00 0.00 0.00 0.00 33.01 33.68 2k3k s GLN 51 CO -0.10 -0.39 0.58 0.00 0.00 0.00 0.00 175.29 175.38 2k3k s ALA 52 N -3.87 -0.94 0.14 2.60 0.00 -0.52 -4.71 121.76 114.45 2k3k s ALA 52 Ca 0.08 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.80 2k3k s ALA 52 Cb 0.03 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 2k3k s ALA 52 CO -0.08 -0.88 -0.19 -0.06 0.00 0.00 0.00 175.76 174.55 2k3k s PHE 53 N -3.91 1.75 -0.13 0.00 0.40 -0.16 -0.90 117.98 115.04 2k3k s PHE 53 Ca 0.12 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.82 2k3k s PHE 53 Cb -0.02 -0.91 0.04 0.00 0.51 0.00 0.00 43.02 42.64 2k3k s PHE 53 CO 0.02 0.26 0.44 0.54 0.70 0.00 0.00 175.22 177.17 2k3k s VAL 54 N -1.75 0.01 -0.03 -0.44 0.11 -1.02 -0.81 120.40 116.48 2k3k s VAL 54 Ca 0.11 -0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 2k3k s VAL 54 Cb -0.07 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2k3k s VAL 54 CO 0.05 -0.05 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.92 2k3k s ILE 55 N -0.17 2.37 0.45 7.04 1.09 0.34 -1.43 121.20 130.89 2k3k s ILE 55 Ca -0.03 -1.01 0.03 0.00 -1.10 0.00 0.00 60.65 58.54 2k3k s ILE 55 Cb -0.03 -1.86 -0.02 0.00 -1.06 0.00 0.00 42.46 39.48 2k3k s ILE 55 CO 0.02 0.57 0.08 -0.36 -0.10 0.00 0.00 174.94 175.15 2k3k s PHE 56 N -0.66 1.83 0.22 3.97 0.40 -0.65 -0.10 117.98 122.99 2k3k s PHE 56 Ca 0.11 -1.14 -0.08 0.00 -0.60 0.00 0.00 56.93 55.21 2k3k s PHE 56 Cb -0.10 -1.35 0.32 0.00 0.51 0.00 0.00 43.02 42.40 2k3k s PHE 56 CO -0.00 -0.07 1.74 0.87 0.70 0.00 0.00 175.22 178.46 2k3k h LYS 57 N 1.61 0.42 -3.30 0.44 1.57 -1.53 -3.42 116.57 112.36 2k3k h LYS 57 Ca -0.39 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2k3k h LYS 57 Cb 1.29 -0.09 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 2k3k h LYS 57 CO 0.64 0.28 0.01 -2.00 -0.57 0.00 0.00 179.45 177.81 2k3k s GLU 58 N -6.07 1.24 0.31 3.15 2.12 -1.26 -5.04 118.70 113.14 2k3k s GLU 58 Ca -0.13 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2k3k s GLU 58 Cb 0.18 0.51 0.63 0.00 0.26 0.00 0.00 34.13 35.71 2k3k s GLU 58 CO 0.75 -0.51 1.87 -0.84 -0.54 0.00 0.00 175.26 175.98 2k3k h ILE 59 N 2.24 0.93 -0.19 -3.70 3.07 -1.88 -0.15 117.51 117.82 2k3k h ILE 59 Ca -0.32 -0.31 -0.10 0.00 1.55 0.00 0.00 64.86 65.69 2k3k h ILE 59 Cb 1.27 -0.06 -0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2k3k h ILE 59 CO 0.41 0.17 -0.25 1.23 -1.05 0.00 0.00 178.15 178.66 2k3k h GLY 60 N 0.91 0.56 0.99 0.16 0.00 -1.95 -1.70 103.07 102.04 2k3k h GLY 60 Ca 0.45 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2k3k h GLY 60 CO -0.22 0.55 0.51 1.76 0.00 0.00 0.00 176.54 179.14 2k3k h SER 61 N 0.18 0.88 0.25 0.19 0.02 -1.74 0.17 113.55 113.50 2k3k h SER 61 Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3k h SER 61 Cb 0.82 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k3k h SER 61 CO 0.06 0.64 -0.12 0.00 -1.14 0.00 0.00 176.83 176.27 2k3k h ALA 62 N 1.29 -0.33 0.00 3.77 0.00 -0.95 -1.14 119.26 121.90 2k3k h ALA 62 Ca 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2k3k h ALA 62 Cb -0.10 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3k h ALA 62 CO -0.07 -0.66 -0.27 0.77 0.00 0.00 0.00 179.25 179.02 2k3k h SER 63 N -0.38 0.00 -0.33 0.00 0.02 -1.06 -0.47 113.55 111.33 2k3k h SER 63 Ca -0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2k3k h SER 63 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2k3k h SER 63 CO 0.06 0.27 0.01 -1.13 -1.14 0.00 0.00 176.83 174.90 2k3k h ASN 64 N 0.00 0.55 0.16 3.07 -1.24 -0.66 -0.10 115.58 117.36 2k3k h ASN 64 Ca -0.00 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 56.70 2k3k h ASN 64 Cb 0.51 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.41 2k3k h ASN 64 CO 0.04 0.72 -0.08 0.00 -1.29 0.00 0.00 177.43 176.81 2k3k h ALA 65 N 0.86 -0.22 -0.02 1.57 0.00 -0.84 -1.40 119.26 119.21 2k3k h ALA 65 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3k h ALA 65 Cb 0.43 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2k3k h ALA 65 CO 0.01 -0.63 -0.44 1.25 0.00 0.00 0.00 179.25 179.45 2k3k h LEU 66 N -0.23 -1.34 -0.16 0.00 6.46 -0.97 -0.50 115.31 118.57 2k3k h LEU 66 Ca -0.02 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2k3k h LEU 66 Cb 0.18 0.52 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2k3k h LEU 66 CO 0.03 -0.47 0.08 -0.09 -0.62 0.00 0.00 178.44 177.37 2k3k h ARG 67 N -0.58 0.23 -0.27 1.25 2.43 -0.98 0.06 114.38 116.52 2k3k h ARG 67 Ca 0.04 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2k3k h ARG 67 Cb 0.66 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2k3k h ARG 67 CO -0.33 0.27 -0.09 1.15 -1.51 0.00 0.00 179.97 179.46 2k3k h THR 68 N 0.13 1.21 -0.00 0.20 2.02 -0.97 -2.54 112.91 112.94 2k3k h THR 68 Ca 0.05 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.35 2k3k h THR 68 Cb 0.12 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2k3k h THR 68 CO -0.01 0.29 -0.46 0.23 0.37 0.00 0.00 175.52 175.94 2k3k n MET 69 N -4.25 0.39 -1.68 6.66 2.81 -0.22 -4.75 117.12 116.09 2k3k n MET 69 Ca 0.00 -0.25 -0.44 0.00 -1.81 0.00 0.00 57.70 55.20 2k3k n MET 69 Cb 0.28 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.08 2.53 -0.81 0.03 -0.06 -0.01 -1.31 117.38 116.67 2k3k n GLN 70 Ca 0.08 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 2k3k n GLN 70 Cb 0.35 -2.78 0.00 0.00 -4.06 0.00 0.00 30.24 23.74 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 4.14 0.54 3.75 1.69 0.00 -0.27 -4.94 105.19 110.10 2k3k n GLY 71 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.60 3.26 -1.20 1.61 5.36 -0.42 -4.24 117.98 119.74 2k3k s PHE 72 Ca 0.00 1.40 -0.19 0.00 -0.96 0.00 0.00 56.93 57.18 2k3k s PHE 72 Cb 0.00 -3.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.10 2k3k s PHE 72 CO 0.00 -1.56 1.93 -0.35 -1.46 0.00 0.00 175.22 173.77 2k3k n PRO 73 N 1.68 2.38 -0.33 10.12 -0.04 -1.26 -0.85 135.00 146.70 2k3k n PRO 73 Ca 0.02 -2.66 0.02 0.00 -0.04 0.00 0.00 63.50 60.84 2k3k n PRO 73 Cb 0.43 -3.42 0.20 0.00 -0.04 0.00 0.00 33.50 30.67 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 7.90 1.12 -0.53 0.54 3.57 -1.91 -3.45 116.94 124.17 2k3k h PHE 74 Ca 0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2k3k h PHE 74 Cb 0.81 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2k3k h PHE 74 CO 1.34 0.63 0.00 0.66 -2.23 0.00 0.00 178.31 178.71 2k3k n TYR 75 N -4.46 0.00 0.37 0.41 4.01 -1.26 -5.01 117.16 111.22 2k3k n TYR 75 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2k3k n TYR 75 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2k3k n TYR 75 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k3k n ASP 76 N 0.00 0.56 -3.83 7.72 2.03 -1.26 -4.52 116.55 117.25 2k3k n ASP 76 Ca 0.00 -0.75 -0.14 0.00 0.52 0.00 0.00 54.79 54.42 2k3k n ASP 76 Cb 0.00 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.60 0.08 0.09 -0.67 1.02 -1.26 -5.06 119.74 113.34 2k3k s LYS 77 Ca 0.00 0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.75 2k3k s LYS 77 Cb 0.00 -0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.02 2k3k s LYS 77 CO 0.00 -0.08 1.36 -1.25 -0.92 0.00 0.00 175.35 174.47 2k3k s PRO 78 N 0.57 4.33 0.65 -1.68 0.04 -1.26 -3.64 135.00 134.01 2k3k s PRO 78 Ca -0.05 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 2k3k s PRO 78 Cb -0.07 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2k3k s PRO 78 CO -0.01 -0.43 1.25 -1.64 0.04 0.00 0.00 177.00 176.20 2k3k s MET 79 N 1.27 2.60 -0.07 4.56 -1.94 -0.03 -4.82 119.30 120.87 2k3k s MET 79 Ca 0.64 1.92 0.01 0.00 -1.71 0.00 0.00 55.69 56.55 2k3k s MET 79 Cb -0.35 -1.87 0.02 0.00 2.01 0.00 0.00 34.83 34.64 2k3k s MET 79 CO 0.30 -1.52 -0.09 -0.65 -0.01 0.00 0.00 175.02 173.05 2k3k s GLN 80 N -3.48 1.40 0.03 2.03 -1.52 -1.26 -1.12 119.66 115.74 2k3k s GLN 80 Ca 0.79 -0.27 -0.00 0.00 -1.95 0.00 0.00 55.36 53.93 2k3k s GLN 80 Cb -0.33 -1.30 -0.02 0.00 -0.22 0.00 0.00 33.01 31.13 2k3k s GLN 80 CO 0.39 -0.09 -0.03 0.42 -0.25 0.00 0.00 175.29 175.72 2k3k s ILE 81 N 1.07 0.15 0.24 1.08 1.01 -1.26 -0.99 121.20 122.50 2k3k s ILE 81 Ca -0.07 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.36 2k3k s ILE 81 Cb -0.14 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 2k3k s ILE 81 CO -0.01 -0.61 0.39 0.00 0.00 0.00 0.00 174.94 174.71 2k3k s ALA 82 N -2.01 0.15 0.41 9.38 0.00 -0.51 -5.01 121.76 124.17 2k3k s ALA 82 Ca -0.11 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.49 2k3k s ALA 82 Cb -0.06 1.16 -0.09 0.00 0.00 0.00 0.00 23.12 24.13 2k3k s ALA 82 CO -0.03 -0.78 1.27 1.52 0.00 0.00 0.00 175.76 177.74 2k3k s TYR 83 N -4.04 2.86 -2.00 0.00 1.13 -1.26 -0.59 117.35 113.45 2k3k s TYR 83 Ca 0.27 1.44 0.04 0.00 -1.41 0.00 0.00 57.07 57.41 2k3k s TYR 83 Cb 0.01 -3.61 0.24 0.00 -1.10 0.00 0.00 41.96 37.50 2k3k s TYR 83 CO 0.10 -1.94 0.60 -1.13 -2.51 0.00 0.00 175.55 170.67 2k3k n SER 84 N 0.09 0.00 0.20 -0.18 3.41 -0.89 -1.60 113.62 114.65 2k3k n SER 84 Ca 0.04 -0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.42 2k3k n SER 84 Cb 0.44 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.76 2k3k n SER 84 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2k3k h LYS 85 N 0.00 0.00 0.00 4.33 1.57 -1.90 -3.47 116.57 117.10 2k3k h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3k h LYS 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k3k h LYS 85 CO 0.00 0.35 0.00 0.43 -0.57 0.00 0.00 179.45 179.66 2k3k n SER 86 N -3.56 0.00 -3.30 0.86 7.64 -0.63 -4.88 113.62 109.76 2k3k n SER 86 Ca -0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.78 2k3k n SER 86 Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2k3k n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k3k s ASP 87 N -3.18 0.08 0.61 6.43 2.15 -1.26 -5.06 116.67 116.43 2k3k s ASP 87 Ca 0.00 -1.06 0.28 0.00 0.43 0.00 0.00 52.55 52.20 2k3k s ASP 87 Cb 0.00 0.77 1.33 0.00 -0.30 0.00 0.00 42.92 44.72 2k3k s ASP 87 CO 0.00 -1.50 1.74 0.28 -0.17 0.00 0.00 175.17 175.52 2k3k h SER 88 N 2.04 0.00 -0.37 -0.34 0.02 -1.99 -0.72 113.55 112.19 2k3k h SER 88 Ca -0.28 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2k3k h SER 88 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2k3k h SER 88 CO 0.36 0.00 0.15 -0.78 -1.14 0.00 0.00 176.83 175.42 2k3k h ASP 89 N 0.00 0.52 0.70 3.07 3.58 -1.98 0.46 116.42 122.77 2k3k h ASP 89 Ca 0.24 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 2k3k h ASP 89 Cb 1.54 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 2k3k h ASP 89 CO -0.00 0.54 -0.57 0.16 -2.88 0.00 0.00 179.24 176.48 2k3k h ILE 90 N 0.46 1.31 -0.57 2.25 3.07 -1.52 -0.50 117.51 122.02 2k3k h ILE 90 Ca 0.13 -2.03 -0.03 0.00 1.55 0.00 0.00 64.86 64.47 2k3k h ILE 90 Cb 0.18 2.13 -0.03 0.00 -0.27 0.00 0.00 36.82 38.83 2k3k h ILE 90 CO -0.01 0.56 0.24 0.58 -1.05 0.00 0.00 178.15 178.48 2k3k h VAL 91 N 0.00 1.22 -0.30 0.16 2.07 -1.38 -0.66 116.25 117.37 2k3k h VAL 91 Ca -0.01 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2k3k h VAL 91 Cb 1.08 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2k3k h VAL 91 CO 0.07 0.26 -0.07 0.00 0.02 0.00 0.00 177.57 177.86 2k3k h ALA 92 N 1.09 1.33 0.15 1.67 0.00 -0.50 -0.34 119.26 122.66 2k3k h ALA 92 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k3k h ALA 92 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k3k h ALA 92 CO -0.02 0.45 -0.09 0.87 0.00 0.00 0.00 179.25 180.46 2k3k h LYS 93 N 0.46 -0.22 -0.05 0.00 1.57 -0.34 -0.32 116.57 117.66 2k3k h LYS 93 Ca 0.09 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 2k3k h LYS 93 Cb 0.40 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2k3k h LYS 93 CO 0.02 -0.15 -0.69 -0.84 -0.57 0.00 0.00 179.45 177.23 2k3k h ILE 94 N -0.23 1.42 0.00 1.86 3.07 -0.85 -2.67 117.51 120.11 2k3k h ILE 94 Ca -0.01 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.22 2k3k h ILE 94 Cb 0.19 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2k3k h ILE 94 CO 0.01 0.64 0.00 0.11 -1.05 0.00 0.00 178.15 177.86 2k3k h LYS 95 N 0.15 0.00 0.00 0.16 1.79 -1.06 -3.47 116.57 114.15 2k3k h LYS 95 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k3k h LYS 95 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2k3k h LYS 95 CO 0.11 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.89 2k3k n GLY 96 N 0.38 2.54 0.00 3.86 0.00 -0.24 -4.91 105.19 106.81 2k3k n GLY 96 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.55 0.31 2.61 -2.24 -0.57 -0.74 114.28 112.20 2k3k n THR 97 Ca 0.00 0.14 0.19 0.00 -2.27 0.00 0.00 64.05 62.11 2k3k n THR 97 Cb 0.00 -1.01 1.04 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.56 -3.36 116.94 116.80 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 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.00 2k3k h PHE 98 CO 0.00 0.01 -0.09 0.36 -0.00 0.00 0.00 178.31 178.59 2k3k n LYS 99 N -3.34 0.32 -1.26 6.09 2.85 -0.69 -5.04 118.16 117.09 2k3k n LYS 99 Ca -0.03 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.92 2k3k n LYS 99 Cb 0.11 -0.55 0.10 0.00 -0.65 0.00 0.00 35.03 34.05 2k3k n LYS 99 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2k3k s GLU 100 N -1.09 2.06 0.06 -1.58 2.56 0.08 -5.07 118.70 115.71 2k3k s GLU 100 Ca 0.00 1.41 0.01 0.00 0.00 0.00 0.00 54.97 56.38 2k3k s GLU 100 Cb 0.00 -1.86 -0.03 0.00 2.00 0.00 0.00 34.13 34.24 2k3k s GLU 100 CO 0.00 -1.83 -0.05 1.03 -0.56 0.00 0.00 175.26 173.85 2k3k s ARG 101 N -4.51 0.60 0.48 4.30 0.52 -1.26 -4.36 118.95 114.73 2k3k s ARG 101 Ca 0.66 -1.05 0.23 0.00 -0.52 0.00 0.00 55.73 55.05 2k3k s ARG 101 Cb -0.21 -0.02 1.24 0.00 0.52 0.00 0.00 34.95 36.48 2k3k s ARG 101 CO 0.52 -0.04 2.01 -1.00 0.02 0.00 0.00 175.30 176.80 2k3k h PRO 102 N 3.64 0.00 -3.89 3.54 0.13 -1.97 -3.41 132.00 130.04 2k3k h PRO 102 Ca -0.34 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.53 2k3k h PRO 102 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2k3k h PRO 102 CO 0.56 0.17 -0.73 0.15 -0.23 0.00 0.00 178.00 177.93 2k3k s LYS 103 N -4.21 0.12 0.00 0.86 1.02 -1.26 -5.31 119.74 110.97 2k3k s LYS 103 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2k3k s LYS 103 Cb 0.13 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2k3k s LYS 103 CO 0.62 0.03 0.43 1.63 -0.92 0.00 0.00 175.35 177.14