#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k h GLU 2 N 0.00 0.00 -7.28 2.12 4.11 -2.03 -3.45 114.58 108.06 2k3k h GLU 2 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.92 2k3k h GLU 2 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 2k3k h GLU 2 CO 0.00 0.95 0.36 0.00 0.07 0.00 0.00 179.01 180.38 2k3k s MET 3 N -2.70 2.77 0.03 1.06 0.23 -1.26 -5.09 119.30 114.34 2k3k s MET 3 Ca 0.01 1.16 0.01 0.00 -1.03 0.00 0.00 55.69 55.84 2k3k s MET 3 Cb 0.10 -1.96 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 2k3k s MET 3 CO 0.82 -1.25 -0.06 -0.48 -2.03 0.00 0.00 175.02 172.03 2k3k s LEU 4 N -5.33 2.25 0.24 0.18 0.05 -1.26 -5.11 118.68 109.70 2k3k s LEU 4 Ca 0.62 -0.52 -0.31 0.00 0.05 0.00 0.00 54.13 53.96 2k3k s LEU 4 Cb -0.17 -0.05 -0.13 0.00 -2.05 0.00 0.00 46.19 43.79 2k3k s LEU 4 CO 0.49 -0.24 1.40 -2.65 -0.55 0.00 0.00 176.35 174.80 2k3k n PRO 5 N 1.54 2.02 -3.51 1.48 -0.02 -1.26 -4.84 135.00 130.42 2k3k n PRO 5 Ca -0.23 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 2k3k n PRO 5 Cb 0.55 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.27 -0.65 0.26 2.55 2.47 -1.26 -5.06 114.94 113.52 2k3k s ASN 6 Ca 0.68 0.64 0.24 0.00 0.42 0.00 0.00 52.86 54.83 2k3k s ASN 6 Cb -0.65 0.55 0.99 0.00 -1.45 0.00 0.00 41.25 40.68 2k3k s ASN 6 CO 0.50 -0.65 1.72 1.67 -3.72 0.00 0.00 177.10 176.62 2k3k n GLN 7 N 0.76 0.20 -4.25 0.43 7.27 -1.26 -4.57 117.38 115.96 2k3k n GLN 7 Ca -0.19 0.42 -0.18 0.00 0.07 0.00 0.00 57.00 57.13 2k3k n GLN 7 Cb 0.58 -1.88 -0.13 0.00 2.41 0.00 0.00 30.24 31.22 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 -3.32 0.90 0.22 1.69 2.01 -1.26 -1.20 115.64 114.68 2k3k s THR 8 Ca 0.04 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.18 2k3k s THR 8 Cb 0.09 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2k3k s THR 8 CO 0.40 -0.09 -0.14 0.27 -0.69 0.00 0.00 174.62 174.37 2k3k s ILE 9 N -0.91 1.82 -0.13 1.82 -4.36 -0.52 -1.77 121.20 117.14 2k3k s ILE 9 Ca -0.01 -2.23 -0.00 0.00 -0.26 0.00 0.00 60.65 58.14 2k3k s ILE 9 Cb -0.08 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.55 2k3k s ILE 9 CO 0.01 -0.55 -0.09 -0.47 0.24 0.00 0.00 174.94 174.09 2k3k s TYR 10 N -2.92 1.67 -0.20 1.37 5.04 0.26 -2.11 117.35 120.46 2k3k s TYR 10 Ca 0.24 -0.90 -0.08 0.00 -2.44 0.00 0.00 57.07 53.89 2k3k s TYR 10 Cb -0.01 -1.33 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 2k3k s TYR 10 CO 0.08 -0.56 0.09 0.42 -1.34 0.00 0.00 175.55 174.23 2k3k s ILE 11 N 1.65 4.89 0.00 3.14 1.01 0.26 -1.06 121.20 131.09 2k3k s ILE 11 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2k3k s ILE 11 Cb -0.13 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2k3k s ILE 11 CO -0.09 0.43 0.57 0.59 0.00 0.00 0.00 174.94 176.44 2k3k n ASN 12 N 3.81 1.14 -2.76 3.58 4.13 0.25 -1.97 115.26 123.43 2k3k n ASN 12 Ca -0.16 -1.16 -0.03 0.00 1.68 0.00 0.00 54.58 54.91 2k3k n ASN 12 Cb 0.52 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.82 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k3k n ASN 13 N -0.08 1.03 -4.77 6.41 5.15 -1.21 -4.82 115.26 116.98 2k3k n ASN 13 Ca 0.00 -2.26 -0.36 0.00 -0.60 0.00 0.00 54.58 51.36 2k3k n ASN 13 Cb 0.04 -0.29 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 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 -3.62 3.80 -0.38 1.20 0.20 -0.28 -4.57 118.68 115.03 2k3k s LEU 14 Ca 0.25 2.30 -0.27 0.00 0.69 0.00 0.00 54.13 57.10 2k3k s LEU 14 Cb 0.38 -4.49 0.02 0.00 -0.43 0.00 0.00 46.19 41.67 2k3k s LEU 14 CO -0.03 -1.26 0.98 0.21 -0.29 0.00 0.00 176.35 175.96 2k3k s ASN 15 N -1.58 6.70 0.41 3.68 3.84 -1.26 -4.58 114.94 122.15 2k3k s ASN 15 Ca 0.72 0.60 0.28 0.00 0.21 0.00 0.00 52.86 54.67 2k3k s ASN 15 Cb -0.28 -2.49 1.49 0.00 -0.55 0.00 0.00 41.25 39.43 2k3k s ASN 15 CO 0.32 -0.93 1.86 1.05 -2.79 0.00 0.00 177.10 176.60 2k3k h GLU 16 N 8.57 0.00 0.00 0.43 9.09 -1.93 -1.87 114.58 128.87 2k3k h GLU 16 Ca -0.23 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.16 2k3k h GLU 16 Cb 1.07 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 2k3k h GLU 16 CO 1.01 0.00 -0.11 1.57 0.05 0.00 0.00 179.01 181.53 2k3k h LYS 17 N 0.00 0.00 -6.31 1.06 5.09 -1.92 -3.40 116.57 111.10 2k3k h LYS 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 60.65 60.17 2k3k h LYS 17 Cb 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.35 2k3k h LYS 17 CO 0.00 0.11 1.10 0.42 -2.09 0.00 0.00 179.45 178.99 2k3k s ILE 18 N -4.26 3.78 0.92 0.07 -1.09 -0.71 -5.02 121.20 114.90 2k3k s ILE 18 Ca -0.03 0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 59.15 2k3k s ILE 18 Cb 0.13 -3.82 0.14 0.00 -1.58 0.00 0.00 42.46 37.34 2k3k s ILE 18 CO 0.59 -0.36 1.09 -1.59 -1.23 0.00 0.00 174.94 173.44 2k3k s LYS 19 N 4.64 1.09 0.29 2.79 -2.85 -1.26 -4.76 119.74 119.67 2k3k s LYS 19 Ca 0.68 0.78 -0.03 0.00 -1.00 0.00 0.00 55.97 56.41 2k3k s LYS 19 Cb -0.23 -1.79 0.40 0.00 -2.06 0.00 0.00 37.83 34.15 2k3k s LYS 19 CO 0.28 -2.35 1.96 0.87 0.10 0.00 0.00 175.35 176.21 2k3k h LYS 20 N -1.62 1.14 -0.58 1.78 6.56 -1.94 0.71 116.57 122.62 2k3k h LYS 20 Ca -0.50 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 58.99 2k3k h LYS 20 Cb 1.29 -0.26 -0.03 0.00 -0.57 0.00 0.00 32.23 32.67 2k3k h LYS 20 CO 0.55 0.76 0.24 1.49 -2.06 0.00 0.00 179.45 180.42 2k3k h GLU 21 N 1.18 0.87 -0.40 3.15 4.81 -1.97 -0.73 114.58 121.48 2k3k h GLU 21 Ca 0.32 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2k3k h GLU 21 Cb -0.12 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2k3k h GLU 21 CO -0.07 0.74 -0.25 0.93 -0.73 0.00 0.00 179.01 179.62 2k3k h GLU 22 N 0.80 0.83 0.33 1.92 5.08 -1.67 -1.45 114.58 120.42 2k3k h GLU 22 Ca 0.20 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2k3k h GLU 22 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k3k h GLU 22 CO -0.02 0.99 -0.30 1.25 -1.00 0.00 0.00 179.01 179.93 2k3k h LEU 23 N 0.71 -0.79 -0.17 1.33 7.12 -0.62 0.11 115.31 123.00 2k3k h LEU 23 Ca 0.09 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.19 2k3k h LEU 23 Cb 0.79 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2k3k h LEU 23 CO 0.07 -0.43 0.02 0.11 -0.13 0.00 0.00 178.44 178.07 2k3k h LYS 24 N -0.65 0.08 -0.69 1.25 1.57 -1.05 -0.59 116.57 116.50 2k3k h LYS 24 Ca -0.02 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2k3k h LYS 24 Cb 0.58 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2k3k h LYS 24 CO -0.04 0.05 0.37 -0.22 -0.57 0.00 0.00 179.45 179.05 2k3k h LYS 25 N 0.08 0.65 -0.47 3.15 1.63 -1.12 -1.53 116.57 118.98 2k3k h LYS 25 Ca 0.08 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 2k3k h LYS 25 Cb 0.08 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2k3k h LYS 25 CO -0.12 0.43 -0.05 0.77 -3.45 0.00 0.00 179.45 177.03 2k3k h SER 26 N 0.67 0.86 -0.37 4.20 0.02 0.05 0.77 113.55 119.76 2k3k h SER 26 Ca 0.32 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2k3k h SER 26 Cb 0.24 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2k3k h SER 26 CO -0.21 0.99 0.12 -0.07 -1.14 0.00 0.00 176.83 176.52 2k3k h LEU 27 N 0.71 0.53 -1.42 5.07 3.38 -0.79 -1.16 115.31 121.63 2k3k h LEU 27 Ca 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k3k h LEU 27 Cb 0.58 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2k3k h LEU 27 CO 0.03 0.59 0.07 1.88 0.09 0.00 0.00 178.44 181.10 2k3k h TYR 28 N 0.45 0.46 -0.18 1.13 0.05 -1.10 0.38 116.97 118.15 2k3k h TYR 28 Ca 0.12 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.74 2k3k h TYR 28 Cb 0.24 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2k3k h TYR 28 CO 0.01 0.41 -0.46 0.00 -1.05 0.00 0.00 178.16 177.06 2k3k h ALA 29 N 1.63 0.85 0.00 3.88 0.00 -0.08 -3.39 119.26 122.15 2k3k h ALA 29 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k3k h ALA 29 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k3k h ALA 29 CO -0.00 0.66 -0.55 0.44 0.00 0.00 0.00 179.25 179.79 2k3k n ILE 30 N -3.99 0.08 -0.23 0.00 -5.35 -0.51 -4.80 119.36 104.55 2k3k n ILE 30 Ca -0.02 0.03 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 2k3k n ILE 30 Cb 0.54 -1.12 0.12 0.00 -1.74 0.00 0.00 39.64 37.44 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 0.61 -0.75 4.28 -1.00 -1.09 -0.92 116.94 118.07 2k3k h PHE 31 Ca 0.00 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.94 2k3k h PHE 31 Cb 0.55 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.89 2k3k h PHE 31 CO 0.00 0.23 0.50 0.77 -1.61 0.00 0.00 178.31 178.20 2k3k h SER 32 N 0.59 0.44 0.39 2.17 0.02 -1.52 -2.52 113.55 113.13 2k3k h SER 32 Ca 0.33 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2k3k h SER 32 Cb 0.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3k h SER 32 CO -0.25 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2k3k n GLN 33 N -4.49 0.43 -0.63 3.45 3.00 -0.35 -2.14 117.38 116.65 2k3k n GLN 33 Ca 0.14 0.04 0.03 0.00 -0.01 0.00 0.00 57.00 57.20 2k3k n GLN 33 Cb 0.48 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.25 2k3k n GLN 33 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2k3k n PHE 34 N -1.24 0.00 0.00 1.08 1.16 -1.03 -4.98 117.46 112.45 2k3k n PHE 34 Ca 0.13 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.39 2k3k n PHE 34 Cb 0.18 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 2k3k n PHE 34 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k3k n GLY 35 N -0.18 -0.99 3.69 4.97 0.00 -0.91 -4.12 105.19 107.65 2k3k n GLY 35 Ca 0.05 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.43 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 2.65 -2.08 1.61 -0.06 -1.04 -3.69 117.38 114.77 2k3k n GLN 36 Ca 0.00 0.97 -0.34 0.00 -2.00 0.00 0.00 57.00 55.63 2k3k n GLN 36 Cb 0.00 -2.84 0.01 0.00 -4.06 0.00 0.00 30.24 23.35 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 2.70 3.36 -0.12 1.69 1.01 -1.26 -1.20 121.20 127.38 2k3k s ILE 37 Ca 0.83 0.74 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 2k3k s ILE 37 Cb -0.53 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2k3k s ILE 37 CO 0.39 -0.29 -0.15 -0.11 0.00 0.00 0.00 174.94 174.79 2k3k n LEU 38 N -1.76 1.11 -3.70 2.97 0.00 0.63 -4.53 117.00 111.72 2k3k n LEU 38 Ca 0.10 0.12 -0.10 0.00 0.00 0.00 0.00 56.01 56.13 2k3k n LEU 38 Cb 0.52 -0.35 -0.05 0.00 0.00 0.00 0.00 43.42 43.54 2k3k n LEU 38 CO 0.45 0.30 0.17 -0.62 0.00 0.00 0.00 177.39 177.69 2k3k s ASP 39 N -5.94 -0.21 0.00 1.96 2.15 -0.61 -5.00 116.67 109.03 2k3k s ASP 39 Ca -0.16 -0.43 0.01 0.00 0.43 0.00 0.00 52.55 52.39 2k3k s ASP 39 Cb 0.06 0.50 -0.00 0.00 -0.30 0.00 0.00 42.92 43.18 2k3k s ASP 39 CO 0.21 -0.92 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.65 2k3k s ILE 40 N -3.84 0.15 -0.22 4.11 1.01 -1.26 -0.46 121.20 120.69 2k3k s ILE 40 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2k3k s ILE 40 Cb 0.01 -0.15 0.08 0.00 0.01 0.00 0.00 42.46 42.40 2k3k s ILE 40 CO -0.08 -0.02 0.11 -0.69 0.00 0.00 0.00 174.94 174.26 2k3k s VAL 41 N -0.21 -0.08 0.04 2.92 1.01 -0.01 -4.99 120.40 119.08 2k3k s VAL 41 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2k3k s VAL 41 Cb -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2k3k s VAL 41 CO -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 175.10 174.56 2k3k s ALA 42 N 2.13 0.61 0.17 5.51 0.00 -1.26 -0.55 121.76 128.37 2k3k s ALA 42 Ca 0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2k3k s ALA 42 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2k3k s ALA 42 CO -0.20 0.02 0.18 -0.51 0.00 0.00 0.00 175.76 175.24 2k3k s LEU 43 N -1.38 1.21 0.00 0.00 1.43 -1.26 -4.98 118.68 113.70 2k3k s LEU 43 Ca -0.08 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.09 2k3k s LEU 43 Cb -0.09 0.70 0.77 0.00 0.03 0.00 0.00 46.19 47.60 2k3k s LEU 43 CO 0.00 -0.85 1.57 0.29 0.23 0.00 0.00 176.35 177.59 2k3k n LYS 44 N -0.21 1.82 -1.54 1.70 5.02 -1.26 -4.10 118.16 119.58 2k3k n LYS 44 Ca -0.03 -1.22 -0.36 0.00 -2.02 0.00 0.00 58.31 54.68 2k3k n LYS 44 Cb 0.64 -1.43 0.09 0.00 -0.02 0.00 0.00 35.03 34.31 2k3k n LYS 44 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2k3k n THR 45 N 0.45 4.07 -0.29 -0.18 -2.24 -1.26 -4.77 114.28 110.06 2k3k n THR 45 Ca 0.17 -0.41 0.02 0.00 -2.27 0.00 0.00 64.05 61.56 2k3k n THR 45 Cb 0.38 -1.39 0.16 0.00 -2.10 0.00 0.00 70.33 67.37 2k3k n THR 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3k h LEU 46 N 0.10 0.69 -2.70 3.22 5.85 -2.00 -0.17 115.31 120.29 2k3k h LEU 46 Ca -0.49 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2k3k h LEU 46 Cb 1.33 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k3k h LEU 46 CO 0.51 0.40 0.03 0.50 -0.34 0.00 0.00 178.44 179.54 2k3k h LYS 47 N 0.81 0.00 -0.08 1.25 3.64 -1.95 -2.29 116.57 117.95 2k3k h LYS 47 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2k3k h LYS 47 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k3k h LYS 47 CO -0.23 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.62 2k3k n MET 48 N -3.40 2.86 -0.19 1.90 2.81 -0.18 -4.35 117.12 116.56 2k3k n MET 48 Ca -0.03 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.16 2k3k n MET 48 Cb 0.11 -1.11 0.09 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.45 0.14 -0.13 0.03 2.43 -0.68 -3.19 114.38 113.43 2k3k h ARG 49 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2k3k h ARG 49 Cb 0.60 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 29.89 2k3k h ARG 49 CO 0.00 0.09 -0.79 0.41 -1.51 0.00 0.00 179.97 178.18 2k3k n GLY 50 N -1.35 3.51 3.10 2.80 0.00 -1.26 -4.15 105.19 107.83 2k3k n GLY 50 Ca 0.08 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 2k3k n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3k s GLN 51 N -2.20 0.62 0.18 1.61 -0.21 -1.21 -1.13 119.66 117.33 2k3k s GLN 51 Ca 0.37 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.43 2k3k s GLN 51 Cb 0.38 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.63 2k3k s GLN 51 CO -0.09 -0.12 0.46 0.00 -2.12 0.00 0.00 175.29 173.42 2k3k s ALA 52 N -3.80 -0.77 0.12 6.09 0.00 -0.83 -4.62 121.76 117.95 2k3k s ALA 52 Ca 0.06 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2k3k s ALA 52 Cb 0.07 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 2k3k s ALA 52 CO -0.10 -0.75 -0.18 -0.06 0.00 0.00 0.00 175.76 174.67 2k3k s PHE 53 N -3.88 1.68 -0.14 0.00 0.08 0.29 -0.58 117.98 115.44 2k3k s PHE 53 Ca 0.10 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 2k3k s PHE 53 Cb 0.00 -0.89 0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2k3k s PHE 53 CO -0.04 0.22 0.36 0.54 -0.10 0.00 0.00 175.22 176.20 2k3k s VAL 54 N -1.57 -0.01 -0.09 -0.44 0.11 -0.90 -0.83 120.40 116.67 2k3k s VAL 54 Ca 0.09 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2k3k s VAL 54 Cb -0.08 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2k3k s VAL 54 CO 0.05 0.02 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.17 2k3k s ILE 55 N 0.62 4.00 0.36 7.04 1.09 0.39 -1.45 121.20 133.26 2k3k s ILE 55 Ca -0.03 -0.36 0.09 0.00 -1.10 0.00 0.00 60.65 59.24 2k3k s ILE 55 Cb -0.05 -2.68 -0.07 0.00 -1.06 0.00 0.00 42.46 38.61 2k3k s ILE 55 CO -0.04 0.58 -0.05 -0.36 -0.10 0.00 0.00 174.94 174.97 2k3k s PHE 56 N -0.61 2.46 0.36 3.97 0.40 -0.34 -0.27 117.98 123.94 2k3k s PHE 56 Ca 0.10 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 2k3k s PHE 56 Cb -0.12 -1.51 0.69 0.00 0.51 0.00 0.00 43.02 42.59 2k3k s PHE 56 CO 0.02 0.53 1.93 0.87 0.70 0.00 0.00 175.22 179.26 2k3k h LYS 57 N 1.91 0.50 -3.74 0.44 1.79 -1.39 -3.41 116.57 112.67 2k3k h LYS 57 Ca -0.43 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 57.84 2k3k h LYS 57 Cb 1.25 -0.08 -0.17 0.00 -1.58 0.00 0.00 32.23 31.64 2k3k h LYS 57 CO 0.73 0.48 -0.49 -1.21 -1.08 0.00 0.00 179.45 177.88 2k3k s GLU 58 N -5.07 0.62 0.46 3.15 2.02 -1.26 -5.05 118.70 113.57 2k3k s GLU 58 Ca -0.07 -0.73 0.16 0.00 0.02 0.00 0.00 54.97 54.34 2k3k s GLU 58 Cb 0.16 0.25 1.09 0.00 0.10 0.00 0.00 34.13 35.73 2k3k s GLU 58 CO 0.75 -0.16 2.02 -0.84 0.02 0.00 0.00 175.26 177.05 2k3k h ILE 59 N 3.57 1.04 -0.29 -1.63 3.07 -1.87 -1.70 117.51 119.70 2k3k h ILE 59 Ca -0.32 -0.55 -0.17 0.00 1.55 0.00 0.00 64.86 65.36 2k3k h ILE 59 Cb 1.19 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 39.04 2k3k h ILE 59 CO 0.50 0.15 -0.50 1.23 -1.05 0.00 0.00 178.15 178.49 2k3k h GLY 60 N 0.52 0.89 0.96 0.16 0.00 -1.97 -1.33 103.07 102.30 2k3k h GLY 60 Ca -0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 47.33 46.29 2k3k h GLY 60 CO 0.02 0.89 0.13 1.76 0.00 0.00 0.00 176.54 179.34 2k3k h SER 61 N 0.64 0.71 -0.16 0.19 0.02 -1.75 -0.13 113.55 113.06 2k3k h SER 61 Ca 0.03 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2k3k h SER 61 Cb 1.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k3k h SER 61 CO 0.11 0.74 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 2k3k h ALA 62 N 0.99 0.14 -0.73 3.77 0.00 -1.30 -1.19 119.26 120.95 2k3k h ALA 62 Ca 0.15 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2k3k h ALA 62 Cb 0.30 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2k3k h ALA 62 CO -0.00 -0.44 0.47 0.77 0.00 0.00 0.00 179.25 180.05 2k3k h SER 63 N 0.06 0.79 -0.27 0.00 0.02 -0.90 -0.46 113.55 112.78 2k3k h SER 63 Ca 0.07 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2k3k h SER 63 Cb 0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k3k h SER 63 CO -0.12 0.55 -0.15 -1.13 -1.14 0.00 0.00 176.83 174.84 2k3k h ASN 64 N 0.93 0.61 -0.16 3.07 -1.24 -0.77 -1.12 115.58 116.90 2k3k h ASN 64 Ca 0.28 -0.42 0.03 0.00 0.71 0.00 0.00 56.30 56.90 2k3k h ASN 64 Cb -0.03 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 2k3k h ASN 64 CO -0.09 0.90 -0.01 0.00 -1.29 0.00 0.00 177.43 176.94 2k3k h ALA 65 N 0.73 0.13 0.32 1.57 0.00 -1.03 -0.24 119.26 120.73 2k3k h ALA 65 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k3k h ALA 65 Cb 0.68 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2k3k h ALA 65 CO 0.04 -0.45 -0.42 1.25 0.00 0.00 0.00 179.25 179.67 2k3k h LEU 66 N 0.04 -1.17 -0.37 0.00 6.46 -0.93 -1.07 115.31 118.27 2k3k h LEU 66 Ca 0.07 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2k3k h LEU 66 Cb 0.10 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2k3k h LEU 66 CO -0.14 -0.54 0.16 -0.09 -0.62 0.00 0.00 178.44 177.21 2k3k h ARG 67 N -0.78 0.54 -0.68 1.25 2.43 -1.10 0.39 114.38 116.43 2k3k h ARG 67 Ca -0.02 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2k3k h ARG 67 Cb 0.73 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2k3k h ARG 67 CO -0.12 0.51 0.45 1.15 -1.51 0.00 0.00 179.97 180.44 2k3k h THR 68 N 0.45 1.14 -0.01 0.20 2.02 -0.85 -2.87 112.91 113.00 2k3k h THR 68 Ca 0.12 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2k3k h THR 68 Cb 0.16 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2k3k h THR 68 CO -0.01 0.16 -0.76 0.23 0.37 0.00 0.00 175.52 175.51 2k3k n MET 69 N -4.44 0.49 -1.68 6.66 2.81 -0.42 -4.74 117.12 115.80 2k3k n MET 69 Ca 0.08 -0.40 -0.44 0.00 -1.81 0.00 0.00 57.70 55.12 2k3k n MET 69 Cb 0.07 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.05 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 -0.91 2.60 -0.74 0.03 -0.06 0.10 -1.37 117.38 117.03 2k3k n GLN 70 Ca 0.06 0.95 0.00 0.00 -2.00 0.00 0.00 57.00 56.01 2k3k n GLN 70 Cb 0.38 -2.83 0.00 0.00 -4.06 0.00 0.00 30.24 23.73 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 4.27 0.71 3.74 1.69 0.00 -0.15 -4.96 105.19 110.49 2k3k n GLY 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.77 3.44 -1.20 1.61 5.36 -0.47 -4.32 117.98 119.63 2k3k s PHE 72 Ca 0.00 1.48 -0.20 0.00 -0.96 0.00 0.00 56.93 57.25 2k3k s PHE 72 Cb 0.00 -3.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 2k3k s PHE 72 CO 0.00 -1.09 1.91 -0.35 -1.46 0.00 0.00 175.22 174.23 2k3k n PRO 73 N 2.23 2.33 -0.34 10.12 -0.04 -1.26 -0.74 135.00 147.31 2k3k n PRO 73 Ca 0.03 -2.66 0.02 0.00 -0.04 0.00 0.00 63.50 60.85 2k3k n PRO 73 Cb 0.45 -3.44 0.17 0.00 -0.04 0.00 0.00 33.50 30.63 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 8.05 1.08 -0.30 0.54 3.57 -1.92 -3.46 116.94 124.51 2k3k h PHE 74 Ca 0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2k3k h PHE 74 Cb 0.82 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k3k h PHE 74 CO 1.33 0.53 0.00 0.66 -2.23 0.00 0.00 178.31 178.60 2k3k n TYR 75 N -4.58 0.00 0.36 0.41 4.01 -1.26 -5.01 117.16 111.09 2k3k n TYR 75 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2k3k n TYR 75 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.67 -3.85 7.72 2.03 -1.26 -4.53 116.55 117.34 2k3k n ASP 76 Ca 0.00 -0.72 -0.13 0.00 0.52 0.00 0.00 54.79 54.46 2k3k n ASP 76 Cb 0.00 -0.18 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.30 0.01 0.04 -0.67 1.02 -1.26 -5.06 119.74 113.52 2k3k s LYS 77 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 2k3k s LYS 77 Cb 0.00 -0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.16 2k3k s LYS 77 CO 0.00 -0.04 1.34 -1.25 -0.92 0.00 0.00 175.35 174.48 2k3k s PRO 78 N 0.31 4.33 0.61 -1.68 0.04 -1.26 -3.54 135.00 133.80 2k3k s PRO 78 Ca -0.03 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 2k3k s PRO 78 Cb -0.04 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2k3k s PRO 78 CO -0.01 -0.47 1.25 -1.64 0.04 0.00 0.00 177.00 176.17 2k3k s MET 79 N 1.79 2.85 -0.06 4.56 -1.94 0.08 -4.85 119.30 121.74 2k3k s MET 79 Ca 0.62 1.94 0.01 0.00 -1.71 0.00 0.00 55.69 56.56 2k3k s MET 79 Cb -0.32 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.61 2k3k s MET 79 CO 0.28 -1.33 -0.08 -0.65 -0.01 0.00 0.00 175.02 173.23 2k3k s GLN 80 N -3.30 1.24 0.04 2.03 -0.21 -1.26 -0.98 119.66 117.22 2k3k s GLN 80 Ca 0.79 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.93 2k3k s GLN 80 Cb -0.34 -1.13 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 2k3k s GLN 80 CO 0.36 -0.05 -0.04 0.42 -2.12 0.00 0.00 175.29 173.86 2k3k s ILE 81 N 0.87 0.28 0.11 1.08 1.01 -1.26 -0.58 121.20 122.71 2k3k s ILE 81 Ca -0.11 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.24 2k3k s ILE 81 Cb -0.15 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 2k3k s ILE 81 CO 0.01 -0.62 0.13 0.00 0.00 0.00 0.00 174.94 174.46 2k3k s ALA 82 N -2.21 0.33 0.21 9.38 0.00 -0.22 -5.00 121.76 124.26 2k3k s ALA 82 Ca -0.07 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2k3k s ALA 82 Cb -0.04 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 2k3k s ALA 82 CO -0.03 -0.51 1.13 1.52 0.00 0.00 0.00 175.76 177.86 2k3k s TYR 83 N -3.96 3.54 0.75 0.00 1.13 -1.26 -0.57 117.35 116.98 2k3k s TYR 83 Ca 0.15 1.59 -0.14 0.00 -1.41 0.00 0.00 57.07 57.25 2k3k s TYR 83 Cb 0.06 -3.32 0.05 0.00 -1.10 0.00 0.00 41.96 37.65 2k3k s TYR 83 CO -0.04 -0.75 1.18 -1.12 -2.51 0.00 0.00 175.55 172.31 2k3k s SER 84 N -0.30 4.15 0.14 -0.18 0.01 -0.73 -4.75 113.70 112.03 2k3k s SER 84 Ca 0.49 2.25 -0.06 0.00 1.31 0.00 0.00 55.95 59.94 2k3k s SER 84 Cb -0.31 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 2k3k s SER 84 CO 0.38 -2.29 0.17 -0.54 0.41 0.00 0.00 173.24 171.37 2k3k s LYS 85 N -4.10 1.02 0.03 12.44 1.02 -1.26 -4.97 119.74 123.91 2k3k s LYS 85 Ca 0.71 -1.26 -0.35 0.00 0.02 0.00 0.00 55.97 55.09 2k3k s LYS 85 Cb -0.26 0.31 -0.14 0.00 -0.52 0.00 0.00 37.83 37.22 2k3k s LYS 85 CO 0.47 -0.33 1.62 0.43 -0.92 0.00 0.00 175.35 176.62 2k3k n SER 86 N -0.14 2.77 -3.72 2.83 7.64 -1.26 -4.97 113.62 116.78 2k3k n SER 86 Ca -0.08 1.06 -0.13 0.00 1.01 0.00 0.00 58.87 60.73 2k3k n SER 86 Cb 0.63 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 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 1.93 -0.44 0.36 6.43 -1.08 -1.26 -5.06 116.67 117.55 2k3k s ASP 87 Ca 0.86 0.79 0.24 0.00 -0.52 0.00 0.00 52.55 53.91 2k3k s ASP 87 Cb -0.79 0.82 1.28 0.00 -1.46 0.00 0.00 42.92 42.77 2k3k s ASP 87 CO 0.47 -0.22 1.72 0.28 0.52 0.00 0.00 175.17 177.94 2k3k h SER 88 N 5.11 0.00 0.07 -0.34 0.02 -1.98 -0.25 113.55 116.18 2k3k h SER 88 Ca -0.27 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 2k3k h SER 88 Cb 1.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.73 2k3k h SER 88 CO 0.25 0.00 -0.42 -0.78 -1.14 0.00 0.00 176.83 174.75 2k3k h ASP 89 N 0.00 0.25 0.55 3.07 3.58 -1.97 -2.89 116.42 119.01 2k3k h ASP 89 Ca 0.00 -0.96 -0.18 0.00 0.42 0.00 0.00 57.03 56.30 2k3k h ASP 89 Cb 0.04 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2k3k h ASP 89 CO 0.00 1.19 -0.81 0.16 -2.88 0.00 0.00 179.24 176.90 2k3k h ILE 90 N -0.66 1.48 -0.64 2.25 3.07 -1.70 -0.75 117.51 120.55 2k3k h ILE 90 Ca -0.07 -2.49 -0.06 0.00 1.55 0.00 0.00 64.86 63.78 2k3k h ILE 90 Cb 1.32 2.37 -0.03 0.00 -0.27 0.00 0.00 36.82 40.21 2k3k h ILE 90 CO 0.08 0.73 0.15 0.58 -1.05 0.00 0.00 178.15 178.64 2k3k h VAL 91 N 0.11 1.26 -0.69 0.16 2.07 -1.24 -1.41 116.25 116.51 2k3k h VAL 91 Ca -0.03 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2k3k h VAL 91 Cb 1.42 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2k3k h VAL 91 CO 0.12 0.35 0.23 0.00 0.02 0.00 0.00 177.57 178.29 2k3k h ALA 92 N 1.05 1.10 0.13 1.67 0.00 -1.27 -0.47 119.26 121.47 2k3k h ALA 92 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k3k h ALA 92 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k3k h ALA 92 CO 0.00 0.62 -0.20 -0.22 0.00 0.00 0.00 179.25 179.45 2k3k h LYS 93 N 1.02 -0.38 0.00 0.00 3.64 -0.67 -0.32 116.57 119.85 2k3k h LYS 93 Ca 0.23 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2k3k h LYS 93 Cb 0.27 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2k3k h LYS 93 CO -0.01 -0.26 -0.39 -0.84 -2.27 0.00 0.00 179.45 175.68 2k3k h ILE 94 N -0.40 1.02 -0.29 2.00 3.07 -1.09 -2.39 117.51 119.43 2k3k h ILE 94 Ca 0.02 -1.48 -0.01 0.00 1.55 0.00 0.00 64.86 64.94 2k3k h ILE 94 Cb 0.41 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 2k3k h ILE 94 CO -0.10 0.38 0.14 0.50 -1.05 0.00 0.00 178.15 178.03 2k3k h LYS 95 N 0.00 0.42 0.00 0.16 3.64 -0.81 -3.48 116.57 116.51 2k3k h LYS 95 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2k3k h LYS 95 Cb 0.83 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2k3k h LYS 95 CO 0.05 0.40 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 2k3k n GLY 96 N -0.85 0.43 2.74 5.01 0.00 -0.20 -5.09 105.19 107.22 2k3k n GLY 96 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3k s THR 97 N 0.00 -0.32 0.32 2.61 2.01 -0.77 -4.94 115.64 114.55 2k3k s THR 97 Ca 0.00 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.86 2k3k s THR 97 Cb 0.00 -0.75 0.31 0.00 0.01 0.00 0.00 72.50 72.07 2k3k s THR 97 CO 0.00 -0.28 1.80 -0.26 -0.69 0.00 0.00 174.62 175.19 2k3k h PHE 98 N 8.31 0.98 -0.15 4.92 0.04 -1.89 -1.74 116.94 127.42 2k3k h PHE 98 Ca -0.17 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 2k3k h PHE 98 Cb 1.13 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 2k3k h PHE 98 CO 0.17 0.26 -0.24 -0.22 -0.60 0.00 0.00 178.31 177.68 2k3k h LYS 99 N 0.74 0.26 -6.30 1.51 3.64 -1.96 -3.41 116.57 111.05 2k3k h LYS 99 Ca 0.54 -0.08 -0.58 0.00 -1.27 0.00 0.00 60.65 59.26 2k3k h LYS 99 Cb 0.88 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 2k3k h LYS 99 CO -0.32 0.49 0.72 -2.00 -2.27 0.00 0.00 179.45 176.06 2k3k s GLU 100 N -4.50 3.76 0.50 1.90 2.12 -0.65 -5.02 118.70 116.81 2k3k s GLU 100 Ca -0.05 0.54 -0.23 0.00 0.36 0.00 0.00 54.97 55.58 2k3k s GLU 100 Cb 0.15 -3.85 -0.06 0.00 0.26 0.00 0.00 34.13 30.62 2k3k s GLU 100 CO 0.75 -1.13 1.39 1.03 -0.54 0.00 0.00 175.26 176.77 2k3k s ARG 101 N 3.83 3.37 0.45 4.30 1.81 -1.26 -4.67 118.95 126.78 2k3k s ARG 101 Ca 0.41 2.33 0.24 0.00 -1.72 0.00 0.00 55.73 56.99 2k3k s ARG 101 Cb -0.10 -2.43 1.24 0.00 -0.45 0.00 0.00 34.95 33.20 2k3k s ARG 101 CO 0.24 -1.04 1.80 -1.35 -0.68 0.00 0.00 175.30 174.27 2k3k h PRO 102 N 1.84 0.26 -0.52 3.54 0.11 -1.92 -0.86 132.00 134.44 2k3k h PRO 102 Ca -0.51 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.22 2k3k h PRO 102 Cb 1.29 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 31.95 2k3k h PRO 102 CO 0.59 0.17 -0.92 1.17 -0.21 0.00 0.00 178.00 178.80 2k3k n LYS 103 N -4.48 2.52 0.00 1.05 4.81 -1.26 -5.07 118.16 115.73 2k3k n LYS 103 Ca 0.24 -3.72 0.00 0.00 -0.87 0.00 0.00 58.31 53.96 2k3k n LYS 103 Cb 0.95 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74