#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 1.71 0.30 0.03 8.01 -1.26 -4.97 118.70 122.52 2k3k s GLU 2 Ca 0.00 -1.98 -0.29 0.00 0.01 0.00 0.00 54.97 52.71 2k3k s GLU 2 Cb 0.00 -0.70 -0.10 0.00 -4.31 0.00 0.00 34.13 29.03 2k3k s GLU 2 CO 0.00 -0.30 1.18 0.00 0.01 0.00 0.00 175.26 176.15 2k3k s MET 3 N -3.86 4.52 -0.34 1.61 0.23 -1.26 -4.53 119.30 115.68 2k3k s MET 3 Ca 0.32 1.96 -0.00 0.00 -1.03 0.00 0.00 55.69 56.94 2k3k s MET 3 Cb 0.07 -3.13 0.11 0.00 -1.53 0.00 0.00 34.83 30.34 2k3k s MET 3 CO 0.15 0.05 0.13 -0.51 -2.03 0.00 0.00 175.02 172.81 2k3k s LEU 4 N -1.61 2.10 -0.38 0.18 1.02 -1.26 -5.07 118.68 113.66 2k3k s LEU 4 Ca 0.46 -1.84 -0.35 0.00 0.02 0.00 0.00 54.13 52.42 2k3k s LEU 4 Cb -0.35 -0.82 -0.12 0.00 0.02 0.00 0.00 46.19 44.92 2k3k s LEU 4 CO 0.45 -0.38 2.21 -2.65 0.02 0.00 0.00 176.35 176.00 2k3k n PRO 5 N 4.57 0.99 0.00 1.29 -0.02 -1.26 -4.72 135.00 135.85 2k3k n PRO 5 Ca 0.01 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2k3k n PRO 5 Cb 0.40 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2k3k n PRO 5 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2k3k n ASN 6 N 9.96 0.00 0.00 2.55 0.23 -1.26 -4.99 115.26 121.74 2k3k n ASN 6 Ca 0.43 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 2k3k n ASN 6 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 2k3k n ASN 6 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2k3k n GLN 7 N 0.00 0.00 -4.13 -3.83 7.27 -1.26 -4.92 117.38 110.50 2k3k n GLN 7 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2k3k n GLN 7 Cb 0.26 -1.22 -0.11 0.00 2.41 0.00 0.00 30.24 31.58 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 -2.83 0.75 0.19 1.69 2.01 -1.26 -0.96 115.64 115.24 2k3k s THR 8 Ca 0.00 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.57 2k3k s THR 8 Cb 0.00 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 2k3k s THR 8 CO 0.00 -0.53 -0.02 0.27 -0.69 0.00 0.00 174.62 173.65 2k3k s ILE 9 N -2.20 0.95 -0.07 1.82 -4.36 -0.44 -3.79 121.20 113.11 2k3k s ILE 9 Ca 0.00 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 2k3k s ILE 9 Cb -0.04 -2.17 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 2k3k s ILE 9 CO -0.01 -0.46 -0.24 -0.47 0.24 0.00 0.00 174.94 174.00 2k3k s TYR 10 N -3.47 2.41 -0.02 1.37 5.04 0.15 -2.49 117.35 120.34 2k3k s TYR 10 Ca 0.24 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 54.10 2k3k s TYR 10 Cb 0.05 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.74 2k3k s TYR 10 CO 0.05 -0.30 -0.24 0.42 -1.34 0.00 0.00 175.55 174.14 2k3k s ILE 11 N 0.09 1.93 0.30 3.14 1.01 -0.03 -1.39 121.20 126.25 2k3k s ILE 11 Ca -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.47 2k3k s ILE 11 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2k3k s ILE 11 CO 0.06 0.54 0.40 0.54 0.00 0.00 0.00 174.94 176.48 2k3k s ASN 12 N -0.52 0.70 -2.01 3.58 2.20 -0.13 -1.04 114.94 117.71 2k3k s ASN 12 Ca 0.08 -1.40 0.00 0.00 -0.94 0.00 0.00 52.86 50.60 2k3k s ASN 12 Cb -0.10 0.59 0.00 0.00 -2.00 0.00 0.00 41.25 39.75 2k3k s ASN 12 CO -0.00 -1.17 0.00 -3.20 -2.94 0.00 0.00 177.10 169.78 2k3k n ASN 13 N -1.06 -5.75 -4.75 3.54 5.15 -1.09 -2.10 115.26 109.20 2k3k n ASN 13 Ca 0.01 0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.83 2k3k n ASN 13 Cb 0.62 -4.92 -0.03 0.00 -0.53 0.00 0.00 39.78 34.92 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 -5.43 4.48 -0.19 1.20 0.20 -0.70 -4.70 118.68 113.54 2k3k s LEU 14 Ca 0.00 2.37 -0.29 0.00 0.69 0.00 0.00 54.13 56.90 2k3k s LEU 14 Cb 0.00 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.10 2k3k s LEU 14 CO 0.00 -0.35 1.76 0.21 -0.29 0.00 0.00 176.35 177.68 2k3k s ASN 15 N -0.32 6.24 0.07 3.68 3.84 -1.26 -4.42 114.94 122.77 2k3k s ASN 15 Ca 0.50 1.79 0.05 0.00 0.21 0.00 0.00 52.86 55.41 2k3k s ASN 15 Cb -0.35 -2.53 0.27 0.00 -0.55 0.00 0.00 41.25 38.10 2k3k s ASN 15 CO 0.42 -1.35 1.16 -1.84 -2.79 0.00 0.00 177.10 172.70 2k3k n GLU 16 N 7.83 0.03 0.25 0.43 0.28 -1.26 -1.61 120.64 126.58 2k3k n GLU 16 Ca 0.21 0.52 0.12 0.00 -0.16 0.00 0.00 57.16 57.85 2k3k n GLU 16 Cb 0.45 -1.60 0.62 0.00 1.43 0.00 0.00 31.44 32.34 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2k3k h LYS 17 N 0.00 0.00 -6.54 3.44 2.10 -1.94 -3.43 116.57 110.20 2k3k h LYS 17 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2k3k h LYS 17 Cb 0.01 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.28 2k3k h LYS 17 CO 0.00 0.15 0.92 0.42 -2.00 0.00 0.00 179.45 178.94 2k3k s ILE 18 N -3.91 4.27 0.99 0.07 -1.09 -0.63 -5.03 121.20 115.87 2k3k s ILE 18 Ca -0.01 1.37 -0.12 0.00 -2.23 0.00 0.00 60.65 59.66 2k3k s ILE 18 Cb 0.12 -4.48 0.18 0.00 -1.58 0.00 0.00 42.46 36.70 2k3k s ILE 18 CO 0.60 -0.78 1.09 -1.59 -1.23 0.00 0.00 174.94 173.03 2k3k s LYS 19 N 4.22 0.50 0.17 2.79 -2.85 -1.26 -4.74 119.74 118.56 2k3k s LYS 19 Ca 0.49 0.57 -0.15 0.00 -1.00 0.00 0.00 55.97 55.88 2k3k s LYS 19 Cb -0.10 -1.74 0.12 0.00 -2.06 0.00 0.00 37.83 34.05 2k3k s LYS 19 CO 0.26 -2.70 1.72 -0.22 0.10 0.00 0.00 175.35 174.51 2k3k h LYS 20 N -1.87 0.20 -0.65 1.78 3.64 -1.93 0.40 116.57 118.13 2k3k h LYS 20 Ca -0.54 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2k3k h LYS 20 Cb 1.32 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2k3k h LYS 20 CO 0.57 0.13 0.34 1.49 -2.27 0.00 0.00 179.45 179.71 2k3k h GLU 21 N 0.21 0.92 -0.19 1.90 4.81 -1.98 -0.12 114.58 120.14 2k3k h GLU 21 Ca 0.20 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 2k3k h GLU 21 Cb 0.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k3k h GLU 21 CO -0.27 0.71 -0.51 0.93 -0.73 0.00 0.00 179.01 179.14 2k3k h GLU 22 N 0.90 0.53 -0.01 1.92 4.39 -1.72 -0.05 114.58 120.54 2k3k h GLU 22 Ca 0.23 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2k3k h GLU 22 Cb 0.07 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k3k h GLU 22 CO -0.03 0.91 -0.01 1.25 -1.16 0.00 0.00 179.01 179.97 2k3k h LEU 23 N 0.41 -0.02 -0.03 1.33 7.12 -0.61 0.45 115.31 123.96 2k3k h LEU 23 Ca 0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2k3k h LEU 23 Cb 1.04 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2k3k h LEU 23 CO 0.10 -0.01 0.01 0.11 -0.13 0.00 0.00 178.44 178.51 2k3k h LYS 24 N -0.01 0.02 -0.49 1.25 1.57 -0.76 -0.77 116.57 117.39 2k3k h LYS 24 Ca 0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2k3k h LYS 24 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2k3k h LYS 24 CO -0.01 0.02 0.28 0.87 -0.57 0.00 0.00 179.45 180.03 2k3k h LYS 25 N 0.02 0.54 -0.32 3.15 1.79 -0.89 -1.08 116.57 119.78 2k3k h LYS 25 Ca 0.01 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2k3k h LYS 25 Cb 0.01 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2k3k h LYS 25 CO -0.01 0.36 0.10 0.77 -1.08 0.00 0.00 179.45 179.59 2k3k h SER 26 N 0.56 0.47 0.13 0.86 0.02 -0.58 0.72 113.55 115.72 2k3k h SER 26 Ca 0.20 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3k h SER 26 Cb 0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2k3k h SER 26 CO -0.10 0.55 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.96 2k3k h LEU 27 N 0.37 -0.27 -1.61 5.07 3.38 -0.93 -1.39 115.31 119.92 2k3k h LEU 27 Ca 0.10 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k3k h LEU 27 Cb 0.25 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2k3k h LEU 27 CO -0.00 -0.17 -0.02 1.88 0.09 0.00 0.00 178.44 180.22 2k3k h TYR 28 N -0.25 0.22 -0.42 1.13 0.05 -1.05 -0.31 116.97 116.34 2k3k h TYR 28 Ca -0.00 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 2k3k h TYR 28 Cb 0.23 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2k3k h TYR 28 CO -0.11 0.25 -0.28 0.00 -1.05 0.00 0.00 178.16 176.98 2k3k h ALA 29 N 1.77 0.60 0.00 3.88 0.00 -0.17 -3.39 119.26 121.95 2k3k h ALA 29 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k3k h ALA 29 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k3k h ALA 29 CO 0.01 0.63 -0.59 0.44 0.00 0.00 0.00 179.25 179.73 2k3k n ILE 30 N -4.13 0.00 -0.21 0.00 -5.35 -0.59 -4.75 119.36 104.33 2k3k n ILE 30 Ca -0.01 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.43 2k3k n ILE 30 Cb 0.49 -0.36 0.15 0.00 -1.74 0.00 0.00 39.64 38.18 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 1.02 -0.01 4.28 -1.00 -1.21 -2.54 116.94 117.47 2k3k h PHE 31 Ca 0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2k3k h PHE 31 Cb 0.59 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 2k3k h PHE 31 CO 0.00 0.78 0.16 0.77 -1.61 0.00 0.00 178.31 178.41 2k3k h SER 32 N 0.99 0.00 0.44 2.17 0.02 -1.58 -0.03 113.55 115.56 2k3k h SER 32 Ca 0.23 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2k3k h SER 32 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k3k h SER 32 CO -0.02 0.00 -0.22 1.56 -1.14 0.00 0.00 176.83 177.01 2k3k h GLN 33 N 0.00 0.00 0.00 3.45 4.20 -1.75 -3.26 115.11 117.76 2k3k h GLN 33 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k3k h GLN 33 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2k3k h GLN 33 CO -0.00 0.22 -1.04 1.19 -0.67 0.00 0.00 178.83 178.53 2k3k n PHE 34 N -3.78 0.00 -3.26 2.96 3.72 -0.15 -4.91 117.46 112.04 2k3k n PHE 34 Ca -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 2k3k n PHE 34 Cb 0.32 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.22 -0.68 0.02 1.37 0.00 -0.49 -3.82 107.32 101.50 2k3k s GLY 35 Ca -0.00 1.26 -0.33 0.00 0.00 0.00 0.00 44.72 45.65 2k3k s GLY 35 CO 0.03 3.00 1.84 -0.18 0.00 0.00 0.00 173.10 177.80 2k3k n GLN 36 N 5.39 2.45 -1.88 2.90 -0.06 -1.23 -3.63 117.38 121.32 2k3k n GLN 36 Ca -0.02 0.89 -0.33 0.00 -2.00 0.00 0.00 57.00 55.54 2k3k n GLN 36 Cb 0.51 -2.76 0.03 0.00 -4.06 0.00 0.00 30.24 23.96 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 3.35 3.41 0.00 1.69 1.01 -1.26 -1.41 121.20 127.99 2k3k s ILE 37 Ca 0.87 0.67 0.00 0.00 0.00 0.00 0.00 60.65 62.20 2k3k s ILE 37 Cb -0.59 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2k3k s ILE 37 CO 0.44 -0.39 0.00 -0.11 0.00 0.00 0.00 174.94 174.88 2k3k n LEU 38 N -2.23 2.06 -3.59 2.97 7.94 0.66 -4.51 117.00 120.30 2k3k n LEU 38 Ca 0.10 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.89 2k3k n LEU 38 Cb 0.52 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 2k3k n LEU 38 CO 0.47 0.34 0.32 -0.62 -1.11 0.00 0.00 177.39 176.79 2k3k s ASP 39 N -3.64 -0.38 0.01 1.96 2.15 -0.61 -4.97 116.67 111.19 2k3k s ASP 39 Ca 0.00 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.72 2k3k s ASP 39 Cb 0.00 0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2k3k s ASP 39 CO 0.00 -1.00 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.36 2k3k s ILE 40 N -3.81 0.06 -0.10 4.11 1.01 -1.26 -0.49 121.20 120.72 2k3k s ILE 40 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2k3k s ILE 40 Cb -0.01 -0.11 0.04 0.00 0.01 0.00 0.00 42.46 42.39 2k3k s ILE 40 CO -0.08 -0.17 0.07 -0.69 0.00 0.00 0.00 174.94 174.06 2k3k s VAL 41 N -0.52 -0.04 0.19 2.92 1.01 -0.06 -4.99 120.40 118.92 2k3k s VAL 41 Ca -0.06 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2k3k s VAL 41 Cb -0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 2k3k s VAL 41 CO -0.00 -0.00 0.36 0.00 0.00 0.00 0.00 175.10 175.46 2k3k s ALA 42 N 2.13 -0.13 0.20 5.51 0.00 -1.26 -1.03 121.76 127.18 2k3k s ALA 42 Ca 0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2k3k s ALA 42 Cb -0.14 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2k3k s ALA 42 CO -0.06 -0.73 0.14 -0.51 0.00 0.00 0.00 175.76 174.60 2k3k s LEU 43 N -2.98 1.17 0.28 0.00 1.43 0.18 -4.96 118.68 113.79 2k3k s LEU 43 Ca 0.19 -1.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.02 2k3k s LEU 43 Cb 0.02 0.42 0.37 0.00 0.03 0.00 0.00 46.19 47.03 2k3k s LEU 43 CO 0.03 -0.84 1.62 0.11 0.23 0.00 0.00 176.35 177.50 2k3k h LYS 44 N 2.63 0.03 -6.79 1.70 1.79 -1.98 -3.29 116.57 110.65 2k3k h LYS 44 Ca -0.36 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.57 2k3k h LYS 44 Cb 1.25 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.98 2k3k h LYS 44 CO 0.53 0.61 0.89 0.95 -1.08 0.00 0.00 179.45 181.35 2k3k s THR 45 N -3.68 2.09 0.25 -0.16 -4.23 -1.26 -4.75 115.64 103.91 2k3k s THR 45 Ca -0.02 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 2k3k s THR 45 Cb 0.13 -3.05 0.23 0.00 1.34 0.00 0.00 72.50 71.14 2k3k s THR 45 CO 0.76 0.01 1.77 0.25 -0.54 0.00 0.00 174.62 176.88 2k3k h LEU 46 N 5.04 0.54 -2.68 4.79 5.85 -1.98 -0.05 115.31 126.83 2k3k h LEU 46 Ca -0.47 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2k3k h LEU 46 Cb 1.22 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2k3k h LEU 46 CO 0.81 0.26 0.06 0.50 -0.34 0.00 0.00 178.44 179.72 2k3k h LYS 47 N 0.65 0.00 0.00 1.25 3.64 -1.94 0.66 116.57 120.83 2k3k h LYS 47 Ca 0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2k3k h LYS 47 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2k3k h LYS 47 CO -0.33 0.00 -0.16 -1.33 -2.27 0.00 0.00 179.45 175.36 2k3k n MET 48 N -3.33 1.12 -0.01 1.90 2.81 -0.13 -4.12 117.12 115.37 2k3k n MET 48 Ca -0.02 -2.46 -0.01 0.00 -1.81 0.00 0.00 57.70 53.39 2k3k n MET 48 Cb 0.13 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 2k3k n MET 48 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2k3k n ARG 49 N -1.16 0.45 0.00 0.03 0.63 -0.32 -0.65 116.66 115.65 2k3k n ARG 49 Ca 0.14 0.01 0.14 0.00 -0.92 0.00 0.00 57.85 57.22 2k3k n ARG 49 Cb 0.67 -1.04 0.72 0.00 0.45 0.00 0.00 32.46 33.26 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3k n GLY 50 N 3.35 -1.20 3.09 5.14 0.00 0.07 -4.62 105.19 111.02 2k3k n GLY 50 Ca -0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.54 0.62 0.27 1.61 -0.21 -1.26 -1.72 119.66 116.44 2k3k s GLN 51 Ca 0.28 -1.11 -0.14 0.00 0.02 0.00 0.00 55.36 54.40 2k3k s GLN 51 Cb 0.19 0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.22 2k3k s GLN 51 CO 0.43 -0.05 0.56 0.00 -2.12 0.00 0.00 175.29 174.10 2k3k s ALA 52 N -3.17 -0.45 0.09 6.09 0.00 -0.21 -4.39 121.76 119.71 2k3k s ALA 52 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2k3k s ALA 52 Cb 0.02 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2k3k s ALA 52 CO -0.06 -0.91 -0.11 -0.06 0.00 0.00 0.00 175.76 174.63 2k3k s PHE 53 N -3.84 1.07 -0.15 0.00 0.08 -0.19 -0.85 117.98 114.09 2k3k s PHE 53 Ca 0.20 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.51 2k3k s PHE 53 Cb -0.02 -0.59 0.04 0.00 -0.57 0.00 0.00 43.02 41.88 2k3k s PHE 53 CO 0.09 0.01 0.41 0.54 -0.10 0.00 0.00 175.22 176.17 2k3k s VAL 54 N -2.13 -0.00 -0.01 -0.44 0.11 -1.04 -0.88 120.40 116.00 2k3k s VAL 54 Ca 0.03 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2k3k s VAL 54 Cb -0.05 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2k3k s VAL 54 CO 0.01 0.00 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.04 2k3k s ILE 55 N 0.31 3.37 0.42 7.04 1.09 0.36 -1.33 121.20 132.45 2k3k s ILE 55 Ca -0.01 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 2k3k s ILE 55 Cb -0.03 -2.41 -0.05 0.00 -1.06 0.00 0.00 42.46 38.91 2k3k s ILE 55 CO -0.00 0.46 0.04 -0.36 -0.10 0.00 0.00 174.94 174.98 2k3k s PHE 56 N -0.89 2.10 0.40 3.97 0.40 -0.13 -0.25 117.98 123.58 2k3k s PHE 56 Ca 0.15 -0.91 0.15 0.00 -0.60 0.00 0.00 56.93 55.71 2k3k s PHE 56 Cb -0.11 -1.52 0.90 0.00 0.51 0.00 0.00 43.02 42.80 2k3k s PHE 56 CO 0.04 0.17 1.92 0.87 0.70 0.00 0.00 175.22 178.92 2k3k h LYS 57 N 1.73 0.00 -3.21 0.44 1.79 -1.47 -3.40 116.57 112.45 2k3k h LYS 57 Ca -0.42 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.98 2k3k h LYS 57 Cb 1.27 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.77 2k3k h LYS 57 CO 0.73 0.27 -0.10 -2.00 -1.08 0.00 0.00 179.45 177.26 2k3k s GLU 58 N -4.36 0.98 0.40 3.15 2.12 -1.26 -5.03 118.70 114.69 2k3k s GLU 58 Ca -0.03 -0.53 0.09 0.00 0.36 0.00 0.00 54.97 54.86 2k3k s GLU 58 Cb 0.15 0.43 0.88 0.00 0.26 0.00 0.00 34.13 35.84 2k3k s GLU 58 CO 0.70 -0.35 1.97 -0.84 -0.54 0.00 0.00 175.26 176.20 2k3k h ILE 59 N 2.74 0.97 -0.37 -3.70 3.07 -1.89 -1.76 117.51 116.57 2k3k h ILE 59 Ca -0.32 -0.20 -0.15 0.00 1.55 0.00 0.00 64.86 65.74 2k3k h ILE 59 Cb 1.23 0.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.10 2k3k h ILE 59 CO 0.45 0.11 -0.34 1.23 -1.05 0.00 0.00 178.15 178.55 2k3k h GLY 60 N 0.59 0.97 0.98 0.16 0.00 -1.96 -1.45 103.07 102.35 2k3k h GLY 60 Ca 0.29 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2k3k h GLY 60 CO -0.09 0.88 0.26 1.76 0.00 0.00 0.00 176.54 179.34 2k3k h SER 61 N 0.70 0.63 -0.35 0.19 0.02 -1.72 0.59 113.55 113.61 2k3k h SER 61 Ca 0.06 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k3k h SER 61 Cb 0.93 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2k3k h SER 61 CO 0.09 0.56 0.22 0.00 -1.14 0.00 0.00 176.83 176.55 2k3k h ALA 62 N 1.10 0.45 -0.47 3.77 0.00 -1.26 -0.51 119.26 122.33 2k3k h ALA 62 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k3k h ALA 62 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k3k h ALA 62 CO -0.03 -0.07 0.25 0.77 0.00 0.00 0.00 179.25 180.18 2k3k h SER 63 N 0.47 0.58 -0.39 0.00 0.02 -0.93 -0.98 113.55 112.32 2k3k h SER 63 Ca 0.13 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 2k3k h SER 63 Cb -0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k3k h SER 63 CO -0.03 0.51 -0.31 -1.13 -1.14 0.00 0.00 176.83 174.74 2k3k h ASN 64 N 0.61 0.95 0.06 3.07 -1.24 -0.70 -1.53 115.58 116.79 2k3k h ASN 64 Ca 0.16 -0.44 0.01 0.00 0.71 0.00 0.00 56.30 56.74 2k3k h ASN 64 Cb 0.06 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2k3k h ASN 64 CO -0.03 1.19 -0.10 0.00 -1.29 0.00 0.00 177.43 177.21 2k3k h ALA 65 N 0.79 -0.15 -0.10 1.57 0.00 -0.99 -0.99 119.26 119.38 2k3k h ALA 65 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2k3k h ALA 65 Cb 0.89 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2k3k h ALA 65 CO 0.08 -0.61 -0.21 1.25 0.00 0.00 0.00 179.25 179.77 2k3k h LEU 66 N -0.19 -0.63 -0.56 0.00 6.46 -1.00 -0.25 115.31 119.14 2k3k h LEU 66 Ca 0.02 0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 2k3k h LEU 66 Cb 0.21 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2k3k h LEU 66 CO -0.06 -0.26 -0.66 -0.09 -0.62 0.00 0.00 178.44 176.76 2k3k h ARG 67 N -0.28 0.26 -0.13 1.25 1.12 -1.20 -1.55 114.38 113.85 2k3k h ARG 67 Ca 0.09 -0.20 -0.19 0.00 -1.11 0.00 0.00 59.98 58.58 2k3k h ARG 67 Cb 0.41 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2k3k h ARG 67 CO -0.26 0.83 -0.68 1.15 -3.11 0.00 0.00 179.97 177.89 2k3k h THR 68 N 0.19 1.34 0.00 0.20 2.02 -0.91 -3.36 112.91 112.38 2k3k h THR 68 Ca -0.01 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.17 2k3k h THR 68 Cb 1.19 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 2k3k h THR 68 CO 0.10 0.61 -1.28 0.23 0.37 0.00 0.00 175.52 175.56 2k3k n MET 69 N -3.90 0.25 -1.73 6.66 2.81 -0.13 -4.76 117.12 116.32 2k3k n MET 69 Ca -0.05 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.36 2k3k n MET 69 Cb 0.68 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.65 2k3k n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k3k n GLN 70 N -1.81 2.58 -0.33 0.03 10.64 -0.59 -1.58 117.38 126.31 2k3k n GLN 70 Ca 0.01 0.92 0.00 0.00 -1.83 0.00 0.00 57.00 56.10 2k3k n GLN 70 Cb 0.42 -2.68 0.00 0.00 -0.86 0.00 0.00 30.24 27.12 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k3k n GLY 71 N 2.31 1.73 3.75 2.61 0.00 0.00 -4.95 105.19 110.66 2k3k n GLY 71 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.83 3.23 -1.23 1.61 5.36 -0.61 -4.37 117.98 119.14 2k3k s PHE 72 Ca 0.00 1.38 -0.20 0.00 -0.96 0.00 0.00 56.93 57.15 2k3k s PHE 72 Cb 0.00 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 2k3k s PHE 72 CO 0.00 -1.63 1.87 -0.35 -1.46 0.00 0.00 175.22 173.65 2k3k n PRO 73 N 1.67 2.47 -0.30 10.12 -0.04 -1.26 -1.00 135.00 146.65 2k3k n PRO 73 Ca 0.02 -2.81 0.05 0.00 -0.04 0.00 0.00 63.50 60.72 2k3k n PRO 73 Cb 0.43 -3.51 0.25 0.00 -0.04 0.00 0.00 33.50 30.62 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 8.19 1.03 -0.72 0.54 3.57 -1.92 -3.45 116.94 124.18 2k3k h PHE 74 Ca 0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2k3k h PHE 74 Cb 0.85 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2k3k h PHE 74 CO 1.34 0.52 0.00 0.66 -2.23 0.00 0.00 178.31 178.60 2k3k n TYR 75 N -4.50 0.00 0.35 0.41 4.01 -1.26 -5.01 117.16 111.15 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.40 -3.90 7.72 2.03 -1.26 -4.54 116.55 117.00 2k3k n ASP 76 Ca 0.00 -0.71 -0.14 0.00 0.52 0.00 0.00 54.79 54.46 2k3k n ASP 76 Cb 0.00 -0.18 -0.14 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.89 0.16 0.19 -0.67 1.02 -1.26 -5.07 119.74 113.21 2k3k s LYS 77 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2k3k s LYS 77 Cb 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 2k3k s LYS 77 CO 0.00 0.03 1.30 -1.25 -0.92 0.00 0.00 175.35 174.51 2k3k s PRO 78 N 0.01 4.40 0.68 -1.68 0.04 -1.26 -3.69 135.00 133.50 2k3k s PRO 78 Ca 0.00 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 2k3k s PRO 78 Cb -0.01 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.33 2k3k s PRO 78 CO -0.00 -0.25 1.19 -1.64 0.04 0.00 0.00 177.00 176.34 2k3k s MET 79 N 0.01 2.47 -0.04 4.56 -1.94 -0.17 -4.83 119.30 119.36 2k3k s MET 79 Ca 0.57 1.72 0.02 0.00 -1.71 0.00 0.00 55.69 56.29 2k3k s MET 79 Cb -0.36 -1.88 0.01 0.00 2.01 0.00 0.00 34.83 34.61 2k3k s MET 79 CO 0.37 -1.58 -0.10 -0.65 -0.01 0.00 0.00 175.02 173.06 2k3k s GLN 80 N -3.79 1.18 0.00 2.03 -1.52 -0.89 -0.81 119.66 115.86 2k3k s GLN 80 Ca 0.74 -0.33 -0.01 0.00 -1.95 0.00 0.00 55.36 53.81 2k3k s GLN 80 Cb -0.28 -1.06 -0.01 0.00 -0.22 0.00 0.00 33.01 31.44 2k3k s GLN 80 CO 0.41 0.08 0.00 0.42 -0.25 0.00 0.00 175.29 175.96 2k3k s ILE 81 N 0.38 0.04 0.31 1.08 1.01 -1.26 -0.95 121.20 121.81 2k3k s ILE 81 Ca -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2k3k s ILE 81 Cb -0.11 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2k3k s ILE 81 CO 0.01 -0.20 0.41 0.00 0.00 0.00 0.00 174.94 175.17 2k3k s ALA 82 N -0.58 0.81 0.65 9.38 0.00 -0.49 -4.76 121.76 126.77 2k3k s ALA 82 Ca -0.06 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 2k3k s ALA 82 Cb -0.04 1.21 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 2k3k s ALA 82 CO -0.00 -0.76 1.22 1.52 0.00 0.00 0.00 175.76 177.73 2k3k s TYR 83 N -3.38 2.25 0.63 0.00 1.13 -1.26 -0.68 117.35 116.04 2k3k s TYR 83 Ca 0.32 1.54 -0.18 0.00 -1.41 0.00 0.00 57.07 57.34 2k3k s TYR 83 Cb 0.01 -3.50 -0.02 0.00 -1.10 0.00 0.00 41.96 37.36 2k3k s TYR 83 CO 0.19 -2.42 1.22 -1.12 -2.51 0.00 0.00 175.55 170.90 2k3k s SER 84 N -1.76 4.90 0.03 -0.18 0.01 -1.25 -4.37 113.70 111.08 2k3k s SER 84 Ca 0.77 2.42 -0.01 0.00 1.31 0.00 0.00 55.95 60.43 2k3k s SER 84 Cb -0.31 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.30 2k3k s SER 84 CO 0.38 -1.79 -0.01 -0.54 0.41 0.00 0.00 173.24 171.70 2k3k s LYS 85 N -3.47 0.42 0.41 12.44 1.02 -1.26 -4.98 119.74 124.32 2k3k s LYS 85 Ca 0.78 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.75 2k3k s LYS 85 Cb -0.31 0.15 -0.10 0.00 -0.52 0.00 0.00 37.83 37.05 2k3k s LYS 85 CO 0.37 -0.08 1.28 0.43 -0.92 0.00 0.00 175.35 176.43 2k3k n SER 86 N 1.14 2.62 -3.72 2.83 7.64 -1.26 -5.04 113.62 117.83 2k3k n SER 86 Ca -0.21 1.13 -0.14 0.00 1.01 0.00 0.00 58.87 60.66 2k3k n SER 86 Cb 0.57 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.18 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 -0.48 -0.34 0.46 6.43 2.15 -1.26 -5.07 116.67 118.56 2k3k s ASP 87 Ca 0.60 0.44 0.19 0.00 0.43 0.00 0.00 52.55 54.21 2k3k s ASP 87 Cb -0.52 0.54 1.17 0.00 -0.30 0.00 0.00 42.92 43.81 2k3k s ASP 87 CO 0.59 -0.36 1.94 0.28 -0.17 0.00 0.00 175.17 177.45 2k3k h SER 88 N 4.36 0.27 0.56 -0.34 0.02 -1.98 -0.96 113.55 115.47 2k3k h SER 88 Ca -0.28 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.40 2k3k h SER 88 Cb 1.17 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.69 2k3k h SER 88 CO 0.34 0.14 -1.28 -0.78 -1.14 0.00 0.00 176.83 174.11 2k3k h ASP 89 N 0.28 0.51 0.19 3.07 3.58 -1.98 0.12 116.42 122.20 2k3k h ASP 89 Ca 0.34 -0.54 -0.16 0.00 0.42 0.00 0.00 57.03 57.10 2k3k h ASP 89 Cb 0.94 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2k3k h ASP 89 CO -0.08 1.42 -0.59 0.16 -2.88 0.00 0.00 179.24 177.26 2k3k h ILE 90 N 0.09 1.35 -0.39 2.25 3.07 -1.87 -0.46 117.51 121.55 2k3k h ILE 90 Ca -0.16 -1.91 -0.01 0.00 1.55 0.00 0.00 64.86 64.34 2k3k h ILE 90 Cb 2.00 1.91 -0.02 0.00 -0.27 0.00 0.00 36.82 40.44 2k3k h ILE 90 CO 0.22 0.58 0.21 0.58 -1.05 0.00 0.00 178.15 178.69 2k3k h VAL 91 N 0.30 1.15 -0.48 0.16 2.07 -1.15 -1.12 116.25 117.17 2k3k h VAL 91 Ca -0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2k3k h VAL 91 Cb 1.12 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2k3k h VAL 91 CO 0.10 0.16 0.28 0.00 0.02 0.00 0.00 177.57 178.13 2k3k h ALA 92 N 1.07 1.58 -0.47 1.67 0.00 -0.77 -1.07 119.26 121.27 2k3k h ALA 92 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2k3k h ALA 92 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2k3k h ALA 92 CO -0.02 0.36 0.03 -0.22 0.00 0.00 0.00 179.25 179.40 2k3k h LYS 93 N 0.66 0.80 -0.01 0.00 1.63 -0.32 -2.16 116.57 117.18 2k3k h LYS 93 Ca 0.17 -0.24 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 2k3k h LYS 93 Cb -0.00 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2k3k h LYS 93 CO -0.03 0.84 -0.75 -0.84 -3.45 0.00 0.00 179.45 175.22 2k3k h ILE 94 N 0.66 1.50 -2.31 2.00 3.07 -0.93 -3.44 117.51 118.06 2k3k h ILE 94 Ca 0.14 -2.46 -0.12 0.00 1.55 0.00 0.00 64.86 63.97 2k3k h ILE 94 Cb 0.45 2.33 0.05 0.00 -0.27 0.00 0.00 36.82 39.39 2k3k h ILE 94 CO 0.02 0.71 0.08 0.29 -1.05 0.00 0.00 178.15 178.20 2k3k n LYS 95 N -3.70 -0.95 0.03 0.16 5.02 -0.43 -5.00 118.16 113.30 2k3k n LYS 95 Ca -0.02 -0.55 0.12 0.00 -2.02 0.00 0.00 58.31 55.84 2k3k n LYS 95 Cb 0.72 -0.43 0.17 0.00 -0.02 0.00 0.00 35.03 35.47 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3k n GLY 96 N 1.52 -1.32 0.00 0.72 0.00 -1.26 -4.53 105.19 100.32 2k3k n GLY 96 Ca 0.05 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.89 1.17 0.31 2.61 -2.24 -1.22 -0.69 114.28 112.34 2k3k n THR 97 Ca 0.04 0.29 0.20 0.00 -2.27 0.00 0.00 64.05 62.31 2k3k n THR 97 Cb 0.41 -1.16 0.98 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.63 -3.37 116.94 116.72 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 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.06 2k3k h PHE 98 CO 0.00 0.01 -0.16 0.36 -0.00 0.00 0.00 178.31 178.51 2k3k n LYS 99 N -3.13 0.43 -1.80 6.09 2.85 -0.53 -5.05 118.16 117.03 2k3k n LYS 99 Ca -0.02 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.91 2k3k n LYS 99 Cb 0.17 -0.58 0.05 0.00 -0.65 0.00 0.00 35.03 34.02 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 -1.16 2.80 0.74 -1.58 2.56 0.13 -5.02 118.70 117.17 2k3k s GLU 100 Ca 0.00 1.49 -0.15 0.00 0.00 0.00 0.00 54.97 56.31 2k3k s GLU 100 Cb 0.00 -1.94 0.04 0.00 2.00 0.00 0.00 34.13 34.23 2k3k s GLU 100 CO 0.00 -1.27 1.23 1.03 -0.56 0.00 0.00 175.26 175.69 2k3k s ARG 101 N -3.91 2.07 0.39 4.30 0.52 -1.26 -4.45 118.95 116.60 2k3k s ARG 101 Ca 0.69 1.84 0.15 0.00 -0.52 0.00 0.00 55.73 57.89 2k3k s ARG 101 Cb -0.23 -1.82 1.01 0.00 0.52 0.00 0.00 34.95 34.44 2k3k s ARG 101 CO 0.39 -1.91 1.82 -1.35 0.02 0.00 0.00 175.30 174.28 2k3k h PRO 102 N -0.29 0.47 -3.23 3.54 0.11 -1.95 -3.43 132.00 127.23 2k3k h PRO 102 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2k3k h PRO 102 Cb 1.31 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2k3k h PRO 102 CO 0.49 0.31 -0.11 -1.59 -0.21 0.00 0.00 178.00 176.89 2k3k s LYS 103 N -5.53 0.97 0.00 1.05 -2.85 -1.26 -5.08 119.74 107.04 2k3k s LYS 103 Ca -0.09 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 2k3k s LYS 103 Cb 0.24 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 2k3k s LYS 103 CO 0.79 -0.35 0.00 1.17 0.10 0.00 0.00 175.35 177.06