#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k n GLU 2 N 0.00 0.00 -4.94 2.12 2.13 -1.26 -5.07 120.64 113.62 2k3k n GLU 2 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2k3k n GLU 2 Cb 0.00 -0.48 -0.15 0.00 0.27 0.00 0.00 31.44 31.08 2k3k n GLU 2 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2k3k s MET 3 N -1.19 1.90 0.19 5.31 -1.94 -1.26 -5.10 119.30 117.20 2k3k s MET 3 Ca 0.00 -1.06 -0.32 0.00 -1.71 0.00 0.00 55.69 52.60 2k3k s MET 3 Cb 0.00 -2.02 -0.11 0.00 2.01 0.00 0.00 34.83 34.71 2k3k s MET 3 CO 0.00 0.53 1.65 -0.51 -0.01 0.00 0.00 175.02 176.67 2k3k s LEU 4 N -1.15 4.37 0.15 -0.03 1.43 -1.26 -4.94 118.68 117.25 2k3k s LEU 4 Ca 0.12 2.75 -0.33 0.00 -1.03 0.00 0.00 54.13 55.64 2k3k s LEU 4 Cb -0.10 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.39 2k3k s LEU 4 CO 0.02 -0.90 1.68 -2.65 0.23 0.00 0.00 176.35 174.73 2k3k n PRO 5 N 3.94 2.43 -3.51 1.29 -0.02 -1.26 -4.76 135.00 133.11 2k3k n PRO 5 Ca 0.15 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.37 2k3k n PRO 5 Cb 0.37 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.11 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 1.47 -0.54 0.56 2.55 3.84 -1.26 -5.02 114.94 116.53 2k3k s ASN 6 Ca 0.79 0.41 0.27 0.00 0.21 0.00 0.00 52.86 54.54 2k3k s ASN 6 Cb -0.60 0.48 1.63 0.00 -0.55 0.00 0.00 41.25 42.21 2k3k s ASN 6 CO 0.37 -0.62 2.17 1.56 -2.79 0.00 0.00 177.10 177.79 2k3k h GLN 7 N 2.57 0.00 -6.01 0.43 4.20 -1.86 -3.43 115.11 111.00 2k3k h GLN 7 Ca -0.26 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.80 2k3k h GLN 7 Cb 1.19 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.87 2k3k h GLN 7 CO 0.36 0.05 -0.58 0.99 -0.67 0.00 0.00 178.83 178.98 2k3k s THR 8 N -4.50 4.66 0.22 -0.54 2.01 -1.26 -0.90 115.64 115.32 2k3k s THR 8 Ca -0.04 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2k3k s THR 8 Cb 0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2k3k s THR 8 CO 0.57 0.36 -0.03 0.27 -0.69 0.00 0.00 174.62 175.11 2k3k s ILE 9 N -1.17 1.12 -0.02 1.82 -4.36 -0.18 -2.36 121.20 116.04 2k3k s ILE 9 Ca 0.22 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2k3k s ILE 9 Cb -0.12 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 2k3k s ILE 9 CO 0.13 -0.40 -0.14 -0.47 0.24 0.00 0.00 174.94 174.30 2k3k s TYR 10 N -3.36 1.36 0.04 1.37 5.04 -0.15 -2.20 117.35 119.46 2k3k s TYR 10 Ca 0.26 -0.32 0.07 0.00 -2.44 0.00 0.00 57.07 54.64 2k3k s TYR 10 Cb 0.05 -0.91 -0.02 0.00 0.35 0.00 0.00 41.96 41.43 2k3k s TYR 10 CO 0.07 -0.09 -0.19 0.42 -1.34 0.00 0.00 175.55 174.43 2k3k s ILE 11 N -0.10 1.56 0.22 3.14 1.01 -0.00 -1.08 121.20 125.95 2k3k s ILE 11 Ca 0.01 -1.17 -0.09 0.00 0.00 0.00 0.00 60.65 59.40 2k3k s ILE 11 Cb -0.08 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2k3k s ILE 11 CO 0.01 0.16 0.35 0.20 0.00 0.00 0.00 174.94 175.65 2k3k s ASN 12 N -1.19 -0.01 -1.21 3.58 0.01 0.50 -2.25 114.94 114.38 2k3k s ASN 12 Ca 0.06 -1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.11 2k3k s ASN 12 Cb -0.09 0.50 0.06 0.00 0.41 0.00 0.00 41.25 42.14 2k3k s ASN 12 CO 0.02 -1.01 0.40 -3.20 -1.51 0.00 0.00 177.10 171.80 2k3k n ASN 13 N -0.32 -3.59 -4.78 -1.22 5.15 -1.15 -0.97 115.26 108.38 2k3k n ASN 13 Ca -0.02 -0.28 -0.36 0.00 -0.60 0.00 0.00 54.58 53.32 2k3k n ASN 13 Cb 0.63 -2.99 -0.03 0.00 -0.53 0.00 0.00 39.78 36.86 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 -6.31 4.00 -0.34 1.20 0.20 -0.91 -4.31 118.68 112.20 2k3k s LEU 14 Ca 0.33 2.06 -0.29 0.00 0.69 0.00 0.00 54.13 56.93 2k3k s LEU 14 Cb -0.18 -4.34 -0.01 0.00 -0.43 0.00 0.00 46.19 41.23 2k3k s LEU 14 CO 0.41 -0.71 1.66 0.20 -0.29 0.00 0.00 176.35 177.62 2k3k s ASN 15 N -1.68 6.08 0.43 3.68 -0.87 -1.26 -4.34 114.94 116.99 2k3k s ASN 15 Ca 0.63 1.19 0.32 0.00 -1.57 0.00 0.00 52.86 53.43 2k3k s ASN 15 Cb -0.21 -2.53 1.45 0.00 -0.02 0.00 0.00 41.25 39.93 2k3k s ASN 15 CO 0.26 -1.57 1.50 -1.84 -2.57 0.00 0.00 177.10 172.88 2k3k n GLU 16 N 8.24 -0.03 0.27 -0.60 0.00 -1.23 -1.30 120.64 125.99 2k3k n GLU 16 Ca 0.20 1.20 0.16 0.00 0.00 0.00 0.00 57.16 58.73 2k3k n GLU 16 Cb 0.47 -2.38 0.68 0.00 0.00 0.00 0.00 31.44 30.20 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2k3k h LYS 17 N 0.00 0.00 -6.44 3.44 2.10 -1.90 -3.44 116.57 110.34 2k3k h LYS 17 Ca 0.85 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.97 2k3k h LYS 17 Cb 2.78 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 34.12 2k3k h LYS 17 CO -0.43 0.04 0.85 0.42 -2.00 0.00 0.00 179.45 178.33 2k3k s ILE 18 N -3.71 3.41 0.72 0.07 -1.09 -0.42 -5.00 121.20 115.18 2k3k s ILE 18 Ca 0.01 0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 59.17 2k3k s ILE 18 Cb 0.09 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2k3k s ILE 18 CO 0.55 0.02 1.13 -0.75 -1.23 0.00 0.00 174.94 174.66 2k3k s LYS 19 N 2.13 2.39 0.23 2.79 2.20 -1.26 -4.82 119.74 123.39 2k3k s LYS 19 Ca 0.67 1.46 -0.07 0.00 -0.36 0.00 0.00 55.97 57.67 2k3k s LYS 19 Cb -0.35 -1.89 0.35 0.00 -1.51 0.00 0.00 37.83 34.43 2k3k s LYS 19 CO 0.29 -1.58 1.77 -0.22 -0.36 0.00 0.00 175.35 175.25 2k3k h LYS 20 N -0.42 0.57 -0.63 4.03 3.64 -1.94 0.00 116.57 121.82 2k3k h LYS 20 Ca -0.46 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2k3k h LYS 20 Cb 1.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2k3k h LYS 20 CO 0.51 0.38 0.35 1.49 -2.27 0.00 0.00 179.45 179.91 2k3k h GLU 21 N 0.58 0.88 -0.42 1.90 4.81 -1.98 -0.09 114.58 120.25 2k3k h GLU 21 Ca 0.36 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2k3k h GLU 21 Cb 0.40 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k3k h GLU 21 CO -0.28 0.67 -0.13 0.93 -0.73 0.00 0.00 179.01 179.46 2k3k h GLU 22 N 0.86 0.84 -0.04 1.92 5.08 -1.68 -0.43 114.58 121.13 2k3k h GLU 22 Ca 0.22 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2k3k h GLU 22 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k3k h GLU 22 CO -0.04 0.97 -0.09 1.25 -1.00 0.00 0.00 179.01 180.10 2k3k h LEU 23 N 0.66 -0.27 -0.26 1.33 7.12 -0.84 0.41 115.31 123.47 2k3k h LEU 23 Ca 0.10 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2k3k h LEU 23 Cb 0.68 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 2k3k h LEU 23 CO 0.05 -0.13 0.17 0.50 -0.13 0.00 0.00 178.44 178.90 2k3k h LYS 24 N -0.14 0.35 -0.29 1.25 3.64 -0.80 -0.92 116.57 119.66 2k3k h LYS 24 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2k3k h LYS 24 Cb 0.20 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2k3k h LYS 24 CO -0.12 0.24 0.19 -0.22 -2.27 0.00 0.00 179.45 177.27 2k3k h LYS 25 N 0.35 0.38 -0.16 1.90 1.63 -0.91 -1.10 116.57 118.65 2k3k h LYS 25 Ca 0.10 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2k3k h LYS 25 Cb -0.03 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2k3k h LYS 25 CO -0.02 0.25 0.10 0.77 -3.45 0.00 0.00 179.45 177.09 2k3k h SER 26 N 0.39 0.20 0.15 4.20 0.02 -0.51 0.55 113.55 118.54 2k3k h SER 26 Ca 0.11 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2k3k h SER 26 Cb -0.04 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2k3k h SER 26 CO -0.02 0.20 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.72 2k3k h LEU 27 N 0.18 -0.18 -1.26 5.07 3.38 -1.08 -1.22 115.31 120.20 2k3k h LEU 27 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2k3k h LEU 27 Cb 0.04 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2k3k h LEU 27 CO -0.01 -0.12 0.31 0.22 0.09 0.00 0.00 178.44 178.94 2k3k h TYR 28 N -0.22 0.80 -0.18 1.13 3.20 -1.03 0.57 116.97 121.25 2k3k h TYR 28 Ca -0.02 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.68 2k3k h TYR 28 Cb 0.17 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2k3k h TYR 28 CO -0.06 0.57 -0.52 0.00 -1.64 0.00 0.00 178.16 176.51 2k3k h ALA 29 N 1.52 0.76 0.00 1.82 0.00 -0.52 -3.37 119.26 119.47 2k3k h ALA 29 Ca 0.21 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k3k h ALA 29 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k3k h ALA 29 CO -0.03 0.68 -0.63 -0.89 0.00 0.00 0.00 179.25 178.38 2k3k n ILE 30 N -3.97 0.47 0.17 0.00 5.41 -0.49 -4.62 119.36 116.33 2k3k n ILE 30 Ca -0.03 0.15 0.04 0.00 1.00 0.00 0.00 62.75 63.91 2k3k n ILE 30 Cb 0.58 -1.54 0.45 0.00 -0.71 0.00 0.00 39.64 38.42 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2k3k h PHE 31 N -0.00 0.13 -0.52 1.39 -1.00 -1.05 -0.27 116.94 115.62 2k3k h PHE 31 Ca -0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2k3k h PHE 31 Cb 0.63 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2k3k h PHE 31 CO -0.00 0.27 0.33 0.77 -1.61 0.00 0.00 178.31 178.08 2k3k h SER 32 N 0.12 0.60 0.41 2.17 0.02 -1.68 -0.88 113.55 114.32 2k3k h SER 32 Ca 0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3k h SER 32 Cb 0.33 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k3k h SER 32 CO 0.02 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 2k3k n GLN 33 N -4.45 0.17 -0.04 3.45 6.02 -0.11 -0.60 117.38 121.81 2k3k n GLN 33 Ca 0.05 0.52 0.04 0.00 -0.01 0.00 0.00 57.00 57.60 2k3k n GLN 33 Cb 0.06 -1.91 0.06 0.00 1.02 0.00 0.00 30.24 29.47 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 -2.25 0.11 0.00 1.08 3.72 -0.40 -4.87 117.46 114.85 2k3k n PHE 34 Ca 0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2k3k n PHE 34 Cb 0.14 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.43 0.00 2.70 1.37 0.00 -0.80 -2.18 105.19 106.71 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 -1.10 -1.56 1.61 -0.06 0.23 -4.05 117.38 112.45 2k3k n GLN 36 Ca 0.00 1.05 -0.37 0.00 -2.00 0.00 0.00 57.00 55.68 2k3k n GLN 36 Cb 0.00 -0.72 0.06 0.00 -4.06 0.00 0.00 30.24 25.53 2k3k n GLN 36 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2k3k n ILE 37 N 2.35 3.63 0.00 1.69 5.41 -1.26 -1.54 119.36 129.64 2k3k n ILE 37 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2k3k n ILE 37 Cb 0.00 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 2k3k n ILE 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3k n LEU 38 N -1.10 1.25 -3.59 1.39 7.94 0.97 -4.62 117.00 119.23 2k3k n LEU 38 Ca 0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 2k3k n LEU 38 Cb 0.48 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 2k3k n LEU 38 CO 0.49 0.21 0.35 -0.62 -1.11 0.00 0.00 177.39 176.70 2k3k s ASP 39 N -3.36 -0.40 0.01 1.96 2.15 -0.64 -4.97 116.67 111.42 2k3k s ASP 39 Ca 0.00 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 52.74 2k3k s ASP 39 Cb 0.00 0.60 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 2k3k s ASP 39 CO 0.00 -1.03 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.30 2k3k s ILE 40 N -3.81 0.23 -0.14 4.11 1.01 -1.26 -0.45 121.20 120.89 2k3k s ILE 40 Ca 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2k3k s ILE 40 Cb -0.01 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.25 2k3k s ILE 40 CO -0.07 -0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.10 2k3k s VAL 41 N -0.61 0.01 0.16 2.92 1.01 0.01 -4.98 120.40 118.92 2k3k s VAL 41 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2k3k s VAL 41 Cb -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2k3k s VAL 41 CO -0.00 -0.14 0.33 0.00 0.00 0.00 0.00 175.10 175.28 2k3k s ALA 42 N 2.10 -0.24 0.20 5.51 0.00 -1.26 -1.24 121.76 126.83 2k3k s ALA 42 Ca 0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 2k3k s ALA 42 Cb -0.15 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2k3k s ALA 42 CO -0.07 -0.66 0.29 -0.51 0.00 0.00 0.00 175.76 174.80 2k3k s LEU 43 N -2.93 0.87 0.35 0.00 1.43 -1.13 -5.01 118.68 112.26 2k3k s LEU 43 Ca 0.14 -1.05 0.27 0.00 -1.03 0.00 0.00 54.13 52.46 2k3k s LEU 43 Cb 0.03 1.09 1.04 0.00 0.03 0.00 0.00 46.19 48.38 2k3k s LEU 43 CO -0.02 -0.94 1.80 0.11 0.23 0.00 0.00 176.35 177.52 2k3k h LYS 44 N 2.50 0.00 -6.94 1.70 1.57 -1.99 -3.37 116.57 110.04 2k3k h LYS 44 Ca -0.31 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 2k3k h LYS 44 Cb 1.24 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.65 2k3k h LYS 44 CO 0.46 0.00 0.71 0.95 -0.57 0.00 0.00 179.45 181.00 2k3k s THR 45 N -3.39 2.26 0.32 -0.16 -4.23 -1.26 -4.90 115.64 104.29 2k3k s THR 45 Ca 0.04 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.82 2k3k s THR 45 Cb 0.09 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 71.00 2k3k s THR 45 CO 0.48 0.05 1.95 0.25 -0.54 0.00 0.00 174.62 176.81 2k3k h LEU 46 N 2.86 0.76 -0.37 4.79 6.46 -1.95 -0.07 115.31 127.79 2k3k h LEU 46 Ca -0.50 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2k3k h LEU 46 Cb 1.24 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2k3k h LEU 46 CO 0.63 0.61 0.00 2.29 -0.62 0.00 0.00 178.44 181.35 2k3k n LYS 47 N -4.38 0.04 -0.15 1.25 2.85 -1.26 -0.93 118.16 115.57 2k3k n LYS 47 Ca 0.06 0.53 0.09 0.00 -1.05 0.00 0.00 58.31 57.94 2k3k n LYS 47 Cb 0.10 -1.62 0.13 0.00 -0.65 0.00 0.00 35.03 32.99 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 -1.70 1.18 0.00 -1.58 2.81 -0.06 -4.01 117.12 113.75 2k3k n MET 48 Ca -0.00 -2.49 0.00 0.00 -1.81 0.00 0.00 57.70 53.40 2k3k n MET 48 Cb 0.01 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 2k3k n MET 48 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2k3k n ARG 49 N -1.28 3.58 0.01 0.03 1.74 -0.17 -2.85 116.66 117.72 2k3k n ARG 49 Ca 0.15 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.36 2k3k n ARG 49 Cb 0.65 -0.99 0.56 0.00 -1.02 0.00 0.00 32.46 31.66 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k3k n GLY 50 N 2.90 -1.50 3.12 -0.13 0.00 -0.11 -3.51 105.19 105.97 2k3k n GLY 50 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.01 0.72 0.31 1.61 -0.21 -1.26 -2.14 119.66 115.69 2k3k s GLN 51 Ca 0.13 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 54.10 2k3k s GLN 51 Cb 0.18 0.24 0.03 0.00 1.00 0.00 0.00 33.01 34.46 2k3k s GLN 51 CO 0.55 -0.17 0.71 0.00 -2.12 0.00 0.00 175.29 174.26 2k3k s ALA 52 N -3.94 -0.88 0.08 6.09 0.00 -0.96 -4.39 121.76 117.76 2k3k s ALA 52 Ca 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2k3k s ALA 52 Cb 0.07 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2k3k s ALA 52 CO -0.07 -0.99 -0.07 -0.06 0.00 0.00 0.00 175.76 174.56 2k3k s PHE 53 N -3.37 0.81 -0.08 0.00 0.40 -0.37 -0.82 117.98 114.54 2k3k s PHE 53 Ca 0.14 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.55 2k3k s PHE 53 Cb -0.05 -0.47 0.04 0.00 0.51 0.00 0.00 43.02 43.05 2k3k s PHE 53 CO 0.09 -0.12 0.44 0.54 0.70 0.00 0.00 175.22 176.87 2k3k s VAL 54 N -2.68 0.02 -0.01 -0.44 0.11 -0.94 -0.81 120.40 115.66 2k3k s VAL 54 Ca 0.03 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 2k3k s VAL 54 Cb -0.01 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2k3k s VAL 54 CO -0.03 -0.11 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.77 2k3k s ILE 55 N -0.69 1.83 0.30 7.04 1.09 0.41 -1.01 121.20 130.16 2k3k s ILE 55 Ca -0.08 -1.02 0.06 0.00 -1.10 0.00 0.00 60.65 58.51 2k3k s ILE 55 Cb -0.03 -1.52 -0.06 0.00 -1.06 0.00 0.00 42.46 39.78 2k3k s ILE 55 CO 0.04 0.49 -0.01 -0.36 -0.10 0.00 0.00 174.94 175.00 2k3k s PHE 56 N -0.57 1.99 0.37 3.97 0.40 -0.08 -0.02 117.98 124.04 2k3k s PHE 56 Ca 0.09 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 55.67 2k3k s PHE 56 Cb -0.09 -1.22 0.72 0.00 0.51 0.00 0.00 43.02 42.94 2k3k s PHE 56 CO -0.01 0.19 2.00 1.57 0.70 0.00 0.00 175.22 179.68 2k3k h LYS 57 N 2.19 0.65 -3.20 0.44 2.10 -1.42 -3.42 116.57 113.91 2k3k h LYS 57 Ca -0.40 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.09 2k3k h LYS 57 Cb 1.24 -0.14 -0.18 0.00 -0.90 0.00 0.00 32.23 32.25 2k3k h LYS 57 CO 0.69 0.47 -0.25 -1.21 -2.00 0.00 0.00 179.45 177.16 2k3k s GLU 58 N -5.47 0.78 0.35 0.07 2.02 -1.26 -5.07 118.70 110.11 2k3k s GLU 58 Ca -0.09 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 54.56 2k3k s GLU 58 Cb 0.17 0.34 0.64 0.00 0.10 0.00 0.00 34.13 35.38 2k3k s GLU 58 CO 0.75 -0.24 1.88 -0.84 0.02 0.00 0.00 175.26 176.83 2k3k h ILE 59 N 3.40 1.19 -0.21 -1.63 3.07 -1.87 -0.27 117.51 121.18 2k3k h ILE 59 Ca -0.31 -0.79 -0.19 0.00 1.55 0.00 0.00 64.86 65.12 2k3k h ILE 59 Cb 1.19 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2k3k h ILE 59 CO 0.44 0.26 -0.63 1.23 -1.05 0.00 0.00 178.15 178.41 2k3k h GLY 60 N 0.81 0.83 1.07 0.16 0.00 -1.96 -1.14 103.07 102.84 2k3k h GLY 60 Ca 0.09 -1.03 -0.13 0.00 0.00 0.00 0.00 47.33 46.26 2k3k h GLY 60 CO 0.01 0.93 -0.23 1.76 0.00 0.00 0.00 176.54 179.01 2k3k h SER 61 N 0.56 0.94 -0.27 0.19 0.02 -1.75 -0.54 113.55 112.70 2k3k h SER 61 Ca -0.01 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2k3k h SER 61 Cb 1.23 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2k3k h SER 61 CO 0.13 1.15 0.05 0.00 -1.14 0.00 0.00 176.83 177.01 2k3k h ALA 62 N 0.82 0.27 -0.93 3.77 0.00 -1.03 -1.45 119.26 120.72 2k3k h ALA 62 Ca 0.09 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2k3k h ALA 62 Cb 0.81 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2k3k h ALA 62 CO 0.07 -0.37 0.61 0.77 0.00 0.00 0.00 179.25 180.33 2k3k h SER 63 N 0.14 1.05 -0.21 0.00 0.02 -0.86 -0.05 113.55 113.65 2k3k h SER 63 Ca 0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2k3k h SER 63 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2k3k h SER 63 CO -0.17 0.75 0.05 -1.13 -1.14 0.00 0.00 176.83 175.19 2k3k h ASN 64 N 1.24 0.31 -0.04 3.07 -1.24 -0.71 -0.14 115.58 118.07 2k3k h ASN 64 Ca 0.35 -0.23 0.02 0.00 0.71 0.00 0.00 56.30 57.15 2k3k h ASN 64 Cb -0.11 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 2k3k h ASN 64 CO -0.08 0.46 -0.09 0.00 -1.29 0.00 0.00 177.43 176.42 2k3k h ALA 65 N 0.87 -0.07 0.20 1.57 0.00 -0.77 -0.91 119.26 120.16 2k3k h ALA 65 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3k h ALA 65 Cb 0.27 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2k3k h ALA 65 CO 0.00 -0.57 -0.39 1.25 0.00 0.00 0.00 179.25 179.54 2k3k h LEU 66 N -0.14 -1.12 -0.39 0.00 6.46 -0.84 -1.24 115.31 118.04 2k3k h LEU 66 Ca 0.05 0.12 -0.17 0.00 -0.12 0.00 0.00 57.88 57.76 2k3k h LEU 66 Cb 0.21 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2k3k h LEU 66 CO -0.12 -0.49 -0.47 -0.09 -0.62 0.00 0.00 178.44 176.65 2k3k h ARG 67 N -0.68 0.85 -0.61 1.25 2.43 -0.94 -1.25 114.38 115.42 2k3k h ARG 67 Ca 0.01 -0.49 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 2k3k h ARG 67 Cb 0.67 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2k3k h ARG 67 CO -0.18 1.13 0.03 1.15 -1.51 0.00 0.00 179.97 180.59 2k3k h THR 68 N 0.67 1.26 -0.00 0.20 2.02 -1.06 -3.10 112.91 112.90 2k3k h THR 68 Ca 0.04 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2k3k h THR 68 Cb 1.06 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2k3k h THR 68 CO 0.11 0.41 -0.35 0.23 0.37 0.00 0.00 175.52 176.28 2k3k n MET 69 N -4.21 0.47 -1.66 6.66 2.81 -0.48 -4.78 117.12 115.93 2k3k n MET 69 Ca 0.03 -0.27 -0.49 0.00 -1.81 0.00 0.00 57.70 55.16 2k3k n MET 69 Cb 0.33 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.03 1.87 -0.83 0.03 -0.06 -0.48 -1.38 117.38 115.49 2k3k n GLN 70 Ca 0.09 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.77 2k3k n GLN 70 Cb 0.34 -2.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 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 3.60 0.63 3.74 1.69 0.00 -0.27 -4.99 105.19 109.59 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 -2.88 3.38 -1.14 1.61 5.36 -0.48 -4.37 117.98 119.46 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 -3.47 -0.05 0.00 -0.34 0.00 0.00 43.02 39.16 2k3k s PHE 72 CO 0.00 -1.34 1.98 -0.35 -1.46 0.00 0.00 175.22 174.05 2k3k n PRO 73 N 2.35 2.20 0.22 10.12 -0.04 -1.26 -0.91 135.00 147.68 2k3k n PRO 73 Ca 0.04 -2.44 0.08 0.00 -0.04 0.00 0.00 63.50 61.14 2k3k n PRO 73 Cb 0.44 -3.28 0.47 0.00 -0.04 0.00 0.00 33.50 31.09 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 7.66 0.00 -0.82 0.54 3.57 -1.91 -3.45 116.94 122.53 2k3k h PHE 74 Ca 0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2k3k h PHE 74 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2k3k h PHE 74 CO 1.33 0.27 0.00 0.66 -2.23 0.00 0.00 178.31 178.34 2k3k n TYR 75 N -3.61 0.00 0.49 0.41 4.01 -1.26 -4.99 117.16 112.20 2k3k n TYR 75 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2k3k n TYR 75 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.42 -3.79 7.72 2.03 -1.26 -4.64 116.55 117.02 2k3k n ASP 76 Ca 0.00 -0.91 -0.13 0.00 0.52 0.00 0.00 54.79 54.28 2k3k n ASP 76 Cb 0.00 -0.21 -0.13 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 -1.08 0.17 -0.27 -0.67 1.02 -1.26 -5.09 119.74 112.56 2k3k s LYS 77 Ca 0.00 0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 2k3k s LYS 77 Cb 0.00 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2k3k s LYS 77 CO 0.00 -0.06 1.55 -1.25 -0.92 0.00 0.00 175.35 174.67 2k3k s PRO 78 N 0.40 3.74 0.54 -1.68 0.04 -1.26 -3.40 135.00 133.37 2k3k s PRO 78 Ca -0.03 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.28 2k3k s PRO 78 Cb -0.04 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 2k3k s PRO 78 CO -0.02 -1.36 1.14 -1.64 0.04 0.00 0.00 177.00 175.16 2k3k s MET 79 N 4.72 3.37 -0.02 4.56 -1.94 -0.09 -4.84 119.30 125.07 2k3k s MET 79 Ca 0.68 1.64 0.06 0.00 -1.71 0.00 0.00 55.69 56.37 2k3k s MET 79 Cb -0.22 -2.04 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 2k3k s MET 79 CO 0.29 -0.84 -0.21 -0.65 -0.01 0.00 0.00 175.02 173.60 2k3k s GLN 80 N -3.23 2.22 0.03 2.03 -0.21 -0.14 -1.11 119.66 119.25 2k3k s GLN 80 Ca 0.72 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2k3k s GLN 80 Cb -0.25 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 2k3k s GLN 80 CO 0.28 0.58 -0.06 0.42 -2.12 0.00 0.00 175.29 174.39 2k3k s ILE 81 N -0.70 0.37 0.20 1.08 1.01 -1.26 -0.37 121.20 121.54 2k3k s ILE 81 Ca 0.11 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2k3k s ILE 81 Cb -0.10 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 2k3k s ILE 81 CO 0.00 -0.44 0.27 0.00 0.00 0.00 0.00 174.94 174.78 2k3k s ALA 82 N -1.45 0.46 0.90 9.38 0.00 -0.24 -5.01 121.76 125.81 2k3k s ALA 82 Ca -0.12 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 2k3k s ALA 82 Cb -0.10 1.15 0.13 0.00 0.00 0.00 0.00 23.12 24.31 2k3k s ALA 82 CO -0.00 -0.68 1.16 1.52 0.00 0.00 0.00 175.76 177.76 2k3k s TYR 83 N -4.07 2.46 0.00 0.00 1.13 -1.26 -0.97 117.35 114.64 2k3k s TYR 83 Ca 0.28 0.76 0.00 0.00 -1.41 0.00 0.00 57.07 56.71 2k3k s TYR 83 Cb 0.04 -3.49 0.00 0.00 -1.10 0.00 0.00 41.96 37.41 2k3k s TYR 83 CO 0.08 -2.30 0.00 0.43 -2.51 0.00 0.00 175.55 171.26 2k3k n SER 84 N -3.69 0.00 -4.63 -0.18 7.64 -1.00 -4.45 113.62 107.32 2k3k n SER 84 Ca 0.08 -0.62 -0.26 0.00 1.01 0.00 0.00 58.87 59.09 2k3k n SER 84 Cb 0.60 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 2k3k n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k3k s LYS 85 N -0.85 2.02 0.35 1.43 1.02 -1.26 -4.74 119.74 117.71 2k3k s LYS 85 Ca 0.00 -1.90 -0.27 0.00 0.02 0.00 0.00 55.97 53.81 2k3k s LYS 85 Cb 0.00 -1.81 -0.12 0.00 -0.52 0.00 0.00 37.83 35.38 2k3k s LYS 85 CO 0.00 0.04 1.25 0.43 -0.92 0.00 0.00 175.35 176.16 2k3k n SER 86 N -0.97 2.55 -4.56 2.83 7.64 -1.26 -4.53 113.62 115.32 2k3k n SER 86 Ca -0.04 1.18 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 2k3k n SER 86 Cb 0.64 -1.47 0.14 0.00 -1.01 0.00 0.00 64.21 62.51 2k3k n SER 86 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k3k n ASP 87 N 0.70 -0.64 0.00 6.43 2.03 -1.26 -1.98 116.55 121.83 2k3k n ASP 87 Ca 0.06 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2k3k n ASP 87 Cb 0.36 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 2k3k n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k3k n SER 88 N -2.64 0.00 0.04 1.67 7.64 -1.26 -4.53 113.62 114.54 2k3k n SER 88 Ca 0.10 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 2k3k n SER 88 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2k3k n SER 88 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 89 N 0.00 -0.12 -0.39 6.43 3.58 -1.92 -0.20 116.42 123.80 2k3k h ASP 89 Ca 0.00 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 2k3k h ASP 89 Cb 0.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2k3k h ASP 89 CO 0.00 0.30 0.14 0.16 -2.88 0.00 0.00 179.24 176.96 2k3k h ILE 90 N -0.56 1.19 -0.11 2.25 3.07 -1.63 -1.30 117.51 120.42 2k3k h ILE 90 Ca -0.01 -0.65 -0.01 0.00 1.55 0.00 0.00 64.86 65.74 2k3k h ILE 90 Cb 0.46 0.69 -0.00 0.00 -0.27 0.00 0.00 36.82 37.70 2k3k h ILE 90 CO 0.02 0.24 0.04 0.58 -1.05 0.00 0.00 178.15 177.98 2k3k h VAL 91 N 0.66 1.16 -0.62 0.16 2.07 -1.79 -1.18 116.25 116.71 2k3k h VAL 91 Ca 0.15 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2k3k h VAL 91 Cb 0.20 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2k3k h VAL 91 CO -0.01 0.14 0.30 0.00 0.02 0.00 0.00 177.57 178.02 2k3k h ALA 92 N 0.86 1.35 0.22 1.67 0.00 -0.77 0.50 119.26 123.09 2k3k h ALA 92 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3k h ALA 92 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k3k h ALA 92 CO -0.00 0.51 -0.10 -0.22 0.00 0.00 0.00 179.25 179.43 2k3k h LYS 93 N 0.88 -0.28 -0.04 0.00 3.64 -0.87 -0.51 116.57 119.39 2k3k h LYS 93 Ca 0.22 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2k3k h LYS 93 Cb 0.09 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2k3k h LYS 93 CO -0.03 -0.14 -0.64 -0.84 -2.27 0.00 0.00 179.45 175.54 2k3k h ILE 94 N -0.35 1.41 -0.01 2.00 3.07 -0.97 -2.94 117.51 119.72 2k3k h ILE 94 Ca -0.03 -2.09 -0.08 0.00 1.55 0.00 0.00 64.86 64.21 2k3k h ILE 94 Cb 0.27 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.90 2k3k h ILE 94 CO 0.05 0.61 -0.37 0.50 -1.05 0.00 0.00 178.15 177.89 2k3k h LYS 95 N 0.12 0.01 -1.54 0.16 1.63 -0.84 -3.47 116.57 112.64 2k3k h LYS 95 Ca -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k3k h LYS 95 Cb 1.14 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2k3k h LYS 95 CO 0.09 0.38 0.00 0.41 -3.45 0.00 0.00 179.45 176.88 2k3k n GLY 96 N -0.47 0.61 0.00 5.01 0.00 -0.46 -4.99 105.19 104.88 2k3k n GLY 96 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.34 0.01 -0.18 2.61 -2.24 -0.33 -4.65 114.28 108.16 2k3k n THR 97 Ca 0.00 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 2k3k n THR 97 Cb 0.46 1.58 0.03 0.00 -2.10 0.00 0.00 70.33 70.29 2k3k n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k3k h PHE 98 N 0.00 0.68 -0.67 4.78 3.57 -1.74 -3.36 116.94 120.21 2k3k h PHE 98 Ca 0.00 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.18 2k3k h PHE 98 Cb 0.31 -0.23 -0.23 0.00 2.79 0.00 0.00 35.95 38.59 2k3k h PHE 98 CO 0.00 0.44 -0.70 1.17 -2.23 0.00 0.00 178.31 176.99 2k3k n LYS 99 N -4.70 0.83 -3.91 1.11 0.00 -1.26 -5.02 118.16 105.21 2k3k n LYS 99 Ca 0.03 -2.28 -0.09 0.00 0.00 0.00 0.00 58.31 55.96 2k3k n LYS 99 Cb 0.03 -1.34 -0.07 0.00 0.00 0.00 0.00 35.03 33.64 2k3k n LYS 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k3k s GLU 100 N -0.15 1.05 0.63 1.64 8.01 -1.26 -5.15 118.70 123.47 2k3k s GLU 100 Ca 0.31 -1.08 -0.18 0.00 0.01 0.00 0.00 54.97 54.04 2k3k s GLU 100 Cb 0.24 0.37 -0.02 0.00 -4.31 0.00 0.00 34.13 30.41 2k3k s GLU 100 CO -0.16 -0.37 1.24 1.03 0.01 0.00 0.00 175.26 177.01 2k3k s ARG 101 N -3.92 2.72 0.00 1.61 0.52 -1.26 -4.85 118.95 113.77 2k3k s ARG 101 Ca 0.12 1.90 0.21 0.00 -0.52 0.00 0.00 55.73 57.45 2k3k s ARG 101 Cb 0.04 -1.89 1.18 0.00 0.52 0.00 0.00 34.95 34.80 2k3k s ARG 101 CO -0.04 -1.42 1.68 -0.35 0.02 0.00 0.00 175.30 175.19 2k3k n PRO 102 N -1.84 0.48 -3.14 3.54 -0.04 -1.26 -4.82 135.00 127.93 2k3k n PRO 102 Ca 0.14 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2k3k n PRO 102 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 2k3k n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k3k n LYS 103 N -1.15 0.54 0.00 0.54 5.02 -1.26 -5.19 118.16 116.66 2k3k n LYS 103 Ca 0.13 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 2k3k n LYS 103 Cb 0.12 1.07 0.00 0.00 -0.02 0.00 0.00 35.03 36.21 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05