#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 2.30 0.28 0.03 0.41 -1.26 -4.97 118.70 115.49 2k3k s GLU 2 Ca 0.00 1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 55.66 2k3k s GLU 2 Cb 0.00 -1.89 -0.10 0.00 -1.78 0.00 0.00 34.13 30.36 2k3k s GLU 2 CO 0.00 -1.64 1.45 -1.64 -0.49 0.00 0.00 175.26 172.94 2k3k s MET 3 N -4.41 4.24 0.46 1.61 -1.94 -1.26 -4.97 119.30 113.04 2k3k s MET 3 Ca 0.66 2.36 -0.22 0.00 -1.71 0.00 0.00 55.69 56.78 2k3k s MET 3 Cb -0.21 -3.08 -0.08 0.00 2.01 0.00 0.00 34.83 33.47 2k3k s MET 3 CO 0.49 -0.43 1.07 -0.51 -0.01 0.00 0.00 175.02 175.63 2k3k s LEU 4 N -0.79 3.95 0.21 -0.03 1.02 -1.26 -4.99 118.68 116.80 2k3k s LEU 4 Ca 0.58 2.05 -0.32 0.00 0.02 0.00 0.00 54.13 56.45 2k3k s LEU 4 Cb -0.43 -4.40 -0.14 0.00 0.02 0.00 0.00 46.19 41.25 2k3k s LEU 4 CO 0.47 -0.76 1.45 -2.65 0.02 0.00 0.00 176.35 174.89 2k3k n PRO 5 N -0.65 2.03 -3.68 1.29 -0.02 -1.26 -4.74 135.00 127.97 2k3k n PRO 5 Ca 0.08 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2k3k n PRO 5 Cb 0.51 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.47 -0.59 0.35 2.55 3.84 -1.26 -5.05 114.94 115.25 2k3k s ASN 6 Ca 0.72 1.12 0.25 0.00 0.21 0.00 0.00 52.86 55.16 2k3k s ASN 6 Cb -0.67 1.12 1.26 0.00 -0.55 0.00 0.00 41.25 42.42 2k3k s ASN 6 CO 0.46 -0.19 1.76 -0.61 -2.79 0.00 0.00 177.10 175.73 2k3k h GLN 7 N 5.46 0.00 -6.74 0.43 4.15 -1.87 -3.42 115.11 113.12 2k3k h GLN 7 Ca -0.28 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.44 2k3k h GLN 7 Cb 1.18 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.61 2k3k h GLN 7 CO 0.17 0.00 -0.88 0.99 -1.93 0.00 0.00 178.83 177.18 2k3k s THR 8 N -3.56 2.14 0.26 2.39 2.01 -1.26 -1.27 115.64 116.35 2k3k s THR 8 Ca -0.01 -1.43 0.08 0.00 0.31 0.00 0.00 61.69 60.64 2k3k s THR 8 Cb 0.08 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2k3k s THR 8 CO 0.28 0.33 -0.10 0.27 -0.69 0.00 0.00 174.62 174.71 2k3k s ILE 9 N -0.84 1.79 -0.11 1.82 -4.36 -0.37 -2.07 121.20 117.06 2k3k s ILE 9 Ca 0.12 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2k3k s ILE 9 Cb -0.10 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.33 2k3k s ILE 9 CO 0.03 -0.41 -0.13 -0.47 0.24 0.00 0.00 174.94 174.19 2k3k s TYR 10 N -2.93 1.89 -0.01 1.37 5.04 0.11 -2.21 117.35 120.61 2k3k s TYR 10 Ca 0.27 -0.93 0.05 0.00 -2.44 0.00 0.00 57.07 54.02 2k3k s TYR 10 Cb 0.01 -1.40 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 2k3k s TYR 10 CO 0.11 -0.51 -0.16 0.42 -1.34 0.00 0.00 175.55 174.06 2k3k s ILE 11 N 1.19 2.89 0.18 3.14 1.01 0.09 -1.10 121.20 128.60 2k3k s ILE 11 Ca -0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 2k3k s ILE 11 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2k3k s ILE 11 CO -0.04 0.50 0.24 0.20 0.00 0.00 0.00 174.94 175.84 2k3k s ASN 12 N -0.99 0.09 -1.22 3.58 0.01 0.62 -1.66 114.94 115.36 2k3k s ASN 12 Ca 0.13 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 2k3k s ASN 12 Cb -0.11 0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.98 2k3k s ASN 12 CO 0.02 -0.90 0.00 -3.20 -1.51 0.00 0.00 177.10 171.51 2k3k n ASN 13 N -0.24 -3.91 -4.76 -1.22 5.15 -1.17 -1.61 115.26 107.50 2k3k n ASN 13 Ca -0.03 0.22 -0.41 0.00 -0.60 0.00 0.00 54.58 53.76 2k3k n ASN 13 Cb 0.64 -3.41 -0.02 0.00 -0.53 0.00 0.00 39.78 36.45 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 -5.02 4.42 -0.28 1.20 0.20 -0.77 -4.62 118.68 113.81 2k3k s LEU 14 Ca 0.00 2.64 -0.28 0.00 0.69 0.00 0.00 54.13 57.18 2k3k s LEU 14 Cb 0.00 -3.64 -0.03 0.00 -0.43 0.00 0.00 46.19 42.09 2k3k s LEU 14 CO 0.00 -0.55 1.89 0.21 -0.29 0.00 0.00 176.35 177.61 2k3k s ASN 15 N -0.25 5.84 0.00 3.68 3.84 -1.26 -4.44 114.94 122.35 2k3k s ASN 15 Ca 0.51 1.50 0.12 0.00 0.21 0.00 0.00 52.86 55.21 2k3k s ASN 15 Cb -0.40 -2.52 0.52 0.00 -0.55 0.00 0.00 41.25 38.30 2k3k s ASN 15 CO 0.49 -1.72 1.36 -1.84 -2.79 0.00 0.00 177.10 172.60 2k3k n GLU 16 N 8.43 0.03 0.10 0.43 0.00 -1.26 -2.34 120.64 126.04 2k3k n GLU 16 Ca 0.24 0.28 -0.01 0.00 0.00 0.00 0.00 57.16 57.67 2k3k n GLU 16 Cb 0.46 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.67 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 0.23 -6.54 3.44 2.10 -1.89 -3.45 116.57 110.46 2k3k h LYS 17 Ca 0.00 -0.09 -0.53 0.00 -2.00 0.00 0.00 60.65 58.03 2k3k h LYS 17 Cb 0.18 -0.01 0.04 0.00 -0.90 0.00 0.00 32.23 31.54 2k3k h LYS 17 CO 0.00 0.55 1.03 0.42 -2.00 0.00 0.00 179.45 179.45 2k3k s ILE 18 N -4.28 2.58 0.79 0.07 -1.09 -0.99 -4.98 121.20 113.31 2k3k s ILE 18 Ca -0.05 0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 58.48 2k3k s ILE 18 Cb 0.14 -3.14 0.07 0.00 -1.58 0.00 0.00 42.46 37.95 2k3k s ILE 18 CO 0.76 0.01 1.10 -0.75 -1.23 0.00 0.00 174.94 174.82 2k3k s LYS 19 N 2.19 2.07 0.21 2.79 2.20 -1.26 -4.79 119.74 123.14 2k3k s LYS 19 Ca 0.76 1.22 -0.10 0.00 -0.36 0.00 0.00 55.97 57.49 2k3k s LYS 19 Cb -0.45 -1.87 0.27 0.00 -1.51 0.00 0.00 37.83 34.27 2k3k s LYS 19 CO 0.34 -1.79 1.74 -0.22 -0.36 0.00 0.00 175.35 175.06 2k3k h LYS 20 N -1.24 0.39 -0.69 4.03 3.64 -1.94 0.05 116.57 120.81 2k3k h LYS 20 Ca -0.44 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2k3k h LYS 20 Cb 1.24 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2k3k h LYS 20 CO 0.50 0.26 0.27 1.49 -2.27 0.00 0.00 179.45 179.70 2k3k h GLU 21 N 0.41 1.03 -0.23 1.90 4.81 -1.97 0.21 114.58 120.73 2k3k h GLU 21 Ca 0.30 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 2k3k h GLU 21 Cb 0.37 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k3k h GLU 21 CO -0.30 0.84 -0.61 0.93 -0.73 0.00 0.00 179.01 179.14 2k3k h GLU 22 N 1.01 0.78 0.10 1.92 5.08 -1.65 0.45 114.58 122.26 2k3k h GLU 22 Ca 0.23 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2k3k h GLU 22 Cb 0.20 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k3k h GLU 22 CO -0.02 1.15 -0.12 1.25 -1.00 0.00 0.00 179.01 180.27 2k3k h LEU 23 N 0.58 -0.31 -0.23 1.33 7.12 -0.79 0.24 115.31 123.24 2k3k h LEU 23 Ca -0.00 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.07 2k3k h LEU 23 Cb 1.21 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.42 2k3k h LEU 23 CO 0.13 -0.18 0.06 0.50 -0.13 0.00 0.00 178.44 178.81 2k3k h LYS 24 N -0.25 0.15 -0.34 1.25 3.64 -0.79 0.10 116.57 120.33 2k3k h LYS 24 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2k3k h LYS 24 Cb 0.25 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2k3k h LYS 24 CO -0.04 0.10 0.18 -0.22 -2.27 0.00 0.00 179.45 177.19 2k3k h LYS 25 N 0.15 0.36 -0.52 1.90 1.63 -0.80 -1.44 116.57 117.84 2k3k h LYS 25 Ca 0.10 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 2k3k h LYS 25 Cb 0.09 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2k3k h LYS 25 CO -0.13 0.23 -0.09 0.77 -3.45 0.00 0.00 179.45 176.78 2k3k h SER 26 N 0.37 0.96 -0.18 4.20 0.02 -0.34 0.97 113.55 119.54 2k3k h SER 26 Ca 0.14 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2k3k h SER 26 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2k3k h SER 26 CO -0.09 1.06 0.08 -0.07 -1.14 0.00 0.00 176.83 176.67 2k3k h LEU 27 N 0.86 0.25 -1.28 5.07 3.38 -0.86 -0.77 115.31 121.97 2k3k h LEU 27 Ca 0.14 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k3k h LEU 27 Cb 0.63 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k3k h LEU 27 CO 0.04 0.34 -0.03 0.22 0.09 0.00 0.00 178.44 179.10 2k3k h TYR 28 N 0.15 0.46 -0.06 1.13 3.20 -0.95 0.75 116.97 121.65 2k3k h TYR 28 Ca 0.06 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2k3k h TYR 28 Cb 0.17 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2k3k h TYR 28 CO -0.01 0.48 -0.73 0.00 -1.64 0.00 0.00 178.16 176.26 2k3k h ALA 29 N 1.55 0.64 0.00 1.82 0.00 -0.53 -3.37 119.26 119.37 2k3k h ALA 29 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2k3k h ALA 29 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k3k h ALA 29 CO 0.01 0.78 -0.41 -0.89 0.00 0.00 0.00 179.25 178.74 2k3k n ILE 30 N -3.82 0.91 0.22 0.00 5.41 -0.32 -4.66 119.36 117.11 2k3k n ILE 30 Ca -0.04 0.26 0.06 0.00 1.00 0.00 0.00 62.75 64.03 2k3k n ILE 30 Cb 0.70 -1.62 0.52 0.00 -0.71 0.00 0.00 39.64 38.54 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 -0.09 0.00 -0.35 1.39 -1.00 -1.01 -0.50 116.94 115.38 2k3k h PHE 31 Ca -0.02 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.77 2k3k h PHE 31 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 2k3k h PHE 31 CO -0.03 0.22 0.23 0.77 -1.61 0.00 0.00 178.31 177.89 2k3k h SER 32 N 0.00 0.38 0.40 2.17 0.02 -1.62 -0.54 113.55 114.36 2k3k h SER 32 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k3k h SER 32 Cb 0.43 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k3k h SER 32 CO 0.03 0.27 0.00 1.56 -1.14 0.00 0.00 176.83 177.55 2k3k h GLN 33 N 0.45 0.00 -0.00 3.45 4.20 -1.35 -1.09 115.11 120.77 2k3k h GLN 33 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2k3k h GLN 33 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2k3k h GLN 33 CO -0.03 0.00 -0.00 1.19 -0.67 0.00 0.00 178.83 179.32 2k3k n PHE 34 N -2.47 0.00 -1.15 2.96 3.72 -0.40 -4.88 117.46 115.24 2k3k n PHE 34 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k3k n PHE 34 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.66 0.58 2.70 1.37 0.00 -0.35 -2.24 105.19 107.90 2k3k n GLY 35 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.15 -1.58 1.61 0.00 -0.42 -3.37 117.38 111.46 2k3k n GLN 36 Ca 0.00 1.73 -0.50 0.00 -0.00 0.00 0.00 57.00 58.23 2k3k n GLN 36 Cb 0.21 -2.07 -0.05 0.00 0.00 0.00 0.00 30.24 28.34 2k3k n GLN 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2k3k n ILE 37 N 2.19 0.49 -0.06 1.69 2.08 -1.26 -1.50 119.36 123.00 2k3k n ILE 37 Ca -0.10 -0.12 -0.08 0.00 0.56 0.00 0.00 62.75 63.01 2k3k n ILE 37 Cb 0.15 -0.84 -0.06 0.00 -0.75 0.00 0.00 39.64 38.14 2k3k n ILE 37 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2k3k n LEU 38 N 2.25 2.49 -3.56 1.39 7.94 0.56 -4.75 117.00 123.33 2k3k n LEU 38 Ca 0.16 -0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.90 2k3k n LEU 38 Cb 0.22 -0.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.83 2k3k n LEU 38 CO 0.62 0.63 0.36 -0.62 -1.11 0.00 0.00 177.39 177.26 2k3k s ASP 39 N -5.00 -0.43 0.01 1.96 2.15 -0.62 -4.97 116.67 109.76 2k3k s ASP 39 Ca -0.14 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2k3k s ASP 39 Cb 0.04 0.60 -0.01 0.00 -0.30 0.00 0.00 42.92 43.25 2k3k s ASP 39 CO 0.30 -1.03 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.62 2k3k s ILE 40 N -3.80 0.13 -0.26 4.11 1.01 -1.26 -0.44 121.20 120.68 2k3k s ILE 40 Ca 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2k3k s ILE 40 Cb -0.01 -0.18 0.09 0.00 0.01 0.00 0.00 42.46 42.37 2k3k s ILE 40 CO -0.08 -0.17 0.12 -0.69 0.00 0.00 0.00 174.94 174.11 2k3k s VAL 41 N -0.58 -0.02 0.17 2.92 1.01 0.15 -4.98 120.40 119.07 2k3k s VAL 41 Ca -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2k3k s VAL 41 Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2k3k s VAL 41 CO -0.00 -0.62 0.21 0.00 0.00 0.00 0.00 175.10 174.69 2k3k s ALA 42 N 2.08 0.46 0.15 5.51 0.00 -1.26 -0.92 121.76 127.78 2k3k s ALA 42 Ca 0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2k3k s ALA 42 Cb -0.16 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2k3k s ALA 42 CO -0.30 -0.61 0.12 -0.51 0.00 0.00 0.00 175.76 174.46 2k3k s LEU 43 N -3.04 1.49 0.22 0.00 1.43 -0.18 -4.98 118.68 113.63 2k3k s LEU 43 Ca 0.24 -1.18 0.26 0.00 -1.03 0.00 0.00 54.13 52.42 2k3k s LEU 43 Cb 0.05 0.49 0.84 0.00 0.03 0.00 0.00 46.19 47.61 2k3k s LEU 43 CO 0.04 -0.79 1.77 2.29 0.23 0.00 0.00 176.35 179.89 2k3k n LYS 44 N -0.15 0.25 -2.08 1.70 2.85 -1.26 -3.52 118.16 115.95 2k3k n LYS 44 Ca -0.04 0.26 -0.41 0.00 -1.05 0.00 0.00 58.31 57.07 2k3k n LYS 44 Cb 0.64 -1.82 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 2k3k n LYS 44 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2k3k s THR 45 N -3.15 2.69 0.18 0.58 -4.23 -1.26 -4.85 115.64 105.61 2k3k s THR 45 Ca 0.09 0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 61.03 2k3k s THR 45 Cb 0.12 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2k3k s THR 45 CO 0.56 0.14 1.57 0.25 -0.54 0.00 0.00 174.62 176.60 2k3k h LEU 46 N 3.82 -1.38 -0.38 4.79 5.85 -1.96 -2.03 115.31 124.02 2k3k h LEU 46 Ca -0.48 0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 2k3k h LEU 46 Cb 1.22 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2k3k h LEU 46 CO 0.69 -0.32 -0.02 0.50 -0.34 0.00 0.00 178.44 178.95 2k3k h LYS 47 N -0.18 0.69 -0.44 1.25 3.64 -1.94 -0.16 116.57 119.43 2k3k h LYS 47 Ca 0.21 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2k3k h LYS 47 Cb 0.56 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2k3k h LYS 47 CO -0.72 0.80 0.00 -1.33 -2.27 0.00 0.00 179.45 175.93 2k3k n MET 48 N -4.44 0.94 -0.01 1.90 2.81 -0.96 -1.10 117.12 116.25 2k3k n MET 48 Ca -0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 2k3k n MET 48 Cb 0.30 -1.22 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.25 3.01 0.03 0.03 0.63 -0.52 -1.01 116.66 118.58 2k3k n ARG 49 Ca 0.00 -0.01 0.13 0.00 -0.92 0.00 0.00 57.85 57.05 2k3k n ARG 49 Cb 0.11 -1.08 0.35 0.00 0.45 0.00 0.00 32.46 32.29 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 2.74 -1.43 3.31 5.14 0.00 -0.19 -4.16 105.19 110.61 2k3k n GLY 50 Ca -0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.06 1.24 0.28 1.61 -0.21 -0.26 -1.84 119.66 117.42 2k3k s GLN 51 Ca 0.10 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.74 2k3k s GLN 51 Cb 0.16 -0.75 0.01 0.00 1.00 0.00 0.00 33.01 33.43 2k3k s GLN 51 CO 0.65 0.03 0.64 0.00 -2.12 0.00 0.00 175.29 174.49 2k3k s ALA 52 N -3.27 -0.76 0.06 6.09 0.00 -0.66 -4.46 121.76 118.75 2k3k s ALA 52 Ca 0.23 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2k3k s ALA 52 Cb 0.03 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2k3k s ALA 52 CO 0.05 -0.96 -0.07 -0.06 0.00 0.00 0.00 175.76 174.72 2k3k s PHE 53 N -3.75 0.71 -0.19 0.00 0.40 -0.10 -0.73 117.98 114.32 2k3k s PHE 53 Ca 0.16 -0.71 -0.20 0.00 -0.60 0.00 0.00 56.93 55.58 2k3k s PHE 53 Cb -0.04 -0.43 0.05 0.00 0.51 0.00 0.00 43.02 43.11 2k3k s PHE 53 CO 0.09 -0.14 0.55 0.54 0.70 0.00 0.00 175.22 176.96 2k3k s VAL 54 N -2.46 0.00 -0.00 -0.44 0.11 -0.94 -0.67 120.40 116.00 2k3k s VAL 54 Ca -0.01 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2k3k s VAL 54 Cb -0.03 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2k3k s VAL 54 CO -0.03 -0.01 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.93 2k3k s ILE 55 N 0.12 2.80 0.39 7.04 1.09 0.41 -1.23 121.20 131.82 2k3k s ILE 55 Ca -0.01 -0.98 0.04 0.00 -1.10 0.00 0.00 60.65 58.60 2k3k s ILE 55 Cb -0.04 -2.12 -0.05 0.00 -1.06 0.00 0.00 42.46 39.19 2k3k s ILE 55 CO 0.02 0.48 0.05 -0.36 -0.10 0.00 0.00 174.94 175.02 2k3k s PHE 56 N -0.80 2.08 0.24 3.97 0.08 -0.39 -0.32 117.98 122.83 2k3k s PHE 56 Ca 0.13 -0.92 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 2k3k s PHE 56 Cb -0.10 -1.46 0.41 0.00 -0.57 0.00 0.00 43.02 41.30 2k3k s PHE 56 CO 0.02 0.12 1.68 -0.22 -0.10 0.00 0.00 175.22 176.72 2k3k h LYS 57 N 1.85 0.21 -3.19 0.44 3.64 -1.27 -3.42 116.57 114.83 2k3k h LYS 57 Ca -0.41 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2k3k h LYS 57 Cb 1.26 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 2k3k h LYS 57 CO 0.72 0.14 0.08 -2.00 -2.27 0.00 0.00 179.45 176.11 2k3k s GLU 58 N -6.08 1.22 0.42 1.90 2.12 -1.26 -5.03 118.70 111.99 2k3k s GLU 58 Ca -0.13 -0.62 0.09 0.00 0.36 0.00 0.00 54.97 54.67 2k3k s GLU 58 Cb 0.21 0.54 0.90 0.00 0.26 0.00 0.00 34.13 36.03 2k3k s GLU 58 CO 0.75 -0.51 2.04 -0.84 -0.54 0.00 0.00 175.26 176.15 2k3k h ILE 59 N 2.16 1.05 -0.14 -3.70 3.07 -1.88 0.51 117.51 118.59 2k3k h ILE 59 Ca -0.33 -0.18 -0.19 0.00 1.55 0.00 0.00 64.86 65.71 2k3k h ILE 59 Cb 1.28 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2k3k h ILE 59 CO 0.41 0.09 -0.70 1.23 -1.05 0.00 0.00 178.15 178.13 2k3k h GLY 60 N 0.52 0.66 1.02 0.16 0.00 -1.97 -1.08 103.07 102.38 2k3k h GLY 60 Ca 0.19 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 2k3k h GLY 60 CO -0.05 0.79 -0.08 1.76 0.00 0.00 0.00 176.54 178.96 2k3k h SER 61 N 0.42 0.88 -0.27 0.19 0.02 -1.64 -0.96 113.55 112.19 2k3k h SER 61 Ca -0.03 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 2k3k h SER 61 Cb 1.29 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2k3k h SER 61 CO 0.13 1.02 0.10 0.00 -1.14 0.00 0.00 176.83 176.95 2k3k h ALA 62 N 0.89 0.31 -0.76 3.77 0.00 -0.89 -1.29 119.26 121.29 2k3k h ALA 62 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k3k h ALA 62 Cb 0.62 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2k3k h ALA 62 CO 0.04 -0.30 0.49 0.77 0.00 0.00 0.00 179.25 180.25 2k3k h SER 63 N 0.23 0.82 -0.24 0.00 0.02 -0.85 0.49 113.55 114.02 2k3k h SER 63 Ca 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2k3k h SER 63 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k3k h SER 63 CO -0.11 0.57 0.02 -1.13 -1.14 0.00 0.00 176.83 175.04 2k3k h ASN 64 N 0.96 0.39 -0.09 3.07 -1.24 -0.91 -1.08 115.58 116.68 2k3k h ASN 64 Ca 0.30 -0.28 0.03 0.00 0.71 0.00 0.00 56.30 57.05 2k3k h ASN 64 Cb -0.02 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 2k3k h ASN 64 CO -0.10 0.58 -0.07 0.00 -1.29 0.00 0.00 177.43 176.56 2k3k h ALA 65 N 0.83 0.01 0.27 1.57 0.00 -0.78 -0.78 119.26 120.39 2k3k h ALA 65 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k3k h ALA 65 Cb 0.36 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2k3k h ALA 65 CO 0.01 -0.53 -0.49 1.25 0.00 0.00 0.00 179.25 179.49 2k3k h LEU 66 N -0.07 -1.41 -0.68 0.00 6.46 -0.77 -0.75 115.31 118.09 2k3k h LEU 66 Ca 0.06 0.14 -0.14 0.00 -0.12 0.00 0.00 57.88 57.82 2k3k h LEU 66 Cb 0.16 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2k3k h LEU 66 CO -0.13 -0.58 -0.44 0.03 -0.62 0.00 0.00 178.44 176.69 2k3k h ARG 67 N -0.83 0.51 -0.55 1.25 3.08 -1.12 -0.28 114.38 116.44 2k3k h ARG 67 Ca -0.02 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 2k3k h ARG 67 Cb 0.78 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2k3k h ARG 67 CO -0.19 0.85 -0.07 1.15 -1.07 0.00 0.00 179.97 180.65 2k3k h THR 68 N 0.41 1.27 -0.00 2.04 2.02 -0.98 -3.21 112.91 114.46 2k3k h THR 68 Ca 0.03 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2k3k h THR 68 Cb 0.94 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k3k h THR 68 CO 0.08 0.43 -0.49 0.23 0.37 0.00 0.00 175.52 176.15 2k3k n MET 69 N -4.18 0.24 -1.68 6.66 2.81 -0.30 -4.72 117.12 115.94 2k3k n MET 69 Ca 0.02 -0.15 -0.47 0.00 -1.81 0.00 0.00 57.70 55.28 2k3k n MET 69 Cb 0.38 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.25 2.19 -0.83 0.03 -0.06 -0.14 -1.24 117.38 116.09 2k3k n GLN 70 Ca 0.07 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 2k3k n GLN 70 Cb 0.34 -2.62 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 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 4.07 0.67 3.75 1.69 0.00 -0.45 -4.98 105.19 109.94 2k3k n GLY 71 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2k3k n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3k s PHE 72 N -2.99 3.46 -1.21 1.61 5.36 -0.37 -4.35 117.98 119.49 2k3k s PHE 72 Ca 0.00 1.57 -0.20 0.00 -0.96 0.00 0.00 56.93 57.34 2k3k s PHE 72 Cb 0.00 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 2k3k s PHE 72 CO 0.00 -0.93 1.90 -0.35 -1.46 0.00 0.00 175.22 174.38 2k3k n PRO 73 N 1.61 2.36 0.09 10.12 -0.04 -1.26 -0.89 135.00 147.00 2k3k n PRO 73 Ca 0.01 -2.70 0.04 0.00 -0.04 0.00 0.00 63.50 60.81 2k3k n PRO 73 Cb 0.44 -3.46 0.43 0.00 -0.04 0.00 0.00 33.50 30.88 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 8.09 0.32 -1.18 0.54 3.57 -1.92 -3.45 116.94 122.91 2k3k h PHE 74 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2k3k h PHE 74 Cb 0.83 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2k3k h PHE 74 CO 1.33 0.31 0.00 0.66 -2.23 0.00 0.00 178.31 178.38 2k3k n TYR 75 N -4.38 -0.04 0.36 0.41 4.01 -1.26 -5.02 117.16 111.23 2k3k n TYR 75 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2k3k n TYR 75 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.44 0.26 -3.90 7.72 2.03 -1.26 -4.52 116.55 116.44 2k3k n ASP 76 Ca 0.00 -0.62 -0.14 0.00 0.52 0.00 0.00 54.79 54.55 2k3k n ASP 76 Cb 0.00 -0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.15 0.20 0.14 -0.67 1.02 -1.26 -5.06 119.74 112.96 2k3k s LYS 77 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.62 2k3k s LYS 77 Cb 0.00 -0.22 -0.08 0.00 -0.52 0.00 0.00 37.83 37.01 2k3k s LYS 77 CO 0.00 0.03 1.37 -1.25 -0.92 0.00 0.00 175.35 174.58 2k3k s PRO 78 N 0.07 4.34 0.58 -1.68 0.04 -1.26 -3.80 135.00 133.28 2k3k s PRO 78 Ca -0.00 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 2k3k s PRO 78 Cb -0.02 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2k3k s PRO 78 CO -0.00 -0.39 1.30 -1.64 0.04 0.00 0.00 177.00 176.31 2k3k s MET 79 N 0.76 2.96 -0.10 4.56 -1.94 -0.06 -4.79 119.30 120.69 2k3k s MET 79 Ca 0.62 2.08 0.02 0.00 -1.71 0.00 0.00 55.69 56.70 2k3k s MET 79 Cb -0.37 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 34.41 2k3k s MET 79 CO 0.32 -1.28 -0.14 -0.65 -0.01 0.00 0.00 175.02 173.27 2k3k s GLN 80 N -3.12 2.01 0.07 2.03 -1.52 -0.63 -1.34 119.66 117.16 2k3k s GLN 80 Ca 0.76 -0.49 0.04 0.00 -1.95 0.00 0.00 55.36 53.72 2k3k s GLN 80 Cb -0.37 -1.74 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 2k3k s GLN 80 CO 0.42 -0.07 -0.12 0.42 -0.25 0.00 0.00 175.29 175.69 2k3k s ILE 81 N 1.00 0.96 0.19 1.08 1.01 -1.26 -0.28 121.20 123.90 2k3k s ILE 81 Ca -0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 60.65 59.21 2k3k s ILE 81 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2k3k s ILE 81 CO -0.01 -0.32 0.21 0.00 0.00 0.00 0.00 174.94 174.82 2k3k s ALA 82 N -1.52 0.64 0.35 9.38 0.00 -0.26 -5.01 121.76 125.34 2k3k s ALA 82 Ca -0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.32 2k3k s ALA 82 Cb -0.09 1.14 -0.10 0.00 0.00 0.00 0.00 23.12 24.08 2k3k s ALA 82 CO 0.02 -0.63 0.98 1.52 0.00 0.00 0.00 175.76 177.64 2k3k s TYR 83 N -4.08 3.53 1.02 0.00 1.13 -1.26 -0.71 117.35 116.98 2k3k s TYR 83 Ca 0.29 1.73 -0.12 0.00 -1.41 0.00 0.00 57.07 57.56 2k3k s TYR 83 Cb 0.05 -2.99 0.20 0.00 -1.10 0.00 0.00 41.96 38.12 2k3k s TYR 83 CO 0.08 -0.09 1.08 -1.12 -2.51 0.00 0.00 175.55 172.98 2k3k s SER 84 N -1.61 2.28 0.37 -0.18 0.01 -0.88 -4.67 113.70 109.02 2k3k s SER 84 Ca 0.53 1.57 0.01 0.00 1.31 0.00 0.00 55.95 59.37 2k3k s SER 84 Cb -0.19 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.80 2k3k s SER 84 CO 0.25 -3.40 0.07 0.29 0.41 0.00 0.00 173.24 170.86 2k3k n LYS 85 N -4.39 1.08 -1.54 12.44 4.76 -1.26 -5.00 118.16 124.25 2k3k n LYS 85 Ca 0.06 -2.57 -0.37 0.00 -2.87 0.00 0.00 58.31 52.55 2k3k n LYS 85 Cb 0.55 0.60 0.05 0.00 -1.84 0.00 0.00 35.03 34.38 2k3k n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3k n SER 86 N -1.38 0.10 -0.20 4.39 7.64 -1.26 -4.68 113.62 118.24 2k3k n SER 86 Ca -0.12 0.76 -0.01 0.00 1.01 0.00 0.00 58.87 60.51 2k3k n SER 86 Cb 0.45 -1.32 0.10 0.00 -1.01 0.00 0.00 64.21 62.43 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 87 N 0.28 0.29 -0.50 6.43 3.58 -1.99 -0.52 116.42 123.98 2k3k h ASP 87 Ca -0.47 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.01 2k3k h ASP 87 Cb 1.37 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.42 2k3k h ASP 87 CO 0.49 0.18 0.21 0.28 -2.88 0.00 0.00 179.24 177.51 2k3k h SER 88 N 0.46 0.72 0.49 2.28 0.02 -1.99 -1.42 113.55 114.11 2k3k h SER 88 Ca 0.29 -0.09 -0.26 0.00 -0.84 0.00 0.00 61.79 60.89 2k3k h SER 88 Cb 0.32 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.68 2k3k h SER 88 CO -0.27 0.66 -1.13 -0.78 -1.14 0.00 0.00 176.83 174.18 2k3k h ASP 89 N 0.78 0.49 0.30 3.07 3.58 -1.48 -0.51 116.42 122.66 2k3k h ASP 89 Ca 0.19 -0.47 -0.09 0.00 0.42 0.00 0.00 57.03 57.08 2k3k h ASP 89 Cb 0.17 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k3k h ASP 89 CO -0.02 1.32 -0.37 0.16 -2.88 0.00 0.00 179.24 177.46 2k3k h ILE 90 N 0.14 1.28 -0.68 2.25 3.07 -1.19 -0.82 117.51 121.56 2k3k h ILE 90 Ca -0.12 -1.33 -0.04 0.00 1.55 0.00 0.00 64.86 64.92 2k3k h ILE 90 Cb 1.82 1.65 -0.03 0.00 -0.27 0.00 0.00 36.82 39.99 2k3k h ILE 90 CO 0.19 0.39 0.25 0.58 -1.05 0.00 0.00 178.15 178.51 2k3k h VAL 91 N 0.08 1.25 -0.61 0.16 2.07 -0.93 -1.36 116.25 116.91 2k3k h VAL 91 Ca 0.01 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2k3k h VAL 91 Cb 0.69 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2k3k h VAL 91 CO 0.05 0.32 0.34 0.00 0.02 0.00 0.00 177.57 178.30 2k3k h ALA 92 N 1.11 0.79 -0.30 1.67 0.00 -0.46 -0.41 119.26 121.67 2k3k h ALA 92 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k3k h ALA 92 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k3k h ALA 92 CO -0.01 0.03 0.18 0.87 0.00 0.00 0.00 179.25 180.32 2k3k h LYS 93 N 0.65 0.40 0.00 0.00 1.57 -0.63 -2.33 116.57 116.24 2k3k h LYS 93 Ca 0.26 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2k3k h LYS 93 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2k3k h LYS 93 CO -0.15 0.30 -0.55 -0.84 -0.57 0.00 0.00 179.45 177.65 2k3k h ILE 94 N 0.38 1.38 0.00 1.86 3.07 -1.15 -3.48 117.51 119.56 2k3k h ILE 94 Ca 0.11 -1.88 0.00 0.00 1.55 0.00 0.00 64.86 64.64 2k3k h ILE 94 Cb 0.00 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2k3k h ILE 94 CO -0.02 0.53 0.00 1.17 -1.05 0.00 0.00 178.15 178.78 2k3k n LYS 95 N -3.87 0.00 -3.98 0.16 4.81 -0.19 -4.98 118.16 110.12 2k3k n LYS 95 Ca -0.01 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.47 2k3k n LYS 95 Cb 0.56 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.62 2k3k n LYS 95 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2k3k s GLY 96 N 0.00 -0.25 0.63 3.14 0.00 -1.05 -4.72 107.32 105.07 2k3k s GLY 96 Ca 0.00 0.26 0.39 0.00 0.00 0.00 0.00 44.72 45.37 2k3k s GLY 96 CO 0.00 6.07 2.30 -0.91 0.00 0.00 0.00 173.10 180.56 2k3k h THR 97 N 2.00 0.20 0.00 0.90 1.35 -1.93 -2.16 112.91 113.27 2k3k h THR 97 Ca -0.21 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2k3k h THR 97 Cb 1.17 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2k3k h THR 97 CO 0.29 0.01 0.00 0.33 -0.25 0.00 0.00 175.52 175.90 2k3k n PHE 98 N -3.35 0.00 -1.00 4.73 7.35 -1.26 -0.52 117.46 123.41 2k3k n PHE 98 Ca -0.03 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.75 2k3k n PHE 98 Cb 0.10 -0.41 0.23 0.00 0.35 0.00 0.00 39.48 39.75 2k3k n PHE 98 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2k3k n LYS 99 N -1.41 2.51 0.04 -4.13 -0.00 -0.81 -4.25 118.16 110.11 2k3k n LYS 99 Ca 0.03 -2.77 0.00 0.00 -0.00 0.00 0.00 58.31 55.58 2k3k n LYS 99 Cb 0.10 -1.75 0.00 0.00 -0.00 0.00 0.00 35.03 33.38 2k3k n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k3k n GLU 100 N -0.74 0.00 -3.15 -1.58 2.13 -0.16 -4.98 120.64 112.17 2k3k n GLU 100 Ca 0.20 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.82 2k3k n GLU 100 Cb 0.82 -0.26 -0.04 0.00 0.27 0.00 0.00 31.44 32.24 2k3k n GLU 100 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k3k n ARG 101 N -3.06 0.86 -0.19 5.31 1.74 0.33 -4.95 116.66 116.70 2k3k n ARG 101 Ca 0.00 -3.18 -0.06 0.00 -0.77 0.00 0.00 57.85 53.84 2k3k n ARG 101 Cb 0.15 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.23 2k3k n ARG 101 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2k3k h PRO 102 N 3.44 0.98 -2.42 5.56 0.13 -1.73 -2.97 132.00 134.99 2k3k h PRO 102 Ca 0.07 -0.25 -0.54 0.00 -0.87 0.00 0.00 66.00 64.40 2k3k h PRO 102 Cb 0.94 -0.12 -0.09 0.00 0.13 0.00 0.00 31.00 31.86 2k3k h PRO 102 CO 0.46 0.91 1.64 1.63 -0.23 0.00 0.00 178.00 182.42 2k3k n LYS 103 N -4.22 3.28 0.00 0.86 4.01 -1.26 -5.03 118.16 115.80 2k3k n LYS 103 Ca 0.04 -2.35 0.00 0.00 -0.51 0.00 0.00 58.31 55.48 2k3k n LYS 103 Cb 0.28 -2.41 0.00 0.00 -0.51 0.00 0.00 35.03 32.39 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46