#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 1.80 0.30 0.03 8.01 -1.26 -5.12 118.70 122.45 2k3k s GLU 2 Ca 0.00 -2.07 -0.29 0.00 0.01 0.00 0.00 54.97 52.62 2k3k s GLU 2 Cb 0.00 -0.31 -0.13 0.00 -4.31 0.00 0.00 34.13 29.38 2k3k s GLU 2 CO 0.00 -0.49 1.37 -1.33 0.01 0.00 0.00 175.26 174.82 2k3k n MET 3 N -0.76 2.18 -2.16 1.61 2.81 -1.26 -4.94 117.12 114.60 2k3k n MET 3 Ca -0.02 0.77 -0.35 0.00 -1.81 0.00 0.00 57.70 56.30 2k3k n MET 3 Cb 0.64 -2.41 0.01 0.00 -0.71 0.00 0.00 33.22 30.76 2k3k n MET 3 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k3k s LEU 4 N -0.58 3.69 0.28 4.03 1.43 -1.26 -4.98 118.68 121.29 2k3k s LEU 4 Ca 0.61 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 2k3k s LEU 4 Cb -0.59 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 40.92 2k3k s LEU 4 CO 0.56 -1.33 1.24 -2.65 0.23 0.00 0.00 176.35 174.40 2k3k n PRO 5 N -1.49 1.80 -3.64 1.29 -0.02 -1.26 -4.68 135.00 126.99 2k3k n PRO 5 Ca 0.12 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2k3k n PRO 5 Cb 0.51 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.15 -0.76 0.54 2.55 3.84 -1.26 -5.05 114.94 114.65 2k3k s ASN 6 Ca 0.62 1.39 0.36 0.00 0.21 0.00 0.00 52.86 55.44 2k3k s ASN 6 Cb -0.66 1.37 1.86 0.00 -0.55 0.00 0.00 41.25 43.27 2k3k s ASN 6 CO 0.57 -0.24 2.10 -0.61 -2.79 0.00 0.00 177.10 176.13 2k3k h GLN 7 N 5.57 0.00 -6.04 0.43 4.15 -1.87 -3.41 115.11 113.94 2k3k h GLN 7 Ca -0.29 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 -0.29 0.00 0.21 0.00 0.00 27.48 28.58 2k3k h GLN 7 CO 0.10 0.00 -0.85 0.99 -1.93 0.00 0.00 178.83 177.14 2k3k s THR 8 N -3.87 2.37 0.37 2.39 2.01 -1.26 -1.62 115.64 116.03 2k3k s THR 8 Ca -0.03 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.10 2k3k s THR 8 Cb 0.11 -1.89 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 2k3k s THR 8 CO 0.39 0.57 -0.01 0.27 -0.69 0.00 0.00 174.62 175.14 2k3k s ILE 9 N -0.25 2.26 -0.07 1.82 -4.36 -0.33 -1.96 121.20 118.32 2k3k s ILE 9 Ca -0.00 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 2k3k s ILE 9 Cb -0.13 -2.82 0.03 0.00 1.25 0.00 0.00 42.46 40.79 2k3k s ILE 9 CO 0.03 -0.12 0.01 -0.47 0.24 0.00 0.00 174.94 174.63 2k3k s TYR 10 N -2.62 0.58 -0.14 1.37 5.04 0.23 -2.24 117.35 119.57 2k3k s TYR 10 Ca 0.35 -0.11 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 2k3k s TYR 10 Cb 0.04 -0.75 -0.05 0.00 0.35 0.00 0.00 41.96 41.55 2k3k s TYR 10 CO 0.18 -0.31 0.19 0.42 -1.34 0.00 0.00 175.55 174.69 2k3k s ILE 11 N 2.00 5.39 0.00 3.14 1.01 0.02 -1.38 121.20 131.39 2k3k s ILE 11 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2k3k s ILE 11 Cb -0.12 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2k3k s ILE 11 CO -0.05 0.51 0.16 -3.20 0.00 0.00 0.00 174.94 172.36 2k3k n ASN 12 N 2.81 0.32 -2.58 3.58 2.85 0.36 -1.80 115.26 120.80 2k3k n ASN 12 Ca -0.16 -0.65 -0.05 0.00 -0.11 0.00 0.00 54.58 53.60 2k3k n ASN 12 Cb 0.53 0.37 0.04 0.00 1.24 0.00 0.00 39.78 41.97 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k3k n ASN 13 N -0.37 2.33 -4.77 1.20 5.15 -1.23 -4.74 115.26 112.83 2k3k n ASN 13 Ca 0.00 -2.44 -0.41 0.00 -0.60 0.00 0.00 54.58 51.13 2k3k n ASN 13 Cb 0.04 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 38.82 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 -3.64 4.41 -0.23 1.20 0.20 -0.65 -4.60 118.68 115.37 2k3k s LEU 14 Ca 0.33 2.73 -0.29 0.00 0.69 0.00 0.00 54.13 57.59 2k3k s LEU 14 Cb 0.34 -3.65 -0.03 0.00 -0.43 0.00 0.00 46.19 42.42 2k3k s LEU 14 CO -0.03 -0.58 1.72 0.21 -0.29 0.00 0.00 176.35 177.39 2k3k s ASN 15 N -0.41 6.19 0.12 3.68 3.84 -1.26 -4.47 114.94 122.63 2k3k s ASN 15 Ca 0.50 1.61 0.11 0.00 0.21 0.00 0.00 52.86 55.29 2k3k s ASN 15 Cb -0.41 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.31 2k3k s ASN 15 CO 0.54 -1.41 1.34 -1.84 -2.79 0.00 0.00 177.10 172.94 2k3k n GLU 16 N 7.93 0.06 0.19 0.43 0.00 -1.26 -1.79 120.64 126.20 2k3k n GLU 16 Ca 0.21 0.49 0.04 0.00 0.00 0.00 0.00 57.16 57.90 2k3k n GLU 16 Cb 0.45 -1.67 0.36 0.00 0.00 0.00 0.00 31.44 30.58 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 -6.79 3.44 2.10 -1.90 -3.44 116.57 109.98 2k3k h LYS 17 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2k3k h LYS 17 Cb 0.08 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.48 2k3k h LYS 17 CO 0.00 0.39 0.80 0.42 -2.00 0.00 0.00 179.45 179.06 2k3k s ILE 18 N -3.89 2.40 0.60 0.07 -1.09 -0.74 -4.99 121.20 113.56 2k3k s ILE 18 Ca -0.02 0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 2k3k s ILE 18 Cb 0.13 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2k3k s ILE 18 CO 0.70 0.06 1.07 -0.75 -1.23 0.00 0.00 174.94 174.79 2k3k s LYS 19 N -0.63 3.25 0.21 2.79 2.20 -1.26 -4.87 119.74 121.43 2k3k s LYS 19 Ca 0.60 1.28 -0.09 0.00 -0.36 0.00 0.00 55.97 57.39 2k3k s LYS 19 Cb -0.44 -2.02 0.28 0.00 -1.51 0.00 0.00 37.83 34.14 2k3k s LYS 19 CO 0.47 -0.88 1.76 -0.22 -0.36 0.00 0.00 175.35 176.12 2k3k h LYS 20 N 0.47 0.47 -0.79 4.03 3.64 -1.94 0.29 116.57 122.74 2k3k h LYS 20 Ca -0.47 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2k3k h LYS 20 Cb 1.23 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2k3k h LYS 20 CO 0.57 0.31 0.39 1.49 -2.27 0.00 0.00 179.45 179.94 2k3k h GLU 21 N 0.48 1.13 -0.14 1.90 4.81 -1.98 -0.05 114.58 120.74 2k3k h GLU 21 Ca 0.31 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 2k3k h GLU 21 Cb 0.35 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2k3k h GLU 21 CO -0.28 0.87 -0.65 0.93 -0.73 0.00 0.00 179.01 179.16 2k3k h GLU 22 N 1.12 0.52 0.15 1.92 4.39 -1.68 0.69 114.58 121.68 2k3k h GLU 22 Ca 0.27 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k3k h GLU 22 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2k3k h GLU 22 CO -0.04 1.00 -0.11 1.25 -1.16 0.00 0.00 179.01 179.95 2k3k h LEU 23 N 0.38 -0.27 -0.34 1.33 7.12 -0.78 0.43 115.31 123.18 2k3k h LEU 23 Ca -0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k3k h LEU 23 Cb 1.22 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2k3k h LEU 23 CO 0.12 -0.17 0.22 0.50 -0.13 0.00 0.00 178.44 178.97 2k3k h LYS 24 N -0.26 0.45 -0.19 1.25 3.64 -0.77 -0.75 116.57 119.94 2k3k h LYS 24 Ca -0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k3k h LYS 24 Cb 0.23 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2k3k h LYS 24 CO 0.00 0.32 0.05 -0.22 -2.27 0.00 0.00 179.45 177.32 2k3k h LYS 25 N 0.45 0.12 -0.49 1.90 1.63 -0.81 -1.40 116.57 117.97 2k3k h LYS 25 Ca 0.12 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2k3k h LYS 25 Cb -0.03 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2k3k h LYS 25 CO -0.03 0.08 0.17 0.77 -3.45 0.00 0.00 179.45 176.99 2k3k h SER 26 N 0.13 0.71 0.13 4.20 0.02 -0.35 0.23 113.55 118.60 2k3k h SER 26 Ca 0.08 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k3k h SER 26 Cb 0.07 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k3k h SER 26 CO -0.11 0.72 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.15 2k3k h LEU 27 N 0.66 -0.20 -1.45 5.07 3.38 -1.06 -1.38 115.31 120.34 2k3k h LEU 27 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2k3k h LEU 27 Cb 0.25 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2k3k h LEU 27 CO -0.01 -0.13 0.19 0.22 0.09 0.00 0.00 178.44 178.81 2k3k h TYR 28 N -0.20 0.55 -0.26 1.13 3.20 -0.93 -1.01 116.97 119.45 2k3k h TYR 28 Ca -0.01 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 2k3k h TYR 28 Cb 0.17 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2k3k h TYR 28 CO -0.09 0.42 -0.45 0.00 -1.64 0.00 0.00 178.16 176.40 2k3k h ALA 29 N 1.65 0.40 0.00 1.82 0.00 -0.09 -3.39 119.26 119.65 2k3k h ALA 29 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k3k h ALA 29 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3k h ALA 29 CO -0.02 0.54 -0.56 0.44 0.00 0.00 0.00 179.25 179.65 2k3k n ILE 30 N -4.14 0.00 -0.02 0.00 -5.35 -0.56 -4.75 119.36 104.54 2k3k n ILE 30 Ca -0.05 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.47 2k3k n ILE 30 Cb 0.57 -0.37 0.40 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.56 -0.51 4.28 -1.00 -1.31 -2.22 116.94 116.75 2k3k h PHE 31 Ca 0.00 0.01 0.15 0.00 2.81 0.00 0.00 57.97 60.94 2k3k h PHE 31 Cb 0.56 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 2k3k h PHE 31 CO 0.00 0.36 0.49 0.77 -1.61 0.00 0.00 178.31 178.33 2k3k h SER 32 N 0.60 0.00 0.52 2.17 0.02 -1.56 0.54 113.55 115.84 2k3k h SER 32 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2k3k h SER 32 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2k3k h SER 32 CO -0.03 0.00 -0.11 1.56 -1.14 0.00 0.00 176.83 177.11 2k3k h GLN 33 N 0.00 0.00 0.00 3.45 4.20 -1.70 -3.27 115.11 117.79 2k3k h GLN 33 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2k3k h GLN 33 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2k3k h GLN 33 CO -0.00 0.11 -0.87 1.19 -0.67 0.00 0.00 178.83 178.59 2k3k n PHE 34 N -3.47 0.00 -3.31 2.96 3.72 -0.00 -4.94 117.46 112.42 2k3k n PHE 34 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 2k3k n PHE 34 Cb 0.27 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.14 -0.63 0.01 1.37 0.00 -0.16 -3.59 107.32 102.18 2k3k s GLY 35 Ca 0.00 1.34 -0.33 0.00 0.00 0.00 0.00 44.72 45.72 2k3k s GLY 35 CO 0.00 2.92 1.82 -0.18 0.00 0.00 0.00 173.10 177.66 2k3k n GLN 36 N 5.39 2.35 -1.72 2.90 -0.06 -1.23 -3.51 117.38 121.50 2k3k n GLN 36 Ca -0.03 0.86 -0.38 0.00 -2.00 0.00 0.00 57.00 55.44 2k3k n GLN 36 Cb 0.50 -2.71 0.05 0.00 -4.06 0.00 0.00 30.24 24.02 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 4.76 3.94 0.00 1.69 2.08 -1.26 -2.05 119.36 128.51 2k3k n ILE 37 Ca 0.20 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.01 2k3k n ILE 37 Cb 0.32 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 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 -1.05 1.95 -3.61 1.39 7.94 0.57 -4.59 117.00 119.61 2k3k n LEU 38 Ca 0.12 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.91 2k3k n LEU 38 Cb 0.45 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.37 2k3k n LEU 38 CO 0.52 0.32 0.35 -0.62 -1.11 0.00 0.00 177.39 176.85 2k3k s ASP 39 N -3.58 -0.39 -0.00 1.96 2.15 -0.61 -4.97 116.67 111.23 2k3k s ASP 39 Ca 0.00 -0.27 -0.02 0.00 0.43 0.00 0.00 52.55 52.69 2k3k s ASP 39 Cb 0.00 0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2k3k s ASP 39 CO 0.00 -1.04 0.03 -0.63 -0.17 0.00 0.00 175.17 173.36 2k3k s ILE 40 N -3.82 0.04 -0.09 4.11 1.01 -1.26 -0.44 121.20 120.74 2k3k s ILE 40 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2k3k s ILE 40 Cb -0.01 -0.15 0.04 0.00 0.01 0.00 0.00 42.46 42.35 2k3k s ILE 40 CO -0.07 -0.17 0.08 -0.69 0.00 0.00 0.00 174.94 174.10 2k3k s VAL 41 N -0.50 -0.12 0.19 2.92 1.01 -0.04 -4.98 120.40 118.88 2k3k s VAL 41 Ca -0.06 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2k3k s VAL 41 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2k3k s VAL 41 CO -0.00 0.02 0.30 0.00 0.00 0.00 0.00 175.10 175.42 2k3k s ALA 42 N 2.18 0.19 0.21 5.51 0.00 -1.26 -0.87 121.76 127.72 2k3k s ALA 42 Ca 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 2k3k s ALA 42 Cb -0.13 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2k3k s ALA 42 CO -0.05 -0.69 0.21 -0.51 0.00 0.00 0.00 175.76 174.72 2k3k s LEU 43 N -3.02 0.96 0.34 0.00 1.43 0.13 -4.98 118.68 113.53 2k3k s LEU 43 Ca 0.23 -1.27 0.16 0.00 -1.03 0.00 0.00 54.13 52.22 2k3k s LEU 43 Cb 0.03 0.72 0.54 0.00 0.03 0.00 0.00 46.19 47.51 2k3k s LEU 43 CO 0.05 -0.91 1.68 0.11 0.23 0.00 0.00 176.35 177.51 2k3k h LYS 44 N 2.54 0.00 -6.64 1.70 1.79 -1.96 -3.31 116.57 110.69 2k3k h LYS 44 Ca -0.34 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.59 2k3k h LYS 44 Cb 1.25 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.96 2k3k h LYS 44 CO 0.49 0.46 0.92 2.41 -1.08 0.00 0.00 179.45 182.65 2k3k n THR 45 N -3.60 0.21 -0.24 -0.16 -1.04 -1.26 -4.76 114.28 103.43 2k3k n THR 45 Ca -0.00 -0.05 0.05 0.00 -2.04 0.00 0.00 64.05 62.00 2k3k n THR 45 Cb 0.56 -1.85 0.17 0.00 -1.82 0.00 0.00 70.33 67.39 2k3k n THR 45 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2k3k h LEU 46 N 6.13 0.04 -2.57 -4.42 5.85 -1.97 -0.09 115.31 118.29 2k3k h LEU 46 Ca -0.44 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2k3k h LEU 46 Cb 1.22 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2k3k h LEU 46 CO 0.91 -0.01 0.02 0.50 -0.34 0.00 0.00 178.44 179.51 2k3k h LYS 47 N 0.29 0.00 0.00 1.25 3.64 -1.95 0.22 116.57 120.02 2k3k h LYS 47 Ca 0.40 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 2k3k h LYS 47 Cb 0.66 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 2k3k h LYS 47 CO -0.48 0.00 -0.47 -1.33 -2.27 0.00 0.00 179.45 174.90 2k3k n MET 48 N -2.87 0.84 0.00 1.90 2.81 -0.14 -4.17 117.12 115.49 2k3k n MET 48 Ca -0.03 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 2k3k n MET 48 Cb 0.08 -1.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.64 3.67 0.00 0.03 0.63 -0.28 -0.69 116.66 119.37 2k3k n ARG 49 Ca 0.11 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.17 2k3k n ARG 49 Cb 0.77 -0.99 0.42 0.00 0.45 0.00 0.00 32.46 33.11 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 2.98 -1.18 3.22 5.14 0.00 -0.09 -4.06 105.19 111.19 2k3k n GLY 50 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.85 1.06 0.24 1.61 1.11 -1.26 -1.64 119.66 117.93 2k3k s GLN 51 Ca 0.16 -1.51 -0.15 0.00 0.01 0.00 0.00 55.36 53.88 2k3k s GLN 51 Cb 0.19 -0.18 0.01 0.00 -1.01 0.00 0.00 33.01 32.01 2k3k s GLN 51 CO 0.60 -0.15 0.52 0.00 0.01 0.00 0.00 175.29 176.27 2k3k s ALA 52 N -3.72 -0.54 0.13 6.09 0.00 -0.75 -4.35 121.76 118.62 2k3k s ALA 52 Ca 0.23 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2k3k s ALA 52 Cb 0.06 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 2k3k s ALA 52 CO 0.03 -0.86 -0.20 -0.06 0.00 0.00 0.00 175.76 174.67 2k3k s PHE 53 N -3.97 1.80 -0.10 0.00 0.08 -0.05 -0.80 117.98 114.94 2k3k s PHE 53 Ca 0.17 -0.44 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 2k3k s PHE 53 Cb -0.01 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2k3k s PHE 53 CO 0.06 0.26 0.37 0.54 -0.10 0.00 0.00 175.22 176.34 2k3k s VAL 54 N -1.54 0.02 -0.03 -0.44 0.11 -0.95 -0.86 120.40 116.72 2k3k s VAL 54 Ca 0.10 -0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.09 2k3k s VAL 54 Cb -0.08 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2k3k s VAL 54 CO 0.05 -0.07 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.89 2k3k s ILE 55 N -0.25 2.29 0.37 7.04 1.09 0.41 -1.18 121.20 130.97 2k3k s ILE 55 Ca -0.04 -1.02 0.05 0.00 -1.10 0.00 0.00 60.65 58.54 2k3k s ILE 55 Cb -0.03 -1.82 -0.07 0.00 -1.06 0.00 0.00 42.46 39.48 2k3k s ILE 55 CO 0.02 0.58 0.04 -0.36 -0.10 0.00 0.00 174.94 175.12 2k3k s PHE 56 N -0.63 2.20 0.42 3.97 0.40 -0.64 -0.31 117.98 123.39 2k3k s PHE 56 Ca 0.10 -0.84 0.09 0.00 -0.60 0.00 0.00 56.93 55.68 2k3k s PHE 56 Cb -0.10 -1.52 0.90 0.00 0.51 0.00 0.00 43.02 42.82 2k3k s PHE 56 CO -0.01 0.20 2.03 0.87 0.70 0.00 0.00 175.22 179.01 2k3k h LYS 57 N 1.91 0.35 -3.00 0.44 1.79 -1.66 -3.42 116.57 112.98 2k3k h LYS 57 Ca -0.42 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 57.95 2k3k h LYS 57 Cb 1.25 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.67 2k3k h LYS 57 CO 0.74 0.30 -0.01 -2.00 -1.08 0.00 0.00 179.45 177.41 2k3k s GLU 58 N -5.17 1.03 0.45 3.15 2.56 -1.26 -5.05 118.70 114.42 2k3k s GLU 58 Ca -0.07 -0.39 0.11 0.00 0.00 0.00 0.00 54.97 54.62 2k3k s GLU 58 Cb 0.17 0.46 1.01 0.00 2.00 0.00 0.00 34.13 37.77 2k3k s GLU 58 CO 0.72 -0.38 2.06 -0.84 -0.56 0.00 0.00 175.26 176.26 2k3k h ILE 59 N 2.69 1.08 -0.21 -3.70 3.07 -1.88 -1.07 117.51 117.49 2k3k h ILE 59 Ca -0.32 -0.24 -0.16 0.00 1.55 0.00 0.00 64.86 65.69 2k3k h ILE 59 Cb 1.23 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 2k3k h ILE 59 CO 0.43 0.09 -0.51 1.23 -1.05 0.00 0.00 178.15 178.34 2k3k h GLY 60 N 0.37 0.65 0.94 0.16 0.00 -1.97 -0.54 103.07 102.68 2k3k h GLY 60 Ca 0.07 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 2k3k h GLY 60 CO -0.01 0.65 -0.08 1.76 0.00 0.00 0.00 176.54 178.86 2k3k h SER 61 N 0.46 0.68 -0.40 0.19 0.02 -1.67 -0.48 113.55 112.35 2k3k h SER 61 Ca 0.02 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2k3k h SER 61 Cb 1.05 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 2k3k h SER 61 CO 0.10 0.89 0.23 0.00 -1.14 0.00 0.00 176.83 176.91 2k3k h ALA 62 N 0.82 0.50 -0.53 3.77 0.00 -1.16 -0.57 119.26 122.10 2k3k h ALA 62 Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3k h ALA 62 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2k3k h ALA 62 CO 0.03 -0.11 0.35 0.77 0.00 0.00 0.00 179.25 180.29 2k3k h SER 63 N 0.47 0.60 -0.42 0.00 0.02 -0.85 -0.24 113.55 113.12 2k3k h SER 63 Ca 0.16 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2k3k h SER 63 Cb 0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2k3k h SER 63 CO -0.08 0.43 -0.26 -1.13 -1.14 0.00 0.00 176.83 174.65 2k3k h ASN 64 N 0.71 0.95 0.22 3.07 -1.24 -0.80 -0.60 115.58 117.89 2k3k h ASN 64 Ca 0.19 -0.42 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 2k3k h ASN 64 Cb -0.07 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 2k3k h ASN 64 CO -0.05 1.17 -0.17 0.00 -1.29 0.00 0.00 177.43 177.09 2k3k h ALA 65 N 0.81 -0.38 0.05 1.57 0.00 -0.94 -0.94 119.26 119.43 2k3k h ALA 65 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k3k h ALA 65 Cb 0.84 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2k3k h ALA 65 CO 0.07 -0.73 -0.35 1.25 0.00 0.00 0.00 179.25 179.49 2k3k h LEU 66 N -0.40 -1.05 -0.53 0.00 6.46 -0.87 -0.33 115.31 118.59 2k3k h LEU 66 Ca -0.01 0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.73 2k3k h LEU 66 Cb 0.36 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2k3k h LEU 66 CO -0.01 -0.42 -0.36 0.03 -0.62 0.00 0.00 178.44 177.05 2k3k h ARG 67 N -0.54 0.79 -0.31 1.25 3.08 -1.08 -0.62 114.38 116.94 2k3k h ARG 67 Ca 0.05 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 2k3k h ARG 67 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2k3k h ARG 67 CO -0.25 1.02 -0.25 1.15 -1.07 0.00 0.00 179.97 180.57 2k3k h THR 68 N 0.66 1.30 0.00 2.04 2.02 -0.99 -3.29 112.91 114.64 2k3k h THR 68 Ca 0.06 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2k3k h THR 68 Cb 0.92 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2k3k h THR 68 CO 0.08 0.45 -0.57 0.23 0.37 0.00 0.00 175.52 176.09 2k3k n MET 69 N -4.27 0.13 -1.66 6.66 2.81 -0.15 -4.71 117.12 115.94 2k3k n MET 69 Ca -0.03 0.03 -0.49 0.00 -1.81 0.00 0.00 57.70 55.40 2k3k n MET 69 Cb 0.45 -1.58 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 2k3k n MET 69 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2k3k n GLN 70 N -1.77 1.85 -0.50 0.03 1.13 -0.25 -1.31 117.38 116.55 2k3k n GLN 70 Ca 0.04 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 2k3k n GLN 70 Cb 0.38 -2.42 0.00 0.00 0.11 0.00 0.00 30.24 28.31 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3k n GLY 71 N 3.48 1.44 3.76 1.08 0.00 -0.25 -4.94 105.19 109.77 2k3k n GLY 71 Ca 0.19 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 -2.99 3.29 -1.19 1.61 5.36 -0.43 -4.23 117.98 119.40 2k3k s PHE 72 Ca 0.00 1.52 -0.19 0.00 -0.96 0.00 0.00 56.93 57.31 2k3k s PHE 72 Cb 0.00 -3.51 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2k3k s PHE 72 CO 0.00 -1.30 1.97 -0.35 -1.46 0.00 0.00 175.22 174.08 2k3k n PRO 73 N 1.09 2.34 -0.04 10.12 -0.04 -1.26 -0.88 135.00 146.32 2k3k n PRO 73 Ca -0.00 -2.55 0.03 0.00 -0.04 0.00 0.00 63.50 60.94 2k3k n PRO 73 Cb 0.43 -3.33 0.38 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.60 0.61 -0.92 0.54 3.57 -1.92 -3.45 116.94 122.96 2k3k h PHE 74 Ca 0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2k3k h PHE 74 Cb 0.76 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k3k h PHE 74 CO 1.35 0.39 0.00 0.66 -2.23 0.00 0.00 178.31 178.47 2k3k n TYR 75 N -4.46 0.00 0.38 0.41 4.01 -1.26 -5.01 117.16 111.23 2k3k n TYR 75 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2k3k n TYR 75 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.65 -3.87 7.72 2.03 -1.26 -4.53 116.55 117.29 2k3k n ASP 76 Ca 0.00 -0.76 -0.14 0.00 0.52 0.00 0.00 54.79 54.41 2k3k n ASP 76 Cb 0.00 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.06 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3k s LYS 77 N -0.42 0.12 0.13 -0.67 1.02 -1.26 -5.04 119.74 113.62 2k3k s LYS 77 Ca 0.00 -0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.67 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 -0.01 1.37 -1.25 -0.92 0.00 0.00 175.35 174.54 2k3k s PRO 78 N 0.23 4.33 0.74 -1.68 0.04 -1.26 -3.72 135.00 133.68 2k3k s PRO 78 Ca -0.02 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 2k3k s PRO 78 Cb -0.04 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.31 2k3k s PRO 78 CO -0.01 -0.40 1.19 -1.64 0.04 0.00 0.00 177.00 176.18 2k3k s MET 79 N 0.82 2.10 -0.04 4.56 -1.94 -0.06 -4.81 119.30 119.93 2k3k s MET 79 Ca 0.63 1.68 0.01 0.00 -1.71 0.00 0.00 55.69 56.30 2k3k s MET 79 Cb -0.37 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 34.65 2k3k s MET 79 CO 0.32 -1.84 -0.05 -0.65 -0.01 0.00 0.00 175.02 172.79 2k3k s GLN 80 N -4.04 0.81 -0.03 2.03 -1.52 -1.26 -1.09 119.66 114.55 2k3k s GLN 80 Ca 0.72 -0.13 -0.08 0.00 -1.95 0.00 0.00 55.36 53.92 2k3k s GLN 80 Cb -0.27 -0.80 0.01 0.00 -0.22 0.00 0.00 33.01 31.73 2k3k s GLN 80 CO 0.46 -0.05 0.19 0.42 -0.25 0.00 0.00 175.29 176.07 2k3k s ILE 81 N 0.76 0.05 0.30 1.08 1.01 -1.26 -0.48 121.20 122.65 2k3k s ILE 81 Ca -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 2k3k s ILE 81 Cb -0.13 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 2k3k s ILE 81 CO 0.00 -0.22 0.45 0.00 0.00 0.00 0.00 174.94 175.18 2k3k s ALA 82 N -0.80 0.48 0.85 9.38 0.00 -0.48 -4.98 121.76 126.21 2k3k s ALA 82 Ca -0.09 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 2k3k s ALA 82 Cb -0.05 1.14 0.10 0.00 0.00 0.00 0.00 23.12 24.32 2k3k s ALA 82 CO 0.01 -0.79 1.11 1.52 0.00 0.00 0.00 175.76 177.61 2k3k s TYR 83 N -3.42 2.18 0.14 0.00 -0.85 -1.26 -0.60 117.35 113.54 2k3k s TYR 83 Ca 0.29 1.60 -0.34 0.00 -0.52 0.00 0.00 57.07 58.09 2k3k s TYR 83 Cb 0.00 -3.16 -0.14 0.00 0.38 0.00 0.00 41.96 39.04 2k3k s TYR 83 CO 0.16 -2.27 1.55 0.45 -1.52 0.00 0.00 175.55 173.92 2k3k n SER 84 N -3.85 2.87 -3.56 -0.18 2.88 -0.83 -4.36 113.62 106.59 2k3k n SER 84 Ca 0.10 1.08 -0.14 0.00 -1.33 0.00 0.00 58.87 58.58 2k3k n SER 84 Cb 0.53 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 2k3k n SER 84 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2k3k s LYS 85 N 0.99 1.05 0.00 -1.46 -2.85 -1.26 -5.01 119.74 111.20 2k3k s LYS 85 Ca 0.80 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 2k3k s LYS 85 Cb -0.73 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.53 2k3k s LYS 85 CO 0.40 -0.38 0.43 0.43 0.10 0.00 0.00 175.35 176.32 2k3k n SER 86 N 0.38 0.00 0.13 0.03 7.64 -1.26 -4.95 113.62 115.59 2k3k n SER 86 Ca -0.18 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2k3k n SER 86 Cb 0.60 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 -0.59 -0.27 6.43 2.03 -1.26 -4.82 116.55 118.08 2k3k n ASP 87 Ca 0.00 0.46 0.01 0.00 0.52 0.00 0.00 54.79 55.78 2k3k n ASP 87 Cb 0.51 0.73 0.22 0.00 -0.72 0.00 0.00 41.12 41.86 2k3k n ASP 87 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k3k h SER 88 N 0.00 0.92 0.21 1.67 0.02 -2.00 -1.70 113.55 112.68 2k3k h SER 88 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2k3k h SER 88 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2k3k h SER 88 CO 0.00 0.64 -0.10 -0.78 -1.14 0.00 0.00 176.83 175.45 2k3k h ASP 89 N 1.07 -0.24 0.07 3.07 3.58 -1.92 -1.96 116.42 120.08 2k3k h ASP 89 Ca 0.33 -0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 2k3k h ASP 89 Cb -0.02 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k3k h ASP 89 CO -0.09 -0.03 -0.27 0.16 -2.88 0.00 0.00 179.24 176.13 2k3k h ILE 90 N -0.45 1.26 -0.05 2.25 3.07 -1.75 0.17 117.51 122.01 2k3k h ILE 90 Ca -0.03 -1.22 -0.00 0.00 1.55 0.00 0.00 64.86 65.15 2k3k h ILE 90 Cb 0.34 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2k3k h ILE 90 CO 0.05 0.38 0.02 0.58 -1.05 0.00 0.00 178.15 178.13 2k3k h VAL 91 N 0.29 1.10 -0.20 0.16 2.07 -1.31 -1.13 116.25 117.24 2k3k h VAL 91 Ca 0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2k3k h VAL 91 Cb 0.64 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2k3k h VAL 91 CO 0.05 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.74 2k3k h ALA 92 N 0.91 1.68 -0.20 1.67 0.00 -0.53 -0.56 119.26 122.24 2k3k h ALA 92 Ca 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k3k h ALA 92 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k3k h ALA 92 CO -0.00 0.24 -0.07 -0.22 0.00 0.00 0.00 179.25 179.20 2k3k h LYS 93 N 0.28 0.41 -0.06 0.00 3.64 -0.27 0.68 116.57 121.24 2k3k h LYS 93 Ca 0.07 -0.17 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 2k3k h LYS 93 Cb 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2k3k h LYS 93 CO -0.00 0.68 -0.74 -0.84 -2.27 0.00 0.00 179.45 176.27 2k3k h ILE 94 N 0.11 1.40 0.00 2.00 3.07 -0.95 -3.06 117.51 120.08 2k3k h ILE 94 Ca 0.05 -2.20 -0.09 0.00 1.55 0.00 0.00 64.86 64.17 2k3k h ILE 94 Cb 0.54 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 2k3k h ILE 94 CO 0.02 0.66 -0.42 0.11 -1.05 0.00 0.00 178.15 177.47 2k3k h LYS 95 N 0.23 0.00 0.00 0.16 1.79 -1.08 -3.47 116.57 114.20 2k3k h LYS 95 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k3k h LYS 95 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2k3k h LYS 95 CO 0.12 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.33 2k3k n GLY 96 N -0.01 1.52 0.08 3.86 0.00 0.12 -4.93 105.19 105.83 2k3k n GLY 96 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k3k n THR 97 N -2.00 1.50 -0.32 2.61 -2.24 -0.69 -0.26 114.28 112.87 2k3k n THR 97 Ca 0.00 0.62 0.10 0.00 -2.27 0.00 0.00 64.05 62.49 2k3k n THR 97 Cb 0.00 -1.61 0.31 0.00 -2.10 0.00 0.00 70.33 66.92 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 1.00 0.00 4.78 3.57 -1.49 -3.43 116.94 121.37 2k3k h PHE 98 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k3k h PHE 98 Cb 0.01 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2k3k h PHE 98 CO 0.00 0.38 0.00 0.36 -2.23 0.00 0.00 178.31 176.82 2k3k n LYS 99 N -4.60 0.21 -0.04 1.11 2.85 -0.67 -4.99 118.16 112.03 2k3k n LYS 99 Ca 0.18 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.36 2k3k n LYS 99 Cb 0.42 -0.04 0.09 0.00 -0.65 0.00 0.00 35.03 34.85 2k3k n LYS 99 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k3k h GLU 100 N 0.00 0.67 -3.94 -1.58 4.57 -0.89 -3.43 114.58 109.97 2k3k h GLU 100 Ca 0.00 -0.32 -0.16 0.00 -1.18 0.00 0.00 59.36 57.70 2k3k h GLU 100 Cb 0.00 -0.01 -0.21 0.00 -0.16 0.00 0.00 28.75 28.38 2k3k h GLU 100 CO 0.00 0.92 -0.67 1.03 -1.18 0.00 0.00 179.01 179.10 2k3k s ARG 101 N -4.37 0.35 0.12 1.92 3.00 -1.24 -5.03 118.95 113.70 2k3k s ARG 101 Ca -0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 55.73 54.91 2k3k s ARG 101 Cb 0.12 0.13 -0.11 0.00 0.00 0.00 0.00 34.95 35.09 2k3k s ARG 101 CO 0.83 -0.06 1.37 -1.00 0.00 0.00 0.00 175.30 176.44 2k3k h PRO 102 N 4.53 0.84 -0.05 3.54 0.13 -1.84 -3.39 132.00 135.77 2k3k h PRO 102 Ca -0.32 -0.59 -0.22 0.00 -0.87 0.00 0.00 66.00 64.00 2k3k h PRO 102 Cb 1.20 0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.27 2k3k h PRO 102 CO 0.42 1.22 -0.38 1.17 -0.23 0.00 0.00 178.00 180.20 2k3k n LYS 103 N -3.98 1.23 0.00 0.86 4.81 -1.26 -4.96 118.16 114.87 2k3k n LYS 103 Ca -0.06 -1.80 0.00 0.00 -0.87 0.00 0.00 58.31 55.58 2k3k n LYS 103 Cb 0.68 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.70 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74