#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg5 s ASP 11 N 0.00 4.81 0.36 4.37 -4.77 -1.26 -5.01 116.67 115.17 1rg5 s ASP 11 Ca 0.00 -0.78 0.05 0.00 -3.30 0.00 0.00 52.55 48.52 1rg5 s ASP 11 Cb 0.00 -0.69 0.68 0.00 -1.09 0.00 0.00 42.92 41.82 1rg5 s ASP 11 CO 0.00 -0.42 1.94 0.25 0.70 0.00 0.00 175.17 177.64 1rg5 h LEU 12 N 1.37 0.51 -0.77 2.11 5.85 -2.06 -2.00 115.31 120.32 1rg5 h LEU 12 Ca -0.43 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 1rg5 h LEU 12 Cb 1.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1rg5 h LEU 12 CO 0.62 0.50 -0.18 0.00 -0.34 0.00 0.00 178.44 179.04 1rg5 h ALA 13 N 1.58 0.95 -0.13 1.25 0.00 -1.99 -1.91 119.26 119.00 1rg5 h ALA 13 Ca 0.13 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1rg5 h ALA 13 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rg5 h ALA 13 CO -0.01 0.61 -0.49 0.66 0.00 0.00 0.00 179.25 180.02 1rg5 h SER 14 N 0.66 0.38 -0.82 0.00 4.64 -1.81 -2.13 113.55 114.47 1rg5 h SER 14 Ca 0.10 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1rg5 h SER 14 Cb 0.67 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1rg5 h SER 14 CO 0.05 0.81 0.50 0.25 -0.87 0.00 0.00 176.83 177.57 1rg5 h LEU 15 N 0.28 0.98 -0.31 5.97 7.12 -1.25 -2.79 115.31 125.31 1rg5 h LEU 15 Ca 0.01 -0.06 -0.08 0.00 0.13 0.00 0.00 57.88 57.88 1rg5 h LEU 15 Cb 0.97 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1rg5 h LEU 15 CO 0.08 0.75 -0.11 0.00 -0.13 0.00 0.00 178.44 179.04 1rg5 h ALA 16 N 1.27 0.44 -0.10 1.25 0.00 -1.16 -2.42 119.26 118.54 1rg5 h ALA 16 Ca 0.29 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1rg5 h ALA 16 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rg5 h ALA 16 CO -0.06 0.30 -0.49 0.97 0.00 0.00 0.00 179.25 179.97 1rg5 h ILE 17 N 0.39 1.34 -0.06 0.00 6.09 -1.35 -1.80 117.51 122.13 1rg5 h ILE 17 Ca 0.08 -1.72 -0.15 0.00 -1.37 0.00 0.00 64.86 61.70 1rg5 h ILE 17 Cb 0.61 1.81 0.01 0.00 0.47 0.00 0.00 36.82 39.72 1rg5 h ILE 17 CO 0.04 0.51 -0.54 0.22 -3.07 0.00 0.00 178.15 175.31 1rg5 h TYR 18 N 0.21 0.67 -0.59 2.19 3.20 -1.52 -2.50 116.97 118.64 1rg5 h TYR 18 Ca 0.01 -0.32 0.07 0.00 3.14 0.00 0.00 58.73 61.63 1rg5 h TYR 18 Cb 0.95 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 1rg5 h TYR 18 CO 0.02 1.11 0.26 0.77 -1.64 0.00 0.00 178.16 178.68 1rg5 h SER 19 N 0.04 0.32 -0.57 -2.11 0.02 -1.44 -2.88 113.55 106.93 1rg5 h SER 19 Ca -0.05 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1rg5 h SER 19 Cb 1.21 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1rg5 h SER 19 CO 0.11 0.20 0.36 0.15 -1.14 0.00 0.00 176.83 176.51 1rg5 h PHE 20 N 0.48 0.67 -0.43 3.45 3.57 -1.24 -1.51 116.94 121.92 1rg5 h PHE 20 Ca 0.28 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1rg5 h PHE 20 Cb 0.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1rg5 h PHE 20 CO -0.13 0.39 0.29 -1.49 -2.23 0.00 0.00 178.31 175.14 1rg5 h TRP 21 N 0.71 0.51 -0.12 0.41 4.06 -1.27 -1.38 115.95 118.87 1rg5 h TRP 21 Ca 0.22 0.01 -0.09 0.00 2.06 0.00 0.00 58.89 61.10 1rg5 h TRP 21 Cb -0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 1rg5 h TRP 21 CO -0.05 0.31 -0.27 0.82 -3.56 0.00 0.00 178.44 175.69 1rg5 h ILE 22 N 0.54 1.38 -0.69 1.49 2.04 -1.27 -2.72 117.51 118.29 1rg5 h ILE 22 Ca 0.16 -1.56 0.13 0.00 1.00 0.00 0.00 64.86 64.59 1rg5 h ILE 22 Cb 0.00 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 1rg5 h ILE 22 CO -0.04 0.46 0.21 0.15 0.00 0.00 0.00 178.15 178.93 1rg5 h PHE 23 N -0.04 0.35 -0.21 1.37 3.57 -1.06 -2.58 116.94 118.35 1rg5 h PHE 23 Ca -0.00 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1rg5 h PHE 23 Cb 0.87 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1rg5 h PHE 23 CO 0.11 0.00 -0.31 1.25 -2.23 0.00 0.00 178.31 177.13 1rg5 h LEU 24 N 0.34 0.43 -0.32 0.59 5.85 -1.18 -1.38 115.31 119.64 1rg5 h LEU 24 Ca 0.37 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1rg5 h LEU 24 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1rg5 h LEU 24 CO -0.42 0.73 0.03 0.00 -0.34 0.00 0.00 178.44 178.44 1rg5 h ALA 25 N 1.30 0.43 -0.70 1.25 0.00 -1.26 -1.31 119.26 118.98 1rg5 h ALA 25 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1rg5 h ALA 25 Cb 0.73 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1rg5 h ALA 25 CO 0.06 0.16 0.38 0.78 0.00 0.00 0.00 179.25 180.62 1rg5 h GLY 26 N 0.37 1.03 0.94 0.00 0.00 -1.15 -2.38 103.07 101.87 1rg5 h GLY 26 Ca 0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1rg5 h GLY 26 CO 0.01 0.43 0.06 -2.00 0.00 0.00 0.00 176.54 175.04 1rg5 h LEU 27 N 0.97 0.65 -0.71 3.11 5.85 -1.11 -1.13 115.31 122.93 1rg5 h LEU 27 Ca 0.25 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rg5 h LEU 27 Cb 0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1rg5 h LEU 27 CO -0.04 0.75 0.26 0.40 -0.34 0.00 0.00 178.44 179.46 1rg5 h ILE 28 N 0.52 1.25 -0.04 4.05 2.04 -1.13 -0.54 117.51 123.66 1rg5 h ILE 28 Ca 0.12 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1rg5 h ILE 28 Cb 0.38 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1rg5 h ILE 28 CO 0.01 0.33 -0.09 0.22 0.00 0.00 0.00 178.15 178.62 1rg5 h TYR 29 N 1.03 -0.22 -0.29 1.37 3.20 -1.33 0.23 116.97 120.97 1rg5 h TYR 29 Ca 0.23 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1rg5 h TYR 29 Cb 0.25 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1rg5 h TYR 29 CO 0.02 -0.13 0.09 -0.92 -1.64 0.00 0.00 178.16 175.57 1rg5 h TYR 30 N -0.13 0.16 -0.74 -3.82 3.20 -0.95 -2.44 116.97 112.24 1rg5 h TYR 30 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1rg5 h TYR 30 Cb 0.20 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1rg5 h TYR 30 CO -0.17 0.06 0.34 -0.07 -1.64 0.00 0.00 178.16 176.68 1rg5 h LEU 31 N 0.21 0.99 -0.41 2.82 3.38 -0.91 -2.09 115.31 119.30 1rg5 h LEU 31 Ca 0.13 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1rg5 h LEU 31 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1rg5 h LEU 31 CO -0.15 0.86 -0.12 -0.61 0.09 0.00 0.00 178.44 178.51 1rg5 h GLN 32 N 1.05 0.80 -0.56 1.13 5.75 -0.83 -2.78 115.11 119.67 1rg5 h GLN 32 Ca 0.25 -0.32 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1rg5 h GLN 32 Cb 0.15 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1rg5 h GLN 32 CO -0.03 0.94 0.09 1.79 -2.65 0.00 0.00 178.83 178.97 1rg5 h THR 33 N 0.62 1.24 -0.15 2.39 1.35 -1.36 -2.22 112.91 114.79 1rg5 h THR 33 Ca 0.10 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1rg5 h THR 33 Cb 0.66 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1rg5 h THR 33 CO 0.05 0.35 0.05 -0.33 -0.25 0.00 0.00 175.52 175.39 1rg5 h GLU 34 N 0.86 0.20 -0.09 4.72 4.39 -1.33 -2.09 114.58 121.24 1rg5 h GLU 34 Ca 0.18 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1rg5 h GLU 34 Cb 0.39 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1rg5 h GLU 34 CO 0.01 0.17 0.00 0.09 -1.16 0.00 0.00 179.01 178.12 1rg5 n ASN 35 N -4.47 0.51 -1.13 1.42 3.02 -0.84 -3.55 115.26 110.21 1rg5 n ASN 35 Ca -0.01 -1.88 0.08 0.00 -0.03 0.00 0.00 54.58 52.74 1rg5 n ASN 35 Cb 0.12 -0.06 0.29 0.00 -0.61 0.00 0.00 39.78 39.52 1rg5 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rg5 n MET 36 N -0.28 3.40 0.13 3.52 2.81 -0.79 -4.64 117.12 121.27 1rg5 n MET 36 Ca 0.06 -2.88 0.13 0.00 -1.81 0.00 0.00 57.70 53.20 1rg5 n MET 36 Cb 0.10 -1.91 0.36 0.00 -0.71 0.00 0.00 33.22 31.06 1rg5 n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rg5 h ARG 37 N 2.40 0.00 -5.93 0.03 3.08 -1.73 -3.41 114.38 108.81 1rg5 h ARG 37 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1rg5 h ARG 37 Cb 1.53 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.31 1rg5 h ARG 37 CO 0.27 0.00 -0.84 -1.21 -1.07 0.00 0.00 179.97 177.12 1rg5 s GLU 38 N -3.13 1.41 0.00 0.04 0.41 -1.26 -3.92 118.70 112.25 1rg5 s GLU 38 Ca 0.10 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1rg5 s GLU 38 Cb 0.11 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 31.00 1rg5 s GLU 38 CO 0.61 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 176.17 1rg5 n GLY 39 N 2.13 0.84 3.57 -1.39 0.00 -1.26 -5.05 105.19 104.03 1rg5 n GLY 39 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1rg5 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rg5 s TYR 40 N -2.34 2.55 0.62 1.61 1.51 -1.26 -4.41 117.35 115.64 1rg5 s TYR 40 Ca 0.00 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.62 1rg5 s TYR 40 Cb 0.00 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1rg5 s TYR 40 CO 0.00 0.62 1.21 -2.14 -1.11 0.00 0.00 175.55 174.13 1rg5 s PRO 41 N -3.40 2.79 0.59 -1.71 0.02 -1.26 -4.90 135.00 127.12 1rg5 s PRO 41 Ca 0.29 1.82 -0.19 0.00 0.02 0.00 0.00 61.00 62.94 1rg5 s PRO 41 Cb -0.07 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1rg5 s PRO 41 CO 0.17 -1.35 1.10 1.28 -0.33 0.00 0.00 177.00 177.88 1rg5 n LEU 42 N -1.84 4.37 -4.37 -5.54 4.77 -1.26 -4.95 117.00 108.18 1rg5 n LEU 42 Ca 0.14 0.86 -0.23 0.00 -0.03 0.00 0.00 56.01 56.74 1rg5 n LEU 42 Cb 0.50 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 1rg5 n LEU 42 CO 0.45 -1.44 -0.49 -1.61 -1.33 0.00 0.00 177.39 172.97 1rg5 s GLU 43 N -2.83 1.37 0.82 3.23 2.02 -1.26 -1.89 118.70 120.17 1rg5 s GLU 43 Ca 0.75 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.15 1rg5 s GLU 43 Cb -0.42 -1.50 0.08 0.00 0.10 0.00 0.00 34.13 32.39 1rg5 s GLU 43 CO 0.47 0.31 1.10 -0.80 0.02 0.00 0.00 175.26 176.36 1rg5 s ASN 44 N -2.75 4.25 0.55 -0.19 0.01 0.54 -4.64 114.94 112.71 1rg5 s ASN 44 Ca 0.18 1.28 0.26 0.00 -0.71 0.00 0.00 52.86 53.86 1rg5 s ASN 44 Cb -0.06 -1.98 1.44 0.00 0.41 0.00 0.00 41.25 41.06 1rg5 s ASN 44 CO 0.08 -2.12 2.02 -0.33 -1.51 0.00 0.00 177.10 175.24 1rg5 h GLU 45 N -1.19 0.00 -0.26 -0.60 5.08 -2.02 -0.20 114.58 115.40 1rg5 h GLU 45 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1rg5 h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1rg5 h GLU 45 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 1rg5 n ASP 46 N -4.22 1.48 0.00 1.42 5.75 -1.26 -4.94 116.55 114.78 1rg5 n ASP 46 Ca 0.07 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1rg5 n ASP 46 Cb 0.53 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1rg5 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rg5 n GLY 47 N 0.97 0.83 3.91 6.12 0.00 -0.08 -5.06 105.19 111.88 1rg5 n GLY 47 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1rg5 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rg5 s THR 48 N -3.14 4.75 0.15 2.61 -4.23 -1.26 -4.83 115.64 109.69 1rg5 s THR 48 Ca 0.00 0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 60.35 1rg5 s THR 48 Cb 0.00 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 1rg5 s THR 48 CO 0.00 -0.79 1.62 -2.84 -0.54 0.00 0.00 174.62 172.07 1rg5 s PRO 49 N -4.76 4.19 0.70 3.99 0.02 -1.26 -0.34 135.00 137.54 1rg5 s PRO 49 Ca 0.48 2.41 -0.13 0.00 0.02 0.00 0.00 61.00 63.78 1rg5 s PRO 49 Cb -0.10 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1rg5 s PRO 49 CO 0.45 -0.67 1.09 0.00 -0.33 0.00 0.00 177.00 177.54 1rg5 s ALA 50 N 1.51 2.43 0.03 -1.55 0.00 -0.79 -4.65 121.76 118.74 1rg5 s ALA 50 Ca 0.72 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1rg5 s ALA 50 Cb -0.44 -3.28 -0.35 0.00 0.00 0.00 0.00 23.12 19.05 1rg5 s ALA 50 CO 0.32 -1.41 0.99 0.00 0.00 0.00 0.00 175.76 175.66 1rg5 h ALA 51 N -0.42 -0.11 -2.75 0.00 0.00 -1.94 -3.42 119.26 110.63 1rg5 h ALA 51 Ca -0.45 -0.89 -0.72 0.00 0.00 0.00 0.00 54.91 52.85 1rg5 h ALA 51 Cb 1.24 0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.93 1rg5 h ALA 51 CO 0.54 0.75 -0.45 1.21 0.00 0.00 0.00 179.25 181.30 1rg5 s ASN 52 N -7.52 5.66 0.00 0.00 2.47 -1.26 -4.92 114.94 109.37 1rg5 s ASN 52 Ca -0.09 -1.56 0.27 0.00 0.42 0.00 0.00 52.86 51.90 1rg5 s ASN 52 Cb 0.04 -2.00 0.79 0.00 -1.45 0.00 0.00 41.25 38.63 1rg5 s ASN 52 CO 0.93 -0.56 1.59 0.00 -3.72 0.00 0.00 177.10 175.34 1rg5 n GLN 53 N 4.93 0.35 0.00 0.43 1.13 -1.26 -5.01 117.38 117.94 1rg5 n GLN 53 Ca -0.10 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.79 1rg5 n GLN 53 Cb 0.43 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1rg5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rg5 n GLY 54 N 1.42 0.28 0.12 1.08 0.00 -1.26 -4.75 105.19 102.08 1rg5 n GLY 54 Ca 0.09 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1rg5 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rg5 h PRO 55 N 0.00 0.00 -6.00 1.61 0.13 -2.04 -3.45 132.00 122.24 1rg5 h PRO 55 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1rg5 h PRO 55 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1rg5 h PRO 55 CO 0.00 0.00 0.01 -0.06 -0.23 0.00 0.00 178.00 177.72 1rg5 s PHE 56 N -3.22 3.60 0.61 1.56 0.08 -1.26 -5.08 117.98 114.27 1rg5 s PHE 56 Ca 0.05 1.17 -0.08 0.00 0.12 0.00 0.00 56.93 58.19 1rg5 s PHE 56 Cb 0.10 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1rg5 s PHE 56 CO 0.71 0.19 0.96 -1.25 -0.10 0.00 0.00 175.22 175.73 1rg5 s PRO 57 N 0.43 3.03 0.36 0.24 0.04 -1.26 -5.04 135.00 132.80 1rg5 s PRO 57 Ca 0.33 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 1rg5 s PRO 57 Cb -0.17 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1rg5 s PRO 57 CO 0.16 -0.73 1.27 -0.51 0.04 0.00 0.00 177.00 177.23 1rg5 s LEU 58 N -5.09 4.34 0.70 -3.56 1.43 -1.26 -4.86 118.68 110.38 1rg5 s LEU 58 Ca 0.54 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 56.13 1rg5 s LEU 58 Cb -0.11 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1rg5 s LEU 58 CO 0.48 -0.62 1.07 -2.16 0.23 0.00 0.00 176.35 175.35 1rg5 s PRO 59 N -1.97 2.77 0.41 1.29 0.04 -1.26 -5.01 135.00 131.27 1rg5 s PRO 59 Ca 0.52 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1rg5 s PRO 59 Cb -0.37 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1rg5 s PRO 59 CO 0.49 -1.24 1.20 -1.59 0.04 0.00 0.00 177.00 175.90 1rg5 s LYS 60 N -4.80 3.96 0.45 4.56 -2.85 -1.26 -4.71 119.74 115.09 1rg5 s LYS 60 Ca 0.60 1.91 -0.25 0.00 -1.00 0.00 0.00 55.97 57.24 1rg5 s LYS 60 Cb -0.16 -2.64 -0.08 0.00 -2.06 0.00 0.00 37.83 32.90 1rg5 s LYS 60 CO 0.52 -0.42 1.33 -2.14 0.10 0.00 0.00 175.35 174.74 1rg5 s PRO 61 N -2.36 3.70 0.24 1.78 0.02 -1.26 -4.79 135.00 132.34 1rg5 s PRO 61 Ca 0.58 2.21 0.10 0.00 0.02 0.00 0.00 61.00 63.91 1rg5 s PRO 61 Cb -0.32 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 1rg5 s PRO 61 CO 0.41 -0.73 -0.10 -1.59 -0.33 0.00 0.00 177.00 174.65 1rg5 s LYS 62 N -2.48 2.00 -0.17 5.54 -2.85 -0.73 -4.95 119.74 116.11 1rg5 s LYS 62 Ca 0.62 -1.49 0.01 0.00 -1.00 0.00 0.00 55.97 54.11 1rg5 s LYS 62 Cb -0.39 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.37 1rg5 s LYS 62 CO 0.49 0.37 -0.18 0.99 0.10 0.00 0.00 175.35 177.13 1rg5 s THR 63 N -2.18 1.88 0.08 3.79 2.01 -1.26 -1.85 115.64 118.11 1rg5 s THR 63 Ca 0.29 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 1rg5 s THR 63 Cb -0.07 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 1rg5 s THR 63 CO 0.17 0.51 0.64 -0.36 -0.69 0.00 0.00 174.62 174.89 1rg5 s PHE 64 N 1.33 3.80 -0.33 4.92 0.08 0.82 -4.92 117.98 123.68 1rg5 s PHE 64 Ca 0.04 1.36 -0.15 0.00 0.12 0.00 0.00 56.93 58.30 1rg5 s PHE 64 Cb -0.13 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1rg5 s PHE 64 CO -0.11 0.49 0.35 0.42 -0.10 0.00 0.00 175.22 176.27 1rg5 s ILE 65 N -0.83 5.18 0.24 0.64 1.01 -1.26 -1.23 121.20 124.94 1rg5 s ILE 65 Ca 0.32 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.92 1rg5 s ILE 65 Cb -0.20 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 1rg5 s ILE 65 CO 0.21 -0.03 0.70 -0.76 0.00 0.00 0.00 174.94 175.06 1rg5 s LEU 66 N 2.00 4.27 0.87 2.97 1.43 -0.25 -5.01 118.68 124.96 1rg5 s LEU 66 Ca 0.12 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1rg5 s LEU 66 Cb -0.16 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.51 1rg5 s LEU 66 CO 0.11 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 1rg5 s PRO 67 N -2.23 1.47 -1.09 1.29 0.04 -1.26 -4.20 135.00 129.02 1rg5 s PRO 67 Ca 0.45 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1rg5 s PRO 67 Cb -0.15 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1rg5 s PRO 67 CO 0.20 -2.13 0.00 0.72 0.04 0.00 0.00 177.00 175.83 1rg5 n HIS 68 N -3.82 -0.45 -1.09 0.56 8.25 -1.26 -2.76 115.22 114.66 1rg5 n HIS 68 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1rg5 n HIS 68 Cb 0.55 -2.62 -0.01 0.00 1.12 0.00 0.00 29.99 29.02 1rg5 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rg5 n GLY 69 N -1.11 0.61 0.23 -1.41 0.00 -1.26 -4.91 105.19 97.33 1rg5 n GLY 69 Ca -0.14 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1rg5 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rg5 n ARG 70 N -2.50 1.31 0.00 1.61 3.00 -1.11 -5.02 116.66 113.96 1rg5 n ARG 70 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 57.85 57.35 1rg5 n ARG 70 Cb 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1rg5 n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rg5 n GLY 71 N 0.97 0.17 3.31 -0.13 0.00 -1.26 -4.90 105.19 103.35 1rg5 n GLY 71 Ca 0.16 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 1rg5 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rg5 s THR 72 N 0.00 1.05 -0.05 2.61 -4.23 -1.26 -1.08 115.64 112.68 1rg5 s THR 72 Ca 0.00 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1rg5 s THR 72 Cb 0.00 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1rg5 s THR 72 CO 0.00 -0.41 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.39 1rg5 s LEU 73 N -3.28 1.43 -0.17 4.79 2.96 -0.36 -4.94 118.68 119.11 1rg5 s LEU 73 Ca 0.26 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1rg5 s LEU 73 Cb 0.05 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.22 1rg5 s LEU 73 CO 0.07 -0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 1rg5 s THR 74 N 0.81 2.40 0.01 3.68 2.01 -1.26 -0.13 115.64 123.16 1rg5 s THR 74 Ca -0.12 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1rg5 s THR 74 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1rg5 s THR 74 CO 0.01 0.52 -0.03 0.68 -0.69 0.00 0.00 174.62 175.11 1rg5 s VAL 75 N 1.07 0.19 0.73 3.82 -7.23 -0.77 -3.86 120.40 114.35 1rg5 s VAL 75 Ca -0.00 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 1rg5 s VAL 75 Cb -0.14 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.61 1rg5 s VAL 75 CO -0.06 -0.15 1.21 -2.16 -0.31 0.00 0.00 175.10 173.63 1rg5 s PRO 76 N -0.60 2.14 0.27 4.82 0.04 -1.25 -1.77 135.00 138.66 1rg5 s PRO 76 Ca -0.05 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 1rg5 s PRO 76 Cb -0.04 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1rg5 s PRO 76 CO -0.00 -1.83 0.47 0.41 0.04 0.00 0.00 177.00 176.09 1rg5 n GLY 77 N 0.38 1.78 3.67 0.56 0.00 -1.25 -4.83 105.19 105.50 1rg5 n GLY 77 Ca 0.13 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1rg5 n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rg5 s PRO 78 N -2.31 4.14 -0.14 1.61 0.02 -1.26 -4.97 135.00 132.08 1rg5 s PRO 78 Ca 0.16 2.61 -0.16 0.00 0.02 0.00 0.00 61.00 63.64 1rg5 s PRO 78 Cb -0.02 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 1rg5 s PRO 78 CO 0.12 -0.92 0.39 -1.21 -0.33 0.00 0.00 177.00 175.05 1rg5 s GLU 79 N 3.83 4.30 -0.03 5.54 0.41 -1.26 -5.10 118.70 126.39 1rg5 s GLU 79 Ca 0.86 0.27 -0.19 0.00 -0.41 0.00 0.00 54.97 55.50 1rg5 s GLU 79 Cb -0.44 -3.43 0.04 0.00 -1.78 0.00 0.00 34.13 28.51 1rg5 s GLU 79 CO 0.40 0.19 0.41 -1.54 -0.49 0.00 0.00 175.26 174.23 1rg5 s SER 80 N 0.57 -0.32 0.40 -0.19 1.04 -1.26 -5.05 113.70 108.88 1rg5 s SER 80 Ca 0.21 0.28 0.11 0.00 0.48 0.00 0.00 55.95 57.04 1rg5 s SER 80 Cb -0.14 0.40 0.84 0.00 0.10 0.00 0.00 66.02 67.21 1rg5 s SER 80 CO 0.07 -0.48 1.93 -0.33 0.98 0.00 0.00 173.24 175.41 1rg5 h GLU 81 N 3.71 0.15 -5.39 4.02 4.39 -2.02 -3.47 114.58 115.97 1rg5 h GLU 81 Ca -0.29 -0.04 -0.41 0.00 0.34 0.00 0.00 59.36 58.97 1rg5 h GLU 81 Cb 1.17 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1rg5 h GLU 81 CO 0.39 0.32 -0.62 -0.25 -1.16 0.00 0.00 179.01 177.69 1rg5 n ASP 82 N -4.27 -4.73 -3.53 1.42 8.00 -1.26 -4.59 116.55 107.59 1rg5 n ASP 82 Ca -0.01 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 54.93 1rg5 n ASP 82 Cb 0.27 -3.84 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 1rg5 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rg5 s ARG 83 N -6.08 0.77 0.42 -1.24 1.70 -1.26 -4.96 118.95 108.30 1rg5 s ARG 83 Ca 0.44 -0.13 -0.24 0.00 -0.47 0.00 0.00 55.73 55.33 1rg5 s ARG 83 Cb -0.22 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.43 1rg5 s ARG 83 CO 0.55 -0.31 1.15 -2.14 -1.08 0.00 0.00 175.30 173.48 1rg5 s PRO 84 N -2.40 3.95 -0.30 3.89 0.02 -1.26 -5.03 135.00 133.87 1rg5 s PRO 84 Ca 0.02 1.78 0.03 0.00 0.02 0.00 0.00 61.00 62.85 1rg5 s PRO 84 Cb -0.01 -2.56 0.08 0.00 0.02 0.00 0.00 34.50 32.04 1rg5 s PRO 84 CO -0.05 -0.39 -0.01 0.42 -0.33 0.00 0.00 177.00 176.65 1rg5 s ILE 85 N -1.49 2.00 -1.33 2.83 1.09 -1.26 -5.06 121.20 117.97 1rg5 s ILE 85 Ca 0.60 -1.88 -0.15 0.00 -1.10 0.00 0.00 60.65 58.11 1rg5 s ILE 85 Cb -0.29 -2.34 0.09 0.00 -1.06 0.00 0.00 42.46 38.86 1rg5 s ILE 85 CO 0.36 -0.37 1.86 0.00 -0.10 0.00 0.00 174.94 176.69 1rg5 n ALA 86 N 4.42 4.40 -2.74 9.38 0.00 -1.26 -4.91 120.51 129.80 1rg5 n ALA 86 Ca -0.04 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.34 1rg5 n ALA 86 Cb 0.42 -3.44 -0.11 0.00 0.00 0.00 0.00 19.45 16.32 1rg5 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rg5 s LEU 87 N 2.76 2.31 0.02 0.00 1.43 -1.26 -2.48 118.68 121.45 1rg5 s LEU 87 Ca 0.49 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1rg5 s LEU 87 Cb 0.07 0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1rg5 s LEU 87 CO 0.01 -0.36 -0.04 0.00 0.23 0.00 0.00 176.35 176.19 1rg5 s ALA 88 N -2.07 0.20 0.52 4.21 0.00 -0.37 -4.89 121.76 119.36 1rg5 s ALA 88 Ca -0.09 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 1rg5 s ALA 88 Cb -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 1rg5 s ALA 88 CO -0.03 -0.13 1.34 1.03 0.00 0.00 0.00 175.76 177.98 1rg5 s ARG 89 N -1.42 3.29 0.00 0.00 0.52 -1.26 -0.66 118.95 119.41 1rg5 s ARG 89 Ca -0.14 2.20 0.12 0.00 -0.52 0.00 0.00 55.73 57.38 1rg5 s ARG 89 Cb -0.10 -2.33 0.10 0.00 0.52 0.00 0.00 34.95 33.15 1rg5 s ARG 89 CO -0.01 -1.06 0.88 0.25 0.02 0.00 0.00 175.30 175.38 1rg5 n THR 90 N -0.85 0.04 -3.97 0.02 -2.24 -1.21 -4.83 114.28 101.24 1rg5 n THR 90 Ca 0.09 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 1rg5 n THR 90 Cb 0.45 1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 69.81 1rg5 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rg5 s ALA 91 N -0.96 0.09 -2.08 6.98 0.00 -1.26 -5.04 121.76 119.49 1rg5 s ALA 91 Ca 0.14 -0.93 0.13 0.00 0.00 0.00 0.00 51.96 51.31 1rg5 s ALA 91 Cb 0.10 0.78 0.46 0.00 0.00 0.00 0.00 23.12 24.46 1rg5 s ALA 91 CO 0.15 -0.59 1.35 1.33 0.00 0.00 0.00 175.76 177.99 1rg5 n VAL 92 N -0.16 0.32 -4.17 0.00 0.24 -1.26 -4.92 118.33 108.38 1rg5 n VAL 92 Ca -0.09 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 1rg5 n VAL 92 Cb 0.63 0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 1rg5 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rg5 s SER 93 N -1.21 0.17 0.40 -1.34 1.04 -1.26 -5.14 113.70 106.36 1rg5 s SER 93 Ca 0.24 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.11 1rg5 s SER 93 Cb 0.13 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1rg5 s SER 93 CO 0.18 -0.84 1.25 -1.61 0.98 0.00 0.00 173.24 173.20 1rg5 s GLU 94 N -4.12 3.99 0.00 4.02 0.41 -1.26 -4.31 118.70 117.43 1rg5 s GLU 94 Ca 0.34 2.03 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1rg5 s GLU 94 Cb 0.07 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 1rg5 s GLU 94 CO 0.09 -0.43 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 1rg5 n GLY 95 N 0.67 0.91 3.86 -1.39 0.00 -1.26 -5.10 105.19 102.88 1rg5 n GLY 95 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1rg5 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rg5 s PHE 96 N -2.00 2.97 0.85 1.61 0.40 -1.26 -5.11 117.98 115.44 1rg5 s PHE 96 Ca 0.00 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1rg5 s PHE 96 Cb 0.00 -1.72 0.11 0.00 0.51 0.00 0.00 43.02 41.91 1rg5 s PHE 96 CO 0.00 0.25 1.12 -2.14 0.70 0.00 0.00 175.22 175.14 1rg5 s PRO 97 N -3.97 1.56 -0.13 0.24 0.02 -1.26 -4.90 135.00 126.56 1rg5 s PRO 97 Ca 0.39 1.32 0.03 0.00 0.02 0.00 0.00 61.00 62.76 1rg5 s PRO 97 Cb -0.07 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.66 1rg5 s PRO 97 CO 0.27 -2.18 -0.22 -1.01 -0.33 0.00 0.00 177.00 173.53 1rg5 s HIS 98 N -2.78 2.66 0.02 6.54 3.76 -1.26 -3.32 115.29 120.91 1rg5 s HIS 98 Ca 0.64 -1.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.16 1rg5 s HIS 98 Cb -0.20 -1.80 -0.06 0.00 1.11 0.00 0.00 32.58 31.64 1rg5 s HIS 98 CO 0.57 -0.56 0.42 0.00 -0.85 0.00 0.00 174.74 174.33 1rg5 s ALA 99 N 0.70 3.69 0.35 -1.40 0.00 0.16 -4.74 121.76 120.52 1rg5 s ALA 99 Ca -0.10 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1rg5 s ALA 99 Cb -0.16 -2.39 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 1rg5 s ALA 99 CO 0.01 0.49 1.50 -2.30 0.00 0.00 0.00 175.76 175.46 1rg5 n PRO 100 N 1.63 2.64 0.05 0.00 -0.02 -1.26 -1.23 135.00 136.81 1rg5 n PRO 100 Ca -0.12 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.36 1rg5 n PRO 100 Cb 0.52 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 1rg5 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rg5 n THR 101 N 0.85 0.65 0.00 3.45 -2.24 -1.04 -4.88 114.28 111.07 1rg5 n THR 101 Ca 0.03 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1rg5 n THR 101 Cb 0.38 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1rg5 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rg5 n GLY 102 N 1.28 3.49 3.56 3.38 0.00 -1.26 -5.09 105.19 110.55 1rg5 n GLY 102 Ca -0.05 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1rg5 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rg5 s ASP 103 N 1.00 6.35 0.48 1.61 -1.08 -1.26 -4.98 116.67 118.79 1rg5 s ASP 103 Ca 0.00 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.30 1rg5 s ASP 103 Cb 0.00 -2.29 1.22 0.00 -1.46 0.00 0.00 42.92 40.39 1rg5 s ASP 103 CO 0.00 -0.50 2.00 1.55 0.52 0.00 0.00 175.17 178.73 1rg5 h PRO 104 N 8.44 0.00 -0.07 4.34 0.13 -1.95 0.92 132.00 143.82 1rg5 h PRO 104 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1rg5 h PRO 104 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1rg5 h PRO 104 CO 0.79 0.18 -0.00 0.52 -0.23 0.00 0.00 178.00 179.26 1rg5 h MET 105 N 0.00 0.12 -0.32 0.86 2.86 -1.94 -1.48 114.93 115.03 1rg5 h MET 105 Ca -0.00 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 1rg5 h MET 105 Cb 0.42 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1rg5 h MET 105 CO 0.02 0.40 -0.41 0.87 1.06 0.00 0.00 176.91 178.85 1rg5 h LYS 106 N -0.18 0.80 0.00 1.72 1.57 -1.89 -3.24 116.57 115.35 1rg5 h LYS 106 Ca 0.02 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1rg5 h LYS 106 Cb 0.35 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1rg5 h LYS 106 CO 0.00 1.06 0.00 -0.44 -0.57 0.00 0.00 179.45 179.50 1rg5 h ASP 107 N 0.65 0.00 -2.73 0.86 3.32 -0.88 -3.48 116.42 114.16 1rg5 h ASP 107 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1rg5 h ASP 107 Cb 0.97 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.54 1rg5 h ASP 107 CO 0.09 0.00 -0.10 0.61 -1.72 0.00 0.00 179.24 178.12 1rg5 n GLY 108 N 0.81 0.45 3.34 2.75 0.00 -0.57 -4.82 105.19 107.14 1rg5 n GLY 108 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1rg5 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rg5 s VAL 109 N -3.05 0.87 0.00 1.61 -7.23 -1.11 -4.02 120.40 107.47 1rg5 s VAL 109 Ca 0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1rg5 s VAL 109 Cb -0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1rg5 s VAL 109 CO 0.09 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1rg5 n GLY 110 N -0.46 1.99 0.00 2.32 0.00 -1.26 -2.02 105.19 105.77 1rg5 n GLY 110 Ca -0.03 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.47 1rg5 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rg5 n PRO 111 N 11.10 0.02 -0.12 1.61 -0.04 -1.26 -2.26 135.00 144.05 1rg5 n PRO 111 Ca 0.00 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 1rg5 n PRO 111 Cb 0.00 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 1rg5 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rg5 n ALA 112 N -1.47 2.49 -1.76 0.55 0.00 -0.86 -3.15 120.51 116.33 1rg5 n ALA 112 Ca 0.02 -0.57 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 1rg5 n ALA 112 Cb 0.09 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.51 1rg5 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rg5 s SER 113 N -1.38 5.66 0.22 0.00 0.01 -0.96 -4.09 113.70 113.17 1rg5 s SER 113 Ca 0.30 2.66 0.06 0.00 1.31 0.00 0.00 55.95 60.28 1rg5 s SER 113 Cb 0.16 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1rg5 s SER 113 CO 0.23 -1.30 -0.09 -1.66 0.41 0.00 0.00 173.24 170.84 1rg5 s TRP 114 N -1.34 1.69 0.13 2.43 1.48 -1.26 -4.47 118.94 117.60 1rg5 s TRP 114 Ca 0.67 -0.69 0.07 0.00 -1.06 0.00 0.00 56.10 55.08 1rg5 s TRP 114 Cb -0.38 -0.88 -0.04 0.00 -1.16 0.00 0.00 33.47 31.01 1rg5 s TRP 114 CO 0.46 0.23 -0.05 0.14 -4.06 0.00 0.00 176.95 173.67 1rg5 s VAL 115 N -3.11 3.55 -1.42 -0.66 -7.23 -1.26 -5.04 120.40 105.23 1rg5 s VAL 115 Ca 0.25 -1.33 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 1rg5 s VAL 115 Cb 0.02 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.30 1rg5 s VAL 115 CO 0.08 0.01 2.16 0.00 -0.31 0.00 0.00 175.10 177.03 1rg5 n ALA 116 N 0.33 5.49 -1.20 1.32 0.00 -1.26 -4.83 120.51 120.36 1rg5 n ALA 116 Ca -0.11 -3.97 -0.29 0.00 0.00 0.00 0.00 53.44 49.07 1rg5 n ALA 116 Cb 0.54 -3.43 0.16 0.00 0.00 0.00 0.00 19.45 16.71 1rg5 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rg5 s ARG 117 N 2.66 0.84 0.55 0.00 0.52 -1.26 -5.00 118.95 117.26 1rg5 s ARG 117 Ca 0.46 0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 56.10 1rg5 s ARG 117 Cb 0.13 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.78 1rg5 s ARG 117 CO -0.07 -2.49 1.36 0.54 0.02 0.00 0.00 175.30 174.67 1rg5 n ARG 118 N -4.03 1.67 -1.93 3.54 1.74 -1.26 -4.26 116.66 112.13 1rg5 n ARG 118 Ca 0.06 0.61 -0.36 0.00 -0.77 0.00 0.00 57.85 57.40 1rg5 n ARG 118 Cb 0.56 -2.58 -0.01 0.00 -1.02 0.00 0.00 32.46 29.41 1rg5 n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rg5 n ASP 119 N -1.08 7.28 -4.07 0.55 2.03 -1.26 -1.82 116.55 118.18 1rg5 n ASP 119 Ca 0.11 -3.43 -0.10 0.00 0.52 0.00 0.00 54.79 51.89 1rg5 n ASP 119 Cb 0.45 -1.22 -0.11 0.00 -0.72 0.00 0.00 41.12 39.53 1rg5 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rg5 s LEU 120 N -3.01 2.35 0.47 -2.67 1.43 -1.26 -4.93 118.68 111.06 1rg5 s LEU 120 Ca 0.52 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 1rg5 s LEU 120 Cb 0.31 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.42 1rg5 s LEU 120 CO -0.22 -0.36 0.98 -2.16 0.23 0.00 0.00 176.35 174.82 1rg5 s PRO 121 N -2.51 4.06 0.27 1.29 0.04 -1.26 -1.47 135.00 135.42 1rg5 s PRO 121 Ca -0.03 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1rg5 s PRO 121 Cb -0.03 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1rg5 s PRO 121 CO -0.03 -0.18 1.50 -2.00 0.04 0.00 0.00 177.00 176.33 1rg5 s GLU 122 N -3.43 4.20 0.25 4.56 2.12 -1.26 -4.90 118.70 120.24 1rg5 s GLU 122 Ca 0.62 2.42 0.07 0.00 0.36 0.00 0.00 54.97 58.44 1rg5 s GLU 122 Cb -0.11 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1rg5 s GLU 122 CO 0.19 -0.50 0.22 -0.51 -0.54 0.00 0.00 175.26 174.12 1rg5 s LEU 123 N -0.54 3.90 0.00 2.70 1.43 -1.26 -1.39 118.68 123.52 1rg5 s LEU 123 Ca 0.60 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1rg5 s LEU 123 Cb -0.44 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.40 1rg5 s LEU 123 CO 0.46 -0.04 0.48 -0.90 0.23 0.00 0.00 176.35 176.58 1rg5 n ASP 124 N -1.18 0.98 -0.01 2.29 5.75 -0.31 -4.73 116.55 119.33 1rg5 n ASP 124 Ca -0.08 -1.75 0.16 0.00 -0.01 0.00 0.00 54.79 53.11 1rg5 n ASP 124 Cb 0.58 -0.28 0.62 0.00 -1.03 0.00 0.00 41.12 41.00 1rg5 n ASP 124 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1rg5 h GLY 125 N -0.10 0.23 -2.08 6.12 0.00 -2.01 -1.47 103.07 103.76 1rg5 h GLY 125 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1rg5 h GLY 125 CO 0.20 0.03 0.00 1.42 0.00 0.00 0.00 176.54 178.20 1rg5 n HIS 126 N -4.43 0.43 -0.84 5.60 8.25 -1.26 -4.96 115.22 118.01 1rg5 n HIS 126 Ca 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1rg5 n HIS 126 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1rg5 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rg5 n GLY 127 N 1.45 0.52 3.95 -1.41 0.00 -0.55 -5.07 105.19 104.07 1rg5 n GLY 127 Ca 0.19 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1rg5 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rg5 s HIS 128 N -2.00 3.45 0.16 1.61 3.76 -1.26 -4.78 115.29 116.23 1rg5 s HIS 128 Ca 0.00 0.04 -0.34 0.00 -0.15 0.00 0.00 55.06 54.61 1rg5 s HIS 128 Cb 0.00 -1.61 -0.14 0.00 1.11 0.00 0.00 32.58 31.94 1rg5 s HIS 128 CO 0.00 0.48 1.51 0.09 -0.85 0.00 0.00 174.74 175.97 1rg5 n ASN 129 N -0.97 2.76 -0.13 1.40 3.02 -1.26 -1.16 115.26 118.92 1rg5 n ASN 129 Ca -0.08 1.10 -0.13 0.00 -0.03 0.00 0.00 54.58 55.44 1rg5 n ASN 129 Cb 0.56 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.33 1rg5 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1rg5 h LYS 130 N 5.44 0.96 -5.29 3.52 3.64 -1.52 -3.44 116.57 119.89 1rg5 h LYS 130 Ca -0.45 -0.48 -0.65 0.00 -1.27 0.00 0.00 60.65 57.79 1rg5 h LYS 130 Cb 1.27 0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.85 1rg5 h LYS 130 CO 0.85 1.15 -0.73 0.42 -2.27 0.00 0.00 179.45 178.86 1rg5 s ILE 131 N -4.45 3.32 0.04 2.00 1.01 -1.26 -1.83 121.20 120.04 1rg5 s ILE 131 Ca -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1rg5 s ILE 131 Cb 0.11 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1rg5 s ILE 131 CO 0.88 0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 175.74 1rg5 s LYS 132 N 0.44 0.51 0.40 2.79 1.02 -0.76 -4.68 119.74 119.46 1rg5 s LYS 132 Ca -0.08 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 54.78 1rg5 s LYS 132 Cb -0.15 -0.06 -0.09 0.00 -0.52 0.00 0.00 37.83 37.01 1rg5 s LYS 132 CO 0.04 -0.02 1.29 -1.25 -0.92 0.00 0.00 175.35 174.49 1rg5 s PRO 133 N -2.26 3.98 0.42 -1.68 0.04 -1.26 -0.68 135.00 133.55 1rg5 s PRO 133 Ca -0.06 2.13 0.09 0.00 0.04 0.00 0.00 61.00 63.21 1rg5 s PRO 133 Cb -0.05 -2.75 0.90 0.00 0.04 0.00 0.00 34.50 32.64 1rg5 s PRO 133 CO -0.03 -0.48 2.02 1.98 0.04 0.00 0.00 177.00 180.54 1rg5 h MET 134 N 2.68 0.33 -0.24 4.56 4.05 -1.50 -1.23 114.93 123.58 1rg5 h MET 134 Ca -0.50 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 58.96 1rg5 h MET 134 Cb 1.25 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1rg5 h MET 134 CO 0.63 0.30 0.20 1.57 0.23 0.00 0.00 176.91 179.84 1rg5 h LYS 135 N 0.33 0.00 -0.67 0.39 2.10 -1.91 -0.91 116.57 115.90 1rg5 h LYS 135 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1rg5 h LYS 135 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1rg5 h LYS 135 CO -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.44 1rg5 n ALA 136 N -2.50 2.63 -3.84 0.07 0.00 -0.47 -4.83 120.51 111.57 1rg5 n ALA 136 Ca 0.03 -1.42 -0.32 0.00 0.00 0.00 0.00 53.44 51.72 1rg5 n ALA 136 Cb 0.35 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1rg5 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rg5 s ALA 137 N -1.34 3.54 0.13 0.00 0.00 -0.35 -4.97 121.76 118.77 1rg5 s ALA 137 Ca 0.48 -3.39 -0.35 0.00 0.00 0.00 0.00 51.96 48.70 1rg5 s ALA 137 Cb 0.27 -2.39 -0.16 0.00 0.00 0.00 0.00 23.12 20.84 1rg5 s ALA 137 CO 0.29 -2.07 1.28 0.00 0.00 0.00 0.00 175.76 175.25 1rg5 n ALA 138 N 3.03 -0.79 -0.50 0.00 0.00 -1.26 -2.11 120.51 118.88 1rg5 n ALA 138 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1rg5 n ALA 138 Cb 0.35 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1rg5 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rg5 n GLY 139 N 2.33 1.76 3.77 0.00 0.00 -1.26 -5.02 105.19 106.76 1rg5 n GLY 139 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1rg5 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rg5 s PHE 140 N -3.27 3.75 0.13 1.61 0.40 -0.90 -5.07 117.98 114.64 1rg5 s PHE 140 Ca 0.00 1.81 -0.24 0.00 -0.60 0.00 0.00 56.93 57.90 1rg5 s PHE 140 Cb 0.00 -3.02 0.08 0.00 0.51 0.00 0.00 43.02 40.59 1rg5 s PHE 140 CO 0.00 0.11 0.68 -3.38 0.70 0.00 0.00 175.22 173.33 1rg5 s HIS 141 N -1.38 -0.47 -0.18 0.36 -3.43 -1.26 -5.03 115.29 103.90 1rg5 s HIS 141 Ca 0.46 0.26 -0.29 0.00 -0.80 0.00 0.00 55.06 54.69 1rg5 s HIS 141 Cb -0.24 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 1rg5 s HIS 141 CO 0.30 -0.80 1.43 0.08 -2.00 0.00 0.00 174.74 173.76 1rg5 s VAL 142 N -3.60 3.98 -0.29 -5.38 1.01 -1.26 -4.92 120.40 109.94 1rg5 s VAL 142 Ca 0.03 1.15 0.22 0.00 0.00 0.00 0.00 61.98 63.38 1rg5 s VAL 142 Cb -0.01 -3.84 -0.30 0.00 0.00 0.00 0.00 36.38 32.22 1rg5 s VAL 142 CO -0.11 -0.22 0.61 -1.54 0.00 0.00 0.00 175.10 173.85 1rg5 n SER 143 N 7.31 0.28 -3.59 3.32 3.41 -1.26 -5.01 113.62 118.08 1rg5 n SER 143 Ca 0.16 -0.25 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 1rg5 n SER 143 Cb 0.45 1.69 -0.06 0.00 -0.26 0.00 0.00 64.21 66.03 1rg5 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rg5 s ALA 144 N -3.38 -1.92 0.00 7.33 0.00 -1.26 -5.16 121.76 117.38 1rg5 s ALA 144 Ca -0.04 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1rg5 s ALA 144 Cb 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1rg5 s ALA 144 CO 0.89 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1rg5 n GLY 145 N 1.25 0.33 3.68 0.00 0.00 -1.26 -4.89 105.19 104.30 1rg5 n GLY 145 Ca -0.12 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 1rg5 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rg5 s LYS 146 N -1.07 4.34 -0.12 1.61 2.47 -1.26 -5.01 119.74 120.70 1rg5 s LYS 146 Ca 0.00 1.48 -0.29 0.00 -1.56 0.00 0.00 55.97 55.59 1rg5 s LYS 146 Cb 0.00 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.72 1rg5 s LYS 146 CO 0.00 -0.48 1.76 1.21 0.16 0.00 0.00 175.35 178.00 1rg5 s ASN 147 N 1.31 6.39 0.00 1.43 3.84 -1.26 -4.94 114.94 121.71 1rg5 s ASN 147 Ca 0.50 2.05 0.24 0.00 0.21 0.00 0.00 52.86 55.85 1rg5 s ASN 147 Cb -0.19 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 38.98 1rg5 s ASN 147 CO 0.15 -1.19 1.75 -0.81 -2.79 0.00 0.00 177.10 174.22 1rg5 n PRO 148 N 7.58 0.00 -2.35 0.43 -0.05 -1.26 -4.86 135.00 134.49 1rg5 n PRO 148 Ca 0.20 0.10 -0.42 0.00 -0.05 0.00 0.00 63.50 63.32 1rg5 n PRO 148 Cb 0.44 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 32.36 1rg5 n PRO 148 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1rg5 s ILE 149 N -3.00 4.04 0.00 0.52 1.01 -1.26 -1.52 121.20 120.98 1rg5 s ILE 149 Ca 0.11 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1rg5 s ILE 149 Cb 0.15 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1rg5 s ILE 149 CO 0.43 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1rg5 n GLY 150 N 3.54 2.62 3.77 6.18 0.00 -0.56 -5.03 105.19 115.71 1rg5 n GLY 150 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1rg5 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg5 s LEU 151 N 0.00 4.41 0.64 0.99 1.43 -0.58 -4.75 118.68 120.82 1rg5 s LEU 151 Ca 0.00 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.90 1rg5 s LEU 151 Cb 0.00 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 1rg5 s LEU 151 CO 0.00 -0.10 1.13 -2.16 0.23 0.00 0.00 176.35 175.45 1rg5 s PRO 152 N -1.84 2.85 -0.12 1.29 0.04 -1.26 -1.38 135.00 134.58 1rg5 s PRO 152 Ca 0.49 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1rg5 s PRO 152 Cb -0.23 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1rg5 s PRO 152 CO 0.29 -1.23 -0.17 0.08 0.04 0.00 0.00 177.00 176.00 1rg5 s VAL 153 N -2.11 2.65 -0.04 -0.36 1.01 0.78 -1.13 120.40 121.19 1rg5 s VAL 153 Ca 0.70 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1rg5 s VAL 153 Cb -0.23 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1rg5 s VAL 153 CO 0.38 0.54 -0.21 -0.60 0.00 0.00 0.00 175.10 175.21 1rg5 s ARG 154 N 0.36 2.42 0.58 2.72 3.52 -0.17 -0.38 118.95 128.00 1rg5 s ARG 154 Ca -0.14 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.68 1rg5 s ARG 154 Cb -0.17 -2.23 0.07 0.00 -1.56 0.00 0.00 34.95 31.06 1rg5 s ARG 154 CO 0.07 0.53 0.80 0.20 -0.81 0.00 0.00 175.30 176.09 1rg5 s GLY 155 N -0.51 1.81 0.55 8.12 0.00 -0.05 -1.02 107.32 116.21 1rg5 s GLY 155 Ca 0.07 -1.67 0.36 0.00 0.00 0.00 0.00 44.72 43.48 1rg5 s GLY 155 CO 0.01 -1.28 2.08 0.00 0.00 0.00 0.00 173.10 173.91 1rg5 n ASP 157 N -2.92 0.50 -2.09 0.00 5.75 -1.26 -3.43 116.55 113.10 1rg5 n ASP 157 Ca -0.01 -2.01 -0.20 0.00 -0.01 0.00 0.00 54.79 52.57 1rg5 n ASP 157 Cb 0.18 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.02 1rg5 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rg5 n LEU 158 N -0.27 -1.67 -4.56 -2.12 4.77 0.72 -5.00 117.00 108.87 1rg5 n LEU 158 Ca 0.01 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1rg5 n LEU 158 Cb 0.12 -2.78 -0.10 0.00 -2.33 0.00 0.00 43.42 38.32 1rg5 n LEU 158 CO 0.01 -0.51 -0.44 -0.70 -1.33 0.00 0.00 177.39 174.42 1rg5 s GLU 159 N -4.53 2.06 -0.21 3.23 2.56 -1.25 -4.90 118.70 115.67 1rg5 s GLU 159 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 54.97 53.66 1rg5 s GLU 159 Cb 0.00 -2.27 -0.01 0.00 2.00 0.00 0.00 34.13 33.86 1rg5 s GLU 159 CO 0.00 0.50 0.88 0.42 -0.56 0.00 0.00 175.26 176.50 1rg5 s ILE 160 N -1.19 4.82 -0.30 -3.70 -1.09 -1.26 -0.88 121.20 117.60 1rg5 s ILE 160 Ca 0.21 1.70 0.22 0.00 -2.23 0.00 0.00 60.65 60.55 1rg5 s ILE 160 Cb -0.11 -4.17 -0.20 0.00 -1.58 0.00 0.00 42.46 36.40 1rg5 s ILE 160 CO 0.13 -0.05 0.78 0.00 -1.23 0.00 0.00 174.94 174.57 1rg5 n ALA 161 N 5.72 3.05 0.00 9.38 0.00 0.48 -4.96 120.51 134.18 1rg5 n ALA 161 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1rg5 n ALA 161 Cb 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1rg5 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rg5 n GLY 162 N 1.29 -0.73 3.01 0.00 0.00 -1.21 -4.22 105.19 103.33 1rg5 n GLY 162 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1rg5 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rg5 s LYS 163 N -1.08 0.41 0.03 1.61 -2.85 -0.93 -0.16 119.74 116.77 1rg5 s LYS 163 Ca 0.00 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 1rg5 s LYS 163 Cb 0.00 -0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.59 1rg5 s LYS 163 CO 0.00 0.01 1.15 0.08 0.10 0.00 0.00 175.35 176.69 1rg5 s VAL 164 N -1.25 4.26 -0.07 1.79 1.01 -0.48 -0.52 120.40 125.14 1rg5 s VAL 164 Ca -0.11 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.51 1rg5 s VAL 164 Cb -0.09 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1rg5 s VAL 164 CO -0.00 0.11 0.08 1.33 0.00 0.00 0.00 175.10 176.62 1rg5 n VAL 165 N 4.00 0.00 -3.75 2.92 0.24 0.11 -1.50 118.33 120.35 1rg5 n VAL 165 Ca 0.08 -0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 62.02 1rg5 n VAL 165 Cb 0.47 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 1rg5 n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rg5 s ASP 166 N -1.57 -0.22 -0.08 -1.34 -1.08 -1.21 -4.96 116.67 106.21 1rg5 s ASP 166 Ca 0.00 -0.42 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 1rg5 s ASP 166 Cb 0.02 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.99 1rg5 s ASP 166 CO 0.09 -0.99 -0.10 -0.63 0.52 0.00 0.00 175.17 174.06 1rg5 s ILE 167 N -3.44 3.39 -0.24 4.11 1.01 -1.26 -1.92 121.20 122.84 1rg5 s ILE 167 Ca 0.11 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 1rg5 s ILE 167 Cb -0.02 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1rg5 s ILE 167 CO 0.02 0.58 0.16 0.26 0.00 0.00 0.00 174.94 175.95 1rg5 s TRP 168 N -0.51 3.32 0.05 3.97 0.52 0.09 -1.14 118.94 125.25 1rg5 s TRP 168 Ca 0.07 0.22 0.06 0.00 0.02 0.00 0.00 56.10 56.47 1rg5 s TRP 168 Cb -0.12 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1rg5 s TRP 168 CO 0.02 0.08 -0.12 0.14 0.02 0.00 0.00 176.95 177.09 1rg5 s VAL 169 N 1.01 3.27 -0.50 4.03 -7.23 0.14 -0.87 120.40 120.25 1rg5 s VAL 169 Ca 0.07 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 1rg5 s VAL 169 Cb -0.13 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1rg5 s VAL 169 CO 0.04 0.28 1.02 -0.62 -0.31 0.00 0.00 175.10 175.50 1rg5 s ASP 170 N -1.70 6.49 0.03 4.85 -1.08 0.16 -1.83 116.67 123.58 1rg5 s ASP 170 Ca 0.18 0.10 -0.26 0.00 -0.52 0.00 0.00 52.55 52.04 1rg5 s ASP 170 Cb -0.11 -2.49 -0.17 0.00 -1.46 0.00 0.00 42.92 38.70 1rg5 s ASP 170 CO 0.09 -1.20 1.36 0.40 0.52 0.00 0.00 175.17 176.35 1rg5 h ILE 171 N 6.12 0.65 -0.69 4.11 2.04 -1.68 0.10 117.51 128.16 1rg5 h ILE 171 Ca -0.24 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.31 1rg5 h ILE 171 Cb 1.07 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 1rg5 h ILE 171 CO 1.09 0.08 0.30 -0.65 0.00 0.00 0.00 178.15 178.96 1rg5 h PRO 172 N -0.71 0.48 -0.24 2.37 0.11 -1.95 -2.93 132.00 129.12 1rg5 h PRO 172 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rg5 h PRO 172 Cb 0.49 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1rg5 h PRO 172 CO 0.08 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 178.57 1rg5 n GLU 173 N -4.95 2.21 -3.87 1.05 1.02 -1.24 -5.01 120.64 109.85 1rg5 n GLU 173 Ca 0.11 -1.81 -0.36 0.00 -0.02 0.00 0.00 57.16 55.08 1rg5 n GLU 173 Cb 0.32 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 1rg5 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rg5 n GLN 174 N 1.06 -1.06 -4.18 3.49 6.02 0.00 -4.98 117.38 117.73 1rg5 n GLN 174 Ca 0.18 0.30 -0.16 0.00 -0.01 0.00 0.00 57.00 57.31 1rg5 n GLN 174 Cb 0.51 -3.57 -0.14 0.00 1.02 0.00 0.00 30.24 28.07 1rg5 n GLN 174 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rg5 s MET 175 N -6.61 0.54 -0.14 -1.09 -1.94 -1.08 -4.97 119.30 104.02 1rg5 s MET 175 Ca 0.42 -0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 53.69 1rg5 s MET 175 Cb -0.18 -0.46 -0.02 0.00 2.01 0.00 0.00 34.83 36.18 1rg5 s MET 175 CO 0.91 0.12 1.20 0.00 -0.01 0.00 0.00 175.02 177.24 1rg5 s ALA 176 N -0.55 3.60 -0.12 3.03 0.00 -1.26 -0.67 121.76 125.79 1rg5 s ALA 176 Ca -0.01 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1rg5 s ALA 176 Cb -0.05 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 1rg5 s ALA 176 CO 0.00 -1.00 -0.06 0.54 0.00 0.00 0.00 175.76 175.24 1rg5 n ARG 177 N 6.05 1.07 -4.13 0.00 1.74 -0.04 -4.82 116.66 116.53 1rg5 n ARG 177 Ca 0.12 0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1rg5 n ARG 177 Cb 0.46 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.53 1rg5 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rg5 s PHE 178 N -2.25 0.78 -0.15 -1.55 0.40 -1.09 -1.75 117.98 112.36 1rg5 s PHE 178 Ca -0.13 -0.82 -0.07 0.00 -0.60 0.00 0.00 56.93 55.31 1rg5 s PHE 178 Cb 0.04 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 1rg5 s PHE 178 CO 0.34 -0.16 0.08 -0.51 0.70 0.00 0.00 175.22 175.67 1rg5 s LEU 179 N -2.62 3.99 -0.25 -0.37 1.43 -0.24 -0.73 118.68 119.89 1rg5 s LEU 179 Ca 0.05 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 1rg5 s LEU 179 Cb 0.01 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1rg5 s LEU 179 CO -0.04 0.27 0.43 -0.70 0.23 0.00 0.00 176.35 176.53 1rg5 s GLU 180 N -0.18 4.08 -0.10 1.70 2.12 -0.81 -0.92 118.70 124.58 1rg5 s GLU 180 Ca 0.08 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.59 1rg5 s GLU 180 Cb -0.12 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 1rg5 s GLU 180 CO 0.01 -0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.46 1rg5 s VAL 181 N 1.94 3.23 -0.11 3.70 1.01 0.43 -0.71 120.40 129.89 1rg5 s VAL 181 Ca 0.18 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1rg5 s VAL 181 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1rg5 s VAL 181 CO 0.09 0.55 0.40 -0.70 0.00 0.00 0.00 175.10 175.44 1rg5 s GLU 182 N -0.08 4.23 0.52 2.72 2.12 0.32 -1.50 118.70 127.04 1rg5 s GLU 182 Ca -0.01 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.68 1rg5 s GLU 182 Cb -0.14 -3.39 0.04 0.00 0.26 0.00 0.00 34.13 30.90 1rg5 s GLU 182 CO 0.03 0.28 0.73 -0.51 -0.54 0.00 0.00 175.26 175.25 1rg5 s LEU 183 N 0.27 3.36 0.54 2.70 1.43 0.02 -2.20 118.68 124.80 1rg5 s LEU 183 Ca 0.22 -0.27 0.33 0.00 -1.03 0.00 0.00 54.13 53.38 1rg5 s LEU 183 Cb -0.15 -2.59 1.50 0.00 0.03 0.00 0.00 46.19 44.98 1rg5 s LEU 183 CO 0.09 -1.10 1.87 0.50 0.23 0.00 0.00 176.35 177.93 1rg5 h LYS 184 N 0.22 0.00 -0.25 1.70 1.63 -1.88 -0.86 116.57 117.13 1rg5 h LYS 184 Ca -0.40 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1rg5 h LYS 184 Cb 1.29 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1rg5 h LYS 184 CO 0.47 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.08 1rg5 n ASP 185 N -4.25 2.70 0.00 4.20 5.75 -1.26 -4.97 116.55 118.73 1rg5 n ASP 185 Ca 0.20 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1rg5 n ASP 185 Cb 1.04 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 1rg5 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rg5 n GLY 186 N 1.34 0.80 3.92 6.12 0.00 -0.33 -5.07 105.19 111.97 1rg5 n GLY 186 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1rg5 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rg5 s SER 187 N -2.66 5.40 0.28 1.61 1.04 -1.26 -4.81 113.70 113.30 1rg5 s SER 187 Ca 0.00 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.22 1rg5 s SER 187 Cb 0.00 -1.59 -0.05 0.00 0.10 0.00 0.00 66.02 64.48 1rg5 s SER 187 CO 0.00 -1.21 -0.15 0.42 0.98 0.00 0.00 173.24 173.28 1rg5 s THR 188 N -3.08 2.18 0.12 2.02 -4.23 -1.26 -0.80 115.64 110.59 1rg5 s THR 188 Ca 0.56 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1rg5 s THR 188 Cb -0.11 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1rg5 s THR 188 CO 0.46 -0.39 0.01 -0.13 -0.54 0.00 0.00 174.62 174.02 1rg5 s ARG 189 N -3.58 0.90 -0.07 3.99 1.81 -0.56 -4.91 118.95 116.52 1rg5 s ARG 189 Ca 0.29 -1.41 -0.04 0.00 -1.72 0.00 0.00 55.73 52.85 1rg5 s ARG 189 Cb -0.02 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 1rg5 s ARG 189 CO 0.13 -0.16 0.10 -0.51 -0.68 0.00 0.00 175.30 174.18 1rg5 s LEU 190 N -3.06 4.07 -0.07 2.53 1.43 -1.26 -0.43 118.68 121.89 1rg5 s LEU 190 Ca 0.19 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1rg5 s LEU 190 Cb 0.07 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1rg5 s LEU 190 CO -0.01 0.36 -0.20 -0.76 0.23 0.00 0.00 176.35 175.96 1rg5 s LEU 191 N -1.24 1.96 0.29 1.79 1.43 -0.10 -4.98 118.68 117.83 1rg5 s LEU 191 Ca 0.17 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1rg5 s LEU 191 Cb -0.12 -1.20 -0.10 0.00 0.03 0.00 0.00 46.19 44.80 1rg5 s LEU 191 CO 0.07 0.15 1.45 -2.16 0.23 0.00 0.00 176.35 176.09 1rg5 s PRO 192 N 0.26 4.23 0.39 1.29 0.04 -1.26 -1.08 135.00 138.87 1rg5 s PRO 192 Ca -0.13 2.38 0.11 0.00 0.04 0.00 0.00 61.00 63.40 1rg5 s PRO 192 Cb -0.16 -3.07 0.80 0.00 0.04 0.00 0.00 34.50 32.12 1rg5 s PRO 192 CO 0.06 -0.44 1.91 0.52 0.04 0.00 0.00 177.00 179.09 1rg5 h MET 193 N 4.42 0.16 0.00 4.56 2.86 -1.66 -2.11 114.93 123.16 1rg5 h MET 193 Ca -0.47 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1rg5 h MET 193 Cb 1.22 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1rg5 h MET 193 CO 0.74 0.35 0.00 1.04 1.06 0.00 0.00 176.91 180.10 1rg5 n GLN 194 N -4.25 0.03 -0.12 1.72 3.00 -1.26 -3.05 117.38 113.45 1rg5 n GLN 194 Ca -0.01 0.29 0.07 0.00 -0.01 0.00 0.00 57.00 57.34 1rg5 n GLN 194 Cb 0.29 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 29.15 1rg5 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1rg5 n MET 195 N -1.45 2.16 -4.41 -1.09 2.81 -0.79 -5.01 117.12 109.33 1rg5 n MET 195 Ca 0.03 -2.27 -0.21 0.00 -1.81 0.00 0.00 57.70 53.44 1rg5 n MET 195 Cb 0.11 -1.39 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1rg5 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1rg5 s VAL 196 N -2.18 1.89 -0.22 2.03 -7.23 -1.17 -4.55 120.40 108.97 1rg5 s VAL 196 Ca 0.24 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1rg5 s VAL 196 Cb 0.20 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1rg5 s VAL 196 CO 0.04 -0.44 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.59 1rg5 s LYS 197 N -3.64 1.61 -0.08 4.82 2.47 -0.73 -5.00 119.74 119.19 1rg5 s LYS 197 Ca 0.27 -0.90 -0.28 0.00 -1.56 0.00 0.00 55.97 53.50 1rg5 s LYS 197 Cb 0.00 -2.49 -0.02 0.00 -1.46 0.00 0.00 37.83 33.85 1rg5 s LYS 197 CO 0.11 -0.56 0.90 0.08 0.16 0.00 0.00 175.35 176.03 1rg5 s VAL 198 N 1.44 4.88 0.48 4.02 1.01 -1.26 -1.07 120.40 129.90 1rg5 s VAL 198 Ca -0.04 1.84 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1rg5 s VAL 198 Cb -0.18 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1rg5 s VAL 198 CO -0.07 0.11 0.07 -1.10 0.00 0.00 0.00 175.10 174.11 1rg5 s GLN 199 N 1.50 2.13 0.25 2.72 -0.21 -0.08 -5.00 119.66 120.97 1rg5 s GLN 199 Ca 0.45 -2.36 -0.05 0.00 0.02 0.00 0.00 55.36 53.42 1rg5 s GLN 199 Cb -0.19 -1.08 0.30 0.00 1.00 0.00 0.00 33.01 33.05 1rg5 s GLN 199 CO 0.20 -0.48 1.91 0.77 -2.12 0.00 0.00 175.29 175.57 1rg5 h SER 200 N 1.47 1.10 0.00 5.90 0.02 -2.02 -3.27 113.55 116.75 1rg5 h SER 200 Ca -0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1rg5 h SER 200 Cb 1.31 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1rg5 h SER 200 CO 0.64 0.77 0.00 -0.46 -1.14 0.00 0.00 176.83 176.64 1rg5 n ASN 201 N -4.43 1.48 -3.58 3.07 6.94 -1.26 -5.07 115.26 112.41 1rg5 n ASN 201 Ca 0.13 -1.54 -0.05 0.00 -0.02 0.00 0.00 54.58 53.10 1rg5 n ASN 201 Cb 0.07 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1rg5 n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rg5 s ARG 202 N -0.54 0.49 -0.15 -3.83 1.70 -1.23 -4.56 118.95 110.82 1rg5 s ARG 202 Ca 0.00 -0.19 -0.05 0.00 -0.47 0.00 0.00 55.73 55.02 1rg5 s ARG 202 Cb 0.00 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1rg5 s ARG 202 CO 0.00 -0.21 0.02 0.08 -1.08 0.00 0.00 175.30 174.10 1rg5 s VAL 203 N -2.64 4.42 -0.12 4.99 1.01 -0.28 -0.90 120.40 126.88 1rg5 s VAL 203 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1rg5 s VAL 203 Cb -0.01 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1rg5 s VAL 203 CO -0.06 0.50 -0.04 -2.28 0.00 0.00 0.00 175.10 173.23 1rg5 s HIS 204 N 0.09 3.02 -0.30 5.22 2.46 -0.23 -1.00 115.29 124.56 1rg5 s HIS 204 Ca 0.03 -0.12 0.03 0.00 0.47 0.00 0.00 55.06 55.47 1rg5 s HIS 204 Cb -0.13 -1.86 0.08 0.00 -0.13 0.00 0.00 32.58 30.55 1rg5 s HIS 204 CO 0.02 0.16 -0.01 0.08 -2.47 0.00 0.00 174.74 172.52 1rg5 s VAL 205 N -0.20 2.01 0.13 0.89 1.01 -0.19 -1.77 120.40 122.27 1rg5 s VAL 205 Ca 0.04 -1.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 1rg5 s VAL 205 Cb -0.13 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1rg5 s VAL 205 CO 0.02 -0.37 1.44 0.78 0.00 0.00 0.00 175.10 176.97 1rg5 h ASN 206 N 7.75 0.99 0.29 3.32 2.35 -1.86 -2.29 115.58 126.13 1rg5 h ASN 206 Ca -0.11 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.12 1rg5 h ASN 206 Cb 1.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1rg5 h ASN 206 CO 0.48 1.29 -0.10 0.00 -1.65 0.00 0.00 177.43 177.45 1rg5 h ALA 207 N 0.73 1.35 -3.75 -0.83 0.00 -1.87 -3.40 119.26 111.48 1rg5 h ALA 207 Ca 0.04 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 1rg5 h ALA 207 Cb 1.06 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1rg5 h ALA 207 CO 0.11 0.13 -0.80 -0.51 0.00 0.00 0.00 179.25 178.17 1rg5 s LEU 208 N -7.42 2.19 0.42 0.00 1.43 -1.24 -3.58 118.68 110.47 1rg5 s LEU 208 Ca -0.03 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1rg5 s LEU 208 Cb 0.14 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1rg5 s LEU 208 CO 0.58 0.04 0.66 -0.94 0.23 0.00 0.00 176.35 176.92 1rg5 s SER 209 N -1.24 6.12 0.24 2.29 1.04 -1.26 -0.18 113.70 120.71 1rg5 s SER 209 Ca 0.02 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1rg5 s SER 209 Cb -0.08 -1.92 0.31 0.00 0.10 0.00 0.00 66.02 64.43 1rg5 s SER 209 CO 0.02 -0.52 1.86 0.77 0.98 0.00 0.00 173.24 176.35 1rg5 h SER 210 N 0.48 0.86 0.34 7.02 4.64 -1.89 0.14 113.55 125.15 1rg5 h SER 210 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1rg5 h SER 210 Cb 1.23 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1rg5 h SER 210 CO 0.60 0.56 0.00 -0.90 -0.87 0.00 0.00 176.83 176.23 1rg5 n ASP 211 N -4.60 0.18 -0.58 4.97 5.75 -1.26 -3.01 116.55 118.00 1rg5 n ASP 211 Ca 0.12 0.56 0.13 0.00 -0.01 0.00 0.00 54.79 55.58 1rg5 n ASP 211 Cb 0.15 -0.59 0.29 0.00 -1.03 0.00 0.00 41.12 39.94 1rg5 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rg5 n LEU 212 N -1.71 1.93 -0.02 -2.12 4.77 0.04 -4.43 117.00 115.46 1rg5 n LEU 212 Ca 0.02 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 1rg5 n LEU 212 Cb 0.12 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1rg5 n LEU 212 CO 0.10 0.33 0.57 -0.26 -1.33 0.00 0.00 177.39 176.81 1rg5 h PHE 213 N 2.84 0.73 0.00 -1.77 -1.00 -1.63 -3.01 116.94 113.09 1rg5 h PHE 213 Ca 0.00 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.53 1rg5 h PHE 213 Cb 0.69 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1rg5 h PHE 213 CO 0.00 0.93 -0.14 0.00 -1.61 0.00 0.00 178.31 177.49 1rg5 h ALA 214 N 1.04 1.36 -0.00 2.45 0.00 -1.82 -2.75 119.26 119.53 1rg5 h ALA 214 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rg5 h ALA 214 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rg5 h ALA 214 CO 0.08 0.17 -0.08 0.41 0.00 0.00 0.00 179.25 179.84 1rg5 n GLY 215 N -0.74 -1.38 3.67 0.00 0.00 -1.14 -4.84 105.19 100.77 1rg5 n GLY 215 Ca -0.02 -0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 1rg5 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rg5 n ILE 216 N -1.41 0.21 -1.67 -0.61 5.41 -1.04 -4.90 119.36 115.35 1rg5 n ILE 216 Ca 0.09 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.35 1rg5 n ILE 216 Cb 0.32 -1.61 -0.03 0.00 -0.71 0.00 0.00 39.64 37.60 1rg5 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1rg5 n PRO 217 N 4.53 2.08 -2.41 0.38 -0.02 -1.26 -5.01 135.00 133.28 1rg5 n PRO 217 Ca 0.19 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 62.15 1rg5 n PRO 217 Cb 0.28 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.35 1rg5 n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rg5 s THR 218 N 0.29 3.78 0.18 3.45 -4.23 -1.26 -4.82 115.64 113.03 1rg5 s THR 218 Ca 0.72 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 1rg5 s THR 218 Cb -0.66 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1rg5 s THR 218 CO 0.45 -0.51 0.18 0.27 -0.54 0.00 0.00 174.62 174.48 1rg5 s ILE 219 N -2.97 4.66 -0.17 2.99 -4.36 -1.26 -5.03 121.20 115.05 1rg5 s ILE 219 Ca 0.53 -1.08 0.20 0.00 -0.26 0.00 0.00 60.65 60.04 1rg5 s ILE 219 Cb -0.11 -3.42 -0.08 0.00 1.25 0.00 0.00 42.46 40.11 1rg5 s ILE 219 CO 0.45 -0.17 0.90 2.29 0.24 0.00 0.00 174.94 178.66 1rg5 n LYS 220 N -0.60 0.62 -5.03 0.37 2.85 -1.26 -4.80 118.16 110.30 1rg5 n LYS 220 Ca -0.08 0.16 -0.28 0.00 -1.05 0.00 0.00 58.31 57.06 1rg5 n LYS 220 Cb 0.55 -1.80 -0.15 0.00 -0.65 0.00 0.00 35.03 32.97 1rg5 n LYS 220 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1rg5 s SER 221 N -5.53 2.58 0.18 -5.58 0.15 -1.26 -5.05 113.70 99.18 1rg5 s SER 221 Ca -0.02 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.45 1rg5 s SER 221 Cb 0.09 -0.28 0.91 0.00 -1.71 0.00 0.00 66.02 65.03 1rg5 s SER 221 CO 0.81 0.26 1.73 -0.81 1.20 0.00 0.00 173.24 176.42 1rg5 n PRO 222 N 2.45 0.17 -0.14 5.44 -0.04 -1.26 -3.62 135.00 138.01 1rg5 n PRO 222 Ca -0.16 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1rg5 n PRO 222 Cb 0.52 -1.76 0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1rg5 n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rg5 n THR 223 N -2.08 1.11 -3.63 0.52 -2.24 -1.26 -4.97 114.28 101.73 1rg5 n THR 223 Ca 0.04 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.62 1rg5 n THR 223 Cb 0.30 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1rg5 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1rg5 s GLU 224 N -1.17 1.06 0.00 -0.78 -1.05 -1.24 -4.63 118.70 110.90 1rg5 s GLU 224 Ca 0.18 -0.66 0.07 0.00 -0.15 0.00 0.00 54.97 54.40 1rg5 s GLU 224 Cb 0.10 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1rg5 s GLU 224 CO 0.10 -0.41 -0.21 0.08 0.95 0.00 0.00 175.26 175.77 1rg5 s VAL 225 N -3.66 1.68 0.38 1.83 1.01 -1.26 -4.52 120.40 115.86 1rg5 s VAL 225 Ca 0.02 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1rg5 s VAL 225 Cb 0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1rg5 s VAL 225 CO -0.11 0.39 0.56 0.42 0.00 0.00 0.00 175.10 176.35 1rg5 s THR 226 N -0.60 4.23 0.21 3.92 -4.23 -1.26 -4.18 115.64 113.74 1rg5 s THR 226 Ca 0.08 -0.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1rg5 s THR 226 Cb -0.08 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.40 1rg5 s THR 226 CO 0.00 -0.28 1.82 -0.07 -0.54 0.00 0.00 174.62 175.55 1rg5 h LEU 227 N 0.69 1.03 -0.48 4.79 3.38 -1.27 -0.59 115.31 122.85 1rg5 h LEU 227 Ca -0.47 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1rg5 h LEU 227 Cb 1.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1rg5 h LEU 227 CO 0.56 0.85 0.29 0.25 0.09 0.00 0.00 178.44 180.49 1rg5 h LEU 228 N 1.13 0.48 -0.88 1.67 5.85 -1.54 -2.48 115.31 119.55 1rg5 h LEU 228 Ca 0.28 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1rg5 h LEU 228 Cb 0.07 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1rg5 h LEU 228 CO -0.04 0.35 0.35 -0.33 -0.34 0.00 0.00 178.44 178.42 1rg5 h GLU 229 N 0.59 1.16 -0.67 1.25 5.08 -1.71 -2.34 114.58 117.95 1rg5 h GLU 229 Ca 0.19 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1rg5 h GLU 229 Cb -0.00 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1rg5 h GLU 229 CO -0.08 0.92 0.23 0.93 -1.00 0.00 0.00 179.01 180.01 1rg5 h GLU 230 N 1.14 1.03 -0.42 2.33 5.08 -1.01 -1.70 114.58 121.03 1rg5 h GLU 230 Ca 0.27 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1rg5 h GLU 230 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1rg5 h GLU 230 CO -0.03 0.88 0.07 -0.44 -1.00 0.00 0.00 179.01 178.50 1rg5 h ASP 231 N 0.96 0.67 -0.52 1.42 5.19 -1.25 -0.51 116.42 122.39 1rg5 h ASP 231 Ca 0.22 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1rg5 h ASP 231 Cb 0.27 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1rg5 h ASP 231 CO -0.01 0.76 0.19 0.11 -3.12 0.00 0.00 179.24 177.16 1rg5 h LYS 232 N 0.56 0.78 0.31 3.56 1.57 -1.26 -0.61 116.57 121.48 1rg5 h LYS 232 Ca 0.13 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1rg5 h LYS 232 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1rg5 h LYS 232 CO 0.01 0.71 -0.15 0.82 -0.57 0.00 0.00 179.45 180.27 1rg5 h ILE 233 N 0.70 0.72 -0.63 1.86 2.04 -1.22 -2.40 117.51 118.58 1rg5 h ILE 233 Ca 0.17 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1rg5 h ILE 233 Cb 0.23 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1rg5 h ILE 233 CO -0.01 0.07 0.25 0.00 0.00 0.00 0.00 178.15 178.46 1rg5 h GLY 235 N 1.01 0.50 0.89 0.00 0.00 -1.13 -2.39 103.07 101.94 1rg5 h GLY 235 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1rg5 h GLY 235 CO -0.02 0.25 0.08 -1.82 0.00 0.00 0.00 176.54 175.03 1rg5 h TYR 236 N 0.37 0.36 -0.47 5.60 3.20 -1.26 -1.88 116.97 122.88 1rg5 h TYR 236 Ca 0.11 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1rg5 h TYR 236 Cb 0.16 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1rg5 h TYR 236 CO -0.01 0.41 -0.10 -0.39 -1.64 0.00 0.00 178.16 176.43 1rg5 h VAL 237 N 0.20 1.26 -0.36 1.81 -1.51 -1.42 -2.90 116.25 113.33 1rg5 h VAL 237 Ca 0.07 -1.19 -0.05 0.00 -1.23 0.00 0.00 66.70 64.30 1rg5 h VAL 237 Cb 0.21 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 1rg5 h VAL 237 CO -0.00 0.41 0.02 0.00 -1.23 0.00 0.00 177.57 176.77 1rg5 h ALA 238 N 1.11 1.38 -0.19 5.19 0.00 -1.38 -2.90 119.26 122.46 1rg5 h ALA 238 Ca 0.13 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rg5 h ALA 238 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rg5 h ALA 238 CO 0.04 0.44 0.13 0.78 0.00 0.00 0.00 179.25 180.64 1rg5 h GLY 239 N 0.83 0.03 2.00 0.00 0.00 -1.13 -2.83 103.07 101.97 1rg5 h GLY 239 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1rg5 h GLY 239 CO 0.01 0.01 -0.08 -1.33 0.00 0.00 0.00 176.54 175.15 1rg5 h GLY 240 N 0.02 0.00 0.34 4.60 0.00 -1.50 -1.06 103.07 105.47 1rg5 h GLY 240 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1rg5 h GLY 240 CO -0.00 0.00 0.16 1.41 0.00 0.00 0.00 176.54 178.11 1rg5 h LEU 241 N 0.00 0.10 0.00 3.11 3.38 -1.55 0.43 115.31 120.78 1rg5 h LEU 241 Ca -0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rg5 h LEU 241 Cb 0.21 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rg5 h LEU 241 CO 0.01 0.07 -0.00 -0.03 0.09 0.00 0.00 178.44 178.58 1rg5 h MET 242 N 0.31 -0.00 0.00 1.13 4.05 -1.69 -3.37 114.93 115.37 1rg5 h MET 242 Ca 0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1rg5 h MET 242 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1rg5 h MET 242 CO -0.33 0.92 -0.96 1.88 0.23 0.00 0.00 176.91 178.66 1rg5 h TYR 243 N -0.99 0.00 0.00 1.39 0.05 -1.14 -3.25 116.97 113.03 1rg5 h TYR 243 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rg5 h TYR 243 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1rg5 h TYR 243 CO 0.26 0.00 -0.58 0.00 -1.05 0.00 0.00 178.16 176.79 1rg5 h ALA 244 N 2.08 0.68 -0.73 3.88 0.00 -1.10 -3.42 119.26 120.64 1rg5 h ALA 244 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1rg5 h ALA 244 Cb 0.96 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1rg5 h ALA 244 CO 0.00 0.00 0.26 0.00 0.00 0.00 0.00 179.25 179.51 1rg5 n ALA 245 N -2.04 0.62 -0.28 0.00 0.00 -1.22 -0.88 120.51 116.72 1rg5 n ALA 245 Ca 0.02 0.76 0.17 0.00 0.00 0.00 0.00 53.44 54.40 1rg5 n ALA 245 Cb 0.51 -0.69 0.33 0.00 0.00 0.00 0.00 19.45 19.60 1rg5 n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rg5 n PRO 246 N -4.77 -0.06 0.03 0.00 -0.02 -1.26 -2.58 135.00 126.33 1rg5 n PRO 246 Ca 0.24 1.21 0.10 0.00 -2.02 0.00 0.00 63.50 63.03 1rg5 n PRO 246 Cb 0.81 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 1rg5 n PRO 246 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rg5 n LYS 247 N -5.08 0.64 -1.65 -0.52 4.76 -0.06 -4.93 118.16 111.33 1rg5 n LYS 247 Ca 0.24 -0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.22 1rg5 n LYS 247 Cb 0.79 -1.63 0.04 0.00 -1.84 0.00 0.00 35.03 32.39 1rg5 n LYS 247 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1rg5 n ARG 248 N -2.43 1.22 -3.15 1.97 0.63 -1.06 -4.04 116.66 109.79 1rg5 n ARG 248 Ca -0.04 0.46 0.04 0.00 -0.92 0.00 0.00 57.85 57.39 1rg5 n ARG 248 Cb 0.59 -2.25 -0.01 0.00 0.45 0.00 0.00 32.46 31.24 1rg5 n ARG 248 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1rg5 s LYS 249 N -2.62 0.44 0.00 -0.14 -2.85 -1.22 -4.97 119.74 108.37 1rg5 s LYS 249 Ca 0.72 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 1rg5 s LYS 249 Cb -0.45 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 1rg5 s LYS 249 CO 0.50 -0.54 0.00 0.43 0.10 0.00 0.00 175.35 175.83