#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry5 h LEU 12 N 0.00 0.77 -0.67 -2.67 7.12 -2.05 -1.61 115.31 116.20 1ry5 h LEU 12 Ca 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.96 1ry5 h LEU 12 Cb 0.00 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 39.95 1ry5 h LEU 12 CO 0.00 0.52 0.19 0.00 -0.13 0.00 0.00 178.44 179.01 1ry5 h ALA 13 N 1.35 0.88 -0.50 1.25 0.00 -2.05 -1.06 119.26 119.12 1ry5 h ALA 13 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ry5 h ALA 13 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ry5 h ALA 13 CO -0.14 0.57 0.30 0.77 0.00 0.00 0.00 179.25 180.76 1ry5 h SER 14 N 0.98 0.61 -0.61 0.00 0.02 -1.86 -1.03 113.55 111.65 1ry5 h SER 14 Ca 0.21 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1ry5 h SER 14 Cb 0.33 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1ry5 h SER 14 CO -0.00 0.49 0.30 0.25 -1.14 0.00 0.00 176.83 176.73 1ry5 h LEU 15 N 0.67 0.80 0.05 5.07 5.85 -1.06 -1.07 115.31 125.62 1ry5 h LEU 15 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ry5 h LEU 15 Cb -0.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1ry5 h LEU 15 CO -0.03 0.70 -0.02 0.00 -0.34 0.00 0.00 178.44 178.74 1ry5 h ALA 16 N 1.13 -0.06 -0.53 1.25 0.00 -0.78 0.63 119.26 120.89 1ry5 h ALA 16 Ca 0.21 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ry5 h ALA 16 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ry5 h ALA 16 CO -0.03 -0.50 -0.04 0.97 0.00 0.00 0.00 179.25 179.65 1ry5 h ILE 17 N -0.14 1.27 -0.57 0.00 6.09 -1.12 0.16 117.51 123.19 1ry5 h ILE 17 Ca -0.01 -1.17 -0.00 0.00 -1.37 0.00 0.00 64.86 62.31 1ry5 h ILE 17 Cb 0.12 0.95 -0.03 0.00 0.47 0.00 0.00 36.82 38.33 1ry5 h ILE 17 CO 0.01 0.41 0.34 0.22 -3.07 0.00 0.00 178.15 176.06 1ry5 h TYR 18 N 0.84 0.76 -0.65 2.19 3.20 -1.12 -2.21 116.97 119.98 1ry5 h TYR 18 Ca 0.15 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1ry5 h TYR 18 Cb 0.59 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1ry5 h TYR 18 CO 0.04 0.52 0.26 1.03 -1.64 0.00 0.00 178.16 178.38 1ry5 h SER 19 N 0.77 0.89 -0.64 -2.11 0.87 -0.48 -2.89 113.55 109.95 1ry5 h SER 19 Ca 0.20 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ry5 h SER 19 Cb -0.01 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 1ry5 h SER 19 CO -0.04 0.81 0.41 0.15 -0.53 0.00 0.00 176.83 177.63 1ry5 h PHE 20 N 0.91 0.83 -0.31 2.24 3.57 -0.25 -1.57 116.94 122.36 1ry5 h PHE 20 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1ry5 h PHE 20 Cb 0.20 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ry5 h PHE 20 CO 0.01 0.55 0.05 -1.49 -2.23 0.00 0.00 178.31 175.20 1ry5 h TRP 21 N 0.87 0.46 -0.16 0.41 4.06 -1.29 0.22 115.95 120.53 1ry5 h TRP 21 Ca 0.23 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.13 1ry5 h TRP 21 Cb -0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 1ry5 h TRP 21 CO -0.02 0.42 -0.01 0.82 -3.56 0.00 0.00 178.44 176.09 1ry5 h ILE 22 N 0.45 1.27 -0.41 1.49 1.08 -1.23 -1.79 117.51 118.36 1ry5 h ILE 22 Ca 0.10 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 1ry5 h ILE 22 Cb 0.22 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.48 1ry5 h ILE 22 CO 0.00 0.27 0.21 0.15 -0.69 0.00 0.00 178.15 178.09 1ry5 h PHE 23 N 0.02 0.39 -0.89 1.37 3.57 -0.61 -2.08 116.94 118.70 1ry5 h PHE 23 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ry5 h PHE 23 Cb 0.41 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1ry5 h PHE 23 CO 0.04 0.21 0.55 1.25 -2.23 0.00 0.00 178.31 178.13 1ry5 h LEU 24 N 0.43 1.06 -0.66 0.59 5.85 -0.46 0.17 115.31 122.28 1ry5 h LEU 24 Ca 0.17 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1ry5 h LEU 24 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1ry5 h LEU 24 CO -0.11 0.81 0.28 0.00 -0.34 0.00 0.00 178.44 179.07 1ry5 h ALA 25 N 1.30 0.86 -0.53 1.25 0.00 -1.03 -0.21 119.26 120.90 1ry5 h ALA 25 Ca 0.32 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1ry5 h ALA 25 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ry5 h ALA 25 CO -0.06 0.47 -0.07 0.78 0.00 0.00 0.00 179.25 180.37 1ry5 h GLY 26 N 0.93 1.04 0.96 0.00 0.00 -0.71 -1.60 103.07 103.69 1ry5 h GLY 26 Ca 0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1ry5 h GLY 26 CO -0.02 0.73 0.12 -2.00 0.00 0.00 0.00 176.54 175.37 1ry5 h LEU 27 N 0.87 0.69 -0.78 3.11 5.85 -0.25 -1.06 115.31 123.74 1ry5 h LEU 27 Ca 0.15 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1ry5 h LEU 27 Cb 0.60 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1ry5 h LEU 27 CO 0.04 0.73 0.24 0.40 -0.34 0.00 0.00 178.44 179.51 1ry5 h ILE 28 N 0.62 1.26 -0.24 4.05 2.04 -0.92 0.13 117.51 124.44 1ry5 h ILE 28 Ca 0.15 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1ry5 h ILE 28 Cb 0.30 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1ry5 h ILE 28 CO -0.00 0.36 0.15 0.22 0.00 0.00 0.00 178.15 178.88 1ry5 h TYR 29 N 1.11 0.29 0.00 1.37 3.20 -1.02 -0.42 116.97 121.50 1ry5 h TYR 29 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1ry5 h TYR 29 Cb 0.30 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1ry5 h TYR 29 CO 0.02 0.18 -0.02 -0.92 -1.64 0.00 0.00 178.16 175.78 1ry5 h TYR 30 N 0.31 -0.05 -0.64 -3.82 3.20 -0.68 -2.06 116.97 113.23 1ry5 h TYR 30 Ca 0.09 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1ry5 h TYR 30 Cb -0.03 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1ry5 h TYR 30 CO -0.07 -0.03 0.41 -0.07 -1.64 0.00 0.00 178.16 176.77 1ry5 h LEU 31 N -0.04 0.71 -0.69 2.82 3.38 -0.53 -0.80 115.31 120.16 1ry5 h LEU 31 Ca 0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ry5 h LEU 31 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ry5 h LEU 31 CO -0.02 0.50 0.18 -0.61 0.09 0.00 0.00 178.44 178.58 1ry5 h GLN 32 N 0.84 1.09 -0.29 1.13 5.75 -0.96 -1.75 115.11 120.92 1ry5 h GLN 32 Ca 0.24 -0.26 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1ry5 h GLN 32 Cb -0.06 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 1ry5 h GLN 32 CO -0.07 0.96 -0.30 1.79 -2.65 0.00 0.00 178.83 178.56 1ry5 h THR 33 N 1.02 1.28 -0.35 2.39 1.35 -1.07 -2.49 112.91 115.05 1ry5 h THR 33 Ca 0.22 -1.40 -0.03 0.00 -0.55 0.00 0.00 66.41 64.64 1ry5 h THR 33 Cb 0.36 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1ry5 h THR 33 CO 0.00 0.45 0.08 -0.33 -0.25 0.00 0.00 175.52 175.48 1ry5 h GLU 34 N 0.51 0.50 -0.48 4.72 4.39 -0.79 -1.80 114.58 121.64 1ry5 h GLU 34 Ca 0.06 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ry5 h GLU 34 Cb 0.78 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ry5 h GLU 34 CO 0.06 0.47 0.00 0.09 -1.16 0.00 0.00 179.01 178.47 1ry5 n ASN 35 N -4.35 1.29 -0.62 1.42 3.02 -0.69 -3.09 115.26 112.24 1ry5 n ASN 35 Ca 0.02 -2.08 0.07 0.00 -0.03 0.00 0.00 54.58 52.55 1ry5 n ASN 35 Cb 0.18 -0.29 0.18 0.00 -0.61 0.00 0.00 39.78 39.24 1ry5 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ry5 n MET 36 N 0.02 2.75 0.00 3.52 2.81 -0.67 -4.56 117.12 120.98 1ry5 n MET 36 Ca 0.05 -2.38 0.13 0.00 -1.81 0.00 0.00 57.70 53.69 1ry5 n MET 36 Cb 0.26 -1.51 0.70 0.00 -0.71 0.00 0.00 33.22 31.96 1ry5 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ry5 n ARG 37 N -0.22 0.51 -3.96 0.03 1.74 -1.18 -4.35 116.66 109.22 1ry5 n ARG 37 Ca 0.15 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1ry5 n ARG 37 Cb 0.63 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 1ry5 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ry5 s GLU 38 N -2.40 0.18 0.00 5.56 0.41 -1.26 -4.14 118.70 117.05 1ry5 s GLU 38 Ca 0.29 -0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1ry5 s GLU 38 Cb 0.18 -0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.43 1ry5 s GLU 38 CO 0.37 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 1ry5 n GLY 39 N 2.71 2.62 3.68 -1.39 0.00 -1.26 -5.02 105.19 106.53 1ry5 n GLY 39 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1ry5 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ry5 s TYR 40 N -2.85 2.84 0.68 1.61 1.51 -1.26 -4.34 117.35 115.55 1ry5 s TYR 40 Ca 0.00 -0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 55.74 1ry5 s TYR 40 Cb 0.00 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1ry5 s TYR 40 CO 0.00 0.55 1.19 -2.14 -1.11 0.00 0.00 175.55 174.04 1ry5 s PRO 41 N -3.30 2.48 0.63 -1.71 0.02 -1.26 -4.80 135.00 127.06 1ry5 s PRO 41 Ca 0.29 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.85 1ry5 s PRO 41 Cb -0.08 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1ry5 s PRO 41 CO 0.20 -1.56 1.17 -0.51 -0.33 0.00 0.00 177.00 175.97 1ry5 s LEU 42 N -4.82 3.54 0.26 -5.54 1.43 -1.26 -4.91 118.68 107.38 1ry5 s LEU 42 Ca 0.74 2.26 0.06 0.00 -1.03 0.00 0.00 54.13 56.16 1ry5 s LEU 42 Cb -0.28 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.30 1ry5 s LEU 42 CO 0.41 -1.68 -0.06 -1.61 0.23 0.00 0.00 176.35 173.64 1ry5 s GLU 43 N -3.61 1.48 0.71 1.70 2.02 -1.26 -1.28 118.70 118.45 1ry5 s GLU 43 Ca 0.74 -1.74 -0.08 0.00 0.02 0.00 0.00 54.97 53.91 1ry5 s GLU 43 Cb -0.27 -1.04 0.06 0.00 0.10 0.00 0.00 34.13 32.97 1ry5 s GLU 43 CO 0.36 0.03 1.03 -0.80 0.02 0.00 0.00 175.26 175.90 1ry5 s ASN 44 N -3.40 4.89 0.47 -0.19 0.01 0.10 -4.61 114.94 112.21 1ry5 s ASN 44 Ca 0.28 0.56 0.31 0.00 -0.71 0.00 0.00 52.86 53.31 1ry5 s ASN 44 Cb 0.04 -1.24 1.68 0.00 0.41 0.00 0.00 41.25 42.14 1ry5 s ASN 44 CO 0.10 -1.57 1.96 -0.33 -1.51 0.00 0.00 177.10 175.76 1ry5 h GLU 45 N -0.62 0.00 -0.12 -0.60 5.08 -2.00 -0.35 114.58 115.96 1ry5 h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ry5 h GLU 45 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ry5 h GLU 45 CO 0.61 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 1ry5 n ASP 46 N -2.62 1.83 0.00 1.42 3.85 -1.26 -4.93 116.55 114.84 1ry5 n ASP 46 Ca -0.02 -1.68 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1ry5 n ASP 46 Cb 0.07 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1ry5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ry5 n GLY 47 N 1.19 1.08 3.88 6.12 0.00 -0.14 -5.06 105.19 112.26 1ry5 n GLY 47 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ry5 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ry5 s THR 48 N -2.43 4.80 0.27 2.61 -4.23 -1.26 -4.75 115.64 110.65 1ry5 s THR 48 Ca 0.00 0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.76 1ry5 s THR 48 Cb 0.00 -3.83 -0.12 0.00 1.34 0.00 0.00 72.50 69.89 1ry5 s THR 48 CO 0.00 -0.86 1.53 -2.65 -0.54 0.00 0.00 174.62 172.10 1ry5 n PRO 49 N -2.17 2.45 -2.45 3.99 -0.02 -1.26 0.02 135.00 135.56 1ry5 n PRO 49 Ca 0.03 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 62.05 1ry5 n PRO 49 Cb 0.54 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1ry5 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ry5 s ALA 50 N 0.05 2.89 0.04 3.55 0.00 -0.40 -4.58 121.76 123.31 1ry5 s ALA 50 Ca 0.66 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 1ry5 s ALA 50 Cb -0.56 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.20 1ry5 s ALA 50 CO 0.48 -0.35 1.43 0.00 0.00 0.00 0.00 175.76 177.32 1ry5 h ALA 51 N 1.26 0.13 -2.48 0.00 0.00 -1.93 -3.41 119.26 112.82 1ry5 h ALA 51 Ca -0.48 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 1ry5 h ALA 51 Cb 1.21 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1ry5 h ALA 51 CO 0.59 -0.16 -0.17 1.21 0.00 0.00 0.00 179.25 180.73 1ry5 s ASN 52 N -5.73 6.24 0.00 0.00 2.47 -1.26 -4.90 114.94 111.76 1ry5 s ASN 52 Ca -0.15 -0.23 0.22 0.00 0.42 0.00 0.00 52.86 53.12 1ry5 s ASN 52 Cb 0.05 -2.23 -0.12 0.00 -1.45 0.00 0.00 41.25 37.49 1ry5 s ASN 52 CO 0.70 -0.45 0.98 0.00 -3.72 0.00 0.00 177.10 174.62 1ry5 n GLN 53 N 5.59 0.40 0.00 0.43 1.13 -1.26 -4.92 117.38 118.75 1ry5 n GLN 53 Ca -0.07 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.66 1ry5 n GLN 53 Cb 0.49 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1ry5 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ry5 n GLY 54 N 1.47 0.66 0.12 1.08 0.00 -1.26 -4.68 105.19 102.59 1ry5 n GLY 54 Ca 0.06 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1ry5 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ry5 n PRO 55 N 1.07 0.23 -3.28 1.61 -0.04 -1.26 -4.77 135.00 128.56 1ry5 n PRO 55 Ca 0.00 0.33 -0.38 0.00 -0.04 0.00 0.00 63.50 63.41 1ry5 n PRO 55 Cb 0.00 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1ry5 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ry5 s PHE 56 N -3.22 3.53 0.41 0.54 0.08 -1.26 -5.08 117.98 112.97 1ry5 s PHE 56 Ca 0.07 0.95 -0.03 0.00 0.12 0.00 0.00 56.93 58.04 1ry5 s PHE 56 Cb 0.11 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1ry5 s PHE 56 CO 0.48 0.17 0.67 -1.25 -0.10 0.00 0.00 175.22 175.19 1ry5 s PRO 57 N 0.60 3.54 0.36 0.24 0.04 -1.26 -5.05 135.00 133.47 1ry5 s PRO 57 Ca 0.28 -0.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 1ry5 s PRO 57 Cb -0.16 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.78 1ry5 s PRO 57 CO 0.12 -0.02 1.27 -0.51 0.04 0.00 0.00 177.00 177.90 1ry5 s LEU 58 N -4.41 4.35 0.77 -3.56 1.43 -1.26 -4.82 118.68 111.18 1ry5 s LEU 58 Ca 0.44 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1ry5 s LEU 58 Cb -0.10 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.41 1ry5 s LEU 58 CO 0.39 -0.61 1.09 -2.16 0.23 0.00 0.00 176.35 175.30 1ry5 s PRO 59 N -1.95 2.29 0.43 1.29 0.04 -1.26 -5.00 135.00 130.83 1ry5 s PRO 59 Ca 0.52 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 1ry5 s PRO 59 Cb -0.38 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1ry5 s PRO 59 CO 0.49 -1.47 1.27 0.21 0.04 0.00 0.00 177.00 177.54 1ry5 s LYS 60 N -5.18 3.87 0.52 4.56 2.20 -1.26 -4.60 119.74 119.84 1ry5 s LYS 60 Ca 0.60 2.07 -0.22 0.00 -0.36 0.00 0.00 55.97 58.05 1ry5 s LYS 60 Cb -0.14 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1ry5 s LYS 60 CO 0.54 -0.54 1.30 -2.30 -0.36 0.00 0.00 175.35 173.98 1ry5 n PRO 61 N -0.08 1.69 -4.30 4.03 -0.02 -1.26 -4.71 135.00 130.35 1ry5 n PRO 61 Ca 0.05 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1ry5 n PRO 61 Cb 0.45 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.32 1ry5 n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ry5 s LYS 62 N -2.69 1.18 -0.11 -0.52 -2.85 -0.40 -4.95 119.74 109.41 1ry5 s LYS 62 Ca 0.69 -1.27 0.03 0.00 -1.00 0.00 0.00 55.97 54.41 1ry5 s LYS 62 Cb -0.44 -1.33 0.01 0.00 -2.06 0.00 0.00 37.83 34.01 1ry5 s LYS 62 CO 0.51 0.29 -0.19 0.99 0.10 0.00 0.00 175.35 177.06 1ry5 s THR 63 N -1.62 1.73 -0.15 3.79 2.01 -1.26 -2.02 115.64 118.13 1ry5 s THR 63 Ca 0.11 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 1ry5 s THR 63 Cb -0.08 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1ry5 s THR 63 CO 0.05 0.49 0.27 -0.36 -0.69 0.00 0.00 174.62 174.38 1ry5 s PHE 64 N 0.73 3.49 -0.35 4.92 0.08 0.32 -4.93 117.98 122.24 1ry5 s PHE 64 Ca -0.11 0.59 -0.17 0.00 0.12 0.00 0.00 56.93 57.36 1ry5 s PHE 64 Cb -0.16 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 1ry5 s PHE 64 CO 0.02 0.32 0.45 0.42 -0.10 0.00 0.00 175.22 176.33 1ry5 s ILE 65 N 0.20 5.08 0.24 0.64 1.01 -1.26 -1.65 121.20 125.46 1ry5 s ILE 65 Ca 0.16 0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 1ry5 s ILE 65 Cb -0.13 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1ry5 s ILE 65 CO 0.04 -0.18 0.79 -0.76 0.00 0.00 0.00 174.94 174.83 1ry5 s LEU 66 N 2.24 4.38 0.96 2.97 1.43 0.77 -5.00 118.68 126.42 1ry5 s LEU 66 Ca 0.16 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1ry5 s LEU 66 Cb -0.16 -3.66 0.17 0.00 0.03 0.00 0.00 46.19 42.57 1ry5 s LEU 66 CO 0.13 0.03 1.10 -2.84 0.23 0.00 0.00 176.35 175.00 1ry5 s PRO 67 N -1.88 0.75 -1.41 1.29 0.02 -1.26 -4.16 135.00 128.35 1ry5 s PRO 67 Ca 0.44 0.52 -0.10 0.00 0.02 0.00 0.00 61.00 61.87 1ry5 s PRO 67 Cb -0.18 -1.77 0.07 0.00 0.02 0.00 0.00 34.50 32.64 1ry5 s PRO 67 CO 0.22 -2.51 0.63 0.72 -0.33 0.00 0.00 177.00 175.74 1ry5 n HIS 68 N -4.02 -1.93 -1.17 6.54 8.25 -1.26 -2.03 115.22 119.60 1ry5 n HIS 68 Ca 0.06 0.59 -0.06 0.00 -0.26 0.00 0.00 57.72 58.05 1ry5 n HIS 68 Cb 0.57 -3.41 -0.02 0.00 1.12 0.00 0.00 29.99 28.25 1ry5 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ry5 n GLY 69 N -1.35 0.70 0.00 -1.41 0.00 -1.26 -4.85 105.19 97.01 1ry5 n GLY 69 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ry5 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ry5 n ARG 70 N -1.29 0.25 0.00 1.61 5.12 -0.86 -4.98 116.66 116.50 1ry5 n ARG 70 Ca -0.06 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1ry5 n ARG 70 Cb 0.38 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1ry5 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ry5 n GLY 71 N 0.05 0.82 3.27 -0.13 0.00 -1.26 -4.91 105.19 103.02 1ry5 n GLY 71 Ca 0.08 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 1ry5 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ry5 s THR 72 N 0.00 0.12 -0.03 2.61 -4.23 -1.26 -0.16 115.64 112.68 1ry5 s THR 72 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ry5 s THR 72 Cb 0.00 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1ry5 s THR 72 CO 0.00 0.00 0.06 -0.22 -0.54 0.00 0.00 174.62 173.92 1ry5 s LEU 73 N -3.29 0.58 -0.13 4.79 0.20 -0.66 -4.91 118.68 115.26 1ry5 s LEU 73 Ca 0.38 0.08 0.02 0.00 0.69 0.00 0.00 54.13 55.31 1ry5 s LEU 73 Cb 0.05 -0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.75 1ry5 s LEU 73 CO 0.18 -0.19 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.96 1ry5 s THR 74 N 1.63 2.31 0.00 3.68 2.01 -1.26 -0.52 115.64 123.50 1ry5 s THR 74 Ca -0.02 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1ry5 s THR 74 Cb -0.12 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1ry5 s THR 74 CO -0.03 0.54 0.00 0.68 -0.69 0.00 0.00 174.62 175.12 1ry5 s VAL 75 N 0.62 0.04 0.85 3.82 -7.23 -0.86 -4.03 120.40 113.62 1ry5 s VAL 75 Ca -0.11 -0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.62 1ry5 s VAL 75 Cb -0.16 -0.13 0.11 0.00 0.56 0.00 0.00 36.38 36.76 1ry5 s VAL 75 CO 0.03 -0.19 1.11 -2.84 -0.31 0.00 0.00 175.10 172.90 1ry5 s PRO 76 N -0.56 1.58 0.24 4.82 0.02 -1.26 -1.27 135.00 138.57 1ry5 s PRO 76 Ca -0.06 1.32 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 1ry5 s PRO 76 Cb -0.04 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.70 1ry5 s PRO 76 CO -0.00 -2.17 0.62 0.20 -0.33 0.00 0.00 177.00 175.32 1ry5 s GLY 77 N -3.05 -0.07 -0.19 0.52 0.00 -1.26 -4.80 107.32 98.47 1ry5 s GLY 77 Ca 0.64 -0.27 -0.38 0.00 0.00 0.00 0.00 44.72 44.71 1ry5 s GLY 77 CO 0.57 -0.18 1.75 -1.05 0.00 0.00 0.00 173.10 174.19 1ry5 n PRO 78 N -0.41 1.44 -3.63 2.90 -0.02 -1.26 -4.93 135.00 129.09 1ry5 n PRO 78 Ca -0.07 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 1ry5 n PRO 78 Cb 0.61 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1ry5 n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ry5 s GLU 79 N 3.38 3.82 -0.27 -0.52 0.41 -1.26 -5.08 118.70 119.17 1ry5 s GLU 79 Ca 0.95 0.19 -0.23 0.00 -0.41 0.00 0.00 54.97 55.48 1ry5 s GLU 79 Cb -0.96 -3.24 0.08 0.00 -1.78 0.00 0.00 34.13 28.23 1ry5 s GLU 79 CO 0.60 0.65 0.77 -1.54 -0.49 0.00 0.00 175.26 175.25 1ry5 s SER 80 N -0.81 -0.74 0.36 -0.19 1.04 -1.26 -5.05 113.70 107.05 1ry5 s SER 80 Ca 0.20 1.35 0.07 0.00 0.48 0.00 0.00 55.95 58.05 1ry5 s SER 80 Cb -0.15 1.36 0.70 0.00 0.10 0.00 0.00 66.02 68.03 1ry5 s SER 80 CO 0.09 -0.23 1.90 -0.33 0.98 0.00 0.00 173.24 175.65 1ry5 h GLU 81 N 5.37 0.39 -3.38 4.02 4.39 -2.02 -3.47 114.58 119.89 1ry5 h GLU 81 Ca -0.29 -0.08 -0.38 0.00 0.34 0.00 0.00 59.36 58.95 1ry5 h GLU 81 Cb 1.18 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1ry5 h GLU 81 CO 0.09 0.46 -0.53 -0.25 -1.16 0.00 0.00 179.01 177.62 1ry5 n ASP 82 N -4.29 -5.68 -3.56 1.42 10.43 -1.26 -4.46 116.55 109.16 1ry5 n ASP 82 Ca 0.00 -0.13 -0.11 0.00 2.57 0.00 0.00 54.79 57.13 1ry5 n ASP 82 Cb 0.25 -4.62 -0.05 0.00 1.84 0.00 0.00 41.12 38.54 1ry5 n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ry5 s ARG 83 N -5.25 0.68 0.32 -1.24 1.70 -1.26 -4.91 118.95 108.99 1ry5 s ARG 83 Ca 0.12 0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 55.19 1ry5 s ARG 83 Cb -0.05 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1ry5 s ARG 83 CO 0.15 -0.23 1.11 -2.14 -1.08 0.00 0.00 175.30 173.11 1ry5 s PRO 84 N -1.46 4.46 -0.35 3.89 0.02 -1.26 -5.02 135.00 135.28 1ry5 s PRO 84 Ca -0.02 1.77 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 1ry5 s PRO 84 Cb -0.00 -2.99 0.09 0.00 0.02 0.00 0.00 34.50 31.61 1ry5 s PRO 84 CO 0.01 0.06 0.09 0.42 -0.33 0.00 0.00 177.00 177.24 1ry5 s ILE 85 N -1.29 2.87 -1.30 2.83 -1.09 -1.26 -5.02 121.20 116.93 1ry5 s ILE 85 Ca 0.49 -1.93 -0.14 0.00 -2.23 0.00 0.00 60.65 56.84 1ry5 s ILE 85 Cb -0.30 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1ry5 s ILE 85 CO 0.39 -0.47 2.32 0.00 -1.23 0.00 0.00 174.94 175.95 1ry5 n ALA 86 N 4.50 5.46 -2.60 9.38 0.00 -1.26 -4.86 120.51 131.13 1ry5 n ALA 86 Ca -0.04 -3.50 -0.13 0.00 0.00 0.00 0.00 53.44 49.76 1ry5 n ALA 86 Cb 0.42 -3.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.29 1ry5 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ry5 s LEU 87 N 1.34 2.35 0.02 0.00 1.43 -1.26 -1.44 118.68 121.12 1ry5 s LEU 87 Ca 0.53 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1ry5 s LEU 87 Cb 0.15 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 1ry5 s LEU 87 CO -0.04 -0.27 -0.04 0.00 0.23 0.00 0.00 176.35 176.24 1ry5 s ALA 88 N -2.15 0.23 0.56 4.21 0.00 -0.25 -4.85 121.76 119.49 1ry5 s ALA 88 Ca -0.01 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1ry5 s ALA 88 Cb -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1ry5 s ALA 88 CO -0.01 -0.07 1.36 -2.13 0.00 0.00 0.00 175.76 174.92 1ry5 n ARG 89 N 2.01 1.67 0.00 0.00 0.63 -1.26 -1.14 116.66 118.56 1ry5 n ARG 89 Ca -0.20 0.61 0.04 0.00 -0.92 0.00 0.00 57.85 57.39 1ry5 n ARG 89 Cb 0.56 -2.58 0.01 0.00 0.45 0.00 0.00 32.46 30.90 1ry5 n ARG 89 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ry5 n THR 90 N -1.10 0.00 -4.19 5.15 -2.24 -1.21 -4.78 114.28 105.92 1ry5 n THR 90 Ca 0.11 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1ry5 n THR 90 Cb 0.45 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1ry5 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ry5 s ALA 91 N -1.13 1.07 -2.20 6.98 0.00 -1.26 -5.05 121.76 120.17 1ry5 s ALA 91 Ca 0.08 -1.57 0.28 0.00 0.00 0.00 0.00 51.96 50.75 1ry5 s ALA 91 Cb 0.07 0.94 0.99 0.00 0.00 0.00 0.00 23.12 25.12 1ry5 s ALA 91 CO 0.19 -0.48 1.71 1.33 0.00 0.00 0.00 175.76 178.51 1ry5 n VAL 92 N -0.18 0.00 -4.29 0.00 0.24 -1.26 -4.89 118.33 107.94 1ry5 n VAL 92 Ca -0.04 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 61.91 1ry5 n VAL 92 Cb 0.64 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 33.32 1ry5 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ry5 s SER 93 N -2.19 1.70 0.76 -1.34 1.04 -1.26 -5.15 113.70 107.26 1ry5 s SER 93 Ca 0.33 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.50 1ry5 s SER 93 Cb 0.20 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1ry5 s SER 93 CO 0.40 -0.48 1.09 -1.61 0.98 0.00 0.00 173.24 173.62 1ry5 s GLU 94 N -3.85 2.36 0.00 4.02 2.02 -1.26 -4.28 118.70 117.71 1ry5 s GLU 94 Ca 0.25 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1ry5 s GLU 94 Cb 0.05 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1ry5 s GLU 94 CO 0.06 -1.56 0.00 0.41 0.02 0.00 0.00 175.26 174.18 1ry5 n GLY 95 N -1.26 0.37 3.91 -1.39 0.00 -1.26 -5.08 105.19 100.48 1ry5 n GLY 95 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1ry5 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ry5 s PHE 96 N -2.05 3.00 0.83 1.61 0.08 -1.26 -5.10 117.98 115.09 1ry5 s PHE 96 Ca 0.00 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 56.69 1ry5 s PHE 96 Cb 0.00 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1ry5 s PHE 96 CO 0.00 0.12 1.11 -2.14 -0.10 0.00 0.00 175.22 174.21 1ry5 s PRO 97 N -4.06 1.72 -0.19 0.24 0.02 -1.26 -4.89 135.00 126.57 1ry5 s PRO 97 Ca 0.42 1.33 0.01 0.00 0.02 0.00 0.00 61.00 62.78 1ry5 s PRO 97 Cb -0.07 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.64 1ry5 s PRO 97 CO 0.28 -2.07 -0.17 -1.01 -0.33 0.00 0.00 177.00 173.70 1ry5 s HIS 98 N -2.80 2.85 0.21 6.54 3.76 -1.26 -3.30 115.29 121.29 1ry5 s HIS 98 Ca 0.64 -1.64 -0.30 0.00 -0.15 0.00 0.00 55.06 53.60 1ry5 s HIS 98 Cb -0.20 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.47 1ry5 s HIS 98 CO 0.57 -0.79 0.95 0.00 -0.85 0.00 0.00 174.74 174.62 1ry5 s ALA 99 N 1.29 3.32 0.27 -1.40 0.00 -0.29 -4.68 121.76 120.27 1ry5 s ALA 99 Ca 0.04 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1ry5 s ALA 99 Cb -0.14 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1ry5 s ALA 99 CO -0.11 0.13 1.60 -2.14 0.00 0.00 0.00 175.76 175.24 1ry5 s PRO 100 N -0.87 4.14 0.26 0.00 0.02 -1.26 -1.09 135.00 136.20 1ry5 s PRO 100 Ca 0.43 2.55 0.24 0.00 0.02 0.00 0.00 61.00 64.24 1ry5 s PRO 100 Cb -0.25 -3.05 0.46 0.00 0.02 0.00 0.00 34.50 31.68 1ry5 s PRO 100 CO 0.32 -0.63 1.54 1.79 -0.33 0.00 0.00 177.00 179.69 1ry5 h THR 101 N 3.50 0.00 -0.01 0.99 1.35 -1.58 -3.47 112.91 113.70 1ry5 h THR 101 Ca -0.46 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1ry5 h THR 101 Cb 1.22 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1ry5 h THR 101 CO 0.82 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1ry5 n GLY 102 N 1.23 5.61 3.59 5.82 0.00 -1.26 -5.08 105.19 115.10 1ry5 n GLY 102 Ca 0.04 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1ry5 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ry5 s ASP 103 N 1.00 6.61 0.42 1.61 -1.08 -1.26 -4.93 116.67 119.04 1ry5 s ASP 103 Ca 0.00 0.41 0.10 0.00 -0.52 0.00 0.00 52.55 52.54 1ry5 s ASP 103 Cb 0.00 -2.45 0.93 0.00 -1.46 0.00 0.00 42.92 39.94 1ry5 s ASP 103 CO 0.00 -0.89 2.03 1.55 0.52 0.00 0.00 175.17 178.38 1ry5 h PRO 104 N 8.65 0.48 0.01 4.34 0.13 -1.93 0.14 132.00 143.81 1ry5 h PRO 104 Ca -0.24 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ry5 h PRO 104 Cb 1.08 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ry5 h PRO 104 CO 0.98 0.31 -0.00 0.52 -0.23 0.00 0.00 178.00 179.58 1ry5 h MET 105 N 0.49 -0.01 -0.23 0.86 2.86 -1.92 -0.02 114.93 116.97 1ry5 h MET 105 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1ry5 h MET 105 Cb 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1ry5 h MET 105 CO -0.05 0.20 -0.41 0.87 1.06 0.00 0.00 176.91 178.58 1ry5 h LYS 106 N -0.22 0.55 0.00 1.72 1.57 -1.87 -3.09 116.57 115.24 1ry5 h LYS 106 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ry5 h LYS 106 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ry5 h LYS 106 CO 0.00 0.87 -0.11 -0.25 -0.57 0.00 0.00 179.45 179.39 1ry5 n ASP 107 N -4.02 0.25 -2.59 0.86 8.00 0.45 -4.97 116.55 114.53 1ry5 n ASP 107 Ca -0.02 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.75 1ry5 n ASP 107 Cb 0.52 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1ry5 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ry5 n GLY 108 N 1.46 -0.17 3.49 0.44 0.00 -0.06 -4.75 105.19 105.59 1ry5 n GLY 108 Ca 0.06 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1ry5 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ry5 s VAL 109 N -3.24 1.25 0.00 1.61 -7.23 -0.93 -3.97 120.40 107.89 1ry5 s VAL 109 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1ry5 s VAL 109 Cb -0.01 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1ry5 s VAL 109 CO 0.47 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 1ry5 n GLY 110 N -0.76 2.17 0.00 2.32 0.00 -1.26 -1.58 105.19 106.07 1ry5 n GLY 110 Ca -0.03 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1ry5 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ry5 n PRO 111 N 10.19 0.27 -0.58 1.61 -0.04 -1.26 -1.76 135.00 143.44 1ry5 n PRO 111 Ca 0.00 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1ry5 n PRO 111 Cb 0.00 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.29 1ry5 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ry5 n ALA 112 N -1.23 3.07 -1.74 0.55 0.00 -0.62 -3.20 120.51 117.35 1ry5 n ALA 112 Ca 0.08 -1.45 -0.35 0.00 0.00 0.00 0.00 53.44 51.72 1ry5 n ALA 112 Cb 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1ry5 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ry5 s SER 113 N -0.85 5.38 0.05 0.00 0.01 -0.72 -3.89 113.70 113.67 1ry5 s SER 113 Ca 0.47 2.28 0.01 0.00 1.31 0.00 0.00 55.95 60.02 1ry5 s SER 113 Cb 0.30 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1ry5 s SER 113 CO 0.23 -1.46 -0.06 -1.66 0.41 0.00 0.00 173.24 170.70 1ry5 s TRP 114 N -1.72 0.62 0.05 2.43 1.48 -1.26 -4.34 118.94 116.20 1ry5 s TRP 114 Ca 0.75 -0.71 0.01 0.00 -1.06 0.00 0.00 56.10 55.10 1ry5 s TRP 114 Cb -0.27 -0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 31.61 1ry5 s TRP 114 CO 0.31 -0.17 0.09 0.08 -4.06 0.00 0.00 176.95 173.21 1ry5 s VAL 115 N -2.39 4.70 -1.35 -0.66 1.01 -1.26 -5.01 120.40 115.43 1ry5 s VAL 115 Ca -0.03 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 1ry5 s VAL 115 Cb -0.03 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1ry5 s VAL 115 CO -0.03 0.21 2.15 0.00 0.00 0.00 0.00 175.10 177.43 1ry5 n ALA 116 N 0.72 5.04 -1.63 5.51 0.00 -1.26 -4.85 120.51 124.04 1ry5 n ALA 116 Ca -0.10 -3.79 -0.29 0.00 0.00 0.00 0.00 53.44 49.26 1ry5 n ALA 116 Cb 0.52 -3.56 0.13 0.00 0.00 0.00 0.00 19.45 16.54 1ry5 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ry5 s ARG 117 N 3.57 1.28 0.26 0.00 0.52 -1.26 -4.95 118.95 118.37 1ry5 s ARG 117 Ca 0.49 0.21 -0.31 0.00 -0.52 0.00 0.00 55.73 55.61 1ry5 s ARG 117 Cb 0.13 -1.86 -0.12 0.00 0.52 0.00 0.00 34.95 33.62 1ry5 s ARG 117 CO -0.05 -2.08 1.65 0.50 0.02 0.00 0.00 175.30 175.34 1ry5 s ARG 118 N -5.38 4.11 -0.75 3.54 3.52 -1.26 -4.27 118.95 118.46 1ry5 s ARG 118 Ca 0.64 2.61 -0.07 0.00 -0.13 0.00 0.00 55.73 58.77 1ry5 s ARG 118 Cb -0.13 -3.04 -0.12 0.00 -1.56 0.00 0.00 34.95 30.10 1ry5 s ARG 118 CO 0.52 -0.69 3.16 -3.47 -0.81 0.00 0.00 175.30 174.01 1ry5 n ASP 119 N 2.86 6.90 -4.04 -2.12 2.03 -1.26 -2.59 116.55 118.33 1ry5 n ASP 119 Ca 0.11 -2.68 -0.08 0.00 0.52 0.00 0.00 54.79 52.66 1ry5 n ASP 119 Cb 0.36 -1.43 -0.11 0.00 -0.72 0.00 0.00 41.12 39.22 1ry5 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ry5 s LEU 120 N -0.47 2.36 0.50 -2.67 1.43 -1.26 -4.91 118.68 113.65 1ry5 s LEU 120 Ca 0.65 -0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 1ry5 s LEU 120 Cb 0.27 0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.54 1ry5 s LEU 120 CO -0.06 -0.44 1.02 -2.84 0.23 0.00 0.00 176.35 174.26 1ry5 s PRO 121 N -2.66 3.82 0.36 1.29 0.02 -1.26 -1.17 135.00 135.40 1ry5 s PRO 121 Ca -0.04 1.24 -0.27 0.00 0.02 0.00 0.00 61.00 61.95 1ry5 s PRO 121 Cb -0.01 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 1ry5 s PRO 121 CO -0.05 -0.40 1.16 -2.00 -0.33 0.00 0.00 177.00 175.38 1ry5 s GLU 122 N -3.46 4.26 0.06 5.54 2.12 -1.26 -4.87 118.70 121.09 1ry5 s GLU 122 Ca 0.65 1.85 0.05 0.00 0.36 0.00 0.00 54.97 57.87 1ry5 s GLU 122 Cb -0.14 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1ry5 s GLU 122 CO 0.23 -0.14 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.25 1ry5 s LEU 123 N -2.13 3.28 0.00 2.70 1.02 -1.26 -1.31 118.68 120.98 1ry5 s LEU 123 Ca 0.53 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 54.41 1ry5 s LEU 123 Cb -0.31 -1.98 0.11 0.00 0.02 0.00 0.00 46.19 44.03 1ry5 s LEU 123 CO 0.40 0.22 0.69 -0.90 0.02 0.00 0.00 176.35 176.78 1ry5 n ASP 124 N 0.95 0.28 0.09 2.29 5.68 0.69 -4.73 116.55 121.82 1ry5 n ASP 124 Ca -0.13 -1.39 0.08 0.00 -0.50 0.00 0.00 54.79 52.85 1ry5 n ASP 124 Cb 0.52 -0.51 0.38 0.00 -1.14 0.00 0.00 41.12 40.37 1ry5 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ry5 n GLY 125 N 0.28 -0.86 0.73 6.12 0.00 -1.26 -1.63 105.19 108.57 1ry5 n GLY 125 Ca 0.09 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1ry5 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ry5 n HIS 126 N -1.96 0.00 -0.41 1.61 8.25 -1.26 -4.97 115.22 116.48 1ry5 n HIS 126 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ry5 n HIS 126 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1ry5 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ry5 n GLY 127 N 1.10 0.77 3.95 -1.41 0.00 -0.64 -5.07 105.19 103.89 1ry5 n GLY 127 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ry5 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ry5 s HIS 128 N -2.23 3.48 0.08 1.61 3.76 -1.26 -4.79 115.29 115.93 1ry5 s HIS 128 Ca 0.00 0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.77 1ry5 s HIS 128 Cb 0.00 -1.74 -0.10 0.00 1.11 0.00 0.00 32.58 31.85 1ry5 s HIS 128 CO 0.00 0.29 1.90 0.09 -0.85 0.00 0.00 174.74 176.16 1ry5 n ASN 129 N -1.55 4.07 -0.26 1.40 3.02 -1.26 -0.22 115.26 120.46 1ry5 n ASN 129 Ca -0.07 0.95 -0.05 0.00 -0.03 0.00 0.00 54.58 55.38 1ry5 n ASN 129 Cb 0.56 -1.53 0.05 0.00 -0.61 0.00 0.00 39.78 38.26 1ry5 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ry5 h LYS 130 N 9.41 0.97 -5.26 3.52 3.64 -1.49 -3.42 116.57 123.94 1ry5 h LYS 130 Ca -0.48 -0.09 -0.64 0.00 -1.27 0.00 0.00 60.65 58.17 1ry5 h LYS 130 Cb 1.23 -0.20 -0.22 0.00 -0.41 0.00 0.00 32.23 32.63 1ry5 h LYS 130 CO 0.94 0.69 -0.67 0.42 -2.27 0.00 0.00 179.45 178.57 1ry5 s ILE 131 N -5.96 3.86 0.00 2.00 1.01 -1.26 -0.99 121.20 119.86 1ry5 s ILE 131 Ca -0.13 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1ry5 s ILE 131 Cb 0.14 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1ry5 s ILE 131 CO 0.79 0.48 0.14 -0.54 0.00 0.00 0.00 174.94 175.81 1ry5 s LYS 132 N 0.49 0.48 0.50 2.79 1.02 -0.46 -4.63 119.74 119.93 1ry5 s LYS 132 Ca -0.03 -0.38 -0.23 0.00 0.02 0.00 0.00 55.97 55.34 1ry5 s LYS 132 Cb -0.14 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.30 1ry5 s LYS 132 CO 0.03 -0.11 1.34 -1.25 -0.92 0.00 0.00 175.35 174.43 1ry5 s PRO 133 N -1.35 3.43 0.28 -1.68 0.04 -1.26 -0.74 135.00 133.72 1ry5 s PRO 133 Ca -0.14 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1ry5 s PRO 133 Cb -0.07 -2.41 0.44 0.00 0.04 0.00 0.00 34.50 32.49 1ry5 s PRO 133 CO 0.02 -0.95 1.90 1.98 0.04 0.00 0.00 177.00 179.99 1ry5 h MET 134 N 1.85 1.11 -0.08 4.56 4.05 -0.62 -1.40 114.93 124.40 1ry5 h MET 134 Ca -0.51 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 58.87 1ry5 h MET 134 Cb 1.28 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1ry5 h MET 134 CO 0.59 0.73 0.24 1.57 0.23 0.00 0.00 176.91 180.27 1ry5 h LYS 135 N 1.14 0.00 -0.33 0.39 2.10 -1.89 0.12 116.57 118.10 1ry5 h LYS 135 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1ry5 h LYS 135 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1ry5 h LYS 135 CO -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.30 1ry5 n ALA 136 N -2.07 2.33 -3.53 0.07 0.00 -0.54 -4.81 120.51 111.97 1ry5 n ALA 136 Ca -0.01 -1.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.02 1ry5 n ALA 136 Cb 0.32 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1ry5 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ry5 s ALA 137 N -1.13 3.93 -0.35 0.00 0.00 0.42 -4.95 121.76 119.67 1ry5 s ALA 137 Ca 0.28 -3.39 -0.45 0.00 0.00 0.00 0.00 51.96 48.41 1ry5 s ALA 137 Cb 0.16 -3.09 -0.20 0.00 0.00 0.00 0.00 23.12 19.99 1ry5 s ALA 137 CO 0.22 -2.19 1.46 0.00 0.00 0.00 0.00 175.76 175.24 1ry5 n ALA 138 N 3.52 -1.97 0.00 0.00 0.00 -1.26 -1.17 120.51 119.63 1ry5 n ALA 138 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ry5 n ALA 138 Cb 0.42 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1ry5 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ry5 n GLY 139 N 3.31 3.13 3.77 0.00 0.00 -1.26 -5.04 105.19 109.09 1ry5 n GLY 139 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1ry5 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ry5 s PHE 140 N -1.97 3.50 0.14 1.61 0.40 -0.32 -5.04 117.98 116.30 1ry5 s PHE 140 Ca 0.00 1.69 -0.25 0.00 -0.60 0.00 0.00 56.93 57.78 1ry5 s PHE 140 Cb 0.00 -3.22 0.07 0.00 0.51 0.00 0.00 43.02 40.38 1ry5 s PHE 140 CO 0.00 -0.53 0.78 -3.38 0.70 0.00 0.00 175.22 172.79 1ry5 s HIS 141 N -1.32 -0.33 0.04 0.36 -3.43 -1.26 -4.94 115.29 104.41 1ry5 s HIS 141 Ca 0.48 0.07 -0.30 0.00 -0.80 0.00 0.00 55.06 54.51 1ry5 s HIS 141 Cb -0.29 0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 31.40 1ry5 s HIS 141 CO 0.36 -0.84 1.39 0.08 -2.00 0.00 0.00 174.74 173.73 1ry5 s VAL 142 N -3.51 3.61 -0.41 -5.38 1.01 -1.26 -4.90 120.40 109.55 1ry5 s VAL 142 Ca 0.06 1.06 0.13 0.00 0.00 0.00 0.00 61.98 63.24 1ry5 s VAL 142 Cb -0.02 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 1ry5 s VAL 142 CO -0.05 0.03 0.46 -1.54 0.00 0.00 0.00 175.10 174.00 1ry5 n SER 143 N 4.88 1.05 -3.56 3.32 3.41 -1.26 -5.04 113.62 116.42 1ry5 n SER 143 Ca 0.12 -0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 58.07 1ry5 n SER 143 Cb 0.43 1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 65.53 1ry5 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ry5 s ALA 144 N -2.43 -1.90 0.00 7.33 0.00 -1.26 -5.16 121.76 118.34 1ry5 s ALA 144 Ca 0.02 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1ry5 s ALA 144 Cb 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1ry5 s ALA 144 CO 0.53 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1ry5 n GLY 145 N 0.69 -0.53 3.67 0.00 0.00 -1.26 -4.87 105.19 102.89 1ry5 n GLY 145 Ca -0.12 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1ry5 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ry5 s LYS 146 N -1.58 4.23 -0.17 1.61 2.47 -1.26 -4.96 119.74 120.09 1ry5 s LYS 146 Ca 0.00 1.93 -0.29 0.00 -1.56 0.00 0.00 55.97 56.05 1ry5 s LYS 146 Cb 0.00 -3.77 -0.03 0.00 -1.46 0.00 0.00 37.83 32.57 1ry5 s LYS 146 CO 0.00 -0.70 1.49 1.21 0.16 0.00 0.00 175.35 177.51 1ry5 s ASN 147 N 2.38 6.64 0.36 1.43 3.84 -1.26 -4.88 114.94 123.44 1ry5 s ASN 147 Ca 0.64 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.72 1ry5 s ASN 147 Cb -0.29 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.77 1ry5 s ASN 147 CO 0.23 -1.02 1.77 1.55 -2.79 0.00 0.00 177.10 176.85 1ry5 h PRO 148 N 9.57 0.00 -6.40 0.43 0.13 -1.96 -3.46 132.00 130.31 1ry5 h PRO 148 Ca -0.32 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 1ry5 h PRO 148 Cb 1.14 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 1ry5 h PRO 148 CO 0.98 0.00 1.14 0.42 -0.23 0.00 0.00 178.00 180.32 1ry5 s ILE 149 N -3.32 2.96 0.00 -3.56 1.01 -1.26 -1.74 121.20 115.29 1ry5 s ILE 149 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1ry5 s ILE 149 Cb 0.09 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1ry5 s ILE 149 CO 0.55 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1ry5 n GLY 150 N 4.31 2.89 3.78 6.18 0.00 0.17 -5.01 105.19 117.52 1ry5 n GLY 150 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ry5 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ry5 s LEU 151 N 0.00 4.07 0.52 0.99 1.43 -0.71 -4.70 118.68 120.28 1ry5 s LEU 151 Ca 0.00 2.03 -0.19 0.00 -1.03 0.00 0.00 54.13 54.94 1ry5 s LEU 151 Cb 0.00 -4.27 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 1ry5 s LEU 151 CO 0.00 -0.58 1.03 -2.16 0.23 0.00 0.00 176.35 174.88 1ry5 s PRO 152 N -2.67 3.70 -0.22 1.29 0.04 -1.26 -1.18 135.00 134.70 1ry5 s PRO 152 Ca 0.60 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.85 1ry5 s PRO 152 Cb -0.21 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ry5 s PRO 152 CO 0.26 -0.50 0.00 0.08 0.04 0.00 0.00 177.00 176.88 1ry5 s VAL 153 N -2.20 3.81 -0.10 -0.36 1.01 0.10 -1.63 120.40 121.03 1ry5 s VAL 153 Ca 0.65 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1ry5 s VAL 153 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ry5 s VAL 153 CO 0.26 0.40 0.01 -0.60 0.00 0.00 0.00 175.10 175.17 1ry5 s ARG 154 N 1.39 3.13 0.65 2.72 3.52 -0.14 0.11 118.95 130.33 1ry5 s ARG 154 Ca 0.05 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 1ry5 s ARG 154 Cb -0.15 -2.85 0.10 0.00 -1.56 0.00 0.00 34.95 30.49 1ry5 s ARG 154 CO 0.00 0.64 0.89 0.20 -0.81 0.00 0.00 175.30 176.23 1ry5 s GLY 155 N -0.71 1.77 0.43 8.12 0.00 -0.57 -0.56 107.32 115.79 1ry5 s GLY 155 Ca 0.11 -1.79 0.30 0.00 0.00 0.00 0.00 44.72 43.34 1ry5 s GLY 155 CO 0.02 -1.31 1.90 0.00 0.00 0.00 0.00 173.10 173.72 1ry5 n ASP 157 N -2.60 0.95 -0.98 0.00 5.75 -1.26 -2.49 116.55 115.92 1ry5 n ASP 157 Ca -0.01 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1ry5 n ASP 157 Cb 0.14 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 1ry5 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ry5 n LEU 158 N -0.10 -0.86 -4.70 -2.12 4.77 0.43 -4.95 117.00 109.47 1ry5 n LEU 158 Ca 0.12 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 1ry5 n LEU 158 Cb 0.19 -2.08 -0.09 0.00 -2.33 0.00 0.00 43.42 39.12 1ry5 n LEU 158 CO 0.09 -0.74 -0.31 -1.61 -1.33 0.00 0.00 177.39 173.50 1ry5 s GLU 159 N -3.02 2.83 -0.02 3.23 0.41 -1.26 -4.85 118.70 116.02 1ry5 s GLU 159 Ca 0.00 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 1ry5 s GLU 159 Cb 0.00 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1ry5 s GLU 159 CO 0.00 0.63 1.23 0.42 -0.49 0.00 0.00 175.26 177.05 1ry5 s ILE 160 N -1.10 4.14 -0.60 -1.63 1.01 -1.26 -1.52 121.20 120.25 1ry5 s ILE 160 Ca 0.20 1.49 0.16 0.00 0.00 0.00 0.00 60.65 62.50 1ry5 s ILE 160 Cb -0.12 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 1ry5 s ILE 160 CO 0.11 0.02 0.61 0.00 0.00 0.00 0.00 174.94 175.68 1ry5 n ALA 161 N 4.96 3.78 0.00 9.38 0.00 0.12 -4.96 120.51 133.79 1ry5 n ALA 161 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ry5 n ALA 161 Cb 0.46 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1ry5 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ry5 n GLY 162 N 1.42 -0.56 3.10 0.00 0.00 -1.20 -4.35 105.19 103.60 1ry5 n GLY 162 Ca 0.02 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1ry5 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ry5 s LYS 163 N -0.85 0.41 -0.08 1.61 -2.85 -0.96 0.01 119.74 117.03 1ry5 s LYS 163 Ca 0.00 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.47 1ry5 s LYS 163 Cb 0.00 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1ry5 s LYS 163 CO 0.00 -0.09 1.16 0.08 0.10 0.00 0.00 175.35 176.59 1ry5 s VAL 164 N -0.95 4.38 -0.58 1.79 1.01 -0.32 -0.80 120.40 124.94 1ry5 s VAL 164 Ca -0.10 1.69 0.09 0.00 0.00 0.00 0.00 61.98 63.66 1ry5 s VAL 164 Cb -0.06 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1ry5 s VAL 164 CO 0.01 -0.01 0.46 1.33 0.00 0.00 0.00 175.10 176.89 1ry5 n VAL 165 N 4.65 0.00 -3.65 2.92 0.24 -0.02 -0.65 118.33 121.81 1ry5 n VAL 165 Ca 0.11 -0.34 0.03 0.00 -2.04 0.00 0.00 64.34 62.09 1ry5 n VAL 165 Cb 0.47 1.04 -0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1ry5 n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ry5 s ASP 166 N -1.59 -0.02 -0.07 -1.34 -1.08 -1.21 -4.93 116.67 106.43 1ry5 s ASP 166 Ca 0.05 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.05 1ry5 s ASP 166 Cb 0.07 0.08 -0.00 0.00 -1.46 0.00 0.00 42.92 41.61 1ry5 s ASP 166 CO 0.30 -0.15 -0.22 -0.63 0.52 0.00 0.00 175.17 174.99 1ry5 s ILE 167 N -2.18 1.83 -0.21 4.11 1.01 -1.26 -0.64 121.20 123.86 1ry5 s ILE 167 Ca 0.17 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1ry5 s ILE 167 Cb 0.05 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 1ry5 s ILE 167 CO -0.05 0.51 0.27 0.26 0.00 0.00 0.00 174.94 175.93 1ry5 s TRP 168 N 0.20 3.37 0.12 3.97 0.52 0.67 0.18 118.94 127.97 1ry5 s TRP 168 Ca -0.12 0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.52 1ry5 s TRP 168 Cb -0.15 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 1ry5 s TRP 168 CO 0.06 0.09 -0.12 0.14 0.02 0.00 0.00 176.95 177.14 1ry5 s VAL 169 N 0.99 3.23 -0.51 4.03 -7.23 0.08 -0.67 120.40 120.32 1ry5 s VAL 169 Ca 0.13 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 58.71 1ry5 s VAL 169 Cb -0.14 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1ry5 s VAL 169 CO 0.05 0.08 0.83 -0.62 -0.31 0.00 0.00 175.10 175.13 1ry5 s ASP 170 N -2.28 6.33 0.07 4.85 -1.08 0.07 -1.36 116.67 123.27 1ry5 s ASP 170 Ca 0.21 -0.42 -0.26 0.00 -0.52 0.00 0.00 52.55 51.56 1ry5 s ASP 170 Cb -0.11 -2.39 -0.17 0.00 -1.46 0.00 0.00 42.92 38.80 1ry5 s ASP 170 CO 0.13 -1.07 1.61 0.40 0.52 0.00 0.00 175.17 176.77 1ry5 h ILE 171 N 5.97 0.83 -0.44 4.11 5.03 -1.37 0.27 117.51 131.92 1ry5 h ILE 171 Ca -0.26 -0.17 0.06 0.00 -0.12 0.00 0.00 64.86 64.37 1ry5 h ILE 171 Cb 1.08 0.94 -0.05 0.00 -3.03 0.00 0.00 36.82 35.76 1ry5 h ILE 171 CO 1.03 0.04 0.14 -0.65 -0.68 0.00 0.00 178.15 178.03 1ry5 h PRO 172 N -0.35 0.30 -0.01 2.37 0.11 -1.93 -2.53 132.00 129.95 1ry5 h PRO 172 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ry5 h PRO 172 Cb 0.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1ry5 h PRO 172 CO 0.05 0.20 -0.21 0.39 -0.21 0.00 0.00 178.00 178.21 1ry5 n GLU 173 N -5.02 1.11 -3.62 1.05 -0.58 -1.22 -4.99 120.64 107.35 1ry5 n GLU 173 Ca 0.04 -0.70 -0.24 0.00 -0.42 0.00 0.00 57.16 55.84 1ry5 n GLU 173 Cb 0.17 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 1ry5 n GLU 173 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ry5 n GLN 174 N -0.34 -1.26 -3.84 3.49 6.02 0.93 -5.01 117.38 117.37 1ry5 n GLN 174 Ca 0.13 0.75 -0.10 0.00 -0.01 0.00 0.00 57.00 57.78 1ry5 n GLN 174 Cb 0.37 -3.68 -0.08 0.00 1.02 0.00 0.00 30.24 27.87 1ry5 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ry5 s MET 175 N -5.11 0.77 -0.00 -1.09 0.23 -1.05 -4.97 119.30 108.08 1ry5 s MET 175 Ca 0.21 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 53.81 1ry5 s MET 175 Cb -0.08 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1ry5 s MET 175 CO 0.86 -0.24 1.03 0.00 -2.03 0.00 0.00 175.02 174.65 1ry5 s ALA 176 N -3.14 3.24 -0.07 3.16 0.00 -1.26 -0.75 121.76 122.93 1ry5 s ALA 176 Ca -0.01 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1ry5 s ALA 176 Cb 0.02 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1ry5 s ALA 176 CO -0.07 -0.33 -0.05 0.54 0.00 0.00 0.00 175.76 175.86 1ry5 n ARG 177 N 4.06 0.91 -4.08 0.00 1.74 0.16 -4.83 116.66 114.63 1ry5 n ARG 177 Ca 0.07 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.10 1ry5 n ARG 177 Cb 0.50 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 1ry5 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ry5 s PHE 178 N -2.16 0.53 -0.14 -1.55 0.08 -1.01 -0.91 117.98 112.82 1ry5 s PHE 178 Ca -0.09 -0.90 -0.01 0.00 0.12 0.00 0.00 56.93 56.05 1ry5 s PHE 178 Cb 0.02 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 1ry5 s PHE 178 CO 0.20 -0.29 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.42 1ry5 s LEU 179 N -2.55 2.90 -0.21 -0.37 1.43 -0.16 -0.23 118.68 119.47 1ry5 s LEU 179 Ca 0.02 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1ry5 s LEU 179 Cb 0.03 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1ry5 s LEU 179 CO -0.07 0.17 0.53 -0.70 0.23 0.00 0.00 176.35 176.52 1ry5 s GLU 180 N 0.32 4.16 -0.13 1.70 2.12 0.19 -1.29 118.70 125.77 1ry5 s GLU 180 Ca -0.08 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1ry5 s GLU 180 Cb -0.15 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1ry5 s GLU 180 CO 0.05 -0.21 -0.14 0.08 -0.54 0.00 0.00 175.26 174.50 1ry5 s VAL 181 N 1.84 2.98 -0.14 3.70 1.01 0.11 -0.84 120.40 129.06 1ry5 s VAL 181 Ca 0.24 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1ry5 s VAL 181 Cb -0.15 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1ry5 s VAL 181 CO 0.09 0.52 0.47 -0.70 0.00 0.00 0.00 175.10 175.48 1ry5 s GLU 182 N 0.41 4.30 0.60 2.72 2.12 0.02 0.01 118.70 128.89 1ry5 s GLU 182 Ca -0.11 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.63 1ry5 s GLU 182 Cb -0.16 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.82 1ry5 s GLU 182 CO 0.05 0.10 0.85 -0.51 -0.54 0.00 0.00 175.26 175.22 1ry5 s LEU 183 N 0.81 3.15 0.48 2.70 1.43 0.10 -2.27 118.68 125.08 1ry5 s LEU 183 Ca 0.25 -0.01 0.21 0.00 -1.03 0.00 0.00 54.13 53.54 1ry5 s LEU 183 Cb -0.15 -2.74 1.23 0.00 0.03 0.00 0.00 46.19 44.56 1ry5 s LEU 183 CO 0.10 -1.34 1.95 0.11 0.23 0.00 0.00 176.35 177.39 1ry5 h LYS 184 N -0.14 0.21 0.00 1.70 6.56 -1.87 0.58 116.57 123.62 1ry5 h LYS 184 Ca -0.41 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1ry5 h LYS 184 Cb 1.29 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1ry5 h LYS 184 CO 0.51 0.14 0.00 -0.40 -2.06 0.00 0.00 179.45 177.64 1ry5 n ASP 185 N -4.42 0.00 0.00 0.86 5.75 -1.26 -4.89 116.55 112.59 1ry5 n ASP 185 Ca 0.13 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 1ry5 n ASP 185 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1ry5 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ry5 n GLY 186 N 0.93 2.59 3.90 6.12 0.00 0.20 -5.05 105.19 113.87 1ry5 n GLY 186 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1ry5 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ry5 s SER 187 N -1.47 5.07 0.35 1.61 1.04 -1.26 -4.72 113.70 114.33 1ry5 s SER 187 Ca 0.00 0.90 0.07 0.00 0.48 0.00 0.00 55.95 57.40 1ry5 s SER 187 Cb 0.00 -1.60 -0.07 0.00 0.10 0.00 0.00 66.02 64.45 1ry5 s SER 187 CO 0.00 -1.54 -0.02 0.42 0.98 0.00 0.00 173.24 173.08 1ry5 s THR 188 N -3.39 1.87 0.04 2.02 -4.23 -1.26 0.01 115.64 110.71 1ry5 s THR 188 Ca 0.59 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1ry5 s THR 188 Cb -0.11 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1ry5 s THR 188 CO 0.49 -0.11 0.05 -0.13 -0.54 0.00 0.00 174.62 174.39 1ry5 s ARG 189 N -3.71 0.57 -0.10 3.99 1.81 0.10 -4.90 118.95 116.71 1ry5 s ARG 189 Ca 0.34 -0.86 -0.06 0.00 -1.72 0.00 0.00 55.73 53.43 1ry5 s ARG 189 Cb 0.07 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.74 1ry5 s ARG 189 CO 0.16 -0.13 0.13 -0.51 -0.68 0.00 0.00 175.30 174.27 1ry5 s LEU 190 N -2.27 4.30 -0.08 2.53 1.43 -1.26 0.06 118.68 123.38 1ry5 s LEU 190 Ca -0.03 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1ry5 s LEU 190 Cb 0.00 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1ry5 s LEU 190 CO -0.06 0.38 -0.14 -0.76 0.23 0.00 0.00 176.35 176.00 1ry5 s LEU 191 N -1.16 1.71 0.30 1.79 1.43 -0.41 -4.95 118.68 117.39 1ry5 s LEU 191 Ca 0.17 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 1ry5 s LEU 191 Cb -0.12 -0.97 -0.12 0.00 0.03 0.00 0.00 46.19 45.02 1ry5 s LEU 191 CO 0.06 0.04 1.59 -2.65 0.23 0.00 0.00 176.35 175.62 1ry5 n PRO 192 N 3.89 2.71 -0.23 1.29 -0.02 -1.26 -0.99 135.00 140.39 1ry5 n PRO 192 Ca -0.21 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.27 1ry5 n PRO 192 Cb 0.52 -2.74 0.29 0.00 -0.02 0.00 0.00 33.50 31.55 1ry5 n PRO 192 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1ry5 h MET 193 N 4.62 0.87 0.00 -0.52 2.86 -1.35 -1.00 114.93 120.41 1ry5 h MET 193 Ca -0.47 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1ry5 h MET 193 Cb 1.23 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1ry5 h MET 193 CO 0.78 0.58 0.00 1.04 1.06 0.00 0.00 176.91 180.37 1ry5 n GLN 194 N -4.47 0.00 -0.24 1.72 3.00 -1.26 -2.34 117.38 113.79 1ry5 n GLN 194 Ca 0.11 0.37 0.06 0.00 -0.01 0.00 0.00 57.00 57.53 1ry5 n GLN 194 Cb 0.17 -1.51 0.17 0.00 0.00 0.00 0.00 30.24 29.07 1ry5 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1ry5 n MET 195 N -1.51 2.82 -4.29 -1.09 2.81 -0.38 -5.00 117.12 110.48 1ry5 n MET 195 Ca 0.02 -2.28 -0.19 0.00 -1.81 0.00 0.00 57.70 53.44 1ry5 n MET 195 Cb 0.09 -1.44 -0.11 0.00 -0.71 0.00 0.00 33.22 31.05 1ry5 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ry5 s VAL 196 N -1.68 1.57 -0.26 2.03 -7.23 -0.99 -4.48 120.40 109.36 1ry5 s VAL 196 Ca 0.27 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1ry5 s VAL 196 Cb 0.19 -1.73 0.06 0.00 0.56 0.00 0.00 36.38 35.46 1ry5 s VAL 196 CO 0.11 -0.41 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.64 1ry5 s LYS 197 N -2.87 2.27 -0.35 4.82 2.47 0.09 -4.96 119.74 121.21 1ry5 s LYS 197 Ca 0.13 -1.33 -0.28 0.00 -1.56 0.00 0.00 55.97 52.94 1ry5 s LYS 197 Cb -0.04 -2.90 0.02 0.00 -1.46 0.00 0.00 37.83 33.44 1ry5 s LYS 197 CO 0.05 -0.56 1.01 0.08 0.16 0.00 0.00 175.35 176.09 1ry5 s VAL 198 N 1.11 4.52 0.48 4.02 1.01 -1.26 -0.41 120.40 129.87 1ry5 s VAL 198 Ca -0.08 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1ry5 s VAL 198 Cb -0.20 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1ry5 s VAL 198 CO -0.05 -0.55 0.30 -1.10 0.00 0.00 0.00 175.10 173.70 1ry5 s GLN 199 N 3.65 2.29 0.22 2.72 -0.21 0.21 -5.00 119.66 123.53 1ry5 s GLN 199 Ca 0.42 -1.90 -0.09 0.00 0.02 0.00 0.00 55.36 53.81 1ry5 s GLN 199 Cb -0.12 -2.07 0.20 0.00 1.00 0.00 0.00 33.01 32.02 1ry5 s GLN 199 CO 0.18 -0.36 1.87 0.66 -2.12 0.00 0.00 175.29 175.53 1ry5 h SER 200 N 1.06 0.85 -0.26 5.90 4.64 -2.01 -3.17 113.55 120.56 1ry5 h SER 200 Ca -0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ry5 h SER 200 Cb 1.28 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ry5 h SER 200 CO 0.63 0.60 0.00 -0.46 -0.87 0.00 0.00 176.83 176.72 1ry5 n ASN 201 N -4.58 2.68 -3.73 4.97 6.94 -1.26 -5.06 115.26 115.22 1ry5 n ASN 201 Ca 0.09 -1.87 0.03 0.00 -0.02 0.00 0.00 54.58 52.81 1ry5 n ASN 201 Cb 0.06 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1ry5 n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ry5 s ARG 202 N -0.98 0.21 -0.17 -3.83 3.03 -1.20 -4.48 118.95 111.52 1ry5 s ARG 202 Ca 0.21 -0.13 -0.00 0.00 2.03 0.00 0.00 55.73 57.84 1ry5 s ARG 202 Cb 0.11 0.06 0.00 0.00 -1.03 0.00 0.00 34.95 34.10 1ry5 s ARG 202 CO 0.15 -0.10 -0.15 0.08 -1.13 0.00 0.00 175.30 174.16 1ry5 s VAL 203 N -2.12 2.60 -0.13 4.99 1.01 -0.65 0.64 120.40 126.74 1ry5 s VAL 203 Ca 0.22 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ry5 s VAL 203 Cb 0.04 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1ry5 s VAL 203 CO -0.04 0.51 0.04 -2.28 0.00 0.00 0.00 175.10 173.33 1ry5 s HIS 204 N 1.09 3.25 -0.33 5.22 2.46 0.46 -0.97 115.29 126.48 1ry5 s HIS 204 Ca -0.00 0.17 0.03 0.00 0.47 0.00 0.00 55.06 55.73 1ry5 s HIS 204 Cb -0.14 -1.92 0.10 0.00 -0.13 0.00 0.00 32.58 30.48 1ry5 s HIS 204 CO -0.05 0.37 0.04 0.08 -2.47 0.00 0.00 174.74 172.71 1ry5 s VAL 205 N -0.39 2.15 0.28 0.89 1.01 0.27 -0.73 120.40 123.88 1ry5 s VAL 205 Ca 0.09 -2.20 0.02 0.00 0.00 0.00 0.00 61.98 59.88 1ry5 s VAL 205 Cb -0.12 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1ry5 s VAL 205 CO 0.02 -0.56 1.73 -1.13 0.00 0.00 0.00 175.10 175.17 1ry5 h ASN 206 N 7.66 0.52 0.12 3.32 -0.00 -1.85 -2.33 115.58 123.03 1ry5 h ASN 206 Ca -0.06 -0.16 -0.04 0.00 -0.00 0.00 0.00 56.30 56.04 1ry5 h ASN 206 Cb 1.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 39.19 1ry5 h ASN 206 CO 0.51 0.74 -0.15 0.00 -0.00 0.00 0.00 177.43 178.52 1ry5 h ALA 207 N 1.31 1.66 -3.84 1.57 0.00 -1.88 -3.39 119.26 114.69 1ry5 h ALA 207 Ca 0.08 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 1ry5 h ALA 207 Cb 0.62 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.12 1ry5 h ALA 207 CO 0.04 0.26 -0.82 -0.51 0.00 0.00 0.00 179.25 178.22 1ry5 s LEU 208 N -8.71 2.20 0.35 0.00 1.43 -1.23 -3.45 118.68 109.27 1ry5 s LEU 208 Ca -0.04 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1ry5 s LEU 208 Cb 0.16 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1ry5 s LEU 208 CO 0.71 0.08 0.64 -0.94 0.23 0.00 0.00 176.35 177.07 1ry5 s SER 209 N -1.31 6.43 0.31 2.29 1.04 -1.26 -0.32 113.70 120.88 1ry5 s SER 209 Ca 0.04 0.83 0.07 0.00 0.48 0.00 0.00 55.95 57.38 1ry5 s SER 209 Cb -0.09 -2.20 0.85 0.00 0.10 0.00 0.00 66.02 64.69 1ry5 s SER 209 CO 0.02 -0.31 1.66 0.77 0.98 0.00 0.00 173.24 176.37 1ry5 h SER 210 N 1.31 0.26 0.39 7.02 4.64 -1.87 -0.18 113.55 125.12 1ry5 h SER 210 Ca -0.48 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ry5 h SER 210 Cb 1.19 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1ry5 h SER 210 CO 0.65 -0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 1ry5 n ASP 211 N -5.12 0.00 -0.30 4.97 3.85 -1.26 -2.86 116.55 115.83 1ry5 n ASP 211 Ca 0.25 0.40 0.11 0.00 -0.71 0.00 0.00 54.79 54.84 1ry5 n ASP 211 Cb 0.79 -0.45 0.04 0.00 -1.35 0.00 0.00 41.12 40.15 1ry5 n ASP 211 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ry5 n LEU 212 N -1.45 1.51 -0.19 -2.12 4.77 -0.08 -4.41 117.00 115.03 1ry5 n LEU 212 Ca 0.04 -0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 55.41 1ry5 n LEU 212 Cb 0.14 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1ry5 n LEU 212 CO 0.11 0.30 0.96 -0.26 -1.33 0.00 0.00 177.39 177.18 1ry5 h PHE 213 N 1.45 1.02 0.00 -1.77 -1.00 -1.63 -2.30 116.94 112.72 1ry5 h PHE 213 Ca 0.00 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 1ry5 h PHE 213 Cb 0.64 -0.29 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1ry5 h PHE 213 CO 0.00 0.84 -0.01 0.00 -1.61 0.00 0.00 178.31 177.54 1ry5 h ALA 214 N 1.22 1.96 0.00 2.45 0.00 -1.81 -1.90 119.26 121.19 1ry5 h ALA 214 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ry5 h ALA 214 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ry5 h ALA 214 CO -0.00 0.01 0.00 0.78 0.00 0.00 0.00 179.25 180.04 1ry5 h GLY 215 N 0.02 0.00 -4.79 0.00 0.00 -1.68 -3.45 103.07 93.16 1ry5 h GLY 215 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1ry5 h GLY 215 CO 0.00 0.00 0.65 1.39 0.00 0.00 0.00 176.54 178.58 1ry5 n ILE 216 N -2.73 0.62 -1.72 2.60 5.41 -0.72 -4.87 119.36 117.95 1ry5 n ILE 216 Ca 0.03 -0.16 -0.42 0.00 1.00 0.00 0.00 62.75 63.20 1ry5 n ILE 216 Cb 0.38 -1.44 -0.01 0.00 -0.71 0.00 0.00 39.64 37.86 1ry5 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ry5 n PRO 217 N 2.45 2.33 -3.57 0.38 -0.02 -1.26 -5.00 135.00 130.30 1ry5 n PRO 217 Ca 0.14 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 1ry5 n PRO 217 Cb 0.30 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 1ry5 n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ry5 s THR 218 N -0.92 5.16 0.09 3.45 -4.23 -1.26 -4.74 115.64 113.19 1ry5 s THR 218 Ca 0.57 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.46 1ry5 s THR 218 Cb -0.54 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.40 1ry5 s THR 218 CO 0.60 -0.45 0.30 0.27 -0.54 0.00 0.00 174.62 174.80 1ry5 s ILE 219 N -2.17 5.27 0.03 2.99 -4.36 -1.26 -5.03 121.20 116.67 1ry5 s ILE 219 Ca 0.38 -0.10 -0.25 0.00 -0.26 0.00 0.00 60.65 60.43 1ry5 s ILE 219 Cb -0.10 -3.62 -0.18 0.00 1.25 0.00 0.00 42.46 39.82 1ry5 s ILE 219 CO 0.33 0.13 1.48 0.11 0.24 0.00 0.00 174.94 177.23 1ry5 h LYS 220 N 3.10 -0.08 -5.43 0.37 1.57 -1.99 -3.43 116.57 110.67 1ry5 h LYS 220 Ca -0.46 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 1ry5 h LYS 220 Cb 1.17 0.02 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1ry5 h LYS 220 CO 0.73 0.16 -0.64 0.45 -0.57 0.00 0.00 179.45 179.59 1ry5 s SER 221 N -5.35 5.05 0.36 0.86 0.15 -1.26 -5.01 113.70 108.51 1ry5 s SER 221 Ca -0.15 -0.03 0.26 0.00 0.70 0.00 0.00 55.95 56.74 1ry5 s SER 221 Cb 0.04 -1.75 1.28 0.00 -1.71 0.00 0.00 66.02 63.87 1ry5 s SER 221 CO 0.65 0.21 1.80 -0.65 1.20 0.00 0.00 173.24 176.45 1ry5 h PRO 222 N 6.39 0.00 -0.10 5.44 0.11 -2.04 -3.06 132.00 138.73 1ry5 h PRO 222 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ry5 h PRO 222 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ry5 h PRO 222 CO 0.63 0.00 0.00 -2.37 -0.21 0.00 0.00 178.00 176.05 1ry5 n THR 223 N -2.44 0.22 -3.73 -1.15 5.66 -1.26 -4.93 114.28 106.65 1ry5 n THR 223 Ca -0.00 -0.61 -0.10 0.00 -3.05 0.00 0.00 64.05 60.29 1ry5 n THR 223 Cb 0.13 1.11 -0.05 0.00 -1.55 0.00 0.00 70.33 69.97 1ry5 n THR 223 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ry5 s GLU 224 N -1.08 1.10 -0.02 1.09 -1.05 -1.16 -4.46 118.70 113.12 1ry5 s GLU 224 Ca 0.18 -0.84 0.01 0.00 -0.15 0.00 0.00 54.97 54.17 1ry5 s GLU 224 Cb 0.12 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1ry5 s GLU 224 CO 0.17 -0.43 -0.04 0.54 0.95 0.00 0.00 175.26 176.46 1ry5 s VAL 225 N -3.85 0.38 0.47 1.83 0.11 -1.26 -4.44 120.40 113.64 1ry5 s VAL 225 Ca 0.06 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1ry5 s VAL 225 Cb 0.02 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1ry5 s VAL 225 CO -0.09 0.15 0.73 0.42 -3.33 0.00 0.00 175.10 172.99 1ry5 s THR 226 N 0.44 4.47 0.30 5.04 -4.23 -1.26 -4.26 115.64 116.15 1ry5 s THR 226 Ca -0.05 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1ry5 s THR 226 Cb -0.08 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1ry5 s THR 226 CO -0.00 -0.58 1.92 -0.07 -0.54 0.00 0.00 174.62 175.34 1ry5 h LEU 227 N 0.30 0.90 -0.28 4.79 3.38 -1.18 -0.32 115.31 122.90 1ry5 h LEU 227 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ry5 h LEU 227 Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ry5 h LEU 227 CO 0.60 0.58 0.17 0.25 0.09 0.00 0.00 178.44 180.14 1ry5 h LEU 228 N 1.03 0.34 -0.73 1.67 5.85 -1.68 -1.95 115.31 119.84 1ry5 h LEU 228 Ca 0.38 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 1ry5 h LEU 228 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ry5 h LEU 228 CO -0.14 0.29 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.88 1ry5 h GLU 229 N 0.36 0.93 -0.59 1.25 5.08 -1.70 -2.22 114.58 117.69 1ry5 h GLU 229 Ca 0.10 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1ry5 h GLU 229 Cb 0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1ry5 h GLU 229 CO -0.02 0.95 0.38 0.93 -1.00 0.00 0.00 179.01 180.25 1ry5 h GLU 230 N 0.85 0.75 -0.54 2.33 5.08 -0.86 -0.33 114.58 121.85 1ry5 h GLU 230 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ry5 h GLU 230 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ry5 h GLU 230 CO 0.03 0.50 0.21 -0.44 -1.00 0.00 0.00 179.01 178.31 1ry5 h ASP 231 N 0.77 0.76 -0.63 1.42 5.19 -1.10 0.12 116.42 122.95 1ry5 h ASP 231 Ca 0.22 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1ry5 h ASP 231 Cb -0.06 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.23 1ry5 h ASP 231 CO -0.06 0.73 0.14 0.11 -3.12 0.00 0.00 179.24 177.04 1ry5 h LYS 232 N 0.74 1.01 0.03 3.56 1.57 -1.13 -0.03 116.57 122.33 1ry5 h LYS 232 Ca 0.18 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ry5 h LYS 232 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ry5 h LYS 232 CO -0.01 0.92 -0.02 0.82 -0.57 0.00 0.00 179.45 180.59 1ry5 h ILE 233 N 0.93 1.24 -0.63 1.86 2.04 -0.83 -2.15 117.51 119.97 1ry5 h ILE 233 Ca 0.20 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1ry5 h ILE 233 Cb 0.37 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1ry5 h ILE 233 CO 0.00 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.58 1ry5 h GLY 235 N 0.90 1.22 0.87 0.00 0.00 -1.05 -1.74 103.07 103.27 1ry5 h GLY 235 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1ry5 h GLY 235 CO -0.01 0.67 0.06 -1.82 0.00 0.00 0.00 176.54 175.44 1ry5 h TYR 236 N 1.08 0.42 -0.21 5.60 5.03 -1.21 0.27 116.97 127.95 1ry5 h TYR 236 Ca 0.24 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1ry5 h TYR 236 Cb 0.30 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 1ry5 h TYR 236 CO 0.02 0.49 0.07 0.28 -1.32 0.00 0.00 178.16 177.70 1ry5 h VAL 237 N 0.23 1.19 -0.38 1.81 2.07 -1.32 -2.70 116.25 117.14 1ry5 h VAL 237 Ca 0.08 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1ry5 h VAL 237 Cb 0.28 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1ry5 h VAL 237 CO 0.00 0.18 0.07 0.00 0.02 0.00 0.00 177.57 177.85 1ry5 h ALA 238 N 0.89 1.41 0.00 1.67 0.00 -1.29 -1.73 119.26 120.21 1ry5 h ALA 238 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ry5 h ALA 238 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ry5 h ALA 238 CO -0.00 0.43 -0.01 0.78 0.00 0.00 0.00 179.25 180.44 1ry5 h GLY 239 N 0.81 0.00 2.00 0.00 0.00 -0.62 -2.22 103.07 103.04 1ry5 h GLY 239 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1ry5 h GLY 239 CO 0.00 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 175.14 1ry5 h GLY 240 N 0.07 0.00 0.62 4.60 0.00 -1.06 -1.46 103.07 105.84 1ry5 h GLY 240 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1ry5 h GLY 240 CO 0.00 0.00 0.37 1.41 0.00 0.00 0.00 176.54 178.32 1ry5 h LEU 241 N 0.00 0.52 0.07 3.11 3.38 -1.42 0.28 115.31 121.25 1ry5 h LEU 241 Ca -0.00 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1ry5 h LEU 241 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ry5 h LEU 241 CO 0.01 0.33 -1.08 -0.03 0.09 0.00 0.00 178.44 177.75 1ry5 h MET 242 N 0.66 0.14 0.00 1.13 4.05 -1.67 -3.34 114.93 115.90 1ry5 h MET 242 Ca 0.31 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1ry5 h MET 242 Cb 0.24 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1ry5 h MET 242 CO -0.21 1.12 -0.24 0.66 0.23 0.00 0.00 176.91 178.46 1ry5 n TYR 243 N -4.19 0.18 0.73 1.39 4.01 -0.58 -3.45 117.16 115.25 1ry5 n TYR 243 Ca -0.23 0.05 0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1ry5 n TYR 243 Cb 0.76 -0.49 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1ry5 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ry5 n ALA 244 N -1.57 2.90 -0.33 -0.72 0.00 0.97 -4.61 120.51 117.15 1ry5 n ALA 244 Ca 0.06 -0.58 0.18 0.00 0.00 0.00 0.00 53.44 53.09 1ry5 n ALA 244 Cb 0.36 -0.58 0.35 0.00 0.00 0.00 0.00 19.45 19.58 1ry5 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ry5 h ALA 245 N 3.09 1.39 -0.42 0.00 0.00 -1.61 0.54 119.26 122.25 1ry5 h ALA 245 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1ry5 h ALA 245 Cb 0.63 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ry5 h ALA 245 CO 0.00 -0.62 0.28 -1.35 0.00 0.00 0.00 179.25 177.56 1ry5 h PRO 246 N 0.05 0.33 0.00 0.00 0.11 -1.85 -1.44 132.00 129.20 1ry5 h PRO 246 Ca 0.64 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1ry5 h PRO 246 Cb 1.40 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1ry5 h PRO 246 CO -0.83 0.22 -0.62 0.87 -0.21 0.00 0.00 178.00 177.42 1ry5 h LYS 247 N 0.34 0.00 -6.52 1.05 1.57 -0.29 -3.46 116.57 109.26 1ry5 h LYS 247 Ca 0.18 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.43 1ry5 h LYS 247 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ry5 h LYS 247 CO -0.04 0.00 0.56 0.50 -0.57 0.00 0.00 179.45 179.90 1ry5 s ARG 248 N -3.26 4.45 0.00 3.15 3.52 -0.54 -4.09 118.95 122.17 1ry5 s ARG 248 Ca 0.04 1.79 0.26 0.00 -0.13 0.00 0.00 55.73 57.68 1ry5 s ARG 248 Cb 0.10 -3.33 0.52 0.00 -1.56 0.00 0.00 34.95 30.68 1ry5 s ARG 248 CO 0.73 -0.22 1.44 1.63 -0.81 0.00 0.00 175.30 178.08