#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r15 s VAL 2 N 0.00 5.23 0.62 9.51 0.11 -1.26 -1.17 120.40 133.44 1r15 s VAL 2 Ca 0.00 0.68 -0.18 0.00 -2.93 0.00 0.00 61.98 59.56 1r15 s VAL 2 Cb 0.00 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1r15 s VAL 2 CO 0.00 0.29 1.19 -2.16 -3.33 0.00 0.00 175.10 171.09 1r15 s PRO 3 N 1.05 2.82 0.28 1.54 0.04 -1.26 -4.82 135.00 134.65 1r15 s PRO 3 Ca 0.19 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 1r15 s PRO 3 Cb -0.14 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1r15 s PRO 3 CO 0.07 -1.30 1.41 0.99 0.04 0.00 0.00 177.00 178.21 1r15 s THR 4 N -1.76 2.63 0.57 1.26 2.01 0.63 -4.95 115.64 116.02 1r15 s THR 4 Ca 0.75 0.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.15 1r15 s THR 4 Cb -0.29 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1r15 s THR 4 CO 0.36 0.10 1.04 -0.13 -0.69 0.00 0.00 174.62 175.31 1r15 s ARG 5 N -0.86 3.47 -1.59 4.92 0.52 -1.26 -3.79 118.95 120.35 1r15 s ARG 5 Ca 0.56 1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 56.91 1r15 s ARG 5 Cb -0.42 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.04 1r15 s ARG 5 CO 0.47 -0.68 0.17 0.39 0.02 0.00 0.00 175.30 175.67 1r15 n GLU 6 N -1.83 -1.24 -0.36 3.54 1.02 -1.26 -4.73 120.64 115.78 1r15 n GLU 6 Ca 0.08 0.14 -0.05 0.00 -0.02 0.00 0.00 57.16 57.32 1r15 n GLU 6 Cb 0.53 -3.92 -0.00 0.00 -0.02 0.00 0.00 31.44 28.02 1r15 n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r15 h LEU 7 N -1.64 -1.61 -0.57 -4.62 5.85 -1.97 -0.59 115.31 110.17 1r15 h LEU 7 Ca -0.64 0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.44 1r15 h LEU 7 Cb 1.40 0.79 -0.09 0.00 0.37 0.00 0.00 40.66 43.13 1r15 h LEU 7 CO 0.73 -0.28 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.69 1r15 h GLU 8 N -0.04 -0.23 -0.17 1.25 4.39 -1.94 0.21 114.58 118.05 1r15 h GLU 8 Ca 0.28 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.00 1r15 h GLU 8 Cb 0.55 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1r15 h GLU 8 CO -0.93 -0.16 0.09 -0.91 -1.16 0.00 0.00 179.01 175.95 1r15 h ASN 9 N -0.24 0.14 -0.24 1.42 2.35 -1.55 0.20 115.58 117.65 1r15 h ASN 9 Ca 0.10 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1r15 h ASN 9 Cb 0.49 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 1r15 h ASN 9 CO -0.67 0.11 -0.07 0.58 -1.65 0.00 0.00 177.43 175.73 1r15 h VAL 10 N 0.19 0.74 0.26 2.81 2.07 -0.71 0.84 116.25 122.46 1r15 h VAL 10 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1r15 h VAL 10 Cb 0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1r15 h VAL 10 CO -0.04 0.00 -0.29 0.15 0.02 0.00 0.00 177.57 177.41 1r15 h PHE 11 N -0.01 -0.78 -0.54 1.57 3.04 -0.23 0.15 116.94 120.15 1r15 h PHE 11 Ca 0.12 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1r15 h PHE 11 Cb 0.19 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 1r15 h PHE 11 CO -0.25 -0.41 0.19 -0.07 -2.02 0.00 0.00 178.31 175.75 1r15 h LEU 12 N -0.60 0.72 -0.05 0.59 3.38 -0.11 0.16 115.31 119.40 1r15 h LEU 12 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1r15 h LEU 12 Cb 0.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1r15 h LEU 12 CO -0.08 0.66 0.00 1.23 0.09 0.00 0.00 178.44 180.35 1r15 h GLY 13 N 0.92 0.10 1.12 0.83 0.00 0.10 -0.75 103.07 105.38 1r15 h GLY 13 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1r15 h GLY 13 CO -0.01 0.07 0.54 3.21 0.00 0.00 0.00 176.54 180.35 1r15 h ARG 14 N -0.19 1.18 0.36 4.80 3.08 -0.41 -0.53 114.38 122.66 1r15 h ARG 14 Ca 0.02 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1r15 h ARG 14 Cb 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1r15 h ARG 14 CO 0.00 0.81 -0.17 0.00 -1.07 0.00 0.00 179.97 179.54 1r15 h LYS 16 N -0.58 0.50 -0.77 0.00 1.63 -0.89 0.03 116.57 116.49 1r15 h LYS 16 Ca -0.05 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1r15 h LYS 16 Cb 0.43 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.87 1r15 h LYS 16 CO 0.08 0.33 0.41 0.22 -3.45 0.00 0.00 179.45 177.05 1r15 h ASP 17 N 0.51 0.57 0.59 4.20 3.58 -0.94 -1.45 116.42 123.48 1r15 h ASP 17 Ca 0.17 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1r15 h ASP 17 Cb 0.01 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1r15 h ASP 17 CO -0.08 0.32 -0.29 0.22 -2.88 0.00 0.00 179.24 176.53 1r15 h TYR 18 N 0.69 -0.74 -0.83 0.28 5.03 -0.61 -0.50 116.97 120.29 1r15 h TYR 18 Ca 0.38 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.75 1r15 h TYR 18 Cb 0.38 0.24 -0.10 0.00 1.55 0.00 0.00 36.73 38.81 1r15 h TYR 18 CO -0.08 -0.40 -0.50 1.49 -1.32 0.00 0.00 178.16 177.35 1r15 h GLU 19 N -1.03 -0.01 0.00 1.82 4.81 -0.61 -0.44 114.58 119.12 1r15 h GLU 19 Ca -0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1r15 h GLU 19 Cb 0.67 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1r15 h GLU 19 CO 0.13 -0.01 -0.79 0.82 -0.73 0.00 0.00 179.01 178.44 1r15 h ILE 20 N -0.01 1.50 0.00 2.32 1.08 -1.33 -3.42 117.51 117.66 1r15 h ILE 20 Ca 0.13 -2.76 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 1r15 h ILE 20 Cb 0.35 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 1r15 h ILE 20 CO -0.78 0.77 0.00 0.35 -0.69 0.00 0.00 178.15 177.80 1r15 n THR 21 N -3.51 0.00 -0.05 -0.27 -2.24 -0.20 -4.99 114.28 103.01 1r15 n THR 21 Ca -0.00 -0.06 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1r15 n THR 21 Cb 0.78 1.60 -0.00 0.00 -2.10 0.00 0.00 70.33 70.61 1r15 n THR 21 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1r15 h ARG 22 N 0.00 0.00 -1.02 -0.78 2.47 -1.02 -3.41 114.38 110.63 1r15 h ARG 22 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1r15 h ARG 22 Cb 0.30 0.00 -0.42 0.00 -1.65 0.00 0.00 29.97 28.20 1r15 h ARG 22 CO 0.00 0.00 -0.88 0.66 0.56 0.00 0.00 179.97 180.31 1r15 n TYR 23 N -4.75 2.57 -0.32 3.04 4.02 -1.26 -4.88 117.16 115.58 1r15 n TYR 23 Ca -0.01 -2.61 0.25 0.00 -0.01 0.00 0.00 57.90 55.52 1r15 n TYR 23 Cb 0.02 -0.24 0.46 0.00 -0.02 0.00 0.00 39.34 39.57 1r15 n TYR 23 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1r15 n LEU 24 N -0.52 0.17 0.06 7.72 4.77 -1.26 -0.46 117.00 127.48 1r15 n LEU 24 Ca 0.32 1.61 0.11 0.00 -0.03 0.00 0.00 56.01 58.02 1r15 n LEU 24 Cb 0.81 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1r15 n LEU 24 CO 0.31 -1.74 -0.17 0.47 -1.33 0.00 0.00 177.39 174.93 1r15 n ASP 25 N -5.26 0.59 -0.02 -1.43 8.00 -1.26 -4.47 116.55 112.69 1r15 n ASP 25 Ca 0.31 0.16 -0.21 0.00 0.71 0.00 0.00 54.79 55.76 1r15 n ASP 25 Cb 1.06 0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 42.92 1r15 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r15 n ILE 26 N -2.44 1.73 -4.40 0.53 -0.00 0.39 -4.98 119.36 110.19 1r15 n ILE 26 Ca -0.01 -0.60 -0.24 0.00 -0.00 0.00 0.00 62.75 61.91 1r15 n ILE 26 Cb 0.53 -1.72 -0.13 0.00 -0.00 0.00 0.00 39.64 38.32 1r15 n ILE 26 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1r15 s LEU 27 N -7.05 2.25 0.70 1.39 1.43 -0.07 -4.73 118.68 112.59 1r15 s LEU 27 Ca -0.25 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1r15 s LEU 27 Cb 0.07 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1r15 s LEU 27 CO 0.73 0.08 1.13 -2.84 0.23 0.00 0.00 176.35 175.68 1r15 s PRO 28 N -1.61 2.53 0.52 1.29 0.02 -1.26 -4.50 135.00 131.99 1r15 s PRO 28 Ca 0.06 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 62.39 1r15 s PRO 28 Cb -0.09 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1r15 s PRO 28 CO 0.03 -1.47 0.95 1.03 -0.33 0.00 0.00 177.00 177.21 1r15 s ARG 29 N -4.18 3.80 0.32 5.54 1.81 -1.26 -4.88 118.95 120.10 1r15 s ARG 29 Ca 0.68 0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 55.41 1r15 s ARG 29 Cb -0.22 -2.18 -0.05 0.00 -0.45 0.00 0.00 34.95 32.05 1r15 s ARG 29 CO 0.45 -0.31 0.59 0.54 -0.68 0.00 0.00 175.30 175.89 1r15 s VAL 30 N -2.74 4.99 0.04 3.52 0.11 -1.26 -4.98 120.40 120.08 1r15 s VAL 30 Ca 0.56 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.53 1r15 s VAL 30 Cb -0.10 -3.75 -0.16 0.00 -1.53 0.00 0.00 36.38 30.84 1r15 s VAL 30 CO 0.38 -0.39 1.27 -0.09 -3.33 0.00 0.00 175.10 172.94 1r15 h ARG 31 N 1.48 0.48 -7.12 1.54 2.43 -1.94 -3.46 114.38 107.80 1r15 h ARG 31 Ca -0.48 -0.34 -0.50 0.00 -0.81 0.00 0.00 59.98 57.85 1r15 h ARG 31 Cb 1.19 0.05 0.08 0.00 -0.42 0.00 0.00 29.97 30.88 1r15 h ARG 31 CO 0.65 0.96 0.42 -1.12 -1.51 0.00 0.00 179.97 179.36 1r15 s SER 32 N -6.49 5.52 0.58 -3.80 0.01 -1.26 -5.04 113.70 103.22 1r15 s SER 32 Ca -0.13 2.13 -0.03 0.00 1.31 0.00 0.00 55.95 59.23 1r15 s SER 32 Cb 0.06 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1r15 s SER 32 CO 0.80 -1.35 0.85 1.51 0.41 0.00 0.00 173.24 175.46 1r15 s ASP 33 N -2.01 5.35 0.23 2.44 1.47 -1.26 -4.87 116.67 118.01 1r15 s ASP 33 Ca 0.71 0.35 -0.07 0.00 1.18 0.00 0.00 52.55 54.73 1r15 s ASP 33 Cb -0.23 -1.28 0.31 0.00 -0.34 0.00 0.00 42.92 41.38 1r15 s ASP 33 CO 0.31 -1.15 1.81 0.00 0.68 0.00 0.00 175.17 176.82 1r15 h SER 35 N 0.72 0.96 -0.32 0.00 0.02 -1.98 0.30 113.55 113.25 1r15 h SER 35 Ca 0.34 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1r15 h SER 35 Cb 0.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1r15 h SER 35 CO -0.22 0.68 -0.15 0.00 -1.14 0.00 0.00 176.83 176.01 1r15 h ALA 36 N 1.48 0.45 -0.47 3.77 0.00 -1.70 -1.86 119.26 120.93 1r15 h ALA 36 Ca 0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1r15 h ALA 36 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1r15 h ALA 36 CO -0.08 0.35 0.08 -0.07 0.00 0.00 0.00 179.25 179.54 1r15 h LEU 37 N 0.44 0.68 -0.11 0.00 3.38 -0.52 -2.13 115.31 117.05 1r15 h LEU 37 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1r15 h LEU 37 Cb 0.68 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1r15 h LEU 37 CO 0.05 0.70 0.04 -0.25 0.09 0.00 0.00 178.44 179.07 1r15 h TRP 38 N 0.70 0.17 -0.67 1.13 2.91 -0.18 -1.68 115.95 118.34 1r15 h TRP 38 Ca 0.15 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.23 1r15 h TRP 38 Cb 0.31 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 28.85 1r15 h TRP 38 CO 0.02 0.28 0.36 0.87 -1.03 0.00 0.00 178.44 178.94 1r15 h LYS 39 N 0.01 0.63 -0.61 2.65 1.57 -1.04 0.38 116.57 120.17 1r15 h LYS 39 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1r15 h LYS 39 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1r15 h LYS 39 CO -0.00 0.42 0.17 -0.44 -0.57 0.00 0.00 179.45 179.03 1r15 h ASP 40 N 0.65 0.87 -0.11 0.86 3.32 -1.28 -1.31 116.42 119.43 1r15 h ASP 40 Ca 0.31 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1r15 h ASP 40 Cb 0.24 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1r15 h ASP 40 CO -0.21 0.83 -0.69 0.15 -1.72 0.00 0.00 179.24 177.60 1r15 h PHE 41 N 0.90 0.97 -0.04 4.55 3.57 -0.37 -3.25 116.94 123.26 1r15 h PHE 41 Ca 0.20 -0.40 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1r15 h PHE 41 Cb 0.28 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1r15 h PHE 41 CO 0.02 1.21 -0.09 0.35 -2.23 0.00 0.00 178.31 177.57 1r15 h PHE 42 N 0.53 0.17 -0.53 0.41 3.57 -0.05 -3.16 116.94 117.88 1r15 h PHE 42 Ca -0.02 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.55 1r15 h PHE 42 Cb 1.29 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1r15 h PHE 42 CO 0.07 0.68 0.37 1.57 -2.23 0.00 0.00 178.31 178.78 1r15 h LYS 43 N -0.39 0.11 -0.81 1.11 2.10 -1.36 0.03 116.57 117.36 1r15 h LYS 43 Ca 0.00 -0.01 0.13 0.00 -2.00 0.00 0.00 60.65 58.77 1r15 h LYS 43 Cb 0.67 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.92 1r15 h LYS 43 CO 0.02 0.07 0.53 0.00 -2.00 0.00 0.00 179.45 178.07 1r15 h ALA 44 N 1.74 1.89 0.00 0.07 0.00 -1.57 -3.32 119.26 118.06 1r15 h ALA 44 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1r15 h ALA 44 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r15 h ALA 44 CO -0.03 -0.09 -0.07 1.97 0.00 0.00 0.00 179.25 181.03 1r15 n PHE 45 N -4.52 0.00 -2.25 0.00 -1.74 -0.66 -4.80 117.46 103.50 1r15 n PHE 45 Ca 0.15 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.65 1r15 n PHE 45 Cb 0.43 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.41 1r15 n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r15 s SER 46 N -0.60 6.45 -0.66 5.98 1.04 -0.10 -3.29 113.70 122.52 1r15 s SER 46 Ca 0.00 2.40 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1r15 s SER 46 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1r15 s SER 46 CO 0.00 -0.73 0.00 0.49 0.98 0.00 0.00 173.24 173.98 1r15 n PHE 47 N 0.04 0.00 -3.91 5.02 3.72 -0.10 -4.92 117.46 117.32 1r15 n PHE 47 Ca 0.04 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.21 1r15 n PHE 47 Cb 0.46 -2.27 -0.05 0.00 -0.94 0.00 0.00 39.48 36.68 1r15 n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r15 s LYS 48 N -2.40 2.33 0.42 -1.08 1.02 -1.21 -4.42 119.74 114.41 1r15 s LYS 48 Ca 0.00 -1.79 -0.21 0.00 0.02 0.00 0.00 55.97 53.99 1r15 s LYS 48 Cb 0.00 -2.13 -0.11 0.00 -0.52 0.00 0.00 37.83 35.08 1r15 s LYS 48 CO 0.00 -0.25 0.93 -0.80 -0.92 0.00 0.00 175.35 174.31 1r15 s ASN 49 N -4.06 6.94 0.37 2.83 0.01 -1.26 -2.01 114.94 117.77 1r15 s ASN 49 Ca 0.41 1.66 0.19 0.00 -0.71 0.00 0.00 52.86 54.42 1r15 s ASN 49 Cb 0.00 -2.53 1.21 0.00 0.41 0.00 0.00 41.25 40.34 1r15 s ASN 49 CO 0.24 -0.34 1.65 1.55 -1.51 0.00 0.00 177.10 178.69 1r15 h PRO 50 N 1.98 0.22 -0.61 -0.60 0.13 -1.87 0.46 132.00 131.72 1r15 h PRO 50 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r15 h PRO 50 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1r15 h PRO 50 CO 0.61 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 1r15 n ASP 52 N 0.64 7.00 -3.92 0.00 -0.08 0.16 -4.73 116.55 115.62 1r15 n ASP 52 Ca 0.17 -3.43 -0.09 0.00 -1.51 0.00 0.00 54.79 49.92 1r15 n ASP 52 Cb 0.63 -1.27 -0.07 0.00 2.34 0.00 0.00 41.12 42.75 1r15 n ASP 52 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1r15 s LEU 53 N -2.96 1.15 0.26 -2.67 1.43 -1.26 -4.76 118.68 109.87 1r15 s LEU 53 Ca 0.40 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1r15 s LEU 53 Cb 0.14 1.12 -0.01 0.00 0.03 0.00 0.00 46.19 47.47 1r15 s LEU 53 CO -0.04 -0.82 0.41 1.51 0.23 0.00 0.00 176.35 177.64 1r15 s ASP 54 N -2.92 0.19 0.64 2.29 -4.77 -1.23 -2.45 116.67 108.42 1r15 s ASP 54 Ca 0.12 -1.15 0.19 0.00 -3.30 0.00 0.00 52.55 48.41 1r15 s ASP 54 Cb 0.04 0.57 0.90 0.00 -1.09 0.00 0.00 42.92 43.34 1r15 s ASP 54 CO -0.05 -1.13 1.46 -0.07 0.70 0.00 0.00 175.17 176.09 1r15 h LEU 55 N 2.29 0.00 0.00 2.11 -0.00 -1.83 0.15 115.31 118.02 1r15 h LEU 55 Ca -0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 1r15 h LEU 55 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1r15 h LEU 55 CO 0.40 0.00 -1.12 0.61 -0.00 0.00 0.00 178.44 178.33 1r15 n GLY 56 N -1.49 -1.41 0.32 0.83 0.00 -1.26 -4.44 105.19 97.75 1r15 n GLY 56 Ca 0.07 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1r15 n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r15 h SER 57 N 0.00 0.23 -0.58 1.61 0.02 -1.04 0.13 113.55 113.92 1r15 h SER 57 Ca -0.02 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1r15 h SER 57 Cb 1.08 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1r15 h SER 57 CO 0.01 -0.16 0.00 -1.22 -1.14 0.00 0.00 176.83 174.32 1r15 n TYR 58 N -5.15 1.39 -0.08 3.45 4.01 -1.26 -4.34 117.16 115.18 1r15 n TYR 58 Ca 0.27 -0.64 -0.06 0.00 -0.16 0.00 0.00 57.90 57.31 1r15 n TYR 58 Cb 0.84 -0.25 -0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1r15 n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r15 h LYS 59 N 3.70 -0.03 -0.67 -0.72 3.64 -0.94 0.62 116.57 122.17 1r15 h LYS 59 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r15 h LYS 59 Cb 1.43 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 1r15 h LYS 59 CO 0.23 -0.02 0.40 -0.44 -2.27 0.00 0.00 179.45 177.35 1r15 h ASP 60 N -0.03 0.80 0.29 4.20 3.32 -1.81 -1.15 116.42 122.04 1r15 h ASP 60 Ca 0.15 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1r15 h ASP 60 Cb 0.26 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1r15 h ASP 60 CO -0.34 0.63 -0.21 0.15 -1.72 0.00 0.00 179.24 177.75 1r15 h PHE 61 N 0.91 -0.54 0.00 4.55 3.57 -1.49 -2.15 116.94 121.79 1r15 h PHE 61 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1r15 h PHE 61 Cb -0.03 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1r15 h PHE 61 CO -0.02 -0.32 -0.07 0.74 -2.23 0.00 0.00 178.31 176.42 1r15 h PHE 62 N -0.49 0.00 -0.28 0.41 0.04 -0.65 0.10 116.94 116.06 1r15 h PHE 62 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1r15 h PHE 62 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1r15 h PHE 62 CO -0.11 0.07 -0.15 1.15 -0.60 0.00 0.00 178.31 178.66 1r15 h THR 63 N 0.00 1.30 0.00 -1.55 2.02 -0.80 -0.21 112.91 113.67 1r15 h THR 63 Ca -0.00 -1.26 -0.12 0.00 0.77 0.00 0.00 66.41 65.80 1r15 h THR 63 Cb 0.15 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1r15 h THR 63 CO 0.01 0.40 -0.59 0.28 0.37 0.00 0.00 175.52 175.99 1r15 h SER 64 N 0.35 0.00 0.08 4.18 0.02 -0.61 -3.17 113.55 114.40 1r15 h SER 64 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1r15 h SER 64 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1r15 h SER 64 CO 0.04 0.59 -0.34 0.00 -1.14 0.00 0.00 176.83 175.99 1r15 n ALA 65 N -2.41 3.25 -2.38 3.77 0.00 0.25 -4.56 120.51 118.43 1r15 n ALA 65 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1r15 n ALA 65 Cb 0.60 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1r15 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r15 s GLN 66 N -2.43 4.25 0.24 0.00 2.00 -0.10 -4.50 119.66 119.11 1r15 s GLN 66 Ca 0.22 1.73 0.00 0.00 -2.00 0.00 0.00 55.36 55.31 1r15 s GLN 66 Cb 0.19 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 30.21 1r15 s GLN 66 CO 0.52 -0.68 0.43 -0.65 -0.50 0.00 0.00 175.29 174.42 1r15 s GLN 67 N 3.32 3.51 0.22 1.67 -0.21 -1.26 -4.98 119.66 121.93 1r15 s GLN 67 Ca 0.57 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 1r15 s GLN 67 Cb -0.24 -2.79 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 1r15 s GLN 67 CO 0.18 0.34 0.99 -0.65 -2.12 0.00 0.00 175.29 174.03 1r15 s GLN 68 N -3.64 4.76 -0.16 2.91 -0.21 -1.26 -4.99 119.66 117.07 1r15 s GLN 68 Ca 0.39 1.58 -0.07 0.00 0.02 0.00 0.00 55.36 57.27 1r15 s GLN 68 Cb -0.10 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1r15 s GLN 68 CO 0.31 0.36 0.08 -0.51 -2.12 0.00 0.00 175.29 173.40 1r15 s LEU 69 N -0.96 3.95 0.10 2.90 1.02 -1.26 -4.51 118.68 119.92 1r15 s LEU 69 Ca 0.44 0.19 -0.36 0.00 0.02 0.00 0.00 54.13 54.41 1r15 s LEU 69 Cb -0.27 -1.98 -0.17 0.00 0.02 0.00 0.00 46.19 43.78 1r15 s LEU 69 CO 0.34 0.25 1.22 -2.65 0.02 0.00 0.00 176.35 175.52 1r15 n PRO 70 N 3.06 0.90 -1.75 1.29 -0.02 -1.26 -4.48 135.00 132.74 1r15 n PRO 70 Ca -0.17 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1r15 n PRO 70 Cb 0.53 -1.88 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 1r15 n PRO 70 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1r15 n LYS 71 N 2.09 2.24 -0.96 -0.52 3.00 -1.26 -3.01 118.16 119.73 1r15 n LYS 71 Ca 0.18 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 1r15 n LYS 71 Cb 0.19 -2.57 0.00 0.00 0.00 0.00 0.00 35.03 32.65 1r15 n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1r15 n ASN 72 N 0.05 -5.28 0.00 3.14 3.02 -0.63 -4.74 115.26 110.82 1r15 n ASN 72 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1r15 n ASN 72 Cb 0.40 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 1r15 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1r15 n LYS 73 N 0.45 -0.50 -1.85 3.52 2.85 -1.16 -4.63 118.16 116.84 1r15 n LYS 73 Ca 0.00 -0.35 -0.41 0.00 -1.05 0.00 0.00 58.31 56.50 1r15 n LYS 73 Cb 0.42 -0.81 -0.02 0.00 -0.65 0.00 0.00 35.03 33.98 1r15 n LYS 73 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1r15 s VAL 74 N -0.03 2.23 0.01 0.58 1.01 -1.26 -1.94 120.40 121.01 1r15 s VAL 74 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1r15 s VAL 74 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1r15 s VAL 74 CO 0.00 0.03 -0.20 -0.32 0.00 0.00 0.00 175.10 174.61 1r15 s MET 75 N -0.60 1.50 0.17 2.72 0.00 -0.56 -1.26 119.30 121.26 1r15 s MET 75 Ca 0.61 -0.83 0.10 0.00 0.00 0.00 0.00 55.69 55.57 1r15 s MET 75 Cb -0.46 -1.53 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1r15 s MET 75 CO 0.48 0.40 -0.21 -0.06 0.00 0.00 0.00 175.02 175.63 1r15 s PHE 76 N -0.64 2.05 0.13 4.11 0.08 0.22 -4.45 117.98 119.48 1r15 s PHE 76 Ca 0.07 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1r15 s PHE 76 Cb -0.08 -1.03 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1r15 s PHE 76 CO 0.01 0.40 0.27 1.67 -0.10 0.00 0.00 175.22 177.47 1r15 s TRP 77 N -1.78 0.19 -0.06 0.36 1.48 -1.26 -0.49 118.94 117.38 1r15 s TRP 77 Ca 0.17 -0.58 -0.03 0.00 -1.06 0.00 0.00 56.10 54.61 1r15 s TRP 77 Cb -0.07 0.01 0.04 0.00 -1.16 0.00 0.00 33.47 32.28 1r15 s TRP 77 CO 0.08 -0.66 0.12 -1.12 -4.06 0.00 0.00 176.95 171.31 1r15 s SER 78 N -2.90 0.62 -1.33 -2.66 0.01 -0.39 -4.83 113.70 102.23 1r15 s SER 78 Ca 0.10 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1r15 s SER 78 Cb 0.04 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1r15 s SER 78 CO -0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1r15 n GLY 79 N 4.99 -0.44 2.76 3.44 0.00 -1.26 -3.38 105.19 111.30 1r15 n GLY 79 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1r15 n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r15 n VAL 80 N -3.57 0.76 -0.27 1.61 0.24 -1.26 -4.69 118.33 111.15 1r15 n VAL 80 Ca -0.18 -2.20 -0.11 0.00 -2.04 0.00 0.00 64.34 59.80 1r15 n VAL 80 Cb 0.64 1.15 -0.09 0.00 -1.47 0.00 0.00 33.84 34.07 1r15 n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r15 h TYR 81 N 2.05 -1.64 -0.19 6.34 5.03 -1.96 0.11 116.97 126.71 1r15 h TYR 81 Ca -0.25 0.10 0.03 0.00 2.58 0.00 0.00 58.73 61.19 1r15 h TYR 81 Cb 1.28 0.81 -0.03 0.00 1.55 0.00 0.00 36.73 40.33 1r15 h TYR 81 CO 0.29 -0.38 0.01 -0.44 -1.32 0.00 0.00 178.16 176.31 1r15 h ASP 82 N -0.15 -0.06 -0.54 -2.11 3.32 -1.99 -1.16 116.42 113.73 1r15 h ASP 82 Ca 0.11 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1r15 h ASP 82 Cb 0.44 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1r15 h ASP 82 CO -0.72 -0.00 0.26 -0.33 -1.72 0.00 0.00 179.24 176.73 1r15 h GLU 83 N 0.07 0.77 -0.16 3.56 3.07 -1.82 -1.27 114.58 118.81 1r15 h GLU 83 Ca 0.09 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1r15 h GLU 83 Cb 0.10 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1r15 h GLU 83 CO -0.14 0.64 0.10 0.00 -1.40 0.00 0.00 179.01 178.20 1r15 h ALA 84 N 1.09 0.20 -0.33 3.43 0.00 -0.61 -1.39 119.26 121.65 1r15 h ALA 84 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1r15 h ALA 84 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1r15 h ALA 84 CO -0.02 -0.30 -0.24 0.45 0.00 0.00 0.00 179.25 179.14 1r15 h HIS 85 N 0.20 0.74 -0.39 0.00 3.86 -1.11 0.62 115.15 119.06 1r15 h HIS 85 Ca 0.06 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1r15 h HIS 85 Cb 0.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1r15 h HIS 85 CO -0.06 0.83 0.15 -0.44 0.86 0.00 0.00 177.93 179.28 1r15 h ASP 86 N 0.58 0.55 -0.39 2.45 3.32 -1.06 0.01 116.42 121.88 1r15 h ASP 86 Ca 0.08 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1r15 h ASP 86 Cb 0.71 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1r15 h ASP 86 CO 0.05 0.58 0.09 0.22 -1.72 0.00 0.00 179.24 178.46 1r15 h TYR 87 N 0.49 0.66 -0.05 4.55 3.20 -1.06 -2.00 116.97 122.76 1r15 h TYR 87 Ca 0.13 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1r15 h TYR 87 Cb 0.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1r15 h TYR 87 CO 0.00 0.64 0.04 0.00 -1.64 0.00 0.00 178.16 177.20 1r15 h ALA 88 N 0.94 1.85 -6.08 1.82 0.00 -0.63 -3.43 119.26 113.72 1r15 h ALA 88 Ca 0.12 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.61 1r15 h ALA 88 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1r15 h ALA 88 CO 0.00 -0.07 -0.82 -1.71 0.00 0.00 0.00 179.25 176.66 1r15 n ASN 89 N -4.23 -1.63 -3.54 0.00 4.05 -0.03 -1.62 115.26 108.27 1r15 n ASN 89 Ca -0.02 -0.80 -0.23 0.00 0.45 0.00 0.00 54.58 53.98 1r15 n ASN 89 Cb 0.14 -4.11 0.05 0.00 1.23 0.00 0.00 39.78 37.09 1r15 n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1r15 n THR 90 N -4.32 -6.58 -0.05 -0.44 -1.04 -1.25 -1.94 114.28 98.66 1r15 n THR 90 Ca -0.26 -0.96 0.00 0.00 -2.04 0.00 0.00 64.05 60.79 1r15 n THR 90 Cb 0.66 -4.92 0.00 0.00 -1.82 0.00 0.00 70.33 64.25 1r15 n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r15 n GLY 91 N -1.49 2.02 0.22 3.41 0.00 -1.11 -4.84 105.19 103.40 1r15 n GLY 91 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1r15 n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r15 h ARG 92 N 1.44 0.75 0.00 1.61 3.08 -1.33 -3.38 114.38 116.55 1r15 h ARG 92 Ca 0.00 -0.35 -0.44 0.00 0.07 0.00 0.00 59.98 59.26 1r15 h ARG 92 Cb 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1r15 h ARG 92 CO 0.00 0.97 -2.45 1.17 -1.07 0.00 0.00 179.97 178.59 1r15 n LYS 93 N -4.27 0.58 -4.01 0.04 4.81 -0.64 -5.02 118.16 109.65 1r15 n LYS 93 Ca -0.03 0.26 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1r15 n LYS 93 Cb 0.44 -1.48 -0.10 0.00 0.02 0.00 0.00 35.03 33.90 1r15 n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r15 s TYR 94 N -2.53 0.34 0.16 5.64 2.02 -1.07 -4.90 117.35 117.01 1r15 s TYR 94 Ca -0.38 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 55.64 1r15 s TYR 94 Cb 0.14 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1r15 s TYR 94 CO 0.48 -0.30 0.17 0.96 -1.57 0.00 0.00 175.55 175.29 1r15 s ILE 95 N -2.62 4.68 0.36 2.71 -4.36 -0.82 -2.75 121.20 118.41 1r15 s ILE 95 Ca -0.05 -0.98 0.05 0.00 -0.26 0.00 0.00 60.65 59.40 1r15 s ILE 95 Cb -0.01 -3.39 -0.06 0.00 1.25 0.00 0.00 42.46 40.24 1r15 s ILE 95 CO -0.05 -0.10 0.05 0.42 0.24 0.00 0.00 174.94 175.50 1r15 s THR 96 N -1.74 1.37 0.20 8.37 -4.23 -1.26 -1.50 115.64 116.84 1r15 s THR 96 Ca 0.32 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1r15 s THR 96 Cb -0.10 -2.80 0.13 0.00 1.34 0.00 0.00 72.50 71.07 1r15 s THR 96 CO 0.25 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.29 1r15 h LEU 97 N 1.97 0.01 -1.84 4.79 5.85 -1.98 0.63 115.31 124.74 1r15 h LEU 97 Ca -0.41 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1r15 h LEU 97 Cb 1.25 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1r15 h LEU 97 CO 0.72 0.03 0.13 -0.33 -0.34 0.00 0.00 178.44 178.64 1r15 h GLU 98 N 0.25 0.00 0.00 1.25 3.07 -1.96 -1.24 114.58 115.95 1r15 h GLU 98 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1r15 h GLU 98 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1r15 h GLU 98 CO -0.35 0.00 -0.60 -0.44 -1.40 0.00 0.00 179.01 176.22 1r15 h ASP 99 N 0.00 0.00 -4.36 1.42 3.32 -1.22 -3.04 116.42 112.54 1r15 h ASP 99 Ca 0.00 -0.08 -0.51 0.00 0.02 0.00 0.00 57.03 56.46 1r15 h ASP 99 Cb 0.26 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.87 1r15 h ASP 99 CO 0.00 0.04 0.41 0.42 -1.72 0.00 0.00 179.24 178.39 1r15 s THR 100 N -3.24 4.61 0.15 0.35 -4.23 -0.47 -4.77 115.64 108.04 1r15 s THR 100 Ca 0.04 0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 61.12 1r15 s THR 100 Cb 0.10 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 1r15 s THR 100 CO 0.73 -1.11 1.57 0.25 -0.54 0.00 0.00 174.62 175.52 1r15 h LEU 101 N -0.37 -1.51 -0.69 4.79 5.85 -1.86 0.27 115.31 121.80 1r15 h LEU 101 Ca -0.44 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1r15 h LEU 101 Cb 1.19 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1r15 h LEU 101 CO 0.61 -0.37 0.44 -0.65 -0.34 0.00 0.00 178.44 178.13 1r15 h PRO 102 N -0.33 0.83 -0.38 5.25 0.11 -1.90 0.12 132.00 135.70 1r15 h PRO 102 Ca 0.13 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 1r15 h PRO 102 Cb 0.59 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1r15 h PRO 102 CO -0.59 0.55 -0.24 0.78 -0.21 0.00 0.00 178.00 178.29 1r15 h GLY 103 N 0.86 0.92 1.00 -0.55 0.00 -1.51 -2.02 103.07 101.76 1r15 h GLY 103 Ca 0.28 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1r15 h GLY 103 CO -0.10 0.78 0.09 -1.82 0.00 0.00 0.00 176.54 175.48 1r15 h TYR 104 N 0.65 0.93 -0.15 5.60 3.20 -0.16 0.35 116.97 127.38 1r15 h TYR 104 Ca 0.08 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1r15 h TYR 104 Cb 0.81 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1r15 h TYR 104 CO 0.06 0.83 0.04 0.52 -1.64 0.00 0.00 178.16 177.97 1r15 h MET 105 N 0.75 0.23 -0.08 1.82 2.86 -0.65 -3.23 114.93 116.63 1r15 h MET 105 Ca 0.16 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1r15 h MET 105 Cb 0.40 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1r15 h MET 105 CO 0.01 0.37 0.00 1.28 1.06 0.00 0.00 176.91 179.63 1r15 n LEU 106 N -4.84 2.49 -4.67 1.22 7.99 -0.77 -4.83 117.00 113.59 1r15 n LEU 106 Ca -0.05 -0.88 -0.48 0.00 -0.01 0.00 0.00 56.01 54.59 1r15 n LEU 106 Cb 0.15 -0.04 -0.05 0.00 -0.11 0.00 0.00 43.42 43.38 1r15 n LEU 106 CO 0.35 0.44 1.33 -3.20 -1.51 0.00 0.00 177.39 174.80 1r15 n ASN 107 N 0.93 3.15 0.00 -1.43 5.15 0.12 -1.09 115.26 122.08 1r15 n ASN 107 Ca 0.16 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 1r15 n ASN 107 Cb 0.51 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1r15 n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r15 n SER 108 N 5.03 0.00 -4.82 1.20 7.64 -1.26 -5.00 113.62 116.42 1r15 n SER 108 Ca 0.20 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.75 1r15 n SER 108 Cb 0.28 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1r15 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r15 s LEU 109 N 0.00 3.72 -0.11 -3.43 1.43 -0.25 -5.01 118.68 115.03 1r15 s LEU 109 Ca 0.00 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 1r15 s LEU 109 Cb 0.00 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.70 1r15 s LEU 109 CO 0.00 -0.73 -0.18 -0.69 0.23 0.00 0.00 176.35 174.98 1r15 s VAL 110 N -2.32 1.67 0.17 -1.59 1.01 -1.26 -4.98 120.40 113.09 1r15 s VAL 110 Ca 0.63 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1r15 s VAL 110 Cb -0.13 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1r15 s VAL 110 CO 0.26 0.47 0.58 -1.66 0.00 0.00 0.00 175.10 174.75 1r15 s TRP 111 N 0.81 -0.45 -0.08 5.22 -2.14 -1.26 -0.27 118.94 120.78 1r15 s TRP 111 Ca -0.09 0.20 -0.30 0.00 2.66 0.00 0.00 56.10 58.57 1r15 s TRP 111 Cb -0.16 0.53 0.11 0.00 -3.10 0.00 0.00 33.47 30.85 1r15 s TRP 111 CO 0.01 -0.87 0.93 0.00 -2.66 0.00 0.00 176.95 174.36 1r15 s GLY 113 N -1.86 1.76 0.05 0.00 0.00 -1.25 -1.65 107.32 104.37 1r15 s GLY 113 Ca 0.02 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 43.31 1r15 s GLY 113 CO -0.04 -0.85 0.35 -0.86 0.00 0.00 0.00 173.10 171.70 1r15 s GLN 114 N -5.10 0.87 0.09 2.90 -2.07 -0.85 -2.73 119.66 112.77 1r15 s GLN 114 Ca 0.62 -0.49 0.03 0.00 -1.82 0.00 0.00 55.36 53.70 1r15 s GLN 114 Cb -0.09 0.38 -0.24 0.00 -1.09 0.00 0.00 33.01 31.98 1r15 s GLN 114 CO 0.43 -0.29 1.19 0.00 -1.32 0.00 0.00 175.29 175.29 1r15 h ARG 115 N 3.06 0.09 -7.00 9.60 3.08 -1.76 -2.85 114.38 118.60 1r15 h ARG 115 Ca -0.32 -0.16 -0.49 0.00 0.07 0.00 0.00 59.98 59.08 1r15 h ARG 115 Cb 1.21 0.06 0.04 0.00 0.08 0.00 0.00 29.97 31.36 1r15 h ARG 115 CO 0.46 1.05 0.44 0.00 -1.07 0.00 0.00 179.97 180.84 1r15 s ALA 116 N -2.68 2.99 0.57 0.04 0.00 -1.26 -4.72 121.76 116.69 1r15 s ALA 116 Ca -0.01 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 1r15 s ALA 116 Cb 0.09 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1r15 s ALA 116 CO 0.84 -0.44 1.01 0.09 0.00 0.00 0.00 175.76 177.26 1r15 n ASN 117 N -0.44 1.03 0.00 0.00 3.02 -1.26 -1.01 115.26 116.60 1r15 n ASN 117 Ca 0.07 0.86 0.10 0.00 -0.03 0.00 0.00 54.58 55.58 1r15 n ASN 117 Cb 0.49 -1.40 0.54 0.00 -0.61 0.00 0.00 39.78 38.80 1r15 n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r15 n PRO 118 N -0.83 0.38 0.00 3.52 -0.04 -1.26 -4.90 135.00 131.87 1r15 n PRO 118 Ca 0.13 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1r15 n PRO 118 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1r15 n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r15 n GLY 119 N 0.40 0.85 3.21 0.55 0.00 -0.18 -4.83 105.19 105.18 1r15 n GLY 119 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1r15 n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r15 s PHE 120 N -2.00 -0.08 -0.00 1.61 -0.71 -1.26 -0.92 117.98 114.63 1r15 s PHE 120 Ca 0.00 0.02 -0.22 0.00 -1.04 0.00 0.00 56.93 55.68 1r15 s PHE 120 Cb 0.00 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 1r15 s PHE 120 CO 0.00 -0.41 0.66 1.21 -1.34 0.00 0.00 175.22 175.34 1r15 s ASN 121 N -1.67 7.04 0.00 1.98 3.84 -0.66 -4.68 114.94 120.79 1r15 s ASN 121 Ca -0.10 1.24 0.06 0.00 0.21 0.00 0.00 52.86 54.27 1r15 s ASN 121 Cb -0.04 -2.40 0.05 0.00 -0.55 0.00 0.00 41.25 38.32 1r15 s ASN 121 CO 0.00 0.04 0.72 -0.62 -2.79 0.00 0.00 177.10 174.45 1r15 n GLU 122 N 2.94 0.03 -0.13 0.43 1.02 -1.26 -4.57 120.64 119.11 1r15 n GLU 122 Ca -0.05 -0.91 -0.26 0.00 -0.02 0.00 0.00 57.16 55.92 1r15 n GLU 122 Cb 0.51 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 1r15 n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r15 n LYS 123 N 0.30 0.58 -3.63 3.49 5.02 -1.26 -4.76 118.16 117.90 1r15 n LYS 123 Ca 0.04 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1r15 n LYS 123 Cb 0.16 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1r15 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r15 s VAL 124 N -2.49 0.04 0.07 -0.18 0.11 -1.26 -4.48 120.40 112.21 1r15 s VAL 124 Ca -0.37 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1r15 s VAL 124 Cb 0.13 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1r15 s VAL 124 CO 0.50 -0.20 -0.20 0.00 -3.33 0.00 0.00 175.10 171.86 1r15 s PRO 126 N -1.49 1.83 0.43 0.00 0.04 -1.26 -3.32 135.00 131.22 1r15 s PRO 126 Ca 0.06 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 1r15 s PRO 126 Cb -0.09 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1r15 s PRO 126 CO 0.03 -2.02 1.01 0.34 0.04 0.00 0.00 177.00 176.39 1r15 s ASP 127 N -2.61 6.71 0.00 6.66 -1.08 -1.26 -4.77 116.67 120.33 1r15 s ASP 127 Ca 0.68 1.89 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 1r15 s ASP 127 Cb -0.23 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 1r15 s ASP 127 CO 0.52 -0.52 0.60 0.33 0.52 0.00 0.00 175.17 176.61 1r15 n PHE 128 N -0.49 0.00 0.24 -5.34 7.35 -1.26 -0.70 117.46 117.25 1r15 n PHE 128 Ca 0.07 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.89 1r15 n PHE 128 Cb 0.52 -0.26 0.51 0.00 0.35 0.00 0.00 39.48 40.60 1r15 n PHE 128 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1r15 h LYS 129 N 0.00 0.00 -0.17 -4.13 6.56 -2.00 -2.49 116.57 114.34 1r15 h LYS 129 Ca 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.45 1r15 h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1r15 h LYS 129 CO 0.00 0.00 -0.49 1.15 -2.06 0.00 0.00 179.45 178.05 1r15 h THR 130 N 0.00 1.32 -2.91 -0.16 2.02 -1.28 -3.46 112.91 108.44 1r15 h THR 130 Ca 0.08 -1.71 -0.49 0.00 0.77 0.00 0.00 66.41 65.06 1r15 h THR 130 Cb 1.40 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1r15 h THR 130 CO -0.00 0.53 -0.19 0.00 0.37 0.00 0.00 175.52 176.23 1r15 s PRO 132 N -4.07 2.86 0.19 0.00 0.04 -1.26 -4.66 135.00 128.09 1r15 s PRO 132 Ca 0.41 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1r15 s PRO 132 Cb -0.10 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1r15 s PRO 132 CO 0.34 -1.25 1.70 -0.39 0.04 0.00 0.00 177.00 177.45 1r15 h VAL 133 N 0.48 0.67 -0.24 -0.36 -1.51 -1.97 0.16 116.25 113.48 1r15 h VAL 133 Ca -0.49 -0.07 0.07 0.00 -1.23 0.00 0.00 66.70 64.98 1r15 h VAL 133 Cb 1.27 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1r15 h VAL 133 CO 0.54 0.04 0.30 0.06 -1.23 0.00 0.00 177.57 177.27 1r15 h GLN 134 N 0.20 0.00 0.04 5.19 -0.00 -1.91 0.49 115.11 119.12 1r15 h GLN 134 Ca 0.26 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.63 1r15 h GLN 134 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.83 1r15 h GLN 134 CO -0.37 0.00 -1.54 0.00 -0.00 0.00 0.00 178.83 176.92 1r15 n ALA 135 N -2.28 0.84 -0.29 0.06 0.00 -0.50 -2.81 120.51 115.52 1r15 n ALA 135 Ca 0.03 -0.55 0.06 0.00 0.00 0.00 0.00 53.44 52.98 1r15 n ALA 135 Cb 0.43 -0.56 0.21 0.00 0.00 0.00 0.00 19.45 19.53 1r15 n ALA 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r15 h ARG 136 N -0.69 0.62 -0.44 0.00 2.43 0.04 -1.54 114.38 114.80 1r15 h ARG 136 Ca -0.39 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1r15 h ARG 136 Cb 1.53 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1r15 h ARG 136 CO -0.14 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 179.12 1r15 n GLU 137 N -4.86 3.09 -0.22 0.20 1.02 0.16 -4.67 120.64 115.36 1r15 n GLU 137 Ca 0.16 -2.49 0.02 0.00 -0.02 0.00 0.00 57.16 54.83 1r15 n GLU 137 Cb 0.40 -1.58 0.13 0.00 -0.02 0.00 0.00 31.44 30.38 1r15 n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r15 h SER 138 N 2.72 0.21 0.00 1.62 0.87 -1.11 0.29 113.55 118.15 1r15 h SER 138 Ca 0.00 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1r15 h SER 138 Cb 1.09 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1r15 h SER 138 CO 0.11 0.11 -0.14 0.15 -0.53 0.00 0.00 176.83 176.52 1r15 h PHE 139 N 0.40 0.00 0.00 2.24 3.57 -1.83 -2.92 116.94 118.40 1r15 h PHE 139 Ca 0.34 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1r15 h PHE 139 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1r15 h PHE 139 CO -0.18 0.06 -0.20 -1.49 -2.23 0.00 0.00 178.31 174.27 1r15 h TRP 140 N -1.00 0.00 0.17 0.41 4.06 -1.88 0.17 115.95 117.88 1r15 h TRP 140 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1r15 h TRP 140 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1r15 h TRP 140 CO -0.04 0.20 -0.08 0.78 -3.56 0.00 0.00 178.44 175.74 1r15 h GLY 141 N 1.24 -0.24 0.90 1.49 0.00 -0.58 0.61 103.07 106.50 1r15 h GLY 141 Ca -0.00 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1r15 h GLY 141 CO 0.03 -0.09 0.25 1.98 0.00 0.00 0.00 176.54 178.71 1r15 h MET 142 N -0.59 0.49 -0.38 4.80 1.85 -1.28 0.41 114.93 120.23 1r15 h MET 142 Ca -0.02 -0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.11 1r15 h MET 142 Cb 0.44 -0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.30 1r15 h MET 142 CO 0.04 0.33 0.00 0.00 -0.40 0.00 0.00 176.91 176.88 1r15 h ALA 143 N 1.19 0.35 -0.85 0.39 0.00 -0.56 0.27 119.26 120.05 1r15 h ALA 143 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1r15 h ALA 143 Cb 0.01 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1r15 h ALA 143 CO -0.08 -0.39 0.55 0.77 0.00 0.00 0.00 179.25 180.10 1r15 h SER 144 N 0.10 0.98 0.42 0.00 0.02 -0.21 0.13 113.55 115.00 1r15 h SER 144 Ca 0.19 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1r15 h SER 144 Cb 0.26 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r15 h SER 144 CO -0.31 0.72 -0.20 0.28 -1.14 0.00 0.00 176.83 176.18 1r15 h SER 145 N 1.15 -0.48 -0.57 3.07 0.02 0.58 -0.38 113.55 116.94 1r15 h SER 145 Ca 0.31 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1r15 h SER 145 Cb -0.12 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1r15 h SER 145 CO -0.07 -0.23 0.23 -1.28 -1.14 0.00 0.00 176.83 174.35 1r15 h SER 146 N -0.71 0.26 0.51 3.07 0.87 -0.37 0.66 113.55 117.84 1r15 h SER 146 Ca -0.06 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1r15 h SER 146 Cb 0.51 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1r15 h SER 146 CO 0.09 0.17 -0.45 0.22 -0.53 0.00 0.00 176.83 176.34 1r15 h TYR 147 N 0.43 -1.22 -0.82 2.24 3.20 -0.79 -2.68 116.97 117.32 1r15 h TYR 147 Ca 0.28 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.24 1r15 h TYR 147 Cb 0.30 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 1r15 h TYR 147 CO -0.15 -0.62 0.48 0.00 -1.64 0.00 0.00 178.16 176.23 1r15 h ALA 148 N -0.70 1.17 -0.35 1.82 0.00 -0.58 -0.17 119.26 120.44 1r15 h ALA 148 Ca -0.06 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1r15 h ALA 148 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1r15 h ALA 148 CO -0.03 0.12 0.29 1.25 0.00 0.00 0.00 179.25 180.88 1r15 h HIS 149 N 0.81 0.00 -0.01 0.00 -0.00 -0.60 -1.13 115.15 114.22 1r15 h HIS 149 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.76 1r15 h HIS 149 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1r15 h HIS 149 CO -0.06 0.00 -0.08 0.43 -0.00 0.00 0.00 177.93 178.22 1r15 n SER 150 N -4.16 1.24 -4.77 3.26 7.64 -0.08 -4.55 113.62 112.20 1r15 n SER 150 Ca 0.05 -1.25 -0.39 0.00 1.01 0.00 0.00 58.87 58.29 1r15 n SER 150 Cb 0.46 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1r15 n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r15 s ALA 151 N -2.17 3.23 0.12 -0.43 0.00 -0.43 -4.09 121.76 117.99 1r15 s ALA 151 Ca 0.34 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.33 1r15 s ALA 151 Cb 0.20 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1r15 s ALA 151 CO 0.40 -0.48 -0.12 -1.21 0.00 0.00 0.00 175.76 174.34 1r15 s GLU 152 N -2.13 0.98 5.02 0.00 2.02 -1.26 -4.24 118.70 119.08 1r15 s GLU 152 Ca 0.54 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1r15 s GLU 152 Cb -0.32 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.17 1r15 s GLU 152 CO 0.40 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1r15 n GLY 153 N 0.43 1.99 3.77 -1.39 0.00 0.79 -1.60 105.19 109.18 1r15 n GLY 153 Ca -0.15 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1r15 n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r15 s GLU 154 N 0.00 4.19 0.06 1.61 2.02 -1.26 -0.73 118.70 124.58 1r15 s GLU 154 Ca 0.00 1.86 0.07 0.00 0.02 0.00 0.00 54.97 56.92 1r15 s GLU 154 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1r15 s GLU 154 CO 0.00 -0.21 -0.20 0.08 0.02 0.00 0.00 175.26 174.96 1r15 s VAL 155 N -1.35 1.57 0.00 2.63 1.01 -0.29 -3.23 120.40 120.74 1r15 s VAL 155 Ca 0.54 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1r15 s VAL 155 Cb -0.32 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1r15 s VAL 155 CO 0.40 0.11 -0.24 -0.89 0.00 0.00 0.00 175.10 174.48 1r15 s THR 156 N -0.90 1.88 -0.10 3.92 2.01 -0.39 -0.75 115.64 121.31 1r15 s THR 156 Ca 0.06 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 1r15 s THR 156 Cb -0.09 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1r15 s THR 156 CO 0.02 0.46 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.87 1r15 s TYR 157 N -0.62 1.36 -0.17 4.92 5.04 0.11 0.71 117.35 128.70 1r15 s TYR 157 Ca 0.09 -0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 54.02 1r15 s TYR 157 Cb -0.09 -1.15 -0.04 0.00 0.35 0.00 0.00 41.96 41.03 1r15 s TYR 157 CO -0.00 -0.46 0.03 1.41 -1.34 0.00 0.00 175.55 175.18 1r15 s MET 158 N 1.63 3.86 0.17 4.97 -2.45 0.36 0.07 119.30 127.90 1r15 s MET 158 Ca 0.03 -0.41 0.06 0.00 -1.25 0.00 0.00 55.69 54.11 1r15 s MET 158 Cb -0.13 -3.11 -0.05 0.00 1.25 0.00 0.00 34.83 32.80 1r15 s MET 158 CO -0.07 0.25 -0.11 0.14 1.05 0.00 0.00 175.02 176.28 1r15 s VAL 159 N 0.40 1.38 -0.33 10.11 -7.23 -0.28 -1.26 120.40 123.19 1r15 s VAL 159 Ca 0.00 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 57.84 1r15 s VAL 159 Cb -0.13 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.86 1r15 s VAL 159 CO 0.01 -0.67 0.71 -0.62 -0.31 0.00 0.00 175.10 174.22 1r15 s ASP 160 N -3.23 6.54 -0.10 4.85 -1.08 -1.22 -0.27 116.67 122.16 1r15 s ASP 160 Ca 0.19 0.42 0.18 0.00 -0.52 0.00 0.00 52.55 52.82 1r15 s ASP 160 Cb 0.02 -2.36 0.68 0.00 -1.46 0.00 0.00 42.92 39.80 1r15 s ASP 160 CO 0.03 -0.59 1.59 0.61 0.52 0.00 0.00 175.17 177.34 1r15 n GLY 161 N 4.43 2.82 0.43 2.66 0.00 0.90 -3.96 105.19 112.47 1r15 n GLY 161 Ca 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.27 1r15 n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r15 n SER 162 N 1.03 1.84 -4.13 1.61 7.64 -1.24 -0.54 113.62 119.84 1r15 n SER 162 Ca 0.25 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.43 1r15 n SER 162 Cb 0.85 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 1r15 n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r15 s ASN 163 N -2.89 5.22 0.53 6.43 3.04 -1.26 -4.83 114.94 121.19 1r15 s ASN 163 Ca 0.33 -1.93 0.26 0.00 0.04 0.00 0.00 52.86 51.56 1r15 s ASN 163 Cb 0.31 -1.82 1.42 0.00 -1.54 0.00 0.00 41.25 39.62 1r15 s ASN 163 CO -0.03 -0.51 1.98 1.55 -3.04 0.00 0.00 177.10 177.05 1r15 h PRO 164 N 8.05 0.00 0.00 0.43 0.13 -1.93 -2.04 132.00 136.64 1r15 h PRO 164 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1r15 h PRO 164 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1r15 h PRO 164 CO 0.68 0.00 -0.86 1.63 -0.23 0.00 0.00 178.00 179.22 1r15 n LYS 165 N -4.33 0.42 -3.74 0.86 5.02 -1.26 -4.82 118.16 110.31 1r15 n LYS 165 Ca 0.11 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 1r15 n LYS 165 Cb 0.66 -1.73 -0.16 0.00 -0.02 0.00 0.00 35.03 33.79 1r15 n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r15 s VAL 166 N -3.25 0.60 0.59 -0.18 1.01 -0.77 -5.12 120.40 113.28 1r15 s VAL 166 Ca 0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1r15 s VAL 166 Cb 0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1r15 s VAL 166 CO 0.76 -0.31 1.27 -0.81 0.00 0.00 0.00 175.10 176.02 1r15 n PRO 167 N 5.01 1.33 -0.21 2.72 -0.04 -1.26 -4.54 135.00 138.01 1r15 n PRO 167 Ca -0.08 0.50 -0.06 0.00 -0.04 0.00 0.00 63.50 63.82 1r15 n PRO 167 Cb 0.46 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1r15 n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r15 h ALA 168 N 0.92 -0.14 -3.52 0.55 0.00 -1.90 -3.38 119.26 111.80 1r15 h ALA 168 Ca -0.50 0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 1r15 h ALA 168 Cb 1.33 0.85 -0.19 0.00 0.00 0.00 0.00 17.79 19.79 1r15 h ALA 168 CO 0.54 -0.73 -0.67 -0.47 0.00 0.00 0.00 179.25 177.92 1r15 s TYR 169 N -5.94 3.00 -0.03 0.00 5.04 -1.26 -4.70 117.35 113.46 1r15 s TYR 169 Ca -0.14 -0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.47 1r15 s TYR 169 Cb 0.15 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.72 1r15 s TYR 169 CO 0.68 0.29 0.06 1.03 -1.34 0.00 0.00 175.55 176.28 1r15 s ARG 170 N -0.60 0.01 0.58 4.97 0.52 -1.26 -4.81 118.95 118.35 1r15 s ARG 170 Ca 0.09 0.23 0.28 0.00 -0.52 0.00 0.00 55.73 55.81 1r15 s ARG 170 Cb -0.12 -0.20 1.52 0.00 0.52 0.00 0.00 34.95 36.67 1r15 s ARG 170 CO 0.02 -0.15 1.98 -1.35 0.02 0.00 0.00 175.30 175.81 1r15 h PRO 171 N 7.17 0.00 -0.63 3.54 0.11 -1.99 -2.73 132.00 137.47 1r15 h PRO 171 Ca -0.43 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.23 1r15 h PRO 171 Cb 1.13 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.93 1r15 h PRO 171 CO 0.46 0.00 -0.45 -0.40 -0.21 0.00 0.00 178.00 177.40 1r15 n ASP 172 N -3.86 4.54 -4.96 -2.05 5.75 -1.26 -2.82 116.55 111.89 1r15 n ASP 172 Ca 0.07 -3.78 -0.23 0.00 -0.01 0.00 0.00 54.79 50.84 1r15 n ASP 172 Cb 0.56 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1r15 n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r15 s SER 173 N -3.17 5.79 0.50 -1.12 1.04 -1.03 -4.83 113.70 110.88 1r15 s SER 173 Ca 0.50 0.23 0.20 0.00 0.48 0.00 0.00 55.95 57.37 1r15 s SER 173 Cb 0.42 -1.46 1.27 0.00 0.10 0.00 0.00 66.02 66.35 1r15 s SER 173 CO 0.01 -0.73 2.02 -0.26 0.98 0.00 0.00 173.24 175.27 1r15 h PHE 174 N 0.40 0.12 0.20 5.02 -1.00 -1.92 0.23 116.94 119.99 1r15 h PHE 174 Ca -0.46 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 1r15 h PHE 174 Cb 1.26 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.78 1r15 h PHE 174 CO 0.44 0.06 -0.10 0.35 -1.61 0.00 0.00 178.31 177.46 1r15 h PHE 175 N 0.11 -0.25 0.00 -0.55 3.57 -1.89 0.18 116.94 118.12 1r15 h PHE 175 Ca 0.21 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1r15 h PHE 175 Cb 0.70 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1r15 h PHE 175 CO -0.00 0.04 -0.21 0.78 -2.23 0.00 0.00 178.31 176.70 1r15 h GLY 176 N -0.54 0.00 0.45 2.40 0.00 -1.37 0.95 103.07 104.96 1r15 h GLY 176 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.02 1r15 h GLY 176 CO 0.04 0.00 -1.48 0.50 0.00 0.00 0.00 176.54 175.60 1r15 h LYS 177 N 0.00 0.20 0.00 4.80 1.57 -0.43 -3.41 116.57 119.29 1r15 h LYS 177 Ca -0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1r15 h LYS 177 Cb 0.53 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1r15 h LYS 177 CO 0.03 1.16 -0.98 0.66 -0.57 0.00 0.00 179.45 179.74 1r15 n TYR 178 N -3.94 0.00 -0.01 -1.35 4.01 0.61 -4.74 117.16 111.73 1r15 n TYR 178 Ca -0.28 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1r15 n TYR 178 Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1r15 n TYR 178 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1r15 h GLU 179 N 0.00 0.00 -0.58 -0.72 5.08 -0.82 -3.34 114.58 114.20 1r15 h GLU 179 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1r15 h GLU 179 Cb 0.66 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1r15 h GLU 179 CO 0.00 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.20 1r15 h LEU 180 N -0.16 -0.38 -1.57 1.33 5.85 -1.16 -0.58 115.31 118.65 1r15 h LEU 180 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1r15 h LEU 180 Cb 0.04 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1r15 h LEU 180 CO 0.00 -0.15 0.00 -0.65 -0.34 0.00 0.00 178.44 177.30 1r15 h PRO 181 N 0.06 0.00 -0.27 5.25 0.11 -1.79 -2.65 132.00 132.71 1r15 h PRO 181 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1r15 h PRO 181 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1r15 h PRO 181 CO -0.54 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.34 1r15 n ASN 182 N -2.53 3.09 -4.70 -2.05 3.02 -0.24 -4.94 115.26 106.91 1r15 n ASN 182 Ca -0.01 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1r15 n ASN 182 Cb 0.13 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1r15 n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r15 s LEU 183 N -1.40 4.37 0.79 3.41 1.43 -1.00 -3.70 118.68 122.57 1r15 s LEU 183 Ca 0.31 2.51 -0.09 0.00 -1.03 0.00 0.00 54.13 55.83 1r15 s LEU 183 Cb 0.19 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.95 1r15 s LEU 183 CO 0.27 -0.83 1.12 0.42 0.23 0.00 0.00 176.35 177.55 1r15 s THR 184 N 1.82 2.14 -1.64 5.49 -4.23 -1.26 -4.93 115.64 113.03 1r15 s THR 184 Ca 0.71 -0.24 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1r15 s THR 184 Cb -0.41 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 70.82 1r15 s THR 184 CO 0.31 0.00 1.31 -0.46 -0.54 0.00 0.00 174.62 175.24 1r15 n ASN 185 N -3.19 0.00 0.17 3.99 6.94 -1.26 -1.04 115.26 120.87 1r15 n ASN 185 Ca 0.12 -0.10 0.13 0.00 -0.02 0.00 0.00 54.58 54.71 1r15 n ASN 185 Cb 0.60 -0.18 0.39 0.00 -2.36 0.00 0.00 39.78 38.23 1r15 n ASN 185 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1r15 h LYS 186 N 0.00 0.00 -6.44 -3.83 1.57 -1.92 -3.43 116.57 102.52 1r15 h LYS 186 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1r15 h LYS 186 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1r15 h LYS 186 CO 0.00 0.00 0.24 0.08 -0.57 0.00 0.00 179.45 179.20 1r15 s VAL 187 N -3.25 4.57 -0.24 0.50 1.01 -0.21 -0.15 120.40 122.64 1r15 s VAL 187 Ca 0.07 1.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 1r15 s VAL 187 Cb 0.09 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 1r15 s VAL 187 CO 0.58 0.38 -0.22 0.41 0.00 0.00 0.00 175.10 176.24 1r15 n THR 188 N 2.58 1.52 -4.03 3.92 -1.04 0.09 -4.82 114.28 112.50 1r15 n THR 188 Ca -0.01 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1r15 n THR 188 Cb 0.49 -2.03 -0.09 0.00 -1.82 0.00 0.00 70.33 66.88 1r15 n THR 188 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1r15 s ARG 189 N -2.53 0.82 -0.26 -2.82 3.52 -1.24 -1.67 118.95 114.77 1r15 s ARG 189 Ca -0.33 -1.20 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1r15 s ARG 189 Cb 0.10 0.27 0.07 0.00 -1.56 0.00 0.00 34.95 33.84 1r15 s ARG 189 CO 0.48 -0.23 0.00 0.08 -0.81 0.00 0.00 175.30 174.83 1r15 s VAL 190 N -3.94 1.37 -0.22 7.11 1.01 -0.67 -1.13 120.40 123.92 1r15 s VAL 190 Ca 0.12 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 1r15 s VAL 190 Cb 0.06 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1r15 s VAL 190 CO -0.06 -0.31 0.29 -0.54 0.00 0.00 0.00 175.10 174.48 1r15 s LYS 191 N 1.43 4.14 -0.05 2.72 1.02 0.07 -2.01 119.74 127.05 1r15 s LYS 191 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 1r15 s LYS 191 Cb -0.18 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1r15 s LYS 191 CO -0.11 0.03 0.06 0.08 -0.92 0.00 0.00 175.35 174.49 1r15 s VAL 192 N 1.14 4.71 -0.20 3.17 1.01 -0.14 -0.71 120.40 129.38 1r15 s VAL 192 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1r15 s VAL 192 Cb -0.14 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1r15 s VAL 192 CO 0.06 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 174.91 1r15 s ILE 193 N -1.05 1.69 -0.14 2.22 1.01 0.11 -1.39 121.20 123.64 1r15 s ILE 193 Ca 0.18 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1r15 s ILE 193 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1r15 s ILE 193 CO 0.08 0.17 0.39 -0.69 0.00 0.00 0.00 174.94 174.89 1r15 s VAL 194 N 1.37 5.24 -0.23 2.92 1.01 0.42 -1.12 120.40 130.02 1r15 s VAL 194 Ca -0.01 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 1r15 s VAL 194 Cb -0.16 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1r15 s VAL 194 CO -0.08 0.34 0.14 -0.22 0.00 0.00 0.00 175.10 175.28 1r15 s LEU 195 N 0.62 4.06 -0.69 3.92 0.20 0.63 -1.37 118.68 126.06 1r15 s LEU 195 Ca 0.21 0.11 -0.06 0.00 0.69 0.00 0.00 54.13 55.09 1r15 s LEU 195 Cb -0.14 -2.08 0.18 0.00 -0.43 0.00 0.00 46.19 43.72 1r15 s LEU 195 CO 0.07 0.09 0.53 -1.00 -0.29 0.00 0.00 176.35 175.75 1r15 s HIS 196 N 0.92 3.50 0.20 5.38 3.76 -1.26 -0.07 115.29 127.71 1r15 s HIS 196 Ca 0.07 -2.56 -0.29 0.00 -0.15 0.00 0.00 55.06 52.13 1r15 s HIS 196 Cb -0.13 -3.35 -0.17 0.00 1.11 0.00 0.00 32.58 30.04 1r15 s HIS 196 CO 0.03 -0.87 0.67 0.54 -0.85 0.00 0.00 174.74 174.26 1r15 n ARG 197 N 3.55 0.27 -1.95 1.40 1.74 -1.26 -4.81 116.66 115.60 1r15 n ARG 197 Ca 0.10 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1r15 n ARG 197 Cb 0.40 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1r15 n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r15 s LEU 198 N 2.24 4.37 -1.37 0.55 1.43 -1.26 -2.83 118.68 121.81 1r15 s LEU 198 Ca 0.66 2.82 -0.05 0.00 -1.03 0.00 0.00 54.13 56.52 1r15 s LEU 198 Cb -0.92 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 41.67 1r15 s LEU 198 CO 0.57 -0.74 0.70 0.61 0.23 0.00 0.00 176.35 177.72 1r15 n GLY 199 N 1.39 -0.41 2.98 -3.19 0.00 -1.26 -5.01 105.19 99.70 1r15 n GLY 199 Ca 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1r15 n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r15 s GLU 200 N -5.76 0.77 0.18 1.61 0.41 -1.13 -5.10 118.70 109.67 1r15 s GLU 200 Ca 0.35 -0.26 -0.33 0.00 -0.41 0.00 0.00 54.97 54.32 1r15 s GLU 200 Cb -0.15 -0.74 -0.14 0.00 -1.78 0.00 0.00 34.13 31.32 1r15 s GLU 200 CO 0.43 0.11 1.56 1.17 -0.49 0.00 0.00 175.26 178.04 1r15 n LYS 201 N 3.20 2.16 -2.26 1.61 4.81 -1.26 -4.84 118.16 121.58 1r15 n LYS 201 Ca -0.17 0.78 -0.42 0.00 -0.87 0.00 0.00 58.31 57.63 1r15 n LYS 201 Cb 0.55 -2.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.04 1r15 n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1r15 s ILE 202 N 0.76 3.45 -0.15 3.15 1.01 -1.26 -4.68 121.20 123.47 1r15 s ILE 202 Ca 0.77 1.10 -0.06 0.00 0.00 0.00 0.00 60.65 62.46 1r15 s ILE 202 Cb -0.67 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 1r15 s ILE 202 CO 0.40 0.12 -0.19 -0.38 0.00 0.00 0.00 174.94 174.89 1r15 n ILE 203 N 3.42 0.85 -4.22 2.92 2.08 0.30 -5.00 119.36 119.71 1r15 n ILE 203 Ca 0.09 -0.24 -0.30 0.00 0.56 0.00 0.00 62.75 62.86 1r15 n ILE 203 Cb 0.43 -1.56 -0.09 0.00 -0.75 0.00 0.00 39.64 37.67 1r15 n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r15 s GLU 204 N -2.29 2.29 0.03 0.38 0.41 0.12 -5.01 118.70 114.63 1r15 s GLU 204 Ca -0.21 -0.94 -0.02 0.00 -0.41 0.00 0.00 54.97 53.39 1r15 s GLU 204 Cb 0.08 -2.39 -0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1r15 s GLU 204 CO 0.29 0.53 -0.00 0.15 -0.49 0.00 0.00 175.26 175.73 1r15 s LYS 205 N -2.17 0.44 0.59 1.61 1.02 -1.26 -4.85 119.74 115.12 1r15 s LYS 205 Ca 0.22 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.25 1r15 s LYS 205 Cb -0.11 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1r15 s LYS 205 CO 0.15 -0.08 1.24 0.00 -0.92 0.00 0.00 175.35 175.73 1r15 n GLY 207 N 0.94 0.25 3.22 0.00 0.00 -1.26 -4.93 105.19 103.40 1r15 n GLY 207 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1r15 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r15 s ALA 208 N -1.60 1.23 0.00 4.61 0.00 -0.82 -4.59 121.76 120.59 1r15 s ALA 208 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1r15 s ALA 208 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1r15 s ALA 208 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1r15 n GLY 209 N -0.16 2.51 0.21 0.00 0.00 -1.26 -1.67 105.19 104.82 1r15 n GLY 209 Ca -0.09 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.81 1r15 n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r15 h SER 210 N 2.09 0.00 -0.27 1.61 4.64 -1.91 -2.31 113.55 117.40 1r15 h SER 210 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1r15 h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1r15 h SER 210 CO 0.00 0.29 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.13 1r15 h LEU 211 N 0.00 0.61 -0.55 5.97 -0.00 -1.59 0.13 115.31 119.88 1r15 h LEU 211 Ca -0.00 -0.15 -0.13 0.00 -0.00 0.00 0.00 57.88 57.60 1r15 h LEU 211 Cb 0.61 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1r15 h LEU 211 CO 0.04 0.72 -0.23 0.25 -0.00 0.00 0.00 178.44 179.21 1r15 h LEU 212 N 0.59 0.94 -0.40 1.67 7.12 -0.82 -1.19 115.31 123.22 1r15 h LEU 212 Ca 0.11 -0.36 -0.08 0.00 0.13 0.00 0.00 57.88 57.68 1r15 h LEU 212 Cb 0.46 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1r15 h LEU 212 CO 0.02 1.13 -0.07 0.44 -0.13 0.00 0.00 178.44 179.83 1r15 h ASP 213 N 0.79 0.75 -0.52 1.25 3.32 -0.92 -2.73 116.42 118.36 1r15 h ASP 213 Ca 0.10 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1r15 h ASP 213 Cb 0.79 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1r15 h ASP 213 CO 0.07 0.93 0.32 0.25 -1.72 0.00 0.00 179.24 179.08 1r15 h LEU 214 N 0.57 0.62 -0.39 1.55 5.85 -0.67 0.15 115.31 123.00 1r15 h LEU 214 Ca 0.11 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1r15 h LEU 214 Cb 0.58 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1r15 h LEU 214 CO 0.03 0.49 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.53 1r15 h GLU 215 N 0.70 0.08 -0.05 1.25 4.81 -1.05 0.72 114.58 121.04 1r15 h GLU 215 Ca 0.19 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1r15 h GLU 215 Cb -0.02 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1r15 h GLU 215 CO -0.04 0.05 0.03 0.87 -0.73 0.00 0.00 179.01 179.20 1r15 h LYS 216 N 0.08 0.07 -1.00 1.92 1.57 -1.14 -0.14 116.57 117.94 1r15 h LYS 216 Ca 0.19 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.08 1r15 h LYS 216 Cb 0.27 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.48 1r15 h LYS 216 CO -0.33 0.12 0.63 1.25 -0.57 0.00 0.00 179.45 180.55 1r15 h LEU 217 N 0.01 0.92 0.07 2.94 5.85 -0.02 0.25 115.31 125.32 1r15 h LEU 217 Ca 0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1r15 h LEU 217 Cb 0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1r15 h LEU 217 CO -0.00 0.49 -0.03 0.58 -0.34 0.00 0.00 178.44 179.13 1r15 h VAL 218 N 0.99 1.24 -0.13 1.05 2.07 0.84 -2.46 116.25 119.84 1r15 h VAL 218 Ca 0.49 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1r15 h VAL 218 Cb 0.49 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1r15 h VAL 218 CO -0.26 0.30 0.10 0.11 0.02 0.00 0.00 177.57 177.84 1r15 h LYS 219 N -0.68 0.00 -0.01 1.57 1.57 -0.67 0.09 116.57 118.45 1r15 h LYS 219 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1r15 h LYS 219 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1r15 h LYS 219 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 1r15 h ALA 220 N 1.92 0.01 0.00 3.86 0.00 -0.34 0.09 119.26 124.80 1r15 h ALA 220 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r15 h ALA 220 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r15 h ALA 220 CO -0.00 -0.44 0.00 1.63 0.00 0.00 0.00 179.25 180.44 1r15 n LYS 221 N -5.04 0.53 -2.89 0.00 5.02 -0.01 -4.82 118.16 110.95 1r15 n LYS 221 Ca -0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 1r15 n LYS 221 Cb 0.07 -1.16 0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1r15 n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r15 n HIS 222 N -0.66 -1.34 -4.41 2.13 8.25 0.02 -5.02 115.22 114.18 1r15 n HIS 222 Ca 0.04 0.55 -0.25 0.00 -0.26 0.00 0.00 57.72 57.80 1r15 n HIS 222 Cb 0.02 -3.64 -0.11 0.00 1.12 0.00 0.00 29.99 27.37 1r15 n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r15 s PHE 223 N -3.20 2.18 0.76 4.41 0.08 -1.06 -4.99 117.98 116.15 1r15 s PHE 223 Ca 0.08 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.63 1r15 s PHE 223 Cb -0.04 -1.05 0.05 0.00 -0.57 0.00 0.00 43.02 41.41 1r15 s PHE 223 CO 0.41 0.50 1.11 0.00 -0.10 0.00 0.00 175.22 177.15 1r15 s ALA 224 N -1.93 2.61 -0.05 5.36 0.00 -0.67 -4.03 121.76 123.04 1r15 s ALA 224 Ca 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1r15 s ALA 224 Cb -0.07 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1r15 s ALA 224 CO 0.10 -1.46 0.13 0.12 0.00 0.00 0.00 175.76 174.65 1r15 s PHE 225 N -3.33 -0.14 0.24 0.00 5.36 -1.26 -1.67 117.98 117.17 1r15 s PHE 225 Ca 0.60 0.38 0.05 0.00 -0.96 0.00 0.00 56.93 57.00 1r15 s PHE 225 Cb -0.12 -0.03 -0.05 0.00 -0.34 0.00 0.00 43.02 42.48 1r15 s PHE 225 CO 0.52 -0.11 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.62 1r15 s ASP 226 N 0.61 2.21 -0.28 6.13 1.01 -0.85 -4.98 116.67 120.52 1r15 s ASP 226 Ca -0.05 -1.17 -0.20 0.00 0.71 0.00 0.00 52.55 51.84 1r15 s ASP 226 Cb -0.06 -0.07 0.09 0.00 1.01 0.00 0.00 42.92 43.90 1r15 s ASP 226 CO -0.03 -0.41 0.80 0.00 0.21 0.00 0.00 175.17 175.74 1r15 s VAL 228 N 0.95 0.06 -0.18 0.00 -7.23 -0.48 -4.94 120.40 108.58 1r15 s VAL 228 Ca -0.04 -0.51 -0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1r15 s VAL 228 Cb -0.05 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 1r15 s VAL 228 CO -0.10 -0.28 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.79 1r15 s GLU 229 N -0.88 3.66 -1.13 4.82 2.02 -1.26 -0.43 118.70 125.50 1r15 s GLU 229 Ca -0.10 -0.51 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 1r15 s GLU 229 Cb -0.06 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.18 1r15 s GLU 229 CO 0.00 0.11 0.67 0.09 0.02 0.00 0.00 175.26 176.14 1r15 n ASN 230 N 3.95 -4.29 -4.76 -0.19 4.13 -0.47 -4.86 115.26 108.77 1r15 n ASN 230 Ca -0.17 -1.23 -0.39 0.00 1.68 0.00 0.00 54.58 54.46 1r15 n ASN 230 Cb 0.52 -1.64 0.03 0.00 -1.54 0.00 0.00 39.78 37.15 1r15 n ASN 230 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1r15 s PRO 231 N -6.91 3.38 0.27 3.52 0.04 -1.26 -4.46 135.00 129.58 1r15 s PRO 231 Ca 0.39 2.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.76 1r15 s PRO 231 Cb -0.21 -2.45 0.59 0.00 0.04 0.00 0.00 34.50 32.46 1r15 s PRO 231 CO 0.96 -1.04 1.66 0.00 0.04 0.00 0.00 177.00 178.62 1r15 h ARG 232 N 1.86 0.21 -0.64 4.56 3.08 -1.98 0.93 114.38 122.39 1r15 h ARG 232 Ca -0.51 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.65 1r15 h ARG 232 Cb 1.29 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 1r15 h ARG 232 CO 0.59 0.14 0.17 0.00 -1.07 0.00 0.00 179.97 179.80 1r15 h ALA 233 N 1.72 0.80 -0.13 0.04 0.00 -2.00 -0.77 119.26 118.90 1r15 h ALA 233 Ca 0.49 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.41 1r15 h ALA 233 Cb 0.92 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1r15 h ALA 233 CO -0.61 -0.29 -0.39 0.28 0.00 0.00 0.00 179.25 178.25 1r15 h VAL 234 N 0.30 1.36 -0.50 0.00 2.07 -1.25 -3.08 116.25 115.15 1r15 h VAL 234 Ca 0.34 -1.68 0.10 0.00 0.82 0.00 0.00 66.70 66.28 1r15 h VAL 234 Cb 0.51 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 1r15 h VAL 234 CO -0.41 0.50 -0.00 0.25 0.02 0.00 0.00 177.57 177.93 1r15 h LEU 235 N 0.11 -0.22 -1.48 2.57 5.85 -0.40 0.11 115.31 121.85 1r15 h LEU 235 Ca -0.01 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1r15 h LEU 235 Cb 1.01 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1r15 h LEU 235 CO 0.08 -0.07 0.44 -0.26 -0.34 0.00 0.00 178.44 178.29 1r15 h PHE 236 N 0.11 0.64 -0.56 1.25 0.04 -1.18 0.66 116.94 117.89 1r15 h PHE 236 Ca 0.25 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.99 1r15 h PHE 236 Cb 0.38 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1r15 h PHE 236 CO -0.31 0.33 0.15 1.25 -0.60 0.00 0.00 178.31 179.12 1r15 h LEU 237 N 0.62 0.85 -0.66 1.54 5.85 -0.72 -1.90 115.31 120.88 1r15 h LEU 237 Ca 0.29 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1r15 h LEU 237 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1r15 h LEU 237 CO -0.09 0.85 0.24 -0.07 -0.34 0.00 0.00 178.44 179.03 1r15 h LEU 238 N 0.80 0.93 -1.54 2.25 3.38 -0.22 -2.65 115.31 118.27 1r15 h LEU 238 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1r15 h LEU 238 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1r15 h LEU 238 CO -0.00 0.86 0.18 0.00 0.09 0.00 0.00 178.44 179.57 1r15 h SER 240 N 0.49 0.48 0.65 0.00 0.87 -0.97 0.17 113.55 115.25 1r15 h SER 240 Ca 0.13 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1r15 h SER 240 Cb 0.04 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1r15 h SER 240 CO -0.02 0.30 -0.03 0.47 -0.53 0.00 0.00 176.83 177.01 1r15 n ASP 241 N -4.84 0.08 -2.86 6.23 9.92 -1.05 -4.32 116.55 119.71 1r15 n ASP 241 Ca 0.09 -0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.23 1r15 n ASP 241 Cb 0.22 -0.29 -0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1r15 n ASP 241 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1r15 n ASN 242 N -1.31 -2.83 -0.14 -2.24 4.05 -0.52 -5.02 115.26 107.25 1r15 n ASN 242 Ca 0.12 -2.90 0.01 0.00 0.45 0.00 0.00 54.58 52.26 1r15 n ASN 242 Cb 0.27 1.36 0.28 0.00 1.23 0.00 0.00 39.78 42.93 1r15 n ASN 242 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1r15 h PRO 243 N 4.89 0.84 0.00 1.20 0.11 -1.20 -2.88 132.00 134.95 1r15 h PRO 243 Ca 0.05 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1r15 h PRO 243 Cb 1.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1r15 h PRO 243 CO 0.13 0.60 -0.19 -0.91 -0.21 0.00 0.00 178.00 177.42 1r15 h ASN 244 N 0.86 0.00 -0.91 -2.05 4.21 -1.96 -3.44 115.58 112.29 1r15 h ASN 244 Ca 0.22 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 57.09 1r15 h ASN 244 Cb -0.03 0.00 0.08 0.00 -1.12 0.00 0.00 38.32 37.26 1r15 h ASN 244 CO -0.04 0.19 -0.32 0.00 -1.29 0.00 0.00 177.43 175.96 1r15 n ALA 245 N -2.20 -2.92 -0.17 -0.83 0.00 -1.09 -4.80 120.51 108.50 1r15 n ALA 245 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.94 1r15 n ALA 245 Cb 0.41 -1.51 0.34 0.00 0.00 0.00 0.00 19.45 18.69 1r15 n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r15 h ARG 246 N 1.47 0.76 0.00 0.00 1.12 -1.91 -1.45 114.38 114.37 1r15 h ARG 246 Ca -0.32 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1r15 h ARG 246 Cb 1.31 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1r15 h ARG 246 CO 0.54 0.50 0.00 0.39 -3.11 0.00 0.00 179.97 178.30 1r15 n GLU 247 N -4.47 0.46 -0.09 0.20 4.71 -1.26 -2.58 120.64 117.61 1r15 n GLU 247 Ca 0.09 0.05 0.07 0.00 -0.01 0.00 0.00 57.16 57.36 1r15 n GLU 247 Cb 0.18 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.21 1r15 n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r15 n ARG 249 N 0.73 1.83 -2.92 0.00 1.74 -1.07 -4.92 116.66 112.06 1r15 n ARG 249 Ca 0.10 0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 57.45 1r15 n ARG 249 Cb 0.38 -2.40 -0.05 0.00 -1.02 0.00 0.00 32.46 29.37 1r15 n ARG 249 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r15 s LEU 250 N 0.99 4.54 0.00 0.55 1.43 -1.26 -5.15 118.68 119.78 1r15 s LEU 250 Ca 0.82 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1r15 s LEU 250 Cb -0.77 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1r15 s LEU 250 CO 0.42 0.10 0.23 0.00 0.23 0.00 0.00 176.35 177.33