#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 5.26 0.63 9.51 0.11 -1.26 -1.29 120.40 133.36 1r15 s VAL 2 Ca 0.00 0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 59.51 1r15 s VAL 2 Cb 0.00 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1r15 s VAL 2 CO 0.00 0.34 1.18 -2.16 -3.33 0.00 0.00 175.10 171.13 1r15 s PRO 3 N 0.74 2.81 0.25 1.54 0.04 -1.26 -4.82 135.00 134.30 1r15 s PRO 3 Ca 0.18 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 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 0.06 -1.30 1.43 0.99 0.04 0.00 0.00 177.00 178.21 1r15 s THR 4 N -1.84 2.70 0.56 1.26 2.01 0.62 -4.94 115.64 116.01 1r15 s THR 4 Ca 0.74 0.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.15 1r15 s THR 4 Cb -0.27 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1r15 s THR 4 CO 0.36 0.09 1.07 -0.13 -0.69 0.00 0.00 174.62 175.33 1r15 s ARG 5 N -0.36 3.39 -1.59 4.92 0.52 -1.26 -3.74 118.95 120.84 1r15 s ARG 5 Ca 0.59 1.36 -0.05 0.00 -0.52 0.00 0.00 55.73 57.10 1r15 s ARG 5 Cb -0.41 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.07 1r15 s ARG 5 CO 0.43 -0.77 0.23 0.39 0.02 0.00 0.00 175.30 175.60 1r15 n GLU 6 N -1.63 -1.51 -0.39 3.54 1.02 -1.26 -4.72 120.64 115.69 1r15 n GLU 6 Ca 0.10 0.18 -0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1r15 n GLU 6 Cb 0.52 -4.06 -0.00 0.00 -0.02 0.00 0.00 31.44 27.88 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 -1.63 -1.66 -0.50 -4.62 5.85 -1.97 -0.34 115.31 110.44 1r15 h LEU 7 Ca -0.64 0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1r15 h LEU 7 Cb 1.39 0.82 -0.08 0.00 0.37 0.00 0.00 40.66 43.16 1r15 h LEU 7 CO 0.73 -0.27 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.70 1r15 h GLU 8 N -0.00 -0.28 -0.20 1.25 4.39 -1.94 0.30 114.58 118.10 1r15 h GLU 8 Ca 0.29 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.02 1r15 h GLU 8 Cb 0.54 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1r15 h GLU 8 CO -0.98 -0.19 0.09 -0.91 -1.16 0.00 0.00 179.01 175.86 1r15 h ASN 9 N -0.29 0.12 -0.29 1.42 2.35 -1.57 0.65 115.58 117.96 1r15 h ASN 9 Ca 0.09 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1r15 h ASN 9 Cb 0.52 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1r15 h ASN 9 CO -0.63 0.10 0.05 0.58 -1.65 0.00 0.00 177.43 175.88 1r15 h VAL 10 N 0.19 0.86 0.39 2.81 2.07 -0.59 0.75 116.25 122.73 1r15 h VAL 10 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1r15 h VAL 10 Cb 0.03 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1r15 h VAL 10 CO -0.07 0.03 -0.39 0.15 0.02 0.00 0.00 177.57 177.31 1r15 h PHE 11 N 0.16 -1.05 -0.88 1.57 3.04 -0.08 0.11 116.94 119.81 1r15 h PHE 11 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1r15 h PHE 11 Cb 0.15 0.41 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 1r15 h PHE 11 CO -0.17 -0.54 0.56 -0.07 -2.02 0.00 0.00 178.31 176.07 1r15 h LEU 12 N -0.79 1.04 0.12 0.59 3.38 -0.61 0.24 115.31 119.28 1r15 h LEU 12 Ca -0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1r15 h LEU 12 Cb 0.71 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1r15 h LEU 12 CO -0.06 0.78 -0.06 1.23 0.09 0.00 0.00 178.44 180.41 1r15 h GLY 13 N 1.21 -0.17 1.20 0.83 0.00 0.81 0.31 103.07 107.26 1r15 h GLY 13 Ca 0.32 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1r15 h GLY 13 CO -0.06 -0.06 0.51 3.21 0.00 0.00 0.00 176.54 180.14 1r15 h ARG 14 N -0.40 1.00 0.26 4.80 3.08 -0.52 -0.36 114.38 122.24 1r15 h ARG 14 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1r15 h ARG 14 Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1r15 h ARG 14 CO 0.03 0.66 -0.13 0.00 -1.07 0.00 0.00 179.97 179.46 1r15 h LYS 16 N -0.51 0.66 -0.84 0.00 1.63 -0.62 0.51 116.57 117.40 1r15 h LYS 16 Ca -0.04 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.81 1r15 h LYS 16 Cb 0.38 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 31.79 1r15 h LYS 16 CO 0.06 0.44 0.50 0.22 -3.45 0.00 0.00 179.45 177.21 1r15 h ASP 17 N 0.68 0.73 0.66 4.20 3.58 -0.98 -1.45 116.42 123.83 1r15 h ASP 17 Ca 0.20 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 1r15 h ASP 17 Cb -0.04 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 40.91 1r15 h ASP 17 CO -0.06 0.42 -0.32 0.22 -2.88 0.00 0.00 179.24 176.63 1r15 h TYR 18 N 0.84 -0.82 -0.76 0.28 5.03 -0.46 -0.66 116.97 120.43 1r15 h TYR 18 Ca 0.40 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.76 1r15 h TYR 18 Cb 0.33 0.27 -0.09 0.00 1.55 0.00 0.00 36.73 38.79 1r15 h TYR 18 CO -0.05 -0.49 -0.45 -1.91 -1.32 0.00 0.00 178.16 173.95 1r15 n GLU 19 N -5.37 -0.33 0.12 1.82 2.13 0.09 -1.35 120.64 117.75 1r15 n GLU 19 Ca -0.12 1.36 -0.02 0.00 0.66 0.00 0.00 57.16 59.05 1r15 n GLU 19 Cb 0.36 -2.01 0.11 0.00 0.27 0.00 0.00 31.44 30.17 1r15 n GLU 19 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1r15 h ILE 20 N 0.00 1.44 0.00 6.31 1.08 -1.33 -3.42 117.51 121.59 1r15 h ILE 20 Ca 0.12 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 1r15 h ILE 20 Cb 0.31 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1r15 h ILE 20 CO -0.71 0.67 0.00 0.35 -0.69 0.00 0.00 178.15 177.77 1r15 n THR 21 N -3.65 0.00 -0.05 -0.27 -2.24 -0.26 -4.99 114.28 102.82 1r15 n THR 21 Ca -0.01 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1r15 n THR 21 Cb 0.69 1.60 -0.00 0.00 -2.10 0.00 0.00 70.33 70.52 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 -0.98 -0.78 2.47 -1.18 -3.40 114.38 110.51 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 -4.74 2.57 -0.32 3.04 4.02 -1.26 -4.87 117.16 115.59 1r15 n TYR 23 Ca -0.01 -2.56 0.24 0.00 -0.01 0.00 0.00 57.90 55.56 1r15 n TYR 23 Cb 0.05 -0.25 0.46 0.00 -0.02 0.00 0.00 39.34 39.58 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 -0.55 0.15 0.07 7.72 4.77 -1.26 -0.39 117.00 127.51 1r15 n LEU 24 Ca 0.33 1.64 0.11 0.00 -0.03 0.00 0.00 56.01 58.07 1r15 n LEU 24 Cb 0.83 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1r15 n LEU 24 CO 0.32 -1.76 -0.11 0.47 -1.33 0.00 0.00 177.39 174.98 1r15 n ASP 25 N -5.31 0.65 -0.04 -1.43 8.00 -1.26 -4.47 116.55 112.69 1r15 n ASP 25 Ca 0.31 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.79 1r15 n ASP 25 Cb 1.05 0.76 -0.13 0.00 -0.02 0.00 0.00 41.12 42.78 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 -2.47 1.69 -4.44 0.53 -0.00 0.48 -4.98 119.36 110.17 1r15 n ILE 26 Ca -0.00 -0.60 -0.26 0.00 -0.00 0.00 0.00 62.75 61.89 1r15 n ILE 26 Cb 0.53 -1.67 -0.13 0.00 -0.00 0.00 0.00 39.64 38.37 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 -6.95 2.26 0.68 1.39 1.43 -0.16 -4.67 118.68 112.66 1r15 s LEU 27 Ca -0.26 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.04 1r15 s LEU 27 Cb 0.07 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1r15 s LEU 27 CO 0.71 0.12 1.12 -2.84 0.23 0.00 0.00 176.35 175.69 1r15 s PRO 28 N -1.71 2.65 0.49 1.29 0.02 -1.26 -4.51 135.00 131.97 1r15 s PRO 28 Ca 0.09 1.39 -0.15 0.00 0.02 0.00 0.00 61.00 62.35 1r15 s PRO 28 Cb -0.10 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 1r15 s PRO 28 CO 0.04 -1.37 0.93 1.03 -0.33 0.00 0.00 177.00 177.30 1r15 s ARG 29 N -4.19 3.89 0.33 5.54 1.81 -1.26 -4.89 118.95 120.18 1r15 s ARG 29 Ca 0.67 0.82 -0.08 0.00 -1.72 0.00 0.00 55.73 55.42 1r15 s ARG 29 Cb -0.21 -2.20 -0.06 0.00 -0.45 0.00 0.00 34.95 32.03 1r15 s ARG 29 CO 0.44 -0.22 0.64 0.54 -0.68 0.00 0.00 175.30 176.02 1r15 s VAL 30 N -2.58 4.91 0.06 3.52 0.11 -1.26 -4.99 120.40 120.18 1r15 s VAL 30 Ca 0.57 0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 59.79 1r15 s VAL 30 Cb -0.10 -3.72 -0.16 0.00 -1.53 0.00 0.00 36.38 30.88 1r15 s VAL 30 CO 0.32 -0.37 1.28 -0.09 -3.33 0.00 0.00 175.10 172.91 1r15 h ARG 31 N 1.62 0.59 -7.09 1.54 2.43 -1.94 -3.45 114.38 108.08 1r15 h ARG 31 Ca -0.47 -0.44 -0.50 0.00 -0.81 0.00 0.00 59.98 57.76 1r15 h ARG 31 Cb 1.19 0.08 0.07 0.00 -0.42 0.00 0.00 29.97 30.88 1r15 h ARG 31 CO 0.65 1.06 0.42 -1.12 -1.51 0.00 0.00 179.97 179.47 1r15 s SER 32 N -6.69 5.78 0.58 -3.80 0.01 -1.26 -5.04 113.70 103.28 1r15 s SER 32 Ca -0.12 2.11 -0.03 0.00 1.31 0.00 0.00 55.95 59.22 1r15 s SER 32 Cb 0.07 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1r15 s SER 32 CO 0.84 -1.17 0.86 1.51 0.41 0.00 0.00 173.24 175.68 1r15 s ASP 33 N -1.89 5.40 0.21 2.44 1.47 -1.26 -4.87 116.67 118.18 1r15 s ASP 33 Ca 0.71 0.43 -0.08 0.00 1.18 0.00 0.00 52.55 54.79 1r15 s ASP 33 Cb -0.22 -1.38 0.28 0.00 -0.34 0.00 0.00 42.92 41.26 1r15 s ASP 33 CO 0.27 -1.13 1.79 0.00 0.68 0.00 0.00 175.17 176.78 1r15 h SER 35 N 0.61 1.03 -0.30 0.00 0.02 -1.98 0.37 113.55 113.30 1r15 h SER 35 Ca 0.32 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1r15 h SER 35 Cb 0.29 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1r15 h SER 35 CO -0.23 0.71 0.05 0.00 -1.14 0.00 0.00 176.83 176.21 1r15 h ALA 36 N 1.38 0.39 -0.56 3.77 0.00 -1.70 -1.38 119.26 121.15 1r15 h ALA 36 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r15 h ALA 36 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1r15 h ALA 36 CO -0.12 0.08 0.28 -0.07 0.00 0.00 0.00 179.25 179.42 1r15 h LEU 37 N 0.31 0.71 -0.07 0.00 3.38 -0.29 -1.96 115.31 117.40 1r15 h LEU 37 Ca 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r15 h LEU 37 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1r15 h LEU 37 CO 0.01 0.60 0.02 -0.25 0.09 0.00 0.00 178.44 178.91 1r15 h TRP 38 N 0.79 0.11 -0.43 1.13 2.91 0.10 -1.18 115.95 119.38 1r15 h TRP 38 Ca 0.20 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.27 1r15 h TRP 38 Cb 0.08 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 1r15 h TRP 38 CO 0.01 0.25 0.10 0.87 -1.03 0.00 0.00 178.44 178.64 1r15 h LYS 39 N -0.07 0.23 -0.70 2.65 1.57 -0.90 0.41 116.57 119.76 1r15 h LYS 39 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1r15 h LYS 39 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1r15 h LYS 39 CO -0.00 0.15 0.40 -0.44 -0.57 0.00 0.00 179.45 179.00 1r15 h ASP 40 N 0.24 0.84 -0.14 0.86 3.32 -1.21 -0.99 116.42 119.33 1r15 h ASP 40 Ca 0.21 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 1r15 h ASP 40 Cb 0.25 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1r15 h ASP 40 CO -0.26 0.66 -0.71 0.15 -1.72 0.00 0.00 179.24 177.36 1r15 h PHE 41 N 0.97 1.03 0.05 4.55 3.57 -0.23 -3.23 116.94 123.64 1r15 h PHE 41 Ca 0.25 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1r15 h PHE 41 Cb -0.01 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1r15 h PHE 41 CO 0.00 1.25 -0.02 0.35 -2.23 0.00 0.00 178.31 177.66 1r15 h PHE 42 N 0.55 -0.06 -0.63 0.41 3.57 0.21 -3.14 116.94 117.85 1r15 h PHE 42 Ca -0.03 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.65 1r15 h PHE 42 Cb 1.33 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 1r15 h PHE 42 CO 0.08 0.43 0.49 1.57 -2.23 0.00 0.00 178.31 178.65 1r15 h LYS 43 N -0.58 0.00 -0.74 1.11 2.10 -1.31 0.33 116.57 117.48 1r15 h LYS 43 Ca -0.01 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.71 1r15 h LYS 43 Cb 0.52 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 1r15 h LYS 43 CO 0.01 0.00 0.49 0.00 -2.00 0.00 0.00 179.45 177.95 1r15 h ALA 44 N 1.61 1.71 0.00 0.07 0.00 -1.56 -3.32 119.26 117.77 1r15 h ALA 44 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1r15 h ALA 44 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r15 h ALA 44 CO -0.00 0.17 -0.02 1.97 0.00 0.00 0.00 179.25 181.36 1r15 n PHE 45 N -4.48 0.00 -2.23 0.00 -1.74 -0.56 -4.80 117.46 103.65 1r15 n PHE 45 Ca 0.11 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.61 1r15 n PHE 45 Cb 0.24 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.22 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 -0.55 6.56 -0.54 5.98 1.04 -0.00 -3.28 113.70 122.90 1r15 s SER 46 Ca 0.00 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.88 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 -0.66 0.00 0.49 0.98 0.00 0.00 173.24 174.05 1r15 n PHE 47 N 0.25 0.00 -3.94 5.02 3.72 -0.13 -4.92 117.46 117.46 1r15 n PHE 47 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.20 1r15 n PHE 47 Cb 0.45 -2.04 -0.06 0.00 -0.94 0.00 0.00 39.48 36.89 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 -2.19 2.33 0.41 -1.08 1.02 -1.21 -4.40 119.74 114.63 1r15 s LYS 48 Ca 0.00 -1.76 -0.22 0.00 0.02 0.00 0.00 55.97 54.02 1r15 s LYS 48 Cb 0.00 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 1r15 s LYS 48 CO 0.00 -0.17 0.95 -0.80 -0.92 0.00 0.00 175.35 174.41 1r15 s ASN 49 N -4.00 6.99 0.36 2.83 0.01 -1.26 -1.94 114.94 117.93 1r15 s ASN 49 Ca 0.43 1.70 0.18 0.00 -0.71 0.00 0.00 52.86 54.46 1r15 s ASN 49 Cb 0.01 -2.54 1.17 0.00 0.41 0.00 0.00 41.25 40.30 1r15 s ASN 49 CO 0.24 -0.32 1.65 1.55 -1.51 0.00 0.00 177.10 178.71 1r15 h PRO 50 N 2.08 0.25 -0.57 -0.60 0.13 -1.87 0.42 132.00 131.84 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 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1r15 h PRO 50 CO 0.62 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1r15 n ASP 52 N 0.65 7.10 -3.92 0.00 -0.08 0.15 -4.73 116.55 115.71 1r15 n ASP 52 Ca 0.16 -3.41 -0.09 0.00 -1.51 0.00 0.00 54.79 49.94 1r15 n ASP 52 Cb 0.56 -1.28 -0.08 0.00 2.34 0.00 0.00 41.12 42.66 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 -2.88 1.54 0.26 -2.67 1.43 -1.26 -4.76 118.68 110.34 1r15 s LEU 53 Ca 0.42 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1r15 s LEU 53 Cb 0.15 0.90 -0.01 0.00 0.03 0.00 0.00 46.19 47.26 1r15 s LEU 53 CO -0.06 -0.73 0.38 1.51 0.23 0.00 0.00 176.35 177.68 1r15 s ASP 54 N -2.89 0.25 0.63 2.29 -4.77 -1.22 -2.43 116.67 108.53 1r15 s ASP 54 Ca 0.08 -1.21 0.22 0.00 -3.30 0.00 0.00 52.55 48.34 1r15 s ASP 54 Cb 0.05 0.55 1.05 0.00 -1.09 0.00 0.00 42.92 43.48 1r15 s ASP 54 CO -0.09 -1.10 1.55 -0.07 0.70 0.00 0.00 175.17 176.17 1r15 h LEU 55 N 2.32 0.00 0.00 2.11 -0.00 -1.82 0.92 115.31 118.84 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 0.41 0.00 -0.95 1.23 -0.00 0.00 0.00 178.44 179.13 1r15 h GLY 56 N 0.00 0.00 -0.54 0.83 0.00 -1.92 -3.40 103.07 98.04 1r15 h GLY 56 Ca 0.17 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.74 1r15 h GLY 56 CO -0.00 0.00 0.19 1.76 0.00 0.00 0.00 176.54 178.49 1r15 h SER 57 N 0.00 -0.10 -0.62 0.19 0.02 -1.14 0.11 113.55 112.01 1r15 h SER 57 Ca -0.01 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1r15 h SER 57 Cb 1.05 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1r15 h SER 57 CO 0.00 -0.20 0.00 -1.22 -1.14 0.00 0.00 176.83 174.27 1r15 n TYR 58 N -5.28 1.77 -0.07 3.45 4.01 -1.26 -4.38 117.16 115.39 1r15 n TYR 58 Ca 0.21 -0.67 -0.07 0.00 -0.16 0.00 0.00 57.90 57.22 1r15 n TYR 58 Cb 0.70 -0.37 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 4.05 0.03 -0.50 -0.72 3.64 -0.99 0.34 116.57 122.43 1r15 h LYS 59 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r15 h LYS 59 Cb 1.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 1r15 h LYS 59 CO 0.36 0.02 0.27 -0.44 -2.27 0.00 0.00 179.45 177.39 1r15 h ASP 60 N 0.03 0.62 0.24 4.20 3.32 -1.80 -0.88 116.42 122.15 1r15 h ASP 60 Ca 0.14 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1r15 h ASP 60 Cb 0.20 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1r15 h ASP 60 CO -0.27 0.53 -0.33 0.15 -1.72 0.00 0.00 179.24 177.60 1r15 h PHE 61 N 0.66 -0.91 0.00 4.55 3.57 -1.56 -1.96 116.94 121.29 1r15 h PHE 61 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1r15 h PHE 61 Cb 0.05 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1r15 h PHE 61 CO -0.02 -0.46 -0.05 0.74 -2.23 0.00 0.00 178.31 176.30 1r15 h PHE 62 N -0.64 0.00 -0.36 0.41 0.04 -0.71 0.09 116.94 115.78 1r15 h PHE 62 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1r15 h PHE 62 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1r15 h PHE 62 CO -0.24 0.05 -0.04 1.15 -0.60 0.00 0.00 178.31 178.63 1r15 h THR 63 N 0.00 1.27 -0.03 -1.55 2.02 -0.72 -0.67 112.91 113.22 1r15 h THR 63 Ca -0.00 -1.06 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 1r15 h THR 63 Cb 0.09 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1r15 h THR 63 CO 0.01 0.35 -0.58 0.28 0.37 0.00 0.00 175.52 175.95 1r15 h SER 64 N 0.46 0.10 0.17 4.18 0.02 -0.51 -3.24 113.55 114.74 1r15 h SER 64 Ca 0.10 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1r15 h SER 64 Cb 0.52 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1r15 h SER 64 CO 0.03 0.66 -0.40 0.00 -1.14 0.00 0.00 176.83 175.97 1r15 n ALA 65 N -2.45 3.39 -2.42 3.77 0.00 -0.09 -4.52 120.51 118.21 1r15 n ALA 65 Ca -0.02 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1r15 n ALA 65 Cb 0.59 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.58 4.32 0.06 0.00 2.00 -0.27 -4.48 119.66 118.70 1r15 s GLN 66 Ca 0.20 1.71 0.02 0.00 -2.00 0.00 0.00 55.36 55.29 1r15 s GLN 66 Cb 0.18 -3.61 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1r15 s GLN 66 CO 0.58 -0.52 0.09 -0.65 -0.50 0.00 0.00 175.29 174.29 1r15 s GLN 67 N 2.52 2.95 0.24 1.67 -0.21 -1.26 -4.98 119.66 120.59 1r15 s GLN 67 Ca 0.57 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1r15 s GLN 67 Cb -0.25 -2.77 -0.09 0.00 1.00 0.00 0.00 33.01 30.90 1r15 s GLN 67 CO 0.21 0.59 1.27 -0.65 -2.12 0.00 0.00 175.29 174.59 1r15 s GLN 68 N -2.25 4.42 0.01 2.91 -0.21 -1.26 -5.00 119.66 118.28 1r15 s GLN 68 Ca 0.28 2.05 -0.14 0.00 0.02 0.00 0.00 55.36 57.57 1r15 s GLN 68 Cb -0.12 -3.16 -0.06 0.00 1.00 0.00 0.00 33.01 30.67 1r15 s GLN 68 CO 0.21 -0.16 0.40 -0.51 -2.12 0.00 0.00 175.29 173.11 1r15 s LEU 69 N -0.73 4.45 0.04 2.90 2.01 -1.26 -4.46 118.68 121.64 1r15 s LEU 69 Ca 0.53 0.93 -0.31 0.00 0.01 0.00 0.00 54.13 55.29 1r15 s LEU 69 Cb -0.36 -2.64 -0.07 0.00 0.01 0.00 0.00 46.19 43.13 1r15 s LEU 69 CO 0.42 0.30 1.45 -2.16 1.01 0.00 0.00 176.35 177.37 1r15 s PRO 70 N -1.21 4.27 -0.05 1.29 0.04 -1.26 -4.61 135.00 133.47 1r15 s PRO 70 Ca 0.25 2.07 -0.39 0.00 0.04 0.00 0.00 61.00 62.97 1r15 s PRO 70 Cb -0.16 -3.50 -0.17 0.00 0.04 0.00 0.00 34.50 30.71 1r15 s PRO 70 CO 0.14 -0.57 1.41 1.63 0.04 0.00 0.00 177.00 179.64 1r15 n LYS 71 N 5.06 0.89 0.00 4.56 5.02 -1.26 -1.73 118.16 130.69 1r15 n LYS 71 Ca 0.13 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1r15 n LYS 71 Cb 0.43 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1r15 n LYS 71 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r15 n ASN 72 N 3.12 0.00 -0.34 4.39 3.02 -0.79 -4.86 115.26 119.79 1r15 n ASN 72 Ca 0.21 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.88 1r15 n ASN 72 Cb 0.14 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1r15 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r15 n LYS 73 N -2.00 0.87 -2.19 3.52 5.02 -0.71 -4.73 118.16 117.94 1r15 n LYS 73 Ca 0.00 -0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 1r15 n LYS 73 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1r15 n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r15 s VAL 74 N -2.60 3.29 -0.01 -0.18 1.01 -1.26 -0.56 120.40 120.10 1r15 s VAL 74 Ca 0.17 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.18 1r15 s VAL 74 Cb 0.18 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1r15 s VAL 74 CO 0.62 0.09 -0.19 -0.32 0.00 0.00 0.00 175.10 175.31 1r15 s MET 75 N 0.76 1.50 0.17 2.72 0.00 -0.58 -1.33 119.30 122.54 1r15 s MET 75 Ca 0.62 -0.71 0.10 0.00 0.00 0.00 0.00 55.69 55.70 1r15 s MET 75 Cb -0.37 -1.47 -0.04 0.00 0.00 0.00 0.00 34.83 32.95 1r15 s MET 75 CO 0.32 0.40 -0.23 -0.06 0.00 0.00 0.00 175.02 175.46 1r15 s PHE 76 N -0.50 2.16 0.11 4.11 0.08 0.16 -4.41 117.98 119.69 1r15 s PHE 76 Ca 0.07 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 1r15 s PHE 76 Cb -0.07 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1r15 s PHE 76 CO -0.00 0.42 0.26 1.67 -0.10 0.00 0.00 175.22 177.46 1r15 s TRP 77 N -1.64 0.12 -0.04 0.36 1.48 -1.26 -0.66 118.94 117.30 1r15 s TRP 77 Ca 0.18 -0.51 -0.01 0.00 -1.06 0.00 0.00 56.10 54.69 1r15 s TRP 77 Cb -0.08 0.01 0.03 0.00 -1.16 0.00 0.00 33.47 32.28 1r15 s TRP 77 CO 0.08 -0.61 0.06 -1.12 -4.06 0.00 0.00 176.95 171.30 1r15 s SER 78 N -2.87 0.58 -1.15 -2.66 0.01 -0.33 -4.85 113.70 102.43 1r15 s SER 78 Ca 0.07 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1r15 s SER 78 Cb 0.04 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1r15 s SER 78 CO -0.09 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1r15 n GLY 79 N 4.77 -0.24 2.76 3.44 0.00 -1.26 -3.31 105.19 111.35 1r15 n GLY 79 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.20 0.85 -0.32 1.61 0.24 -1.26 -4.70 118.33 111.55 1r15 n VAL 80 Ca -0.15 -2.28 -0.11 0.00 -2.04 0.00 0.00 64.34 59.76 1r15 n VAL 80 Cb 0.59 1.21 -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 2.08 -1.72 -0.17 6.34 5.03 -1.95 0.21 116.97 126.78 1r15 h TYR 81 Ca -0.24 0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.21 1r15 h TYR 81 Cb 1.29 0.85 -0.03 0.00 1.55 0.00 0.00 36.73 40.39 1r15 h TYR 81 CO 0.31 -0.37 -0.00 -0.44 -1.32 0.00 0.00 178.16 176.34 1r15 h ASP 82 N -0.10 -0.07 -0.53 -2.11 3.32 -1.99 -0.29 116.42 114.65 1r15 h ASP 82 Ca 0.13 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1r15 h ASP 82 Cb 0.43 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1r15 h ASP 82 CO -0.79 -0.01 0.22 -0.33 -1.72 0.00 0.00 179.24 176.61 1r15 h GLU 83 N 0.06 0.78 -0.21 3.56 3.07 -1.78 -1.21 114.58 118.86 1r15 h GLU 83 Ca 0.08 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1r15 h GLU 83 Cb 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1r15 h GLU 83 CO -0.14 0.68 0.12 0.00 -1.40 0.00 0.00 179.01 178.28 1r15 h ALA 84 N 1.06 0.26 -0.24 3.43 0.00 -0.32 -1.56 119.26 121.89 1r15 h ALA 84 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1r15 h ALA 84 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r15 h ALA 84 CO -0.02 -0.22 -0.34 0.45 0.00 0.00 0.00 179.25 179.12 1r15 h HIS 85 N 0.25 0.61 -0.52 0.00 3.86 -0.91 0.43 115.15 118.87 1r15 h HIS 85 Ca 0.07 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1r15 h HIS 85 Cb 0.03 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1r15 h HIS 85 CO -0.05 0.80 0.23 -0.44 0.86 0.00 0.00 177.93 179.33 1r15 h ASP 86 N 0.45 0.70 -0.34 2.45 3.32 -1.02 0.01 116.42 121.99 1r15 h ASP 86 Ca 0.05 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1r15 h ASP 86 Cb 0.81 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1r15 h ASP 86 CO 0.07 0.66 0.03 0.22 -1.72 0.00 0.00 179.24 178.49 1r15 h TYR 87 N 0.70 0.63 -0.07 4.55 3.20 -1.02 -1.66 116.97 123.30 1r15 h TYR 87 Ca 0.18 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1r15 h TYR 87 Cb 0.16 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1r15 h TYR 87 CO 0.00 0.67 0.07 0.00 -1.64 0.00 0.00 178.16 177.26 1r15 h ALA 88 N 0.88 1.80 -6.15 1.82 0.00 -0.64 -3.43 119.26 113.53 1r15 h ALA 88 Ca 0.10 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.58 1r15 h ALA 88 Cb 0.40 0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.23 1r15 h ALA 88 CO 0.01 -0.10 -0.83 -1.71 0.00 0.00 0.00 179.25 176.61 1r15 n ASN 89 N -4.09 -1.20 -3.50 0.00 4.05 -0.03 -1.51 115.26 108.98 1r15 n ASN 89 Ca -0.01 -0.84 -0.24 0.00 0.45 0.00 0.00 54.58 53.94 1r15 n ASN 89 Cb 0.17 -3.91 0.05 0.00 1.23 0.00 0.00 39.78 37.32 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 -4.31 -7.20 -0.21 -0.44 -1.04 -1.26 -2.06 114.28 97.77 1r15 n THR 90 Ca -0.29 -1.10 0.00 0.00 -2.04 0.00 0.00 64.05 60.63 1r15 n THR 90 Cb 0.67 -5.25 0.00 0.00 -1.82 0.00 0.00 70.33 63.93 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 -1.48 1.41 0.18 3.41 0.00 -1.13 -4.84 105.19 102.74 1r15 n GLY 91 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 1.29 0.57 0.00 1.61 3.08 -1.32 -3.38 114.38 116.23 1r15 h ARG 92 Ca 0.00 -0.28 -0.46 0.00 0.07 0.00 0.00 59.98 59.31 1r15 h ARG 92 Cb 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1r15 h ARG 92 CO 0.00 0.86 -2.55 1.17 -1.07 0.00 0.00 179.97 178.37 1r15 n LYS 93 N -4.41 0.59 -4.00 0.04 4.81 -0.57 -5.02 118.16 109.61 1r15 n LYS 93 Ca -0.04 0.25 -0.08 0.00 -0.87 0.00 0.00 58.31 57.57 1r15 n LYS 93 Cb 0.40 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 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 -2.51 0.35 0.18 5.64 2.02 -1.07 -4.82 117.35 117.13 1r15 s TYR 94 Ca -0.39 -0.77 0.05 0.00 -0.37 0.00 0.00 57.07 55.59 1r15 s TYR 94 Cb 0.15 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1r15 s TYR 94 CO 0.50 -0.36 0.17 0.96 -1.57 0.00 0.00 175.55 175.25 1r15 s ILE 95 N -3.09 4.62 0.37 2.71 -4.36 0.27 -2.83 121.20 118.88 1r15 s ILE 95 Ca -0.01 -1.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 1r15 s ILE 95 Cb 0.02 -3.38 -0.06 0.00 1.25 0.00 0.00 42.46 40.29 1r15 s ILE 95 CO -0.07 -0.14 0.05 0.42 0.24 0.00 0.00 174.94 175.44 1r15 s THR 96 N -1.81 1.26 0.24 8.37 -4.23 -1.26 -1.53 115.64 116.68 1r15 s THR 96 Ca 0.32 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1r15 s THR 96 Cb -0.10 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1r15 s THR 96 CO 0.24 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.35 1r15 h LEU 97 N 1.95 0.50 -2.58 4.79 5.85 -1.97 0.16 115.31 124.01 1r15 h LEU 97 Ca -0.41 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1r15 h LEU 97 Cb 1.25 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1r15 h LEU 97 CO 0.70 0.25 0.10 -0.33 -0.34 0.00 0.00 178.44 178.83 1r15 h GLU 98 N 0.62 0.00 0.00 1.25 3.07 -1.95 -1.06 114.58 116.52 1r15 h GLU 98 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1r15 h GLU 98 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1r15 h GLU 98 CO -0.31 0.00 -0.53 -0.44 -1.40 0.00 0.00 179.01 176.33 1r15 h ASP 99 N 0.00 0.00 -4.07 1.42 3.32 -1.04 -2.97 116.42 113.08 1r15 h ASP 99 Ca 0.02 -0.17 -0.50 0.00 0.02 0.00 0.00 57.03 56.40 1r15 h ASP 99 Cb 0.22 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.82 1r15 h ASP 99 CO -0.00 0.08 0.30 0.42 -1.72 0.00 0.00 179.24 178.33 1r15 s THR 100 N -3.17 4.46 0.15 0.35 -4.23 -0.40 -4.79 115.64 108.02 1r15 s THR 100 Ca 0.07 0.52 -0.25 0.00 -1.18 0.00 0.00 61.69 60.85 1r15 s THR 100 Cb 0.13 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1r15 s THR 100 CO 0.70 -0.91 1.59 0.25 -0.54 0.00 0.00 174.62 175.71 1r15 h LEU 101 N -0.20 -1.25 -0.66 4.79 5.85 -1.85 0.27 115.31 122.27 1r15 h LEU 101 Ca -0.45 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1r15 h LEU 101 Cb 1.21 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1r15 h LEU 101 CO 0.62 -0.36 0.43 -0.65 -0.34 0.00 0.00 178.44 178.15 1r15 h PRO 102 N -0.32 0.85 -0.36 5.25 0.11 -1.88 0.73 132.00 136.38 1r15 h PRO 102 Ca 0.14 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 1r15 h PRO 102 Cb 0.57 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1r15 h PRO 102 CO -0.53 0.56 -0.02 0.78 -0.21 0.00 0.00 178.00 178.59 1r15 h GLY 103 N 0.88 0.70 1.03 -0.55 0.00 -1.49 -2.01 103.07 101.63 1r15 h GLY 103 Ca 0.25 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1r15 h GLY 103 CO -0.06 0.49 0.27 -1.82 0.00 0.00 0.00 176.54 175.42 1r15 h TYR 104 N 0.46 1.09 0.17 5.60 3.20 -0.26 0.22 116.97 127.45 1r15 h TYR 104 Ca 0.10 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1r15 h TYR 104 Cb 0.49 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1r15 h TYR 104 CO 0.04 0.85 -0.08 0.52 -1.64 0.00 0.00 178.16 177.85 1r15 h MET 105 N 1.02 -0.22 -0.01 1.82 2.86 -0.67 -3.27 114.93 116.46 1r15 h MET 105 Ca 0.23 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1r15 h MET 105 Cb 0.23 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1r15 h MET 105 CO -0.02 0.07 -0.03 1.28 1.06 0.00 0.00 176.91 179.27 1r15 n LEU 106 N -5.06 1.51 -4.68 1.22 7.99 -0.77 -4.85 117.00 112.36 1r15 n LEU 106 Ca -0.09 -0.50 -0.51 0.00 -0.01 0.00 0.00 56.01 54.91 1r15 n LEU 106 Cb 0.21 -0.01 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 1r15 n LEU 106 CO 0.32 0.25 1.34 -3.20 -1.51 0.00 0.00 177.39 174.60 1r15 n ASN 107 N 0.13 2.92 0.00 -1.43 5.15 0.76 -0.80 115.26 121.99 1r15 n ASN 107 Ca 0.18 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1r15 n ASN 107 Cb 0.37 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 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 5.38 0.00 -4.84 1.20 7.64 -1.26 -5.00 113.62 116.74 1r15 n SER 108 Ca 0.22 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.78 1r15 n SER 108 Cb 0.24 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 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 3.65 -0.11 -3.43 1.43 0.02 -5.00 118.68 115.24 1r15 s LEU 109 Ca 0.00 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1r15 s LEU 109 Cb 0.00 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1r15 s LEU 109 CO 0.00 -0.56 -0.15 -0.69 0.23 0.00 0.00 176.35 175.18 1r15 s VAL 110 N -2.58 1.49 0.15 -1.59 1.01 -1.26 -4.98 120.40 112.64 1r15 s VAL 110 Ca 0.59 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1r15 s VAL 110 Cb -0.10 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.97 1r15 s VAL 110 CO 0.30 0.44 0.52 -1.66 0.00 0.00 0.00 175.10 174.70 1r15 s TRP 111 N 1.03 -0.36 -0.05 5.22 -2.14 -1.26 -0.28 118.94 121.11 1r15 s TRP 111 Ca -0.06 0.09 -0.29 0.00 2.66 0.00 0.00 56.10 58.50 1r15 s TRP 111 Cb -0.15 0.44 0.11 0.00 -3.10 0.00 0.00 33.47 30.76 1r15 s TRP 111 CO -0.02 -0.81 0.89 0.00 -2.66 0.00 0.00 176.95 174.34 1r15 s GLY 113 N -1.95 1.75 0.03 0.00 0.00 -1.25 -1.53 107.32 104.37 1r15 s GLY 113 Ca 0.01 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 1r15 s GLY 113 CO -0.04 -0.82 0.40 -0.86 0.00 0.00 0.00 173.10 171.77 1r15 s GLN 114 N -5.17 0.87 0.12 2.90 -2.07 -0.82 -2.81 119.66 112.69 1r15 s GLN 114 Ca 0.63 -0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.88 1r15 s GLN 114 Cb -0.08 0.39 -0.16 0.00 -1.09 0.00 0.00 33.01 32.06 1r15 s GLN 114 CO 0.44 -0.29 1.27 0.00 -1.32 0.00 0.00 175.29 175.39 1r15 h ARG 115 N 3.18 0.13 -7.02 9.60 3.08 -1.76 -2.82 114.38 118.76 1r15 h ARG 115 Ca -0.31 -0.19 -0.49 0.00 0.07 0.00 0.00 59.98 59.06 1r15 h ARG 115 Cb 1.20 0.07 0.04 0.00 0.08 0.00 0.00 29.97 31.36 1r15 h ARG 115 CO 0.43 1.04 0.43 0.00 -1.07 0.00 0.00 179.97 180.80 1r15 s ALA 116 N -2.84 2.93 0.54 0.04 0.00 -1.26 -4.71 121.76 116.46 1r15 s ALA 116 Ca -0.01 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1r15 s ALA 116 Cb 0.09 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1r15 s ALA 116 CO 0.84 -0.48 1.02 0.09 0.00 0.00 0.00 175.76 177.23 1r15 n ASN 117 N -0.64 1.14 0.00 0.00 3.02 -1.26 -0.94 115.26 116.57 1r15 n ASN 117 Ca 0.08 0.89 0.11 0.00 -0.03 0.00 0.00 54.58 55.63 1r15 n ASN 117 Cb 0.50 -1.40 0.58 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.63 0.43 0.00 3.52 -0.04 -1.26 -4.90 135.00 132.12 1r15 n PRO 118 Ca 0.12 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1r15 n PRO 118 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.48 0.84 3.21 0.55 0.00 -0.12 -4.83 105.19 105.33 1r15 n GLY 119 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 0.01 1.61 -0.71 -1.26 -0.96 117.98 114.56 1r15 s PHE 120 Ca 0.00 0.11 -0.24 0.00 -1.04 0.00 0.00 56.93 55.76 1r15 s PHE 120 Cb 0.00 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 1r15 s PHE 120 CO 0.00 -0.39 0.73 1.21 -1.34 0.00 0.00 175.22 175.43 1r15 s ASN 121 N -1.50 7.13 0.00 1.98 3.84 -0.58 -4.70 114.94 121.11 1r15 s ASN 121 Ca -0.12 1.35 0.05 0.00 0.21 0.00 0.00 52.86 54.35 1r15 s ASN 121 Cb -0.05 -2.44 0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1r15 s ASN 121 CO 0.02 -0.01 0.68 -0.62 -2.79 0.00 0.00 177.10 174.38 1r15 n GLU 122 N 3.06 -0.15 -0.14 0.43 1.02 -1.26 -4.55 120.64 119.05 1r15 n GLU 122 Ca -0.02 -0.84 -0.27 0.00 -0.02 0.00 0.00 57.16 56.01 1r15 n GLU 122 Cb 0.51 -1.09 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.24 0.59 -3.63 3.49 5.02 -1.26 -4.76 118.16 117.86 1r15 n LYS 123 Ca 0.03 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1r15 n LYS 123 Cb 0.13 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.50 0.05 0.06 -0.18 0.11 -1.26 -4.48 120.40 112.19 1r15 s VAL 124 Ca -0.37 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1r15 s VAL 124 Cb 0.13 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1r15 s VAL 124 CO 0.51 -0.23 -0.18 0.00 -3.33 0.00 0.00 175.10 171.87 1r15 s PRO 126 N -1.35 1.90 0.43 0.00 0.04 -1.26 -3.19 135.00 131.57 1r15 s PRO 126 Ca 0.04 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 1r15 s PRO 126 Cb -0.09 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1r15 s PRO 126 CO 0.02 -1.99 1.02 0.34 0.04 0.00 0.00 177.00 176.44 1r15 s ASP 127 N -2.36 6.69 0.00 6.66 -1.08 -1.26 -4.76 116.67 120.56 1r15 s ASP 127 Ca 0.71 1.92 0.00 0.00 -0.52 0.00 0.00 52.55 54.66 1r15 s ASP 127 Cb -0.26 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.63 1r15 s ASP 127 CO 0.49 -0.53 0.52 0.33 0.52 0.00 0.00 175.17 176.50 1r15 n PHE 128 N -0.42 0.00 0.28 -5.34 7.35 -1.26 -0.52 117.46 117.54 1r15 n PHE 128 Ca 0.07 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.85 1r15 n PHE 128 Cb 0.51 -0.19 0.39 0.00 0.35 0.00 0.00 39.48 40.54 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 -0.21 -4.13 6.56 -2.00 -2.35 116.57 114.44 1r15 h LYS 129 Ca 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 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 -0.42 1.15 -2.06 0.00 0.00 179.45 178.12 1r15 h THR 130 N 0.00 1.31 -2.94 -0.16 2.02 -1.18 -3.46 112.91 108.50 1r15 h THR 130 Ca 0.04 -1.60 -0.50 0.00 0.77 0.00 0.00 66.41 65.13 1r15 h THR 130 Cb 1.49 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1r15 h THR 130 CO -0.00 0.50 -0.20 0.00 0.37 0.00 0.00 175.52 176.19 1r15 s PRO 132 N -3.91 2.62 0.18 0.00 0.04 -1.26 -4.67 135.00 128.00 1r15 s PRO 132 Ca 0.41 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1r15 s PRO 132 Cb -0.10 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1r15 s PRO 132 CO 0.33 -1.45 1.69 -0.39 0.04 0.00 0.00 177.00 177.22 1r15 h VAL 133 N 0.23 0.64 -0.24 -0.36 -1.51 -1.97 0.08 116.25 113.13 1r15 h VAL 133 Ca -0.48 -0.04 0.07 0.00 -1.23 0.00 0.00 66.70 65.02 1r15 h VAL 133 Cb 1.28 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1r15 h VAL 133 CO 0.53 0.02 0.37 0.06 -1.23 0.00 0.00 177.57 177.32 1r15 h GLN 134 N 0.10 0.00 0.03 5.19 -0.00 -1.91 0.35 115.11 118.87 1r15 h GLN 134 Ca 0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.56 1r15 h GLN 134 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.77 1r15 h GLN 134 CO -0.38 0.00 -1.73 0.00 -0.00 0.00 0.00 178.83 176.72 1r15 n ALA 135 N -2.18 0.92 -0.33 0.06 0.00 -0.60 -2.79 120.51 115.59 1r15 n ALA 135 Ca 0.03 -0.66 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1r15 n ALA 135 Cb 0.50 -0.43 0.24 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.73 0.78 -0.36 0.00 2.43 0.01 -1.73 114.38 114.78 1r15 h ARG 136 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1r15 h ARG 136 Cb 1.55 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1r15 h ARG 136 CO -0.19 0.52 0.00 0.39 -1.51 0.00 0.00 179.97 179.18 1r15 n GLU 137 N -4.74 3.03 -0.22 0.20 1.02 0.11 -4.67 120.64 115.37 1r15 n GLU 137 Ca 0.19 -2.48 0.02 0.00 -0.02 0.00 0.00 57.16 54.86 1r15 n GLU 137 Cb 0.41 -1.59 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 2.25 0.17 0.00 1.62 0.87 -1.13 0.18 113.55 117.50 1r15 h SER 138 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1r15 h SER 138 Cb 1.12 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1r15 h SER 138 CO 0.12 0.08 -0.08 0.15 -0.53 0.00 0.00 176.83 176.57 1r15 h PHE 139 N 0.37 0.00 0.00 2.24 3.57 -1.83 -3.04 116.94 118.25 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 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1r15 h PHE 139 CO -0.19 0.00 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.20 1r15 h TRP 140 N -0.90 0.00 0.17 0.41 4.06 -1.88 0.18 115.95 117.98 1r15 h TRP 140 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1r15 h TRP 140 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1r15 h TRP 140 CO -0.03 0.19 -0.08 0.78 -3.56 0.00 0.00 178.44 175.74 1r15 h GLY 141 N 1.05 -0.23 0.88 1.49 0.00 -0.82 -0.27 103.07 105.17 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 -0.08 0.23 1.98 0.00 0.00 0.00 176.54 178.69 1r15 h MET 142 N -0.64 0.45 -0.35 4.80 1.85 -1.37 -0.11 114.93 119.56 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 0.47 -0.10 -0.07 0.00 0.43 0.00 0.00 31.60 32.33 1r15 h MET 142 CO 0.04 0.30 -0.09 0.00 -0.40 0.00 0.00 176.91 176.76 1r15 h ALA 143 N 1.19 0.24 -0.86 0.39 0.00 -0.59 0.33 119.26 119.96 1r15 h ALA 143 Ca 0.16 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1r15 h ALA 143 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1r15 h ALA 143 CO -0.08 -0.46 0.57 0.77 0.00 0.00 0.00 179.25 180.05 1r15 h SER 144 N 0.00 0.98 0.31 0.00 0.02 -0.43 0.63 113.55 115.06 1r15 h SER 144 Ca 0.17 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1r15 h SER 144 Cb 0.26 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r15 h SER 144 CO -0.36 0.71 -0.15 0.28 -1.14 0.00 0.00 176.83 176.17 1r15 h SER 145 N 1.16 -0.35 -0.62 3.07 0.02 0.32 -0.14 113.55 117.02 1r15 h SER 145 Ca 0.32 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1r15 h SER 145 Cb -0.13 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1r15 h SER 145 CO -0.07 -0.09 0.31 -1.28 -1.14 0.00 0.00 176.83 174.56 1r15 h SER 146 N -0.61 0.44 0.55 3.07 0.87 -0.18 0.28 113.55 117.97 1r15 h SER 146 Ca -0.04 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1r15 h SER 146 Cb 0.44 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1r15 h SER 146 CO 0.07 0.28 -0.39 0.22 -0.53 0.00 0.00 176.83 176.48 1r15 h TYR 147 N 0.58 -1.06 -0.81 2.24 3.20 -0.74 -2.55 116.97 117.83 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 0.22 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1r15 h TYR 147 CO -0.10 -0.58 0.46 0.00 -1.64 0.00 0.00 178.16 176.30 1r15 h ALA 148 N -0.60 1.16 -0.47 1.82 0.00 -0.65 -0.08 119.26 120.44 1r15 h ALA 148 Ca -0.06 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1r15 h ALA 148 Cb 0.76 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1r15 h ALA 148 CO 0.03 0.09 0.33 1.25 0.00 0.00 0.00 179.25 180.95 1r15 h HIS 149 N 0.78 0.10 -0.01 0.00 -0.00 -0.69 -1.59 115.15 113.75 1r15 h HIS 149 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 1r15 h HIS 149 Cb 0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1r15 h HIS 149 CO -0.06 0.05 -0.24 0.43 -0.00 0.00 0.00 177.93 178.11 1r15 n SER 150 N -4.43 0.79 -4.78 3.26 7.64 -0.05 -4.46 113.62 111.60 1r15 n SER 150 Ca 0.08 -0.70 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 1r15 n SER 150 Cb 0.48 0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.56 3.58 0.13 -0.43 0.00 -0.60 -4.16 121.76 117.72 1r15 s ALA 151 Ca 0.24 1.56 0.09 0.00 0.00 0.00 0.00 51.96 53.85 1r15 s ALA 151 Cb 0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1r15 s ALA 151 CO 0.53 -1.03 -0.21 -1.21 0.00 0.00 0.00 175.76 173.83 1r15 s GLU 152 N -1.99 1.23 6.21 0.00 2.02 -1.26 -4.27 118.70 120.64 1r15 s GLU 152 Ca 0.53 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1r15 s GLU 152 Cb -0.46 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1r15 s GLU 152 CO 0.62 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.63 1r15 n GLY 153 N 0.77 3.08 3.77 -1.39 0.00 0.20 -1.89 105.19 109.72 1r15 n GLY 153 Ca -0.17 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 4.21 0.07 1.61 2.02 -1.26 -0.56 118.70 124.80 1r15 s GLU 154 Ca 0.00 1.70 0.07 0.00 0.02 0.00 0.00 54.97 56.76 1r15 s GLU 154 Cb 0.00 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1r15 s GLU 154 CO 0.00 -0.14 -0.19 0.08 0.02 0.00 0.00 175.26 175.03 1r15 s VAL 155 N -1.46 1.50 -0.01 2.63 1.01 -0.46 -3.33 120.40 120.29 1r15 s VAL 155 Ca 0.55 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1r15 s VAL 155 Cb -0.28 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1r15 s VAL 155 CO 0.35 -0.02 -0.21 -0.89 0.00 0.00 0.00 175.10 174.32 1r15 s THR 156 N -1.06 1.69 -0.12 3.92 2.01 -0.44 -1.16 115.64 120.49 1r15 s THR 156 Ca 0.04 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1r15 s THR 156 Cb -0.09 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.03 1r15 s THR 156 CO 0.03 0.45 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.88 1r15 s TYR 157 N -0.54 1.35 -0.18 4.92 5.04 0.13 0.39 117.35 128.46 1r15 s TYR 157 Ca 0.08 -0.70 -0.07 0.00 -2.44 0.00 0.00 57.07 53.94 1r15 s TYR 157 Cb -0.08 -1.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.03 1r15 s TYR 157 CO -0.01 -0.50 0.05 1.41 -1.34 0.00 0.00 175.55 175.17 1r15 s MET 158 N 1.75 3.94 0.18 4.97 -2.45 0.17 -0.40 119.30 127.46 1r15 s MET 158 Ca 0.04 -0.36 0.05 0.00 -1.25 0.00 0.00 55.69 54.17 1r15 s MET 158 Cb -0.13 -3.20 -0.05 0.00 1.25 0.00 0.00 34.83 32.71 1r15 s MET 158 CO -0.08 0.25 -0.09 0.14 1.05 0.00 0.00 175.02 176.29 1r15 s VAL 159 N 0.42 1.34 -0.33 10.11 -7.23 -0.29 -1.18 120.40 123.24 1r15 s VAL 159 Ca 0.03 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 1r15 s VAL 159 Cb -0.13 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 1r15 s VAL 159 CO 0.01 -0.61 0.64 -0.62 -0.31 0.00 0.00 175.10 174.21 1r15 s ASP 160 N -3.25 6.47 -0.06 4.85 -1.08 -1.21 -0.30 116.67 122.10 1r15 s ASP 160 Ca 0.21 0.31 0.20 0.00 -0.52 0.00 0.00 52.55 52.74 1r15 s ASP 160 Cb 0.02 -2.33 0.67 0.00 -1.46 0.00 0.00 42.92 39.82 1r15 s ASP 160 CO 0.04 -0.55 1.57 0.61 0.52 0.00 0.00 175.17 177.37 1r15 n GLY 161 N 4.53 2.69 0.38 2.66 0.00 0.52 -3.99 105.19 111.98 1r15 n GLY 161 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 1.28 2.04 -4.12 1.61 7.64 -1.24 -0.38 113.62 120.44 1r15 n SER 162 Ca 0.25 -3.53 -0.36 0.00 1.01 0.00 0.00 58.87 56.23 1r15 n SER 162 Cb 0.76 -0.49 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 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 -3.05 5.27 0.51 6.43 3.04 -1.26 -4.83 114.94 121.05 1r15 s ASN 163 Ca 0.36 -2.01 0.25 0.00 0.04 0.00 0.00 52.86 51.49 1r15 s ASN 163 Cb 0.33 -1.83 1.35 0.00 -1.54 0.00 0.00 41.25 39.55 1r15 s ASN 163 CO -0.02 -0.55 1.95 1.55 -3.04 0.00 0.00 177.10 176.99 1r15 h PRO 164 N 8.07 0.08 0.00 0.43 0.13 -1.93 -1.70 132.00 137.08 1r15 h PRO 164 Ca -0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1r15 h PRO 164 Cb 1.05 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1r15 h PRO 164 CO 0.70 0.05 -0.77 0.87 -0.23 0.00 0.00 178.00 178.62 1r15 h LYS 165 N 0.08 0.00 -3.60 0.86 1.57 -2.02 -3.45 116.57 110.02 1r15 h LYS 165 Ca 0.32 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.58 1r15 h LYS 165 Cb 1.15 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.07 1r15 h LYS 165 CO -0.03 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 178.16 1r15 s VAL 166 N -3.24 0.57 0.55 0.50 1.01 -0.64 -5.12 120.40 114.03 1r15 s VAL 166 Ca 0.04 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1r15 s VAL 166 Cb 0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1r15 s VAL 166 CO 0.75 -0.18 1.30 -2.16 0.00 0.00 0.00 175.10 174.81 1r15 s PRO 167 N 1.84 3.13 0.19 2.72 0.04 -1.26 -4.53 135.00 137.13 1r15 s PRO 167 Ca -0.01 2.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1r15 s PRO 167 Cb -0.17 -2.19 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1r15 s PRO 167 CO -0.08 -1.15 1.57 0.00 0.04 0.00 0.00 177.00 177.38 1r15 h ALA 168 N 1.36 -0.09 -3.51 8.56 0.00 -1.89 -3.38 119.26 120.31 1r15 h ALA 168 Ca -0.51 0.17 -0.68 0.00 0.00 0.00 0.00 54.91 53.90 1r15 h ALA 168 Cb 1.30 0.88 -0.18 0.00 0.00 0.00 0.00 17.79 19.78 1r15 h ALA 168 CO 0.57 -0.71 -0.67 -0.47 0.00 0.00 0.00 179.25 177.97 1r15 s TYR 169 N -5.94 3.01 -0.04 0.00 5.04 -1.26 -4.73 117.35 113.43 1r15 s TYR 169 Ca -0.14 0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.48 1r15 s TYR 169 Cb 0.16 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.73 1r15 s TYR 169 CO 0.69 0.30 0.09 1.03 -1.34 0.00 0.00 175.55 176.32 1r15 s ARG 170 N -0.62 0.03 0.61 4.97 0.52 -1.26 -4.81 118.95 118.39 1r15 s ARG 170 Ca 0.10 0.29 0.30 0.00 -0.52 0.00 0.00 55.73 55.89 1r15 s ARG 170 Cb -0.12 -0.21 1.64 0.00 0.52 0.00 0.00 34.95 36.79 1r15 s ARG 170 CO 0.02 -0.17 2.01 -1.35 0.02 0.00 0.00 175.30 175.83 1r15 h PRO 171 N 7.26 0.00 -0.63 3.54 0.11 -1.98 -2.48 132.00 137.82 1r15 h PRO 171 Ca -0.44 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 1r15 h PRO 171 Cb 1.13 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.92 1r15 h PRO 171 CO 0.45 0.00 -0.52 -0.40 -0.21 0.00 0.00 178.00 177.32 1r15 n ASP 172 N -3.51 4.50 -4.96 -2.05 5.75 -1.26 -2.90 116.55 112.12 1r15 n ASP 172 Ca 0.02 -3.78 -0.22 0.00 -0.01 0.00 0.00 54.79 50.80 1r15 n ASP 172 Cb 0.43 -0.47 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 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 -3.26 5.75 0.47 -1.12 1.04 -0.93 -4.82 113.70 110.82 1r15 s SER 173 Ca 0.50 0.14 0.16 0.00 0.48 0.00 0.00 55.95 57.24 1r15 s SER 173 Cb 0.41 -1.35 1.14 0.00 0.10 0.00 0.00 66.02 66.32 1r15 s SER 173 CO 0.01 -0.74 2.01 -0.26 0.98 0.00 0.00 173.24 175.24 1r15 h PHE 174 N 0.42 0.29 0.22 5.02 -1.00 -1.93 0.27 116.94 120.22 1r15 h PHE 174 Ca -0.45 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 1r15 h PHE 174 Cb 1.26 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1r15 h PHE 174 CO 0.43 0.14 -0.10 0.35 -1.61 0.00 0.00 178.31 177.52 1r15 h PHE 175 N 0.27 -0.27 0.00 -0.55 3.57 -1.89 0.25 116.94 118.32 1r15 h PHE 175 Ca 0.23 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1r15 h PHE 175 Cb 0.57 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1r15 h PHE 175 CO -0.00 0.01 -0.26 0.78 -2.23 0.00 0.00 178.31 176.61 1r15 h GLY 176 N -0.53 0.00 0.69 2.40 0.00 -1.37 0.22 103.07 104.48 1r15 h GLY 176 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.98 1r15 h GLY 176 CO 0.05 0.00 -1.62 0.50 0.00 0.00 0.00 176.54 175.47 1r15 h LYS 177 N 0.00 0.30 0.00 4.80 1.57 -0.38 -3.41 116.57 119.46 1r15 h LYS 177 Ca -0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1r15 h LYS 177 Cb 0.47 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1r15 h LYS 177 CO 0.03 1.25 -0.96 0.66 -0.57 0.00 0.00 179.45 179.86 1r15 n TYR 178 N -3.75 0.00 -0.00 -1.35 4.01 0.84 -4.73 117.16 112.18 1r15 n TYR 178 Ca -0.26 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1r15 n TYR 178 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.65 -0.72 5.08 -0.75 -3.33 114.58 114.22 1r15 h GLU 179 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1r15 h GLU 179 Cb 0.71 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.85 1r15 h GLU 179 CO 0.00 0.00 -0.07 1.25 -1.00 0.00 0.00 179.01 179.19 1r15 h LEU 180 N -0.04 -0.43 -2.08 1.33 5.85 -0.90 -0.27 115.31 118.77 1r15 h LEU 180 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1r15 h LEU 180 Cb 0.01 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1r15 h LEU 180 CO 0.00 -0.17 0.00 -0.65 -0.34 0.00 0.00 178.44 177.28 1r15 h PRO 181 N 0.06 0.00 -0.34 5.25 0.11 -1.79 -2.63 132.00 132.66 1r15 h PRO 181 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1r15 h PRO 181 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1r15 h PRO 181 CO -0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.27 1r15 n ASN 182 N -2.80 3.23 -4.71 -2.05 3.02 -0.13 -4.94 115.26 106.89 1r15 n ASN 182 Ca -0.01 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1r15 n ASN 182 Cb 0.12 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.36 4.36 0.84 3.41 1.43 -1.00 -3.41 118.68 122.95 1r15 s LEU 183 Ca 0.34 2.43 -0.09 0.00 -1.03 0.00 0.00 54.13 55.78 1r15 s LEU 183 Cb 0.20 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 43.00 1r15 s LEU 183 CO 0.28 -0.77 1.16 0.42 0.23 0.00 0.00 176.35 177.66 1r15 s THR 184 N 1.66 2.08 -1.65 5.49 -4.23 -1.26 -4.93 115.64 112.79 1r15 s THR 184 Ca 0.69 -0.27 0.18 0.00 -1.18 0.00 0.00 61.69 61.11 1r15 s THR 184 Cb -0.39 -2.81 0.39 0.00 1.34 0.00 0.00 72.50 71.03 1r15 s THR 184 CO 0.31 0.00 1.51 -0.46 -0.54 0.00 0.00 174.62 175.44 1r15 n ASN 185 N -3.31 0.00 0.15 3.99 6.94 -1.26 -1.37 115.26 120.40 1r15 n ASN 185 Ca 0.14 -0.20 0.13 0.00 -0.02 0.00 0.00 54.58 54.63 1r15 n ASN 185 Cb 0.60 -0.17 0.42 0.00 -2.36 0.00 0.00 39.78 38.26 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 -6.38 -3.83 1.57 -1.92 -3.43 116.57 102.58 1r15 h LYS 186 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1r15 h LYS 186 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1r15 h LYS 186 CO 0.00 0.00 0.17 0.08 -0.57 0.00 0.00 179.45 179.13 1r15 s VAL 187 N -3.24 4.60 -0.25 0.50 1.01 -0.47 -0.63 120.40 121.91 1r15 s VAL 187 Ca 0.07 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.55 1r15 s VAL 187 Cb 0.10 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 1r15 s VAL 187 CO 0.55 0.42 -0.25 0.41 0.00 0.00 0.00 175.10 176.24 1r15 n THR 188 N 2.35 1.53 -4.01 3.92 -1.04 0.28 -4.84 114.28 112.46 1r15 n THR 188 Ca -0.04 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 61.63 1r15 n THR 188 Cb 0.50 -1.97 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 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 -2.51 0.99 -0.24 -2.82 3.52 -1.24 -1.56 118.95 115.09 1r15 s ARG 189 Ca -0.36 -1.22 -0.00 0.00 -0.13 0.00 0.00 55.73 54.02 1r15 s ARG 189 Cb 0.12 0.32 0.07 0.00 -1.56 0.00 0.00 34.95 33.90 1r15 s ARG 189 CO 0.50 -0.32 0.00 0.08 -0.81 0.00 0.00 175.30 174.74 1r15 s VAL 190 N -3.97 1.20 -0.20 7.11 1.01 -0.59 -1.35 120.40 123.61 1r15 s VAL 190 Ca 0.16 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1r15 s VAL 190 Cb 0.05 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1r15 s VAL 190 CO -0.02 -0.26 0.25 -0.54 0.00 0.00 0.00 175.10 174.53 1r15 s LYS 191 N 1.52 4.16 -0.05 2.72 1.02 -0.31 -1.92 119.74 126.88 1r15 s LYS 191 Ca -0.01 -0.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 1r15 s LYS 191 Cb -0.18 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1r15 s LYS 191 CO -0.10 0.11 0.01 0.08 -0.92 0.00 0.00 175.35 174.52 1r15 s VAL 192 N 0.89 4.29 -0.20 3.17 1.01 -0.29 -0.69 120.40 128.57 1r15 s VAL 192 Ca 0.13 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1r15 s VAL 192 Cb -0.13 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1r15 s VAL 192 CO 0.04 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 174.88 1r15 s ILE 193 N -0.97 1.91 -0.15 2.22 1.01 0.46 -1.39 121.20 124.29 1r15 s ILE 193 Ca 0.16 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 1r15 s ILE 193 Cb -0.11 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1r15 s ILE 193 CO 0.06 0.30 0.31 -0.69 0.00 0.00 0.00 174.94 174.92 1r15 s VAL 194 N 1.30 5.29 -0.23 2.92 1.01 0.97 -1.14 120.40 130.52 1r15 s VAL 194 Ca 0.00 0.59 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 1r15 s VAL 194 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1r15 s VAL 194 CO -0.10 0.39 0.13 -0.22 0.00 0.00 0.00 175.10 175.30 1r15 s LEU 195 N 0.46 3.94 -0.67 3.92 0.20 0.59 -1.17 118.68 125.96 1r15 s LEU 195 Ca 0.17 0.04 -0.06 0.00 0.69 0.00 0.00 54.13 54.98 1r15 s LEU 195 Cb -0.13 -2.05 0.17 0.00 -0.43 0.00 0.00 46.19 43.75 1r15 s LEU 195 CO 0.05 0.06 0.52 -1.00 -0.29 0.00 0.00 176.35 175.68 1r15 s HIS 196 N 1.07 3.50 0.22 5.38 3.76 -1.26 -0.35 115.29 127.60 1r15 s HIS 196 Ca 0.06 -2.51 -0.28 0.00 -0.15 0.00 0.00 55.06 52.18 1r15 s HIS 196 Cb -0.14 -3.36 -0.16 0.00 1.11 0.00 0.00 32.58 30.03 1r15 s HIS 196 CO 0.04 -0.88 0.63 0.54 -0.85 0.00 0.00 174.74 174.22 1r15 n ARG 197 N 3.66 0.30 -1.94 1.40 1.74 -1.26 -4.81 116.66 115.74 1r15 n ARG 197 Ca 0.09 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1r15 n ARG 197 Cb 0.40 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 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 2.41 4.37 -1.35 0.55 1.43 -1.26 -2.93 118.68 121.90 1r15 s LEU 198 Ca 0.63 2.81 -0.04 0.00 -1.03 0.00 0.00 54.13 56.50 1r15 s LEU 198 Cb -0.88 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1r15 s LEU 198 CO 0.57 -0.75 0.56 0.61 0.23 0.00 0.00 176.35 177.57 1r15 n GLY 199 N 1.52 -0.36 3.04 -3.19 0.00 -1.26 -5.00 105.19 99.93 1r15 n GLY 199 Ca 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.58 0.91 0.17 1.61 0.41 -1.15 -5.10 118.70 109.96 1r15 s GLU 200 Ca 0.28 -0.36 -0.33 0.00 -0.41 0.00 0.00 54.97 54.15 1r15 s GLU 200 Cb -0.12 -0.87 -0.13 0.00 -1.78 0.00 0.00 34.13 31.23 1r15 s GLU 200 CO 0.35 0.19 1.64 1.17 -0.49 0.00 0.00 175.26 178.12 1r15 n LYS 201 N 2.97 2.38 -2.19 1.61 4.81 -1.26 -4.86 118.16 121.62 1r15 n LYS 201 Ca -0.15 0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 57.73 1r15 n LYS 201 Cb 0.56 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 32.92 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 1.11 3.27 -0.16 3.15 1.01 -1.26 -4.68 121.20 123.64 1r15 s ILE 202 Ca 0.78 0.95 -0.06 0.00 0.00 0.00 0.00 60.65 62.32 1r15 s ILE 202 Cb -0.62 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 1r15 s ILE 202 CO 0.36 0.10 -0.19 -0.38 0.00 0.00 0.00 174.94 174.83 1r15 n ILE 203 N 3.46 0.89 -4.24 2.92 2.08 0.41 -5.00 119.36 119.88 1r15 n ILE 203 Ca 0.09 -0.25 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1r15 n ILE 203 Cb 0.42 -1.57 -0.09 0.00 -0.75 0.00 0.00 39.64 37.65 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 -2.30 2.28 0.03 0.38 0.41 0.49 -5.01 118.70 114.99 1r15 s GLU 204 Ca -0.22 -0.94 -0.01 0.00 -0.41 0.00 0.00 54.97 53.39 1r15 s GLU 204 Cb 0.08 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 30.02 1r15 s GLU 204 CO 0.30 0.53 -0.02 0.15 -0.49 0.00 0.00 175.26 175.73 1r15 s LYS 205 N -2.13 0.43 0.60 1.61 1.02 -1.26 -4.84 119.74 115.17 1r15 s LYS 205 Ca 0.22 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 1r15 s LYS 205 Cb -0.11 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1r15 s LYS 205 CO 0.14 -0.08 1.27 0.00 -0.92 0.00 0.00 175.35 175.76 1r15 n GLY 207 N 0.92 0.19 3.16 0.00 0.00 -1.26 -4.93 105.19 103.27 1r15 n GLY 207 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.40 0.96 0.00 4.61 0.00 -0.90 -4.60 121.76 120.42 1r15 s ALA 208 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1r15 s ALA 208 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1r15 s ALA 208 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1r15 n GLY 209 N 0.02 2.52 0.23 0.00 0.00 -1.26 -1.69 105.19 105.01 1r15 n GLY 209 Ca -0.13 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 3.21 0.00 -0.45 1.61 4.64 -1.92 -2.17 113.55 118.48 1r15 h SER 210 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 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 0.20 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.05 1r15 h LEU 211 N 0.00 0.86 -0.71 5.97 -0.00 -1.59 0.12 115.31 119.96 1r15 h LEU 211 Ca -0.00 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 57.54 1r15 h LEU 211 Cb 0.43 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1r15 h LEU 211 CO 0.03 0.94 -0.07 0.25 -0.00 0.00 0.00 178.44 179.59 1r15 h LEU 212 N 0.81 0.91 -0.35 1.67 7.12 -0.73 -0.74 115.31 124.00 1r15 h LEU 212 Ca 0.15 -0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.82 1r15 h LEU 212 Cb 0.54 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1r15 h LEU 212 CO 0.03 1.01 -0.03 0.44 -0.13 0.00 0.00 178.44 179.76 1r15 h ASP 213 N 0.84 0.64 -0.51 1.25 3.32 -0.98 -2.73 116.42 118.24 1r15 h ASP 213 Ca 0.14 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1r15 h ASP 213 Cb 0.59 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1r15 h ASP 213 CO 0.04 0.82 0.29 0.25 -1.72 0.00 0.00 179.24 178.92 1r15 h LEU 214 N 0.45 0.46 -0.26 1.55 5.85 -0.55 0.15 115.31 122.95 1r15 h LEU 214 Ca 0.10 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1r15 h LEU 214 Cb 0.51 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1r15 h LEU 214 CO 0.02 0.33 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.26 1r15 h GLU 215 N 0.58 -0.07 0.08 1.25 4.81 -1.01 0.77 114.58 120.99 1r15 h GLU 215 Ca 0.21 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1r15 h GLU 215 Cb 0.05 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1r15 h GLU 215 CO -0.11 -0.04 -0.04 0.87 -0.73 0.00 0.00 179.01 178.96 1r15 h LYS 216 N -0.07 -0.10 -0.95 1.92 1.57 -1.14 -0.55 116.57 117.25 1r15 h LYS 216 Ca 0.14 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.06 1r15 h LYS 216 Cb 0.28 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1r15 h LYS 216 CO -0.31 -0.05 0.57 1.25 -0.57 0.00 0.00 179.45 180.34 1r15 h LEU 217 N -0.13 0.79 -0.00 2.94 5.85 -0.13 0.16 115.31 124.79 1r15 h LEU 217 Ca -0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r15 h LEU 217 Cb 0.10 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1r15 h LEU 217 CO 0.02 0.38 -0.01 0.58 -0.34 0.00 0.00 178.44 179.07 1r15 h VAL 218 N 0.85 1.45 0.00 1.05 2.07 0.98 -2.35 116.25 120.30 1r15 h VAL 218 Ca 0.50 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1r15 h VAL 218 Cb 0.60 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1r15 h VAL 218 CO -0.31 0.35 -0.03 0.11 0.02 0.00 0.00 177.57 177.70 1r15 h LYS 219 N -0.55 0.00 0.00 1.57 1.57 -0.76 -0.89 116.57 117.50 1r15 h LYS 219 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r15 h LYS 219 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1r15 h LYS 219 CO 0.00 0.03 -0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1r15 h ALA 220 N 1.97 -0.00 0.00 3.86 0.00 -0.44 -0.52 119.26 124.11 1r15 h ALA 220 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r15 h ALA 220 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r15 h ALA 220 CO 0.00 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 180.47 1r15 n LYS 221 N -5.01 0.53 -2.98 0.00 5.02 -0.37 -4.82 118.16 110.53 1r15 n LYS 221 Ca -0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1r15 n LYS 221 Cb 0.11 -1.14 0.05 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.64 -1.49 -4.42 2.13 8.25 -0.20 -5.03 115.22 113.81 1r15 n HIS 222 Ca 0.03 0.59 -0.25 0.00 -0.26 0.00 0.00 57.72 57.84 1r15 n HIS 222 Cb 0.02 -3.76 -0.11 0.00 1.12 0.00 0.00 29.99 27.25 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 -3.21 2.21 0.75 4.41 0.08 -1.01 -5.00 117.98 116.21 1r15 s PHE 223 Ca 0.12 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 1r15 s PHE 223 Cb -0.05 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1r15 s PHE 223 CO 0.45 0.53 1.10 0.00 -0.10 0.00 0.00 175.22 177.20 1r15 s ALA 224 N -2.00 2.57 -0.04 5.36 0.00 -0.60 -4.00 121.76 123.06 1r15 s ALA 224 Ca 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1r15 s ALA 224 Cb -0.07 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1r15 s ALA 224 CO 0.11 -1.45 0.09 0.12 0.00 0.00 0.00 175.76 174.63 1r15 s PHE 225 N -3.27 -0.10 0.23 0.00 5.36 -1.26 -1.54 117.98 117.41 1r15 s PHE 225 Ca 0.60 0.28 0.05 0.00 -0.96 0.00 0.00 56.93 56.89 1r15 s PHE 225 Cb -0.13 -0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.48 1r15 s PHE 225 CO 0.53 -0.08 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.66 1r15 s ASP 226 N 0.40 2.15 -0.28 6.13 1.01 -0.81 -4.97 116.67 120.30 1r15 s ASP 226 Ca -0.03 -1.17 -0.19 0.00 0.71 0.00 0.00 52.55 51.86 1r15 s ASP 226 Cb -0.04 -0.05 0.10 0.00 1.01 0.00 0.00 42.92 43.93 1r15 s ASP 226 CO -0.02 -0.42 0.82 0.00 0.21 0.00 0.00 175.17 175.77 1r15 s VAL 228 N 1.07 0.06 -0.19 0.00 -7.23 -0.48 -4.95 120.40 108.68 1r15 s VAL 228 Ca -0.05 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.54 1r15 s VAL 228 Cb -0.05 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1r15 s VAL 228 CO -0.12 -0.29 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.74 1r15 s GLU 229 N -0.88 3.58 -1.07 4.82 2.02 -1.26 -0.02 118.70 125.89 1r15 s GLU 229 Ca -0.10 -0.55 -0.22 0.00 0.02 0.00 0.00 54.97 54.13 1r15 s GLU 229 Cb -0.06 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1r15 s GLU 229 CO -0.00 0.05 0.66 0.09 0.02 0.00 0.00 175.26 176.08 1r15 n ASN 230 N 4.11 -4.46 -4.76 -0.19 4.13 -0.32 -4.87 115.26 108.91 1r15 n ASN 230 Ca -0.17 -1.17 -0.39 0.00 1.68 0.00 0.00 54.58 54.52 1r15 n ASN 230 Cb 0.52 -1.74 0.02 0.00 -1.54 0.00 0.00 39.78 37.04 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 -6.49 3.52 0.28 3.52 0.04 -1.26 -4.44 135.00 130.16 1r15 s PRO 231 Ca 0.32 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1r15 s PRO 231 Cb -0.17 -2.52 0.66 0.00 0.04 0.00 0.00 34.50 32.51 1r15 s PRO 231 CO 0.94 -0.92 1.65 0.00 0.04 0.00 0.00 177.00 178.71 1r15 h ARG 232 N 2.04 0.19 -0.57 4.56 3.08 -1.98 0.15 114.38 121.84 1r15 h ARG 232 Ca -0.51 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.64 1r15 h ARG 232 Cb 1.28 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 1r15 h ARG 232 CO 0.60 0.12 0.08 0.00 -1.07 0.00 0.00 179.97 179.70 1r15 h ALA 233 N 1.77 0.63 -0.16 0.04 0.00 -2.01 -0.46 119.26 119.07 1r15 h ALA 233 Ca 0.52 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.45 1r15 h ALA 233 Cb 1.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r15 h ALA 233 CO -0.66 -0.34 -0.41 0.28 0.00 0.00 0.00 179.25 178.13 1r15 h VAL 234 N 0.20 1.35 -0.44 0.00 2.07 -1.20 -3.13 116.25 115.10 1r15 h VAL 234 Ca 0.30 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 66.23 1r15 h VAL 234 Cb 0.45 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 1r15 h VAL 234 CO -0.42 0.51 -0.00 0.25 0.02 0.00 0.00 177.57 177.93 1r15 h LEU 235 N 0.19 -0.19 -1.53 2.57 5.85 -0.19 0.50 115.31 122.51 1r15 h LEU 235 Ca -0.01 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1r15 h LEU 235 Cb 1.02 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1r15 h LEU 235 CO 0.09 -0.06 0.44 -0.26 -0.34 0.00 0.00 178.44 178.31 1r15 h PHE 236 N 0.11 0.57 -0.45 1.25 0.04 -1.13 0.66 116.94 117.98 1r15 h PHE 236 Ca 0.22 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 1r15 h PHE 236 Cb 0.32 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1r15 h PHE 236 CO -0.29 0.27 0.13 1.25 -0.60 0.00 0.00 178.31 179.08 1r15 h LEU 237 N 0.54 0.66 -0.77 1.54 5.85 -0.87 -1.69 115.31 120.56 1r15 h LEU 237 Ca 0.30 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1r15 h LEU 237 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1r15 h LEU 237 CO -0.10 0.70 0.34 -0.07 -0.34 0.00 0.00 178.44 178.98 1r15 h LEU 238 N 0.59 1.03 -1.53 2.25 3.38 -0.18 -2.57 115.31 118.29 1r15 h LEU 238 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1r15 h LEU 238 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1r15 h LEU 238 CO -0.00 0.90 0.13 0.00 0.09 0.00 0.00 178.44 179.55 1r15 h SER 240 N 0.44 0.56 0.61 0.00 0.87 -0.89 0.22 113.55 115.37 1r15 h SER 240 Ca 0.11 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1r15 h SER 240 Cb 0.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1r15 h SER 240 CO -0.01 0.34 -0.03 0.47 -0.53 0.00 0.00 176.83 177.07 1r15 n ASP 241 N -4.79 0.08 -2.82 6.23 9.92 -1.05 -4.35 116.55 119.77 1r15 n ASP 241 Ca 0.10 -0.10 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1r15 n ASP 241 Cb 0.22 -0.28 0.01 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.28 -2.97 -0.17 -2.24 4.05 -0.39 -5.02 115.26 107.23 1r15 n ASN 242 Ca 0.13 -2.98 0.03 0.00 0.45 0.00 0.00 54.58 52.21 1r15 n ASN 242 Cb 0.27 1.53 0.31 0.00 1.23 0.00 0.00 39.78 43.11 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 4.73 0.84 0.00 1.20 0.11 -1.21 -2.88 132.00 134.79 1r15 h PRO 243 Ca 0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1r15 h PRO 243 Cb 1.07 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1r15 h PRO 243 CO 0.14 0.55 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.41 1r15 h ASN 244 N 0.86 0.00 -0.95 -2.05 4.21 -1.96 -3.44 115.58 112.25 1r15 h ASN 244 Ca 0.27 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 57.11 1r15 h ASN 244 Cb 0.01 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 37.31 1r15 h ASN 244 CO -0.07 0.17 -0.36 0.00 -1.29 0.00 0.00 177.43 175.87 1r15 n ALA 245 N -2.18 -2.97 -0.30 -0.83 0.00 -1.09 -4.81 120.51 108.33 1r15 n ALA 245 Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.94 1r15 n ALA 245 Cb 0.42 -1.57 0.23 0.00 0.00 0.00 0.00 19.45 18.54 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 1.43 1.02 0.00 0.00 1.12 -1.91 -1.84 114.38 114.19 1r15 h ARG 246 Ca -0.32 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.49 1r15 h ARG 246 Cb 1.37 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1r15 h ARG 246 CO 0.56 0.67 0.00 0.39 -3.11 0.00 0.00 179.97 178.48 1r15 n GLU 247 N -4.48 0.51 -0.05 0.20 4.71 -1.26 -2.66 120.64 117.61 1r15 n GLU 247 Ca 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.31 1r15 n GLU 247 Cb 0.18 -1.38 0.05 0.00 -1.01 0.00 0.00 31.44 29.29 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 0.22 1.84 -2.93 0.00 1.74 -1.09 -4.91 116.66 111.52 1r15 n ARG 249 Ca 0.05 0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 57.39 1r15 n ARG 249 Cb 0.25 -2.40 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 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 1.03 4.52 0.00 0.55 1.43 -1.26 -5.16 118.68 119.80 1r15 s LEU 250 Ca 0.82 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1r15 s LEU 250 Cb -0.77 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1r15 s LEU 250 CO 0.42 0.09 0.19 0.00 0.23 0.00 0.00 176.35 177.28