#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r12 s VAL 2 N 0.00 5.03 0.74 9.51 1.01 -1.26 -1.24 120.40 134.18 1r12 s VAL 2 Ca 0.00 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1r12 s VAL 2 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1r12 s VAL 2 CO 0.00 0.13 1.12 -2.16 0.00 0.00 0.00 175.10 174.19 1r12 s PRO 3 N 1.75 2.59 0.17 2.72 0.04 -1.26 -4.89 135.00 136.11 1r12 s PRO 3 Ca 0.30 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1r12 s PRO 3 Cb -0.16 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1r12 s PRO 3 CO 0.11 -1.21 1.50 0.99 0.04 0.00 0.00 177.00 178.43 1r12 s THR 4 N -3.39 2.78 0.60 1.26 2.01 -0.23 -4.86 115.64 113.81 1r12 s THR 4 Ca 0.59 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 1r12 s THR 4 Cb -0.11 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1r12 s THR 4 CO 0.51 0.05 1.07 -0.13 -0.69 0.00 0.00 174.62 175.43 1r12 s ARG 5 N 0.82 3.26 -1.39 4.92 0.52 -1.26 -4.04 118.95 121.78 1r12 s ARG 5 Ca 0.67 1.25 -0.01 0.00 -0.52 0.00 0.00 55.73 57.11 1r12 s ARG 5 Cb -0.42 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1r12 s ARG 5 CO 0.33 -0.86 0.55 0.39 0.02 0.00 0.00 175.30 175.73 1r12 n GLU 6 N -2.02 -3.93 -0.16 3.54 1.02 -1.26 -4.77 120.64 113.05 1r12 n GLU 6 Ca 0.09 0.48 -0.02 0.00 -0.02 0.00 0.00 57.16 57.69 1r12 n GLU 6 Cb 0.53 -4.81 0.07 0.00 -0.02 0.00 0.00 31.44 27.21 1r12 n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r12 h LEU 7 N -1.85 0.09 -0.48 -4.62 5.85 -1.98 0.28 115.31 112.59 1r12 h LEU 7 Ca -0.62 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1r12 h LEU 7 Cb 1.37 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1r12 h LEU 7 CO 0.61 0.07 0.20 -0.08 -0.34 0.00 0.00 178.44 178.90 1r12 h GLU 8 N 0.29 0.71 -0.72 1.25 4.81 -1.95 0.46 114.58 119.44 1r12 h GLU 8 Ca 0.25 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1r12 h GLU 8 Cb 0.31 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1r12 h GLU 8 CO -0.29 0.63 0.36 -0.91 -0.73 0.00 0.00 179.01 178.07 1r12 h ASN 9 N 0.63 0.94 -0.22 1.04 2.35 -1.65 0.41 115.58 119.08 1r12 h ASN 9 Ca 0.16 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1r12 h ASN 9 Cb 0.18 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1r12 h ASN 9 CO -0.01 0.80 -0.02 0.58 -1.65 0.00 0.00 177.43 177.13 1r12 h VAL 10 N 1.01 1.27 -0.06 2.81 2.07 -0.73 -0.23 116.25 122.39 1r12 h VAL 10 Ca 0.25 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1r12 h VAL 10 Cb 0.10 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1r12 h VAL 10 CO -0.03 0.29 -0.04 0.15 0.02 0.00 0.00 177.57 177.96 1r12 h PHE 11 N 0.16 -0.08 -0.47 1.57 3.04 -0.65 -0.56 116.94 119.94 1r12 h PHE 11 Ca 0.06 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1r12 h PHE 11 Cb 0.44 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1r12 h PHE 11 CO 0.04 -0.06 0.13 -0.07 -2.02 0.00 0.00 178.31 176.33 1r12 h LEU 12 N -0.04 0.65 -0.22 0.59 3.38 -0.91 -0.32 115.31 118.44 1r12 h LEU 12 Ca 0.04 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1r12 h LEU 12 Cb 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1r12 h LEU 12 CO -0.08 0.64 -0.24 1.23 0.09 0.00 0.00 178.44 180.07 1r12 h GLY 13 N 0.88 0.60 1.18 0.83 0.00 -0.63 -2.07 103.07 103.87 1r12 h GLY 13 Ca 0.16 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1r12 h GLY 13 CO -0.01 0.57 0.19 3.21 0.00 0.00 0.00 176.54 180.50 1r12 h ARG 14 N 0.23 1.03 -0.65 4.80 3.08 -1.01 -0.82 114.38 121.04 1r12 h ARG 14 Ca 0.03 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1r12 h ARG 14 Cb 0.80 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1r12 h ARG 14 CO 0.06 0.89 0.30 0.00 -1.07 0.00 0.00 179.97 180.15 1r12 h LYS 16 N 0.91 0.64 -0.63 0.00 1.63 -1.30 0.10 116.57 117.92 1r12 h LYS 16 Ca 0.22 -0.45 0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1r12 h LYS 16 Cb 0.14 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1r12 h LYS 16 CO -0.03 1.07 0.38 0.22 -3.45 0.00 0.00 179.45 177.65 1r12 h ASP 17 N 0.32 0.61 0.14 4.20 3.58 -1.03 -2.13 116.42 122.11 1r12 h ASP 17 Ca -0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1r12 h ASP 17 Cb 1.10 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1r12 h ASP 17 CO 0.10 0.42 -0.07 0.22 -2.88 0.00 0.00 179.24 177.04 1r12 h TYR 18 N 0.74 -0.17 -0.52 0.28 5.03 -0.64 -0.09 116.97 121.60 1r12 h TYR 18 Ca 0.26 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.67 1r12 h TYR 18 Cb 0.04 0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.28 1r12 h TYR 18 CO -0.06 0.05 -0.14 1.49 -1.32 0.00 0.00 178.16 178.19 1r12 h GLU 19 N -0.38 -0.01 0.00 1.82 4.81 -0.66 -1.43 114.58 118.73 1r12 h GLU 19 Ca -0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1r12 h GLU 19 Cb 0.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1r12 h GLU 19 CO 0.03 -0.00 -1.19 0.82 -0.73 0.00 0.00 179.01 177.94 1r12 h ILE 20 N -0.01 0.55 0.00 2.32 1.08 -1.36 -3.43 117.51 116.66 1r12 h ILE 20 Ca 0.25 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1r12 h ILE 20 Cb 0.39 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1r12 h ILE 20 CO -0.54 0.31 -0.00 0.35 -0.69 0.00 0.00 178.15 177.58 1r12 n THR 21 N -2.95 0.00 -4.44 -0.27 -2.24 -0.05 -5.01 114.28 99.32 1r12 n THR 21 Ca -0.06 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1r12 n THR 21 Cb 0.80 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.93 1r12 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1r12 s ARG 22 N -0.41 2.90 -1.21 -0.78 1.81 -0.56 -4.58 118.95 116.12 1r12 s ARG 22 Ca 0.00 -0.47 -0.04 0.00 -1.72 0.00 0.00 55.73 53.50 1r12 s ARG 22 Cb 0.00 -2.72 0.03 0.00 -0.45 0.00 0.00 34.95 31.80 1r12 s ARG 22 CO 0.00 0.69 0.26 0.66 -0.68 0.00 0.00 175.30 176.23 1r12 n TYR 23 N 2.10 -1.62 -0.13 -0.53 4.02 -1.26 -4.81 117.16 114.92 1r12 n TYR 23 Ca -0.18 0.24 0.12 0.00 -0.01 0.00 0.00 57.90 58.08 1r12 n TYR 23 Cb 0.53 -3.05 0.48 0.00 -0.02 0.00 0.00 39.34 37.28 1r12 n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1r12 h LEU 24 N -0.54 0.42 -3.08 7.72 3.38 -1.83 -1.24 115.31 120.14 1r12 h LEU 24 Ca -0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1r12 h LEU 24 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1r12 h LEU 24 CO 0.45 0.24 0.00 0.47 0.09 0.00 0.00 178.44 179.69 1r12 n ASP 25 N -4.48 3.22 -0.05 -0.43 8.00 -1.26 -4.64 116.55 116.91 1r12 n ASP 25 Ca 0.12 -2.58 -0.09 0.00 0.71 0.00 0.00 54.79 52.95 1r12 n ASP 25 Cb 0.41 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 1r12 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r12 n ILE 26 N -0.25 0.60 -4.25 0.53 5.41 -0.59 -5.07 119.36 115.74 1r12 n ILE 26 Ca 0.15 -0.19 -0.21 0.00 1.00 0.00 0.00 62.75 63.50 1r12 n ILE 26 Cb 0.65 -1.20 -0.12 0.00 -0.71 0.00 0.00 39.64 38.25 1r12 n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1r12 s LEU 27 N -6.03 2.27 0.75 1.39 1.43 -0.57 -4.73 118.68 113.19 1r12 s LEU 27 Ca -0.15 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1r12 s LEU 27 Cb 0.05 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1r12 s LEU 27 CO 0.22 -0.00 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 1r12 s PRO 28 N -1.74 2.47 0.56 1.29 0.04 -1.26 -4.66 135.00 131.69 1r12 s PRO 28 Ca 0.02 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 1r12 s PRO 28 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1r12 s PRO 28 CO 0.03 -1.41 1.01 1.03 0.04 0.00 0.00 177.00 177.70 1r12 s ARG 29 N -5.05 3.74 -0.00 4.56 1.81 -1.26 -4.94 118.95 117.81 1r12 s ARG 29 Ca 0.60 0.95 -0.12 0.00 -1.72 0.00 0.00 55.73 55.44 1r12 s ARG 29 Cb -0.15 -2.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.20 1r12 s ARG 29 CO 0.55 -0.45 0.36 0.08 -0.68 0.00 0.00 175.30 175.16 1r12 s VAL 30 N -2.72 5.13 0.18 3.52 1.01 -1.26 -5.02 120.40 121.23 1r12 s VAL 30 Ca 0.59 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 63.16 1r12 s VAL 30 Cb -0.11 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1r12 s VAL 30 CO 0.38 0.52 1.49 0.03 0.00 0.00 0.00 175.10 177.52 1r12 h ARG 31 N 4.54 0.64 -6.92 2.72 3.08 -1.95 -3.45 114.38 113.04 1r12 h ARG 31 Ca -0.52 -0.39 -0.52 0.00 0.07 0.00 0.00 59.98 58.62 1r12 h ARG 31 Cb 1.22 0.04 0.07 0.00 0.08 0.00 0.00 29.97 31.38 1r12 h ARG 31 CO 0.62 1.01 0.61 -1.12 -1.07 0.00 0.00 179.97 180.02 1r12 s SER 32 N -6.92 6.55 0.68 7.04 0.01 -1.26 -4.99 113.70 114.81 1r12 s SER 32 Ca -0.08 2.64 -0.14 0.00 1.31 0.00 0.00 55.95 59.67 1r12 s SER 32 Cb 0.11 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1r12 s SER 32 CO 0.85 -0.68 1.11 -0.62 0.41 0.00 0.00 173.24 174.31 1r12 s ASP 33 N -0.66 4.95 0.33 2.44 2.15 -1.26 -4.83 116.67 119.79 1r12 s ASP 33 Ca 0.53 1.99 0.02 0.00 0.43 0.00 0.00 52.55 55.52 1r12 s ASP 33 Cb -0.38 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.29 1r12 s ASP 33 CO 0.50 -1.74 1.97 0.00 -0.17 0.00 0.00 175.17 175.72 1r12 h SER 35 N 0.93 0.80 -0.27 0.00 4.64 -1.97 -0.26 113.55 117.42 1r12 h SER 35 Ca 0.30 -0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 1r12 h SER 35 Cb 0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1r12 h SER 35 CO -0.09 0.77 -0.32 0.00 -0.87 0.00 0.00 176.83 176.32 1r12 h ALA 36 N 1.34 0.76 -0.54 5.18 0.00 -1.49 -2.14 119.26 122.37 1r12 h ALA 36 Ca 0.19 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1r12 h ALA 36 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1r12 h ALA 36 CO -0.00 0.65 -0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1r12 h LEU 37 N 0.66 0.93 -0.29 0.00 3.38 -0.82 -1.89 115.31 117.28 1r12 h LEU 37 Ca 0.07 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1r12 h LEU 37 Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1r12 h LEU 37 CO 0.08 1.01 0.19 -0.25 0.09 0.00 0.00 178.44 179.55 1r12 h TRP 38 N 0.83 0.38 -0.81 1.13 2.91 -0.94 -0.99 115.95 118.46 1r12 h TRP 38 Ca 0.15 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.27 1r12 h TRP 38 Cb 0.53 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.99 1r12 h TRP 38 CO 0.04 0.26 0.46 0.87 -1.03 0.00 0.00 178.44 179.04 1r12 h LYS 39 N 0.39 0.74 -0.29 2.65 1.57 -1.15 0.13 116.57 120.61 1r12 h LYS 39 Ca 0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1r12 h LYS 39 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1r12 h LYS 39 CO -0.02 0.49 0.10 -0.44 -0.57 0.00 0.00 179.45 179.01 1r12 h ASP 40 N 0.77 0.42 -0.17 0.86 3.32 -0.96 -1.13 116.42 119.53 1r12 h ASP 40 Ca 0.39 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1r12 h ASP 40 Cb 0.36 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1r12 h ASP 40 CO -0.25 0.50 0.09 0.15 -1.72 0.00 0.00 179.24 178.02 1r12 h PHE 41 N 0.31 0.24 -0.15 4.55 3.57 -0.80 -2.04 116.94 122.63 1r12 h PHE 41 Ca 0.09 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1r12 h PHE 41 Cb 0.23 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1r12 h PHE 41 CO 0.00 0.23 -0.30 0.35 -2.23 0.00 0.00 178.31 176.36 1r12 h PHE 42 N 0.18 0.32 -0.07 0.41 3.57 -0.68 -2.32 116.94 118.36 1r12 h PHE 42 Ca 0.06 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r12 h PHE 42 Cb 0.07 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1r12 h PHE 42 CO -0.04 0.57 -0.47 -0.22 -2.23 0.00 0.00 178.31 175.91 1r12 h LYS 43 N 0.25 0.17 -0.71 1.11 3.64 -1.09 -1.27 116.57 118.67 1r12 h LYS 43 Ca 0.04 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1r12 h LYS 43 Cb 0.67 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1r12 h LYS 43 CO 0.05 0.61 0.43 0.00 -2.27 0.00 0.00 179.45 178.28 1r12 h ALA 44 N 1.38 0.91 0.00 5.00 0.00 -0.78 -3.35 119.26 122.41 1r12 h ALA 44 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r12 h ALA 44 Cb 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1r12 h ALA 44 CO 0.07 0.37 -0.64 1.97 0.00 0.00 0.00 179.25 181.02 1r12 n PHE 45 N -4.54 0.00 -2.29 0.00 -1.74 -1.18 -4.78 117.46 102.93 1r12 n PHE 45 Ca 0.06 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.62 1r12 n PHE 45 Cb 0.05 -0.05 -0.01 0.00 1.52 0.00 0.00 39.48 40.99 1r12 n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r12 s SER 46 N -2.04 6.00 -1.69 5.98 1.04 -0.49 -3.35 113.70 119.15 1r12 s SER 46 Ca 0.01 1.92 -0.02 0.00 0.48 0.00 0.00 55.95 58.34 1r12 s SER 46 Cb 0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1r12 s SER 46 CO 0.30 -1.02 0.27 0.49 0.98 0.00 0.00 173.24 174.26 1r12 n PHE 47 N -1.47 -1.43 -4.22 5.02 3.72 -0.46 -4.94 117.46 113.67 1r12 n PHE 47 Ca 0.09 0.23 -0.17 0.00 -0.05 0.00 0.00 57.45 57.56 1r12 n PHE 47 Cb 0.52 -4.22 -0.14 0.00 -0.94 0.00 0.00 39.48 34.71 1r12 n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r12 s LYS 48 N -5.34 0.61 0.24 -1.08 1.02 -1.21 -4.68 119.74 109.29 1r12 s LYS 48 Ca 0.13 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 1r12 s LYS 48 Cb -0.06 -0.55 -0.09 0.00 -0.52 0.00 0.00 37.83 36.61 1r12 s LYS 48 CO 0.17 0.14 1.34 1.21 -0.92 0.00 0.00 175.35 177.28 1r12 s ASN 49 N -0.63 6.83 0.44 2.83 3.84 -1.26 -3.17 114.94 123.82 1r12 s ASN 49 Ca -0.00 2.51 0.20 0.00 0.21 0.00 0.00 52.86 55.78 1r12 s ASN 49 Cb -0.05 -2.62 1.16 0.00 -0.55 0.00 0.00 41.25 39.19 1r12 s ASN 49 CO 0.00 -0.56 1.88 -0.65 -2.79 0.00 0.00 177.10 174.98 1r12 h PRO 50 N 4.91 0.31 0.00 0.43 0.11 -1.93 -0.48 132.00 135.36 1r12 h PRO 50 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r12 h PRO 50 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1r12 h PRO 50 CO 0.75 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1r12 n ASP 52 N -1.33 1.49 -4.73 0.00 8.00 -0.19 -4.52 116.55 115.27 1r12 n ASP 52 Ca 0.08 -1.18 -0.31 0.00 0.71 0.00 0.00 54.79 54.09 1r12 n ASP 52 Cb 0.16 0.45 0.12 0.00 -0.02 0.00 0.00 41.12 41.83 1r12 n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r12 s LEU 53 N -2.60 2.97 0.00 0.64 1.43 -1.06 -5.00 118.68 115.05 1r12 s LEU 53 Ca 0.18 1.99 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 1r12 s LEU 53 Cb 0.18 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1r12 s LEU 53 CO 0.61 -2.47 0.53 -0.90 0.23 0.00 0.00 176.35 174.35 1r12 n ASP 54 N -3.79 -1.51 0.20 2.29 5.68 -1.26 -3.38 116.55 114.78 1r12 n ASP 54 Ca 0.10 -2.68 0.18 0.00 -0.50 0.00 0.00 54.79 51.89 1r12 n ASP 54 Cb 0.53 2.70 0.83 0.00 -1.14 0.00 0.00 41.12 44.04 1r12 n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1r12 h LEU 55 N 0.00 0.00 -0.48 -2.12 5.85 -1.86 -1.53 115.31 115.17 1r12 h LEU 55 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1r12 h LEU 55 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1r12 h LEU 55 CO 0.36 0.00 -0.22 0.61 -0.34 0.00 0.00 178.44 178.84 1r12 n GLY 56 N -1.39 -0.62 0.25 3.75 0.00 -1.26 -4.34 105.19 101.57 1r12 n GLY 56 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1r12 n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r12 h SER 57 N 1.18 0.56 -0.67 1.61 0.02 -1.62 -2.46 113.55 112.17 1r12 h SER 57 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1r12 h SER 57 Cb 0.49 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1r12 h SER 57 CO 0.00 0.37 0.00 -1.22 -1.14 0.00 0.00 176.83 174.84 1r12 n TYR 58 N -4.77 0.90 -0.21 3.45 4.01 -1.26 -4.58 117.16 114.69 1r12 n TYR 58 Ca 0.08 -0.47 0.01 0.00 -0.16 0.00 0.00 57.90 57.35 1r12 n TYR 58 Cb 0.15 -0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.30 1r12 n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r12 h LYS 59 N 4.15 0.39 -0.13 -0.72 3.64 -1.64 -1.27 116.57 120.98 1r12 h LYS 59 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1r12 h LYS 59 Cb 0.97 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1r12 h LYS 59 CO 0.00 0.26 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.59 1r12 h ASP 60 N 0.40 0.31 -0.40 4.20 3.32 -1.82 -0.94 116.42 121.49 1r12 h ASP 60 Ca 0.33 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1r12 h ASP 60 Cb 0.44 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1r12 h ASP 60 CO -0.34 0.70 0.18 0.15 -1.72 0.00 0.00 179.24 178.20 1r12 h PHE 61 N 0.25 0.59 -0.20 4.55 3.57 -1.63 -1.77 116.94 122.30 1r12 h PHE 61 Ca 0.02 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r12 h PHE 61 Cb 0.84 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1r12 h PHE 61 CO 0.02 0.51 -0.29 0.74 -2.23 0.00 0.00 178.31 177.05 1r12 h PHE 62 N 0.50 0.45 -0.87 0.41 0.04 -1.02 0.62 116.94 117.07 1r12 h PHE 62 Ca 0.14 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1r12 h PHE 62 Cb 0.15 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 1r12 h PHE 62 CO -0.01 0.66 0.49 1.15 -0.60 0.00 0.00 178.31 179.99 1r12 h THR 63 N 0.35 1.25 -0.14 -1.55 2.02 -0.78 -0.77 112.91 113.29 1r12 h THR 63 Ca 0.05 -0.61 -0.16 0.00 0.77 0.00 0.00 66.41 66.46 1r12 h THR 63 Cb 0.70 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1r12 h THR 63 CO 0.05 0.28 -0.58 0.28 0.37 0.00 0.00 175.52 175.93 1r12 h SER 64 N 1.22 0.49 0.26 4.18 0.02 -0.54 -3.22 113.55 115.95 1r12 h SER 64 Ca 0.31 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1r12 h SER 64 Cb 0.02 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1r12 h SER 64 CO -0.05 0.96 -0.22 0.00 -1.14 0.00 0.00 176.83 176.37 1r12 n ALA 65 N -2.50 3.01 -2.44 3.77 0.00 0.14 -4.67 120.51 117.82 1r12 n ALA 65 Ca -0.03 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1r12 n ALA 65 Cb 0.61 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1r12 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r12 s GLN 66 N -2.50 4.55 0.03 0.00 2.00 -0.33 -4.61 119.66 118.80 1r12 s GLN 66 Ca 0.25 1.59 -0.00 0.00 -2.00 0.00 0.00 55.36 55.20 1r12 s GLN 66 Cb 0.19 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 1r12 s GLN 66 CO 0.51 -0.05 0.15 -0.65 -0.50 0.00 0.00 175.29 174.75 1r12 s GLN 67 N 0.63 3.26 0.34 1.67 -0.21 -1.26 -5.00 119.66 119.09 1r12 s GLN 67 Ca 0.53 -0.46 -0.28 0.00 0.02 0.00 0.00 55.36 55.17 1r12 s GLN 67 Cb -0.25 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.70 1r12 s GLN 67 CO 0.30 0.63 1.17 -0.65 -2.12 0.00 0.00 175.29 174.62 1r12 s GLN 68 N -2.18 4.34 -0.05 2.91 -0.21 -1.26 -4.97 119.66 118.24 1r12 s GLN 68 Ca 0.29 1.90 -0.01 0.00 0.02 0.00 0.00 55.36 57.57 1r12 s GLN 68 Cb -0.13 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 1r12 s GLN 68 CO 0.22 -0.09 0.00 -0.51 -2.12 0.00 0.00 175.29 172.79 1r12 s LEU 69 N -1.96 3.57 0.23 2.90 1.43 -1.26 -4.48 118.68 119.11 1r12 s LEU 69 Ca 0.51 0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.38 1r12 s LEU 69 Cb -0.33 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 43.87 1r12 s LEU 69 CO 0.42 0.34 1.66 -2.16 0.23 0.00 0.00 176.35 176.84 1r12 s PRO 70 N -1.16 4.14 0.37 1.29 0.04 -1.26 -4.69 135.00 133.74 1r12 s PRO 70 Ca 0.16 2.56 -0.27 0.00 0.04 0.00 0.00 61.00 63.49 1r12 s PRO 70 Cb -0.11 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.24 1r12 s PRO 70 CO 0.06 -0.69 1.37 0.36 0.04 0.00 0.00 177.00 178.13 1r12 n LYS 71 N 3.45 2.30 -0.84 4.56 2.85 -1.26 -2.63 118.16 126.58 1r12 n LYS 71 Ca 0.13 0.81 0.00 0.00 -1.05 0.00 0.00 58.31 58.20 1r12 n LYS 71 Cb 0.36 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 1r12 n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1r12 n ASN 72 N 0.50 -2.14 -0.16 -5.58 3.02 -0.26 -4.84 115.26 105.80 1r12 n ASN 72 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1r12 n ASN 72 Cb 0.38 -1.78 -0.03 0.00 -0.61 0.00 0.00 39.78 37.74 1r12 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r12 n LYS 73 N -1.42 2.48 -2.34 3.52 4.76 -1.08 -4.64 118.16 119.44 1r12 n LYS 73 Ca 0.00 -0.38 -0.41 0.00 -2.87 0.00 0.00 58.31 54.65 1r12 n LYS 73 Cb 0.13 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 1r12 n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r12 s VAL 74 N -1.79 3.34 0.00 -0.18 1.01 -1.26 -0.76 120.40 120.76 1r12 s VAL 74 Ca 0.08 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.34 1r12 s VAL 74 Cb 0.09 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1r12 s VAL 74 CO 0.38 0.25 -0.17 -0.32 0.00 0.00 0.00 175.10 175.24 1r12 s MET 75 N -0.93 1.27 0.21 2.72 0.00 -0.34 -1.72 119.30 120.50 1r12 s MET 75 Ca 0.50 -0.66 0.10 0.00 0.00 0.00 0.00 55.69 55.63 1r12 s MET 75 Cb -0.34 -1.26 -0.04 0.00 0.00 0.00 0.00 34.83 33.19 1r12 s MET 75 CO 0.41 0.34 -0.16 -0.06 0.00 0.00 0.00 175.02 175.55 1r12 s PHE 76 N -0.52 2.46 0.06 4.11 0.08 0.73 -4.48 117.98 120.42 1r12 s PHE 76 Ca 0.06 -0.29 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 1r12 s PHE 76 Cb -0.07 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1r12 s PHE 76 CO 0.00 0.55 0.11 1.67 -0.10 0.00 0.00 175.22 177.45 1r12 s TRP 77 N -1.86 0.24 -0.21 0.36 1.48 -1.26 -1.14 118.94 116.55 1r12 s TRP 77 Ca 0.25 -0.64 -0.06 0.00 -1.06 0.00 0.00 56.10 54.59 1r12 s TRP 77 Cb -0.08 -0.16 0.10 0.00 -1.16 0.00 0.00 33.47 32.18 1r12 s TRP 77 CO 0.13 -0.44 0.41 -1.12 -4.06 0.00 0.00 176.95 171.88 1r12 s SER 78 N -2.56 -0.13 0.00 -2.66 0.01 -0.33 -4.85 113.70 103.18 1r12 s SER 78 Ca 0.01 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1r12 s SER 78 Cb 0.03 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1r12 s SER 78 CO -0.08 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1r12 n GLY 79 N 5.38 1.01 2.62 3.44 0.00 -1.26 -2.86 105.19 113.53 1r12 n GLY 79 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1r12 n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r12 n VAL 80 N -2.00 1.37 -0.12 1.61 0.24 -1.26 -4.77 118.33 113.40 1r12 n VAL 80 Ca 0.00 -3.43 -0.05 0.00 -2.04 0.00 0.00 64.34 58.82 1r12 n VAL 80 Cb 0.00 0.34 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 1r12 n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r12 h TYR 81 N 2.81 -0.25 -0.47 6.34 5.03 -1.96 0.34 116.97 128.82 1r12 h TYR 81 Ca -0.01 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 1r12 h TYR 81 Cb 1.17 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.61 1r12 h TYR 81 CO 0.58 -0.19 0.00 -0.44 -1.32 0.00 0.00 178.16 176.79 1r12 h ASP 82 N -0.02 0.81 -0.45 -2.11 3.32 -1.99 -1.98 116.42 114.00 1r12 h ASP 82 Ca 0.19 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1r12 h ASP 82 Cb 0.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1r12 h ASP 82 CO -0.42 0.92 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.59 1r12 h GLU 83 N 0.68 0.85 -0.66 3.56 3.07 -1.90 -1.19 114.58 118.99 1r12 h GLU 83 Ca 0.13 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.64 1r12 h GLU 83 Cb 0.50 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1r12 h GLU 83 CO 0.02 0.95 0.27 0.00 -1.40 0.00 0.00 179.01 178.85 1r12 h ALA 84 N 0.87 0.86 -0.04 3.43 0.00 -0.87 -1.15 119.26 122.37 1r12 h ALA 84 Ca 0.12 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1r12 h ALA 84 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1r12 h ALA 84 CO 0.04 0.47 -0.64 0.45 0.00 0.00 0.00 179.25 179.57 1r12 h HIS 85 N 0.93 0.19 -0.43 0.00 3.86 -1.28 0.59 115.15 119.02 1r12 h HIS 85 Ca 0.22 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 1r12 h HIS 85 Cb 0.20 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1r12 h HIS 85 CO 0.01 0.75 -0.25 -0.44 0.86 0.00 0.00 177.93 178.86 1r12 h ASP 86 N 0.10 0.96 -0.06 2.45 3.32 -1.00 -2.06 116.42 120.12 1r12 h ASP 86 Ca -0.01 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.48 1r12 h ASP 86 Cb 1.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1r12 h ASP 86 CO 0.09 1.17 -0.45 0.22 -1.72 0.00 0.00 179.24 178.55 1r12 h TYR 87 N 0.75 0.74 0.00 4.55 3.20 -0.97 -2.77 116.97 122.46 1r12 h TYR 87 Ca 0.09 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 1r12 h TYR 87 Cb 0.83 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1r12 h TYR 87 CO 0.06 0.95 -0.32 0.00 -1.64 0.00 0.00 178.16 177.20 1r12 h ALA 88 N 1.01 1.40 -5.53 1.82 0.00 -0.79 -3.43 119.26 113.74 1r12 h ALA 88 Ca 0.03 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1r12 h ALA 88 Cb 0.98 -0.05 0.19 0.00 0.00 0.00 0.00 17.79 18.90 1r12 h ALA 88 CO 0.09 0.41 -0.84 -1.71 0.00 0.00 0.00 179.25 177.19 1r12 n ASN 89 N -4.06 -5.44 -4.03 0.00 4.05 -0.78 -1.39 115.26 103.61 1r12 n ASN 89 Ca -0.02 -0.70 -0.30 0.00 0.45 0.00 0.00 54.58 54.01 1r12 n ASN 89 Cb 0.38 -5.12 -0.01 0.00 1.23 0.00 0.00 39.78 36.25 1r12 n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1r12 n THR 90 N -3.49 -2.27 -0.14 -0.44 -1.04 -1.26 -1.86 114.28 103.78 1r12 n THR 90 Ca -0.13 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1r12 n THR 90 Cb 0.63 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1r12 n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r12 n GLY 91 N -1.72 1.76 0.16 3.41 0.00 -1.18 -4.90 105.19 102.72 1r12 n GLY 91 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1r12 n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r12 h ARG 92 N 2.88 0.50 0.00 1.61 3.08 -1.33 -3.38 114.38 117.74 1r12 h ARG 92 Ca 0.00 -0.65 -0.45 0.00 0.07 0.00 0.00 59.98 58.95 1r12 h ARG 92 Cb 0.00 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1r12 h ARG 92 CO 0.00 1.27 -2.51 1.17 -1.07 0.00 0.00 179.97 178.83 1r12 n LYS 93 N -3.73 0.58 -4.12 0.04 4.81 -0.49 -5.04 118.16 110.21 1r12 n LYS 93 Ca -0.11 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1r12 n LYS 93 Cb 0.95 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.43 1r12 n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r12 s TYR 94 N -2.50 0.66 -0.08 5.64 2.02 -0.88 -4.93 117.35 117.28 1r12 s TYR 94 Ca -0.37 -1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 55.14 1r12 s TYR 94 Cb 0.14 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1r12 s TYR 94 CO 0.48 -0.39 0.21 0.42 -1.57 0.00 0.00 175.55 174.70 1r12 s ILE 95 N -3.92 5.38 0.38 2.71 -1.09 0.06 -3.09 121.20 121.62 1r12 s ILE 95 Ca 0.12 0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.98 1r12 s ILE 95 Cb 0.08 -3.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.40 1r12 s ILE 95 CO -0.06 0.59 -0.04 0.42 -1.23 0.00 0.00 174.94 174.62 1r12 s THR 96 N -1.06 2.13 0.38 2.92 -4.23 -1.26 -1.20 115.64 113.32 1r12 s THR 96 Ca 0.18 -2.10 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1r12 s THR 96 Cb -0.13 -2.82 0.31 0.00 1.34 0.00 0.00 72.50 71.19 1r12 s THR 96 CO 0.07 -0.10 1.96 0.25 -0.54 0.00 0.00 174.62 176.26 1r12 h LEU 97 N 1.89 0.57 -0.45 4.79 5.85 -1.98 -1.37 115.31 124.61 1r12 h LEU 97 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1r12 h LEU 97 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1r12 h LEU 97 CO 0.75 0.35 0.00 -0.62 -0.34 0.00 0.00 178.44 178.59 1r12 n GLU 98 N -4.49 0.10 0.08 1.25 4.71 -1.26 -1.73 120.64 119.30 1r12 n GLU 98 Ca 0.11 0.39 0.12 0.00 -0.01 0.00 0.00 57.16 57.77 1r12 n GLU 98 Cb 0.29 -1.71 0.11 0.00 -1.01 0.00 0.00 31.44 29.13 1r12 n GLU 98 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1r12 h ASP 99 N 0.00 0.00 -4.35 1.62 3.32 -1.59 -3.14 116.42 112.28 1r12 h ASP 99 Ca 0.00 -0.14 -0.49 0.00 0.02 0.00 0.00 57.03 56.42 1r12 h ASP 99 Cb 0.24 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.89 1r12 h ASP 99 CO 0.00 0.07 0.36 0.42 -1.72 0.00 0.00 179.24 178.37 1r12 s THR 100 N -3.24 3.21 0.10 0.35 -4.23 -0.71 -4.81 115.64 106.31 1r12 s THR 100 Ca 0.04 0.39 -0.22 0.00 -1.18 0.00 0.00 61.69 60.72 1r12 s THR 100 Cb 0.12 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.61 1r12 s THR 100 CO 0.75 -0.51 1.75 0.25 -0.54 0.00 0.00 174.62 176.31 1r12 h LEU 101 N -0.95 0.05 -0.76 4.79 5.85 -1.85 0.13 115.31 122.57 1r12 h LEU 101 Ca -0.46 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1r12 h LEU 101 Cb 1.26 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1r12 h LEU 101 CO 0.61 0.03 -0.09 1.55 -0.34 0.00 0.00 178.44 180.20 1r12 h PRO 102 N 0.05 0.85 -0.64 5.25 0.13 -1.89 -0.48 132.00 135.28 1r12 h PRO 102 Ca 0.01 -0.28 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1r12 h PRO 102 Cb -0.00 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 1r12 h PRO 102 CO -0.00 0.91 0.16 0.78 -0.23 0.00 0.00 178.00 179.61 1r12 h GLY 103 N 0.97 1.09 0.98 1.56 0.00 -1.61 -2.13 103.07 103.94 1r12 h GLY 103 Ca 0.13 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 1r12 h GLY 103 CO 0.04 0.64 -0.15 -1.82 0.00 0.00 0.00 176.54 175.25 1r12 h TYR 104 N 0.94 0.86 -0.68 5.60 5.03 -0.46 -0.87 116.97 127.39 1r12 h TYR 104 Ca 0.20 -0.20 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1r12 h TYR 104 Cb 0.35 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1r12 h TYR 104 CO 0.03 0.93 0.15 0.52 -1.32 0.00 0.00 178.16 178.46 1r12 h MET 105 N 0.54 1.09 -0.03 1.82 2.86 -0.96 -3.24 114.93 117.02 1r12 h MET 105 Ca 0.09 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1r12 h MET 105 Cb 0.68 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1r12 h MET 105 CO 0.05 0.97 -0.05 1.28 1.06 0.00 0.00 176.91 180.22 1r12 n LEU 106 N -4.23 2.69 -4.66 1.22 7.99 -0.81 -4.80 117.00 114.40 1r12 n LEU 106 Ca 0.05 -0.97 -0.51 0.00 -0.01 0.00 0.00 56.01 54.56 1r12 n LEU 106 Cb 0.27 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.52 1r12 n LEU 106 CO 0.42 0.46 1.19 -3.20 -1.51 0.00 0.00 177.39 174.76 1r12 n ASN 107 N 1.06 2.52 0.00 -1.43 5.15 -0.34 -1.56 115.26 120.67 1r12 n ASN 107 Ca 0.12 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 1r12 n ASN 107 Cb 0.52 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 1r12 n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r12 n SER 108 N 4.27 -2.00 -4.90 1.20 7.64 -1.26 -5.00 113.62 113.57 1r12 n SER 108 Ca 0.21 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.81 1r12 n SER 108 Cb 0.22 -1.91 0.01 0.00 -1.01 0.00 0.00 64.21 61.52 1r12 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r12 s LEU 109 N 0.00 3.47 -0.05 -3.43 1.43 -0.60 -5.04 118.68 114.46 1r12 s LEU 109 Ca 0.00 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1r12 s LEU 109 Cb 0.00 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.22 1r12 s LEU 109 CO 0.00 -0.71 -0.10 -0.69 0.23 0.00 0.00 176.35 175.08 1r12 s VAL 110 N -2.89 0.92 0.22 -1.59 1.01 -1.26 -5.00 120.40 111.81 1r12 s VAL 110 Ca 0.50 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1r12 s VAL 110 Cb -0.11 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1r12 s VAL 110 CO 0.48 0.30 0.44 -1.66 0.00 0.00 0.00 175.10 174.66 1r12 s TRP 111 N 0.62 0.30 -0.27 5.22 -2.14 -1.26 -1.06 118.94 120.34 1r12 s TRP 111 Ca -0.11 -0.66 -0.24 0.00 2.66 0.00 0.00 56.10 57.74 1r12 s TRP 111 Cb -0.14 0.17 0.07 0.00 -3.10 0.00 0.00 33.47 30.47 1r12 s TRP 111 CO 0.02 -0.93 0.73 0.00 -2.66 0.00 0.00 176.95 174.12 1r12 s GLY 113 N 0.48 1.69 0.11 0.00 0.00 -1.26 -1.81 107.32 106.53 1r12 s GLY 113 Ca -0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.65 1r12 s GLY 113 CO -0.01 -0.52 0.29 -0.86 0.00 0.00 0.00 173.10 172.00 1r12 s GLN 114 N -5.28 0.98 0.24 2.90 -2.07 -0.72 -4.25 119.66 111.46 1r12 s GLN 114 Ca 0.61 -0.89 0.12 0.00 -1.82 0.00 0.00 55.36 53.37 1r12 s GLN 114 Cb -0.10 0.40 0.13 0.00 -1.09 0.00 0.00 33.01 32.34 1r12 s GLN 114 CO 0.45 -0.35 1.47 0.00 -1.32 0.00 0.00 175.29 175.53 1r12 h ARG 115 N 2.57 0.00 -7.10 9.60 3.08 -1.84 -2.87 114.38 117.82 1r12 h ARG 115 Ca -0.33 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.22 1r12 h ARG 115 Cb 1.23 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.31 1r12 h ARG 115 CO 0.51 0.69 0.26 0.00 -1.07 0.00 0.00 179.97 180.36 1r12 s ALA 116 N -3.10 3.23 0.35 0.04 0.00 -1.26 -4.76 121.76 116.27 1r12 s ALA 116 Ca 0.01 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1r12 s ALA 116 Cb 0.10 -2.87 -0.12 0.00 0.00 0.00 0.00 23.12 20.23 1r12 s ALA 116 CO 0.77 -0.37 1.05 0.09 0.00 0.00 0.00 175.76 177.29 1r12 n ASN 117 N -2.10 1.49 -1.34 0.00 5.03 -1.26 0.10 115.26 117.18 1r12 n ASN 117 Ca 0.04 1.12 -0.02 0.00 0.87 0.00 0.00 54.58 56.58 1r12 n ASN 117 Cb 0.54 -1.34 0.15 0.00 -1.02 0.00 0.00 39.78 38.11 1r12 n ASN 117 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1r12 n PRO 118 N 0.47 2.38 -0.49 3.52 -0.04 -1.26 -4.86 135.00 134.72 1r12 n PRO 118 Ca 0.09 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1r12 n PRO 118 Cb 0.36 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1r12 n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r12 n GLY 119 N 0.07 0.87 3.57 0.55 0.00 0.12 -4.85 105.19 105.51 1r12 n GLY 119 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1r12 n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r12 s PHE 120 N -3.03 -0.17 -0.11 1.61 -0.71 -1.26 -1.36 117.98 112.94 1r12 s PHE 120 Ca 0.00 -0.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.75 1r12 s PHE 120 Cb 0.00 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.28 1r12 s PHE 120 CO 0.00 -0.96 -0.19 1.21 -1.34 0.00 0.00 175.22 173.93 1r12 s ASN 121 N -2.87 2.76 -0.10 1.98 3.84 -0.75 -4.75 114.94 115.06 1r12 s ASN 121 Ca 0.09 -0.51 0.16 0.00 0.21 0.00 0.00 52.86 52.81 1r12 s ASN 121 Cb -0.02 -1.26 0.58 0.00 -0.55 0.00 0.00 41.25 40.00 1r12 s ASN 121 CO -0.02 0.08 1.50 -0.62 -2.79 0.00 0.00 177.10 175.24 1r12 n GLU 122 N 3.94 3.34 -0.00 0.43 1.02 -1.26 -4.47 120.64 123.64 1r12 n GLU 122 Ca -0.20 -2.67 -0.00 0.00 -0.02 0.00 0.00 57.16 54.26 1r12 n GLU 122 Cb 0.52 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1r12 n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r12 n LYS 123 N 0.67 1.62 -3.67 3.49 5.02 -1.26 -4.69 118.16 119.35 1r12 n LYS 123 Ca 0.21 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1r12 n LYS 123 Cb 0.77 -1.02 -0.08 0.00 -0.02 0.00 0.00 35.03 34.68 1r12 n LYS 123 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r12 s VAL 124 N -2.02 0.01 0.07 -0.18 0.11 -1.26 -4.43 120.40 112.70 1r12 s VAL 124 Ca -0.01 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1r12 s VAL 124 Cb 0.00 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1r12 s VAL 124 CO 0.02 -0.04 -0.14 0.00 -3.33 0.00 0.00 175.10 171.61 1r12 s PRO 126 N -1.66 3.62 0.24 0.00 0.04 -1.26 -0.96 135.00 135.02 1r12 s PRO 126 Ca -0.01 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 1r12 s PRO 126 Cb -0.10 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 1r12 s PRO 126 CO 0.02 -0.62 1.55 0.34 0.04 0.00 0.00 177.00 178.33 1r12 s ASP 127 N -1.74 6.51 0.00 6.66 -1.08 -1.26 -4.52 116.67 121.24 1r12 s ASP 127 Ca 0.68 2.77 0.26 0.00 -0.52 0.00 0.00 52.55 55.75 1r12 s ASP 127 Cb -0.22 -2.62 1.20 0.00 -1.46 0.00 0.00 42.92 39.82 1r12 s ASP 127 CO 0.26 -0.83 1.87 0.49 0.52 0.00 0.00 175.17 177.48 1r12 n PHE 128 N 2.82 0.00 0.17 -5.34 3.01 -1.26 -3.65 117.46 113.21 1r12 n PHE 128 Ca 0.10 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.69 1r12 n PHE 128 Cb 0.38 -0.42 0.69 0.00 -0.01 0.00 0.00 39.48 40.12 1r12 n PHE 128 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1r12 h LYS 129 N 0.00 0.00 0.00 -1.08 2.10 -2.00 0.74 116.57 116.33 1r12 h LYS 129 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1r12 h LYS 129 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1r12 h LYS 129 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1r12 h THR 130 N 0.00 0.00 -4.07 0.07 1.03 -1.97 -3.45 112.91 104.52 1r12 h THR 130 Ca 0.10 -0.37 -0.50 0.00 -0.01 0.00 0.00 66.41 65.62 1r12 h THR 130 Cb 0.40 1.26 0.05 0.00 -1.07 0.00 0.00 68.15 68.79 1r12 h THR 130 CO -0.00 0.00 0.30 0.00 -0.01 0.00 0.00 175.52 175.81 1r12 s PRO 132 N -4.87 2.57 0.33 0.00 0.04 -1.26 -4.72 135.00 127.09 1r12 s PRO 132 Ca 0.53 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1r12 s PRO 132 Cb -0.11 -1.93 0.71 0.00 0.04 0.00 0.00 34.50 33.22 1r12 s PRO 132 CO 0.48 -1.41 1.88 -0.24 0.04 0.00 0.00 177.00 177.75 1r12 h VAL 133 N -0.52 0.91 0.00 -0.36 3.04 -1.96 -0.29 116.25 117.08 1r12 h VAL 133 Ca -0.45 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1r12 h VAL 133 Cb 1.24 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1r12 h VAL 133 CO 0.53 0.15 0.00 0.06 -1.01 0.00 0.00 177.57 177.30 1r12 h GLN 134 N 0.81 0.00 0.09 4.17 -0.00 -1.91 -0.05 115.11 118.22 1r12 h GLN 134 Ca 0.43 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.73 1r12 h GLN 134 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.99 1r12 h GLN 134 CO -0.19 0.00 -1.95 0.00 -0.00 0.00 0.00 178.83 176.69 1r12 n ALA 135 N -2.05 1.03 -0.18 0.06 0.00 -0.30 -2.21 120.51 116.87 1r12 n ALA 135 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 1r12 n ALA 135 Cb 0.27 -0.71 0.15 0.00 0.00 0.00 0.00 19.45 19.16 1r12 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r12 h ARG 136 N 0.05 0.95 -0.65 0.00 3.08 -0.64 -2.52 114.38 114.65 1r12 h ARG 136 Ca -0.40 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1r12 h ARG 136 Cb 2.03 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.94 1r12 h ARG 136 CO 0.08 0.83 0.00 0.39 -1.07 0.00 0.00 179.97 180.20 1r12 n GLU 137 N -4.27 2.56 -0.12 0.04 1.02 -0.07 -4.66 120.64 115.15 1r12 n GLU 137 Ca 0.05 -2.42 -0.07 0.00 -0.02 0.00 0.00 57.16 54.69 1r12 n GLU 137 Cb 0.23 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1r12 n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r12 h SER 138 N 4.01 -1.01 0.34 1.62 0.87 -0.98 0.28 113.55 118.68 1r12 h SER 138 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1r12 h SER 138 Cb 0.91 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1r12 h SER 138 CO 0.00 -0.31 -0.16 0.15 -0.53 0.00 0.00 176.83 175.98 1r12 h PHE 139 N -0.23 -0.42 0.00 2.24 3.57 -1.83 -2.97 116.94 117.30 1r12 h PHE 139 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1r12 h PHE 139 Cb 0.52 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1r12 h PHE 139 CO -0.52 -0.26 -0.15 -1.49 -2.23 0.00 0.00 178.31 173.67 1r12 h TRP 140 N -1.05 0.00 -0.10 0.41 4.06 -1.88 0.17 115.95 117.56 1r12 h TRP 140 Ca -0.05 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1r12 h TRP 140 Cb 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1r12 h TRP 140 CO 0.01 0.15 -0.08 0.78 -3.56 0.00 0.00 178.44 175.73 1r12 h GLY 141 N 1.83 0.24 1.47 1.49 0.00 -0.59 -0.33 103.07 107.19 1r12 h GLY 141 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1r12 h GLY 141 CO 0.02 0.22 0.01 1.98 0.00 0.00 0.00 176.54 178.77 1r12 h MET 142 N -0.17 0.65 -0.34 4.80 1.85 -1.33 -0.60 114.93 119.78 1r12 h MET 142 Ca 0.02 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.95 1r12 h MET 142 Cb 0.58 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1r12 h MET 142 CO 0.02 0.66 0.18 0.00 -0.40 0.00 0.00 176.91 177.37 1r12 h ALA 143 N 1.40 0.44 -0.60 0.39 0.00 -0.83 -1.02 119.26 119.04 1r12 h ALA 143 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1r12 h ALA 143 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1r12 h ALA 143 CO 0.01 -0.02 0.29 0.77 0.00 0.00 0.00 179.25 180.30 1r12 h SER 144 N 0.43 0.79 -0.26 0.00 0.02 -0.80 -1.59 113.55 112.13 1r12 h SER 144 Ca 0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1r12 h SER 144 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1r12 h SER 144 CO -0.02 0.70 0.13 0.28 -1.14 0.00 0.00 176.83 176.78 1r12 h SER 145 N 0.82 0.35 -0.67 3.07 0.02 -0.79 -0.14 113.55 116.21 1r12 h SER 145 Ca 0.21 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1r12 h SER 145 Cb 0.12 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1r12 h SER 145 CO -0.03 0.37 0.15 -1.28 -1.14 0.00 0.00 176.83 174.90 1r12 h SER 146 N 0.29 1.03 0.12 3.07 0.87 -1.13 -0.70 113.55 117.10 1r12 h SER 146 Ca 0.09 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1r12 h SER 146 Cb 0.12 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1r12 h SER 146 CO -0.01 1.00 -0.06 0.22 -0.53 0.00 0.00 176.83 177.46 1r12 h TYR 147 N 1.01 -0.15 -0.68 2.24 3.20 -1.24 -2.61 116.97 118.73 1r12 h TYR 147 Ca 0.21 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1r12 h TYR 147 Cb 0.39 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1r12 h TYR 147 CO 0.03 0.13 0.41 0.00 -1.64 0.00 0.00 178.16 177.09 1r12 h ALA 148 N 0.42 1.44 0.00 1.82 0.00 -0.94 -1.71 119.26 120.29 1r12 h ALA 148 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r12 h ALA 148 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r12 h ALA 148 CO 0.03 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 180.98 1r12 h HIS 149 N 0.94 0.00 -0.01 0.00 -0.00 -0.95 -1.50 115.15 113.64 1r12 h HIS 149 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 1r12 h HIS 149 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1r12 h HIS 149 CO 0.00 0.03 -0.33 0.43 -0.00 0.00 0.00 177.93 178.07 1r12 n SER 150 N -3.25 1.17 -4.77 3.26 7.64 -0.65 -4.70 113.62 112.32 1r12 n SER 150 Ca -0.02 -0.96 -0.39 0.00 1.01 0.00 0.00 58.87 58.51 1r12 n SER 150 Cb 0.19 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1r12 n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r12 s ALA 151 N -2.54 3.18 0.02 -0.43 0.00 -0.56 -4.29 121.76 117.13 1r12 s ALA 151 Ca 0.22 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1r12 s ALA 151 Cb 0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1r12 s ALA 151 CO 0.55 -0.65 -0.03 -1.21 0.00 0.00 0.00 175.76 174.41 1r12 s GLU 152 N -2.29 0.29 2.56 0.00 2.02 -1.26 -4.37 118.70 115.65 1r12 s GLU 152 Ca 0.57 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1r12 s GLU 152 Cb -0.33 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 33.88 1r12 s GLU 152 CO 0.42 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1r12 n GLY 153 N 1.98 -0.00 3.80 -1.39 0.00 0.12 -1.10 105.19 108.59 1r12 n GLY 153 Ca -0.21 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1r12 n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r12 s GLU 154 N 0.00 4.39 0.17 1.61 2.02 -1.26 -1.06 118.70 124.58 1r12 s GLU 154 Ca 0.00 1.09 0.10 0.00 0.02 0.00 0.00 54.97 56.18 1r12 s GLU 154 Cb 0.00 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1r12 s GLU 154 CO 0.00 0.31 -0.23 0.14 0.02 0.00 0.00 175.26 175.50 1r12 s VAL 155 N -1.62 2.15 0.07 2.63 -7.23 -0.50 -3.78 120.40 112.12 1r12 s VAL 155 Ca 0.48 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.80 1r12 s VAL 155 Cb -0.17 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1r12 s VAL 155 CO 0.22 -0.14 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.74 1r12 s THR 156 N -1.66 1.95 -0.13 5.32 2.01 -0.70 -0.63 115.64 121.79 1r12 s THR 156 Ca 0.18 -1.41 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 1r12 s THR 156 Cb -0.08 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.78 1r12 s THR 156 CO 0.08 0.21 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.75 1r12 s TYR 157 N -0.89 1.04 -0.17 4.92 5.04 0.29 -0.19 117.35 127.40 1r12 s TYR 157 Ca 0.10 -0.60 -0.08 0.00 -2.44 0.00 0.00 57.07 54.06 1r12 s TYR 157 Cb -0.10 -1.01 -0.04 0.00 0.35 0.00 0.00 41.96 41.17 1r12 s TYR 157 CO 0.03 -0.48 0.09 1.41 -1.34 0.00 0.00 175.55 175.25 1r12 s MET 158 N 1.85 3.85 0.13 4.97 -2.45 -0.29 -0.96 119.30 126.40 1r12 s MET 158 Ca 0.02 -0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.24 1r12 s MET 158 Cb -0.14 -3.23 -0.04 0.00 1.25 0.00 0.00 34.83 32.67 1r12 s MET 158 CO -0.07 0.42 -0.11 0.14 1.05 0.00 0.00 175.02 176.45 1r12 s VAL 159 N -0.02 1.15 -0.29 10.11 -7.23 -0.14 -1.19 120.40 122.80 1r12 s VAL 159 Ca 0.08 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 1r12 s VAL 159 Cb -0.12 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1r12 s VAL 159 CO 0.00 -0.67 0.83 -0.62 -0.31 0.00 0.00 175.10 174.33 1r12 s ASP 160 N -2.94 6.74 -0.10 4.85 -1.08 -1.13 -0.53 116.67 122.47 1r12 s ASP 160 Ca 0.14 0.82 0.17 0.00 -0.52 0.00 0.00 52.55 53.15 1r12 s ASP 160 Cb 0.01 -2.43 0.63 0.00 -1.46 0.00 0.00 42.92 39.67 1r12 s ASP 160 CO 0.01 -0.61 1.54 0.61 0.52 0.00 0.00 175.17 177.24 1r12 n GLY 161 N 4.02 2.95 0.33 2.66 0.00 0.82 -4.13 105.19 111.85 1r12 n GLY 161 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.33 1r12 n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r12 n SER 162 N 0.79 1.59 -4.26 1.61 7.64 -1.25 -0.78 113.62 118.97 1r12 n SER 162 Ca 0.23 -2.86 -0.38 0.00 1.01 0.00 0.00 58.87 56.86 1r12 n SER 162 Cb 0.82 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 1r12 n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r12 s ASN 163 N -2.40 5.43 0.24 6.43 3.84 -1.26 -4.84 114.94 122.37 1r12 s ASN 163 Ca 0.25 -1.33 0.24 0.00 0.21 0.00 0.00 52.86 52.23 1r12 s ASN 163 Cb 0.23 -1.91 0.95 0.00 -0.55 0.00 0.00 41.25 39.97 1r12 s ASN 163 CO -0.00 -0.41 1.71 -0.81 -2.79 0.00 0.00 177.10 174.80 1r12 n PRO 164 N 4.83 0.20 0.03 0.43 -0.04 -1.26 -3.16 135.00 136.03 1r12 n PRO 164 Ca -0.11 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1r12 n PRO 164 Cb 0.44 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1r12 n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r12 n LYS 165 N -2.21 0.64 -3.89 0.54 5.02 -1.26 -4.85 118.16 112.14 1r12 n LYS 165 Ca 0.03 -0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1r12 n LYS 165 Cb 0.25 -1.64 -0.16 0.00 -0.02 0.00 0.00 35.03 33.46 1r12 n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r12 s VAL 166 N -3.40 1.39 0.67 -0.18 1.01 -1.19 -5.12 120.40 113.58 1r12 s VAL 166 Ca -0.05 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.47 1r12 s VAL 166 Cb 0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1r12 s VAL 166 CO 0.86 -0.25 1.04 -2.65 0.00 0.00 0.00 175.10 174.10 1r12 n PRO 167 N 4.70 0.75 -0.30 2.72 -0.02 -1.26 -4.61 135.00 136.98 1r12 n PRO 167 Ca -0.08 0.31 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1r12 n PRO 167 Cb 0.44 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1r12 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r12 h ALA 168 N 0.12 1.09 -3.48 3.55 0.00 -1.89 -3.39 119.26 115.26 1r12 h ALA 168 Ca -0.49 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.72 1r12 h ALA 168 Cb 1.34 -0.26 -0.33 0.00 0.00 0.00 0.00 17.79 18.55 1r12 h ALA 168 CO 0.49 0.32 -0.88 -0.47 0.00 0.00 0.00 179.25 178.72 1r12 s TYR 169 N -6.10 2.48 -0.03 0.00 5.04 -1.26 -4.74 117.35 112.75 1r12 s TYR 169 Ca -0.13 -0.96 0.02 0.00 -2.44 0.00 0.00 57.07 53.56 1r12 s TYR 169 Cb 0.17 -1.66 0.01 0.00 0.35 0.00 0.00 41.96 40.83 1r12 s TYR 169 CO 0.79 -0.37 -0.07 1.03 -1.34 0.00 0.00 175.55 175.58 1r12 s ARG 170 N 0.25 0.85 0.48 4.97 0.52 -1.26 -4.83 118.95 119.93 1r12 s ARG 170 Ca -0.16 -0.24 0.13 0.00 -0.52 0.00 0.00 55.73 54.94 1r12 s ARG 170 Cb -0.17 -0.81 1.11 0.00 0.52 0.00 0.00 34.95 35.60 1r12 s ARG 170 CO 0.08 0.07 2.11 -1.35 0.02 0.00 0.00 175.30 176.22 1r12 h PRO 171 N 6.52 0.18 -0.52 3.54 0.11 -1.99 -2.39 132.00 137.45 1r12 h PRO 171 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1r12 h PRO 171 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1r12 h PRO 171 CO 0.49 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1r12 n ASP 172 N -4.50 2.71 -4.40 -2.05 3.85 -1.26 -3.27 116.55 107.64 1r12 n ASP 172 Ca -0.01 -2.15 -0.27 0.00 -0.71 0.00 0.00 54.79 51.65 1r12 n ASP 172 Cb 0.09 -0.38 0.15 0.00 -1.35 0.00 0.00 41.12 39.63 1r12 n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1r12 s SER 173 N -0.85 3.70 0.28 -1.12 1.04 -0.90 -4.77 113.70 111.08 1r12 s SER 173 Ca 0.30 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.80 1r12 s SER 173 Cb 0.18 -0.28 0.41 0.00 0.10 0.00 0.00 66.02 66.43 1r12 s SER 173 CO 0.17 -2.33 1.77 -0.26 0.98 0.00 0.00 173.24 173.56 1r12 h PHE 174 N -1.17 0.68 -0.34 5.02 -1.00 -1.90 0.13 116.94 118.36 1r12 h PHE 174 Ca -0.42 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.23 1r12 h PHE 174 Cb 1.25 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 1r12 h PHE 174 CO -0.68 0.70 0.10 0.35 -1.61 0.00 0.00 178.31 177.18 1r12 h PHE 175 N 0.59 0.56 0.00 -0.55 3.57 -1.89 0.13 116.94 119.34 1r12 h PHE 175 Ca 0.11 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1r12 h PHE 175 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1r12 h PHE 175 CO 0.02 0.55 -0.45 0.78 -2.23 0.00 0.00 178.31 176.98 1r12 h GLY 176 N 0.40 0.00 0.43 2.40 0.00 -1.54 -0.30 103.07 104.46 1r12 h GLY 176 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.08 1r12 h GLY 176 CO -0.00 0.00 -2.13 0.28 0.00 0.00 0.00 176.54 174.68 1r12 n LYS 177 N -3.59 0.70 -0.03 4.80 5.02 0.39 -4.41 118.16 121.04 1r12 n LYS 177 Ca -0.00 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1r12 n LYS 177 Cb 0.55 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 1r12 n LYS 177 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1r12 n TYR 178 N -3.26 0.00 -0.07 2.13 4.01 0.40 -4.71 117.16 115.65 1r12 n TYR 178 Ca -0.34 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.34 1r12 n TYR 178 Cb 1.04 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 39.75 1r12 n TYR 178 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r12 n GLU 179 N -2.28 0.46 -0.21 -0.72 1.02 -0.80 -3.95 120.64 114.16 1r12 n GLU 179 Ca -0.10 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1r12 n GLU 179 Cb 0.69 -1.56 0.11 0.00 -0.02 0.00 0.00 31.44 30.67 1r12 n GLU 179 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r12 h LEU 180 N -0.96 0.31 -0.89 -4.62 5.85 -1.32 0.35 115.31 114.04 1r12 h LEU 180 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1r12 h LEU 180 Cb 0.65 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1r12 h LEU 180 CO 0.00 0.18 0.00 -2.65 -0.34 0.00 0.00 178.44 175.63 1r12 n PRO 181 N -4.94 0.14 -0.20 5.25 -0.02 -1.26 -2.41 135.00 131.55 1r12 n PRO 181 Ca 0.09 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1r12 n PRO 181 Cb 0.26 -1.84 0.20 0.00 -0.02 0.00 0.00 33.50 32.10 1r12 n PRO 181 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r12 n ASN 182 N -2.11 3.23 -4.72 2.55 3.02 0.09 -4.96 115.26 112.36 1r12 n ASN 182 Ca 0.00 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 1r12 n ASN 182 Cb 0.12 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1r12 n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r12 s LEU 183 N -1.18 4.41 0.00 3.41 1.43 -1.01 -3.72 118.68 122.02 1r12 s LEU 183 Ca 0.33 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1r12 s LEU 183 Cb 0.19 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.96 1r12 s LEU 183 CO 0.25 -0.36 0.98 0.35 0.23 0.00 0.00 176.35 177.80 1r12 n THR 184 N 3.44 0.00 1.31 5.49 -2.24 -1.26 -4.95 114.28 116.07 1r12 n THR 184 Ca 0.07 -1.56 0.05 0.00 -2.27 0.00 0.00 64.05 60.34 1r12 n THR 184 Cb 0.47 -0.89 0.31 0.00 -2.10 0.00 0.00 70.33 68.12 1r12 n THR 184 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1r12 n ASN 185 N -2.89 0.00 0.09 3.42 0.23 -1.26 -1.41 115.26 113.44 1r12 n ASN 185 Ca 0.16 -0.98 0.12 0.00 -0.53 0.00 0.00 54.58 53.36 1r12 n ASN 185 Cb 0.58 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.55 1r12 n ASN 185 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1r12 h LYS 186 N 0.00 0.00 -6.48 -3.83 1.79 -1.92 -3.44 116.57 102.68 1r12 h LYS 186 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1r12 h LYS 186 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1r12 h LYS 186 CO 0.00 0.00 0.17 0.08 -1.08 0.00 0.00 179.45 178.62 1r12 s VAL 187 N -3.14 4.42 -0.07 0.50 1.01 -0.50 -0.70 120.40 121.93 1r12 s VAL 187 Ca 0.08 1.67 0.11 0.00 0.00 0.00 0.00 61.98 63.84 1r12 s VAL 187 Cb 0.13 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 1r12 s VAL 187 CO 0.67 0.51 0.14 0.35 0.00 0.00 0.00 175.10 176.77 1r12 n THR 188 N 1.73 0.40 -3.55 3.92 -2.24 -0.22 -4.84 114.28 109.48 1r12 n THR 188 Ca -0.06 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 1r12 n THR 188 Cb 0.49 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1r12 n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1r12 s ARG 189 N -2.53 0.95 -0.21 -0.78 3.52 -1.25 -1.38 118.95 117.27 1r12 s ARG 189 Ca -0.05 0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1r12 s ARG 189 Cb 0.05 0.45 0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1r12 s ARG 189 CO 0.47 -0.27 -0.11 0.08 -0.81 0.00 0.00 175.30 174.66 1r12 s VAL 190 N -0.92 2.80 -0.28 7.11 1.01 -0.46 -1.42 120.40 128.25 1r12 s VAL 190 Ca -0.08 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1r12 s VAL 190 Cb -0.01 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1r12 s VAL 190 CO 0.07 0.46 0.10 -0.54 0.00 0.00 0.00 175.10 175.19 1r12 s LYS 191 N 1.39 3.43 -0.17 2.72 1.02 0.20 -2.11 119.74 126.22 1r12 s LYS 191 Ca 0.05 -0.64 -0.09 0.00 0.02 0.00 0.00 55.97 55.32 1r12 s LYS 191 Cb -0.14 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1r12 s LYS 191 CO -0.07 -0.32 0.13 0.08 -0.92 0.00 0.00 175.35 174.24 1r12 s VAL 192 N 1.59 5.37 -0.24 3.17 1.01 0.38 -0.54 120.40 131.14 1r12 s VAL 192 Ca 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1r12 s VAL 192 Cb -0.16 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1r12 s VAL 192 CO 0.04 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.92 1r12 s ILE 193 N -0.12 2.66 -0.27 2.22 1.01 -0.14 -1.55 121.20 125.01 1r12 s ILE 193 Ca 0.10 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 1r12 s ILE 193 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1r12 s ILE 193 CO 0.00 0.25 0.40 -0.69 0.00 0.00 0.00 174.94 174.89 1r12 s VAL 194 N 1.30 5.16 -0.19 2.92 1.01 0.49 -0.96 120.40 130.12 1r12 s VAL 194 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 1r12 s VAL 194 Cb -0.16 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1r12 s VAL 194 CO -0.06 0.15 0.51 -0.22 0.00 0.00 0.00 175.10 175.47 1r12 s LEU 195 N 2.10 4.16 -0.40 3.92 0.20 0.31 -1.44 118.68 127.53 1r12 s LEU 195 Ca 0.16 0.68 -0.08 0.00 0.69 0.00 0.00 54.13 55.58 1r12 s LEU 195 Cb -0.16 -2.70 0.07 0.00 -0.43 0.00 0.00 46.19 42.98 1r12 s LEU 195 CO 0.10 -0.16 0.21 -1.00 -0.29 0.00 0.00 176.35 175.21 1r12 s HIS 196 N 1.53 3.34 0.37 5.38 3.76 -1.26 -0.13 115.29 128.29 1r12 s HIS 196 Ca 0.24 -1.57 -0.28 0.00 -0.15 0.00 0.00 55.06 53.30 1r12 s HIS 196 Cb -0.15 -2.79 -0.11 0.00 1.11 0.00 0.00 32.58 30.64 1r12 s HIS 196 CO 0.10 -0.82 1.46 1.03 -0.85 0.00 0.00 174.74 175.65 1r12 s ARG 197 N 1.40 4.13 0.35 1.40 0.52 -1.26 -4.89 118.95 120.59 1r12 s ARG 197 Ca 0.02 2.52 -0.28 0.00 -0.52 0.00 0.00 55.73 57.47 1r12 s ARG 197 Cb -0.22 -2.97 -0.11 0.00 0.52 0.00 0.00 34.95 32.17 1r12 s ARG 197 CO 0.02 -0.49 1.42 -0.51 0.02 0.00 0.00 175.30 175.75 1r12 s LEU 198 N -2.07 4.36 0.00 2.53 1.43 -1.26 -2.06 118.68 121.62 1r12 s LEU 198 Ca 0.52 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.52 1r12 s LEU 198 Cb -0.45 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1r12 s LEU 198 CO 0.62 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1r12 n GLY 199 N 0.72 0.79 3.77 -3.19 0.00 -1.26 -5.01 105.19 101.01 1r12 n GLY 199 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1r12 n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r12 s GLU 200 N -0.19 2.81 0.25 1.61 2.02 -0.87 -5.07 118.70 119.25 1r12 s GLU 200 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 1r12 s GLU 200 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 1r12 s GLU 200 CO 0.00 0.48 1.45 0.21 0.02 0.00 0.00 175.26 177.42 1r12 s LYS 201 N -3.05 4.26 0.09 1.61 2.20 -1.26 -4.85 119.74 118.75 1r12 s LYS 201 Ca 0.30 2.32 -0.31 0.00 -0.36 0.00 0.00 55.97 57.92 1r12 s LYS 201 Cb -0.10 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.05 1r12 s LYS 201 CO 0.22 -0.43 1.29 0.42 -0.36 0.00 0.00 175.35 176.49 1r12 s ILE 202 N -0.02 3.66 -0.10 5.43 1.01 -1.26 -4.66 121.20 125.25 1r12 s ILE 202 Ca 0.59 1.21 -0.06 0.00 0.00 0.00 0.00 60.65 62.39 1r12 s ILE 202 Cb -0.42 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1r12 s ILE 202 CO 0.44 0.10 -0.16 -0.38 0.00 0.00 0.00 174.94 174.94 1r12 n ILE 203 N 3.84 0.81 -4.43 2.92 2.08 -0.59 -5.02 119.36 118.96 1r12 n ILE 203 Ca 0.10 -0.07 -0.32 0.00 0.56 0.00 0.00 62.75 63.02 1r12 n ILE 203 Cb 0.44 -1.72 -0.10 0.00 -0.75 0.00 0.00 39.64 37.51 1r12 n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r12 s GLU 204 N -2.26 2.50 0.04 0.38 0.41 0.04 -5.02 118.70 114.80 1r12 s GLU 204 Ca -0.16 -0.77 0.03 0.00 -0.41 0.00 0.00 54.97 53.66 1r12 s GLU 204 Cb 0.06 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1r12 s GLU 204 CO 0.21 0.59 -0.09 0.15 -0.49 0.00 0.00 175.26 175.62 1r12 s LYS 205 N -1.54 0.62 0.54 1.61 1.02 -1.26 -4.83 119.74 115.90 1r12 s LYS 205 Ca 0.18 -0.71 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 1r12 s LYS 205 Cb -0.11 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1r12 s LYS 205 CO 0.09 0.11 1.37 0.00 -0.92 0.00 0.00 175.35 175.99 1r12 n GLY 207 N 0.74 0.61 3.10 0.00 0.00 -1.26 -4.98 105.19 103.39 1r12 n GLY 207 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1r12 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r12 s ALA 208 N -2.60 0.39 0.00 4.61 0.00 -1.02 -4.63 121.76 118.50 1r12 s ALA 208 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1r12 s ALA 208 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1r12 s ALA 208 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1r12 n GLY 209 N 0.21 2.65 0.26 0.00 0.00 -1.26 -2.00 105.19 105.05 1r12 n GLY 209 Ca -0.15 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1r12 n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r12 h SER 210 N 5.90 0.00 0.60 1.61 4.64 -1.92 -0.89 113.55 123.49 1r12 h SER 210 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1r12 h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1r12 h SER 210 CO 0.00 0.13 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.43 1r12 h LEU 211 N 0.00 0.00 -0.16 5.97 3.38 -1.68 -1.18 115.31 121.64 1r12 h LEU 211 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1r12 h LEU 211 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1r12 h LEU 211 CO 0.02 0.59 -0.85 0.25 0.09 0.00 0.00 178.44 178.53 1r12 h LEU 212 N 0.00 0.84 -0.70 1.67 5.85 -0.86 -0.74 115.31 121.36 1r12 h LEU 212 Ca -0.01 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1r12 h LEU 212 Cb 1.05 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1r12 h LEU 212 CO 0.08 1.38 0.40 0.44 -0.34 0.00 0.00 178.44 180.40 1r12 h ASP 213 N 0.44 0.61 -0.47 1.25 3.32 -1.06 -0.91 116.42 119.61 1r12 h ASP 213 Ca -0.07 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1r12 h ASP 213 Cb 1.48 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 1r12 h ASP 213 CO 0.17 0.40 0.14 0.25 -1.72 0.00 0.00 179.24 178.47 1r12 h LEU 214 N 0.74 0.69 -0.49 1.55 5.85 -1.15 -2.25 115.31 120.25 1r12 h LEU 214 Ca 0.31 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1r12 h LEU 214 Cb 0.17 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1r12 h LEU 214 CO -0.18 0.72 0.17 -0.08 -0.34 0.00 0.00 178.44 178.74 1r12 h GLU 215 N 0.63 0.34 -0.54 1.25 4.81 -0.62 0.54 114.58 120.99 1r12 h GLU 215 Ca 0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1r12 h GLU 215 Cb 0.29 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1r12 h GLU 215 CO -0.00 0.23 0.35 0.87 -0.73 0.00 0.00 179.01 179.72 1r12 h LYS 216 N 0.35 0.68 -0.35 1.92 1.57 -0.99 -1.48 116.57 118.27 1r12 h LYS 216 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1r12 h LYS 216 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1r12 h LYS 216 CO -0.24 0.45 0.19 -0.07 -0.57 0.00 0.00 179.45 179.21 1r12 h LEU 217 N 0.70 0.45 -0.21 2.94 3.38 -0.72 -0.41 115.31 121.43 1r12 h LEU 217 Ca 0.21 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1r12 h LEU 217 Cb -0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1r12 h LEU 217 CO -0.06 0.41 0.11 0.58 0.09 0.00 0.00 178.44 179.58 1r12 h VAL 218 N 0.44 1.01 -0.49 1.22 2.07 -0.72 -2.18 116.25 117.60 1r12 h VAL 218 Ca 0.12 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1r12 h VAL 218 Cb 0.07 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1r12 h VAL 218 CO -0.02 0.04 0.11 0.11 0.02 0.00 0.00 177.57 177.84 1r12 h LYS 219 N 0.24 0.74 0.00 1.57 1.57 -1.09 -1.38 116.57 118.22 1r12 h LYS 219 Ca 0.08 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1r12 h LYS 219 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1r12 h LYS 219 CO -0.05 0.68 -0.06 0.00 -0.57 0.00 0.00 179.45 179.44 1r12 h ALA 220 N 1.41 1.31 -0.53 3.86 0.00 -0.62 0.14 119.26 124.83 1r12 h ALA 220 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r12 h ALA 220 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r12 h ALA 220 CO -0.00 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1r12 n LYS 221 N -3.61 3.19 -2.34 0.00 4.76 -0.56 -4.93 118.16 114.67 1r12 n LYS 221 Ca -0.02 -2.30 -0.20 0.00 -2.87 0.00 0.00 58.31 52.92 1r12 n LYS 221 Cb 0.17 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.58 1r12 n LYS 221 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1r12 n HIS 222 N 0.87 -0.90 -3.99 2.13 8.25 0.51 -5.01 115.22 117.08 1r12 n HIS 222 Ca 0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.39 1r12 n HIS 222 Cb 0.74 -3.80 -0.04 0.00 1.12 0.00 0.00 29.99 28.00 1r12 n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r12 s PHE 223 N -2.98 3.36 0.75 4.41 0.08 -0.97 -4.99 117.98 117.64 1r12 s PHE 223 Ca 0.00 0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 1r12 s PHE 223 Cb 0.00 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1r12 s PHE 223 CO 0.00 0.53 1.09 0.00 -0.10 0.00 0.00 175.22 176.74 1r12 s ALA 224 N -1.65 2.51 -0.09 5.36 0.00 -0.48 -4.00 121.76 123.40 1r12 s ALA 224 Ca 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 1r12 s ALA 224 Cb -0.11 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1r12 s ALA 224 CO 0.26 -1.46 0.22 0.12 0.00 0.00 0.00 175.76 174.91 1r12 s PHE 225 N -3.18 -0.25 0.09 0.00 5.36 -1.26 -1.35 117.98 117.37 1r12 s PHE 225 Ca 0.59 0.62 -0.08 0.00 -0.96 0.00 0.00 56.93 57.10 1r12 s PHE 225 Cb -0.13 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1r12 s PHE 225 CO 0.54 -0.13 0.17 0.16 -1.46 0.00 0.00 175.22 174.50 1r12 s ASP 226 N 0.29 0.15 -0.14 6.13 1.47 -0.89 -4.98 116.67 118.69 1r12 s ASP 226 Ca -0.01 -0.68 -0.10 0.00 1.18 0.00 0.00 52.55 52.93 1r12 s ASP 226 Cb -0.03 0.33 0.04 0.00 -0.34 0.00 0.00 42.92 42.92 1r12 s ASP 226 CO -0.01 -0.72 0.36 0.00 0.68 0.00 0.00 175.17 175.48 1r12 s VAL 228 N 0.76 0.45 -0.18 0.00 -7.23 -0.59 -4.97 120.40 108.63 1r12 s VAL 228 Ca -0.05 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 1r12 s VAL 228 Cb -0.06 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1r12 s VAL 228 CO -0.05 -0.33 -0.00 -1.61 -0.31 0.00 0.00 175.10 172.79 1r12 s GLU 229 N -1.35 3.70 -1.27 4.82 2.02 -1.26 -0.38 118.70 124.97 1r12 s GLU 229 Ca -0.09 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1r12 s GLU 229 Cb -0.09 -3.04 0.04 0.00 0.10 0.00 0.00 34.13 31.14 1r12 s GLU 229 CO 0.00 0.14 0.57 0.09 0.02 0.00 0.00 175.26 176.09 1r12 n ASN 230 N 3.86 -3.29 -4.65 -0.19 4.13 -0.52 -4.89 115.26 109.71 1r12 n ASN 230 Ca -0.17 -1.31 -0.34 0.00 1.68 0.00 0.00 54.58 54.44 1r12 n ASN 230 Cb 0.52 -1.60 0.12 0.00 -1.54 0.00 0.00 39.78 37.28 1r12 n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r12 n PRO 231 N -5.03 0.18 -0.27 3.52 -0.04 -1.26 -4.44 135.00 127.66 1r12 n PRO 231 Ca -0.15 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1r12 n PRO 231 Cb 0.58 -2.33 0.22 0.00 -0.04 0.00 0.00 33.50 31.93 1r12 n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r12 h ARG 232 N -0.87 0.30 -0.33 0.54 3.08 -1.99 -0.44 114.38 114.66 1r12 h ARG 232 Ca -0.46 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 1r12 h ARG 232 Cb 1.30 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1r12 h ARG 232 CO 0.45 0.20 0.03 0.00 -1.07 0.00 0.00 179.97 179.57 1r12 h ALA 233 N 1.65 1.43 0.02 0.04 0.00 -2.00 -0.05 119.26 120.34 1r12 h ALA 233 Ca 0.46 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 1r12 h ALA 233 Cb 0.81 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1r12 h ALA 233 CO -0.52 0.41 -0.88 0.28 0.00 0.00 0.00 179.25 178.53 1r12 h VAL 234 N 0.49 1.35 -0.41 0.00 2.07 -1.52 -2.77 116.25 115.47 1r12 h VAL 234 Ca 0.11 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.46 1r12 h VAL 234 Cb 0.28 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1r12 h VAL 234 CO 0.01 0.67 0.15 0.25 0.02 0.00 0.00 177.57 178.66 1r12 h LEU 235 N 0.14 0.16 -1.04 2.57 5.85 -0.62 -1.57 115.31 120.80 1r12 h LEU 235 Ca -0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1r12 h LEU 235 Cb 1.57 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 1r12 h LEU 235 CO 0.17 0.13 0.49 -0.26 -0.34 0.00 0.00 178.44 178.63 1r12 h PHE 236 N 0.31 1.12 -0.73 1.25 0.04 -1.03 0.88 116.94 118.78 1r12 h PHE 236 Ca 0.19 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.97 1r12 h PHE 236 Cb 0.16 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 1r12 h PHE 236 CO -0.15 0.76 0.47 1.25 -0.60 0.00 0.00 178.31 180.04 1r12 h LEU 237 N 1.16 0.79 -0.51 1.54 5.85 -1.08 -0.98 115.31 122.08 1r12 h LEU 237 Ca 0.30 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1r12 h LEU 237 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1r12 h LEU 237 CO -0.05 0.55 0.08 -0.07 -0.34 0.00 0.00 178.44 178.61 1r12 h LEU 238 N 0.93 0.81 -1.74 2.25 3.38 -0.49 -2.77 115.31 117.68 1r12 h LEU 238 Ca 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1r12 h LEU 238 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1r12 h LEU 238 CO -0.10 0.86 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 1r12 h SER 240 N 0.11 0.00 0.08 0.00 4.64 -0.89 -0.54 113.55 116.95 1r12 h SER 240 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1r12 h SER 240 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1r12 h SER 240 CO 0.01 0.06 -0.27 0.47 -0.87 0.00 0.00 176.83 176.22 1r12 n ASP 241 N -3.74 1.71 -2.78 4.97 8.00 -0.74 -4.52 116.55 119.45 1r12 n ASP 241 Ca -0.02 -1.35 -0.09 0.00 0.71 0.00 0.00 54.79 54.04 1r12 n ASP 241 Cb 0.15 0.23 0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1r12 n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r12 n ASN 242 N -0.05 -2.48 0.29 -2.24 4.05 -0.68 -5.01 115.26 109.14 1r12 n ASN 242 Ca 0.12 -3.38 0.20 0.00 0.45 0.00 0.00 54.58 51.97 1r12 n ASN 242 Cb 0.43 1.66 1.00 0.00 1.23 0.00 0.00 39.78 44.10 1r12 n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1r12 h PRO 243 N 3.69 0.00 -0.03 1.20 0.13 -1.37 -2.51 132.00 133.11 1r12 h PRO 243 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1r12 h PRO 243 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1r12 h PRO 243 CO 0.28 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.14 1r12 n ASN 244 N -2.90 2.30 -4.75 1.44 3.02 -1.26 -4.77 115.26 108.34 1r12 n ASN 244 Ca -0.02 -1.77 -0.40 0.00 -0.03 0.00 0.00 54.58 52.36 1r12 n ASN 244 Cb 0.11 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1r12 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r12 n ALA 245 N 0.80 1.85 -0.30 5.41 0.00 -0.95 -4.89 120.51 122.43 1r12 n ALA 245 Ca 0.16 0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.96 1r12 n ALA 245 Cb 0.48 -2.36 0.25 0.00 0.00 0.00 0.00 19.45 17.83 1r12 n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r12 h ARG 246 N 2.28 0.52 0.00 0.00 2.43 -1.91 -0.43 114.38 117.27 1r12 h ARG 246 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1r12 h ARG 246 Cb 1.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1r12 h ARG 246 CO 0.61 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.81 1r12 n GLU 247 N -4.93 0.13 -0.31 0.20 4.71 -1.26 -2.84 120.64 116.34 1r12 n GLU 247 Ca 0.19 0.52 0.11 0.00 -0.01 0.00 0.00 57.16 57.97 1r12 n GLU 247 Cb 0.51 -1.84 0.28 0.00 -1.01 0.00 0.00 31.44 29.38 1r12 n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r12 s ARG 249 N -1.09 4.21 0.40 0.00 0.52 -1.13 -4.98 118.95 116.88 1r12 s ARG 249 Ca 0.44 2.35 0.05 0.00 -0.52 0.00 0.00 55.73 58.05 1r12 s ARG 249 Cb 0.23 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1r12 s ARG 249 CO 0.31 -0.64 0.57 -0.51 0.02 0.00 0.00 175.30 175.04 1r12 s LEU 250 N 1.63 3.74 0.00 2.53 1.43 -1.26 -5.16 118.68 121.59 1r12 s LEU 250 Ca 0.71 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1r12 s LEU 250 Cb -0.42 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1r12 s LEU 250 CO 0.32 -0.66 0.08 0.00 0.23 0.00 0.00 176.35 176.32