#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 5.02 0.56 9.51 1.01 -1.26 -1.24 120.40 134.00 1r12 s VAL 2 Ca 0.00 1.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.81 1r12 s VAL 2 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1r12 s VAL 2 CO 0.00 0.05 1.07 -2.16 0.00 0.00 0.00 175.10 174.06 1r12 s PRO 3 N 2.42 3.43 0.31 2.72 0.04 -1.26 -4.79 135.00 137.87 1r12 s PRO 3 Ca 0.24 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1r12 s PRO 3 Cb -0.16 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1r12 s PRO 3 CO 0.09 -0.74 1.57 0.99 0.04 0.00 0.00 177.00 178.94 1r12 s THR 4 N -2.16 2.06 0.49 1.26 2.01 -0.29 -4.96 115.64 114.05 1r12 s THR 4 Ca 0.67 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 1r12 s THR 4 Cb -0.18 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 1r12 s THR 4 CO 0.30 0.01 1.02 -0.13 -0.69 0.00 0.00 174.62 175.13 1r12 s ARG 5 N -0.90 3.83 -1.43 4.92 0.52 -1.26 -3.96 118.95 120.68 1r12 s ARG 5 Ca 0.61 1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 57.07 1r12 s ARG 5 Cb -0.47 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 32.90 1r12 s ARG 5 CO 0.52 -0.39 0.41 0.39 0.02 0.00 0.00 175.30 176.24 1r12 n GLU 6 N -1.09 -3.15 -0.20 3.54 1.02 -1.26 -4.81 120.64 114.69 1r12 n GLU 6 Ca 0.09 0.38 -0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1r12 n GLU 6 Cb 0.53 -4.50 0.08 0.00 -0.02 0.00 0.00 31.44 27.53 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 -1.82 -0.40 -0.31 -4.62 5.85 -1.98 -0.52 115.31 111.51 1r12 h LEU 7 Ca -0.63 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1r12 h LEU 7 Cb 1.38 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 1r12 h LEU 7 CO 0.64 -0.15 0.18 -0.08 -0.34 0.00 0.00 178.44 178.68 1r12 h GLU 8 N 0.06 0.43 -0.58 1.25 4.81 -1.95 0.14 114.58 118.74 1r12 h GLU 8 Ca 0.30 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1r12 h GLU 8 Cb 0.47 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1r12 h GLU 8 CO -0.56 0.35 0.24 -0.91 -0.73 0.00 0.00 179.01 177.40 1r12 h ASN 9 N 0.40 0.75 -0.12 1.04 2.35 -1.70 0.44 115.58 118.74 1r12 h ASN 9 Ca 0.11 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1r12 h ASN 9 Cb 0.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1r12 h ASN 9 CO -0.02 0.67 -0.38 0.58 -1.65 0.00 0.00 177.43 176.63 1r12 h VAL 10 N 0.82 1.37 -0.04 2.81 2.07 -0.72 0.09 116.25 122.65 1r12 h VAL 10 Ca 0.20 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 66.04 1r12 h VAL 10 Cb 0.15 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1r12 h VAL 10 CO -0.02 0.50 -0.05 0.15 0.02 0.00 0.00 177.57 178.17 1r12 h PHE 11 N 0.06 -0.13 -0.28 1.57 3.04 -0.54 -0.59 116.94 120.06 1r12 h PHE 11 Ca -0.01 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1r12 h PHE 11 Cb 1.01 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1r12 h PHE 11 CO 0.11 -0.09 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.04 1r12 h LEU 12 N -0.08 0.51 -0.27 0.59 3.38 -0.90 0.26 115.31 118.81 1r12 h LEU 12 Ca 0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1r12 h LEU 12 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1r12 h LEU 12 CO -0.09 0.72 -0.06 1.23 0.09 0.00 0.00 178.44 180.33 1r12 h GLY 13 N 0.98 0.55 1.12 0.83 0.00 -0.70 -1.78 103.07 104.09 1r12 h GLY 13 Ca 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1r12 h GLY 13 CO 0.04 0.41 0.22 3.21 0.00 0.00 0.00 176.54 180.42 1r12 h ARG 14 N 0.26 1.10 -0.30 4.80 3.08 -0.95 -1.54 114.38 120.82 1r12 h ARG 14 Ca 0.07 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1r12 h ARG 14 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1r12 h ARG 14 CO 0.03 0.94 0.16 0.00 -1.07 0.00 0.00 179.97 180.02 1r12 h LYS 16 N 0.37 0.89 -0.32 0.00 1.63 -1.15 0.33 116.57 118.33 1r12 h LYS 16 Ca 0.11 -0.47 0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1r12 h LYS 16 Cb 0.07 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1r12 h LYS 16 CO -0.02 1.12 0.19 0.22 -3.45 0.00 0.00 179.45 177.52 1r12 h ASP 17 N 0.73 0.32 0.17 4.20 3.58 -1.18 -1.93 116.42 122.32 1r12 h ASP 17 Ca 0.06 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1r12 h ASP 17 Cb 0.97 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1r12 h ASP 17 CO 0.09 0.24 -0.08 0.22 -2.88 0.00 0.00 179.24 176.83 1r12 h TYR 18 N 0.40 -0.21 -0.47 0.28 5.03 -0.74 -0.72 116.97 120.54 1r12 h TYR 18 Ca 0.12 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.51 1r12 h TYR 18 Cb -0.02 0.07 -0.10 0.00 1.55 0.00 0.00 36.73 38.24 1r12 h TYR 18 CO -0.07 -0.01 -0.39 1.49 -1.32 0.00 0.00 178.16 177.86 1r12 h GLU 19 N -0.38 -0.25 0.00 1.82 4.81 -0.73 -1.65 114.58 118.20 1r12 h GLU 19 Ca -0.02 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1r12 h GLU 19 Cb 0.30 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1r12 h GLU 19 CO 0.04 -0.17 -1.08 0.82 -0.73 0.00 0.00 179.01 177.89 1r12 h ILE 20 N -0.26 1.01 0.00 2.32 1.08 -1.31 -3.43 117.51 116.92 1r12 h ILE 20 Ca 0.17 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 1r12 h ILE 20 Cb 0.57 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1r12 h ILE 20 CO -0.61 0.58 0.00 0.35 -0.69 0.00 0.00 178.15 177.78 1r12 n THR 21 N -3.15 0.00 -4.62 -0.27 -2.24 -0.28 -5.02 114.28 98.70 1r12 n THR 21 Ca -0.05 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1r12 n THR 21 Cb 0.87 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.42 2.68 -1.28 -0.78 1.81 -0.64 -4.63 118.95 115.70 1r12 s ARG 22 Ca 0.00 -0.60 -0.04 0.00 -1.72 0.00 0.00 55.73 53.37 1r12 s ARG 22 Cb 0.00 -2.55 0.03 0.00 -0.45 0.00 0.00 34.95 31.98 1r12 s ARG 22 CO 0.00 0.65 0.28 0.66 -0.68 0.00 0.00 175.30 176.21 1r12 n TYR 23 N 2.10 -1.62 0.24 -0.53 4.02 -1.26 -4.81 117.16 115.30 1r12 n TYR 23 Ca -0.17 0.26 0.07 0.00 -0.01 0.00 0.00 57.90 58.05 1r12 n TYR 23 Cb 0.53 -3.24 0.61 0.00 -0.02 0.00 0.00 39.34 37.21 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 -0.60 0.02 -2.50 7.72 3.38 -1.82 -1.15 115.31 120.37 1r12 h LEU 24 Ca -0.40 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1r12 h LEU 24 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1r12 h LEU 24 CO 0.47 0.04 0.00 -0.90 0.09 0.00 0.00 178.44 178.14 1r12 n ASP 25 N -4.51 3.61 0.00 -0.43 5.75 -1.26 -4.58 116.55 115.13 1r12 n ASP 25 Ca -0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1r12 n ASP 25 Cb 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1r12 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1r12 n ILE 26 N 1.51 0.00 -5.12 2.12 5.41 -0.76 -5.08 119.36 117.44 1r12 n ILE 26 Ca 0.21 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.66 1r12 n ILE 26 Cb 0.60 -0.91 -0.15 0.00 -0.71 0.00 0.00 39.64 38.47 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 -5.37 2.09 0.78 1.39 1.43 -0.51 -4.61 118.68 113.89 1r12 s LEU 27 Ca 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1r12 s LEU 27 Cb 0.00 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 45.00 1r12 s LEU 27 CO 0.00 0.29 1.08 -2.16 0.23 0.00 0.00 176.35 175.79 1r12 s PRO 28 N -0.84 2.20 0.43 1.29 0.04 -1.26 -4.60 135.00 132.26 1r12 s PRO 28 Ca 0.10 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1r12 s PRO 28 Cb -0.10 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1r12 s PRO 28 CO 0.00 -1.60 0.81 1.03 0.04 0.00 0.00 177.00 177.28 1r12 s ARG 29 N -5.02 3.80 0.42 4.56 1.81 -1.26 -4.90 118.95 118.37 1r12 s ARG 29 Ca 0.61 0.56 0.01 0.00 -1.72 0.00 0.00 55.73 55.18 1r12 s ARG 29 Cb -0.16 -2.34 -0.01 0.00 -0.45 0.00 0.00 34.95 31.99 1r12 s ARG 29 CO 0.55 -0.09 0.63 0.14 -0.68 0.00 0.00 175.30 175.86 1r12 s VAL 30 N -2.44 4.26 0.16 3.52 -7.23 -1.26 -5.01 120.40 112.40 1r12 s VAL 30 Ca 0.53 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 60.09 1r12 s VAL 30 Cb -0.10 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.28 1r12 s VAL 30 CO 0.32 -0.38 1.56 0.03 -0.31 0.00 0.00 175.10 176.31 1r12 h ARG 31 N 0.50 1.00 -6.94 4.82 3.08 -1.95 -3.46 114.38 111.44 1r12 h ARG 31 Ca -0.47 -0.41 -0.50 0.00 0.07 0.00 0.00 59.98 58.67 1r12 h ARG 31 Cb 1.24 -0.04 0.04 0.00 0.08 0.00 0.00 29.97 31.29 1r12 h ARG 31 CO 0.58 1.09 0.47 -1.12 -1.07 0.00 0.00 179.97 179.91 1r12 s SER 32 N -6.68 6.66 0.69 7.04 0.01 -1.26 -5.04 113.70 115.12 1r12 s SER 32 Ca -0.12 2.22 -0.10 0.00 1.31 0.00 0.00 55.95 59.27 1r12 s SER 32 Cb 0.12 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1r12 s SER 32 CO 0.87 -0.57 1.06 1.51 0.41 0.00 0.00 173.24 176.51 1r12 s ASP 33 N -1.28 5.42 0.35 2.44 1.47 -1.26 -4.87 116.67 118.95 1r12 s ASP 33 Ca 0.56 1.01 0.04 0.00 1.18 0.00 0.00 52.55 55.35 1r12 s ASP 33 Cb -0.28 -1.83 0.69 0.00 -0.34 0.00 0.00 42.92 41.16 1r12 s ASP 33 CO 0.35 -1.31 1.97 0.00 0.68 0.00 0.00 175.17 176.86 1r12 h SER 35 N 0.82 0.52 -0.57 0.00 4.64 -1.98 -1.05 113.55 115.93 1r12 h SER 35 Ca 0.30 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 1r12 h SER 35 Cb 0.14 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1r12 h SER 35 CO -0.09 0.79 -0.04 0.00 -0.87 0.00 0.00 176.83 176.62 1r12 h ALA 36 N 1.25 0.78 -0.69 5.18 0.00 -1.76 -1.91 119.26 122.10 1r12 h ALA 36 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1r12 h ALA 36 Cb 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1r12 h ALA 36 CO 0.06 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 180.03 1r12 h LEU 37 N 0.93 1.06 -0.63 0.00 3.38 -1.08 -1.90 115.31 117.07 1r12 h LEU 37 Ca 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1r12 h LEU 37 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1r12 h LEU 37 CO 0.04 1.03 0.32 -0.25 0.09 0.00 0.00 178.44 179.66 1r12 h TRP 38 N 1.06 0.89 -0.79 1.13 2.91 -0.89 -0.66 115.95 119.59 1r12 h TRP 38 Ca 0.22 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1r12 h TRP 38 Cb 0.39 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 1r12 h TRP 38 CO 0.03 0.66 0.51 -0.22 -1.03 0.00 0.00 178.44 178.39 1r12 h LYS 39 N 0.86 0.98 -0.36 2.65 3.64 -1.04 0.15 116.57 123.45 1r12 h LYS 39 Ca 0.22 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1r12 h LYS 39 Cb 0.09 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1r12 h LYS 39 CO -0.03 0.65 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.19 1r12 h ASP 40 N 1.01 0.76 -0.03 4.20 3.32 -1.01 -2.14 116.42 122.53 1r12 h ASP 40 Ca 0.31 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1r12 h ASP 40 Cb -0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1r12 h ASP 40 CO -0.10 1.00 0.02 0.15 -1.72 0.00 0.00 179.24 178.59 1r12 h PHE 41 N 0.53 0.04 -0.46 4.55 3.57 -0.80 -3.19 116.94 121.17 1r12 h PHE 41 Ca 0.08 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1r12 h PHE 41 Cb 0.71 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1r12 h PHE 41 CO 0.06 0.10 -0.02 0.35 -2.23 0.00 0.00 178.31 176.56 1r12 h PHE 42 N -0.03 0.81 0.00 0.41 3.57 -0.68 -2.27 116.94 118.75 1r12 h PHE 42 Ca 0.01 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1r12 h PHE 42 Cb 0.07 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1r12 h PHE 42 CO -0.05 0.77 0.00 0.36 -2.23 0.00 0.00 178.31 177.16 1r12 n LYS 43 N -4.21 0.21 0.10 1.11 2.85 -0.81 -1.13 118.16 116.29 1r12 n LYS 43 Ca 0.02 0.38 -0.02 0.00 -1.05 0.00 0.00 58.31 57.64 1r12 n LYS 43 Cb 0.31 -1.86 0.22 0.00 -0.65 0.00 0.00 35.03 33.05 1r12 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r12 h ALA 44 N 2.32 1.10 0.00 0.58 0.00 -1.40 -3.36 119.26 118.51 1r12 h ALA 44 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r12 h ALA 44 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r12 h ALA 44 CO 0.00 0.60 -0.03 1.97 0.00 0.00 0.00 179.25 181.79 1r12 n PHE 45 N -4.01 0.00 -2.30 0.00 -1.74 -1.08 -4.77 117.46 103.57 1r12 n PHE 45 Ca -0.02 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.53 1r12 n PHE 45 Cb 0.49 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.48 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 -0.81 5.90 -1.69 5.98 1.04 -0.28 -3.64 113.70 120.20 1r12 s SER 46 Ca 0.00 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1r12 s SER 46 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1r12 s SER 46 CO 0.00 -1.09 0.00 0.49 0.98 0.00 0.00 173.24 173.62 1r12 n PHE 47 N -1.35 -0.93 -4.26 5.02 3.72 0.23 -4.92 117.46 114.97 1r12 n PHE 47 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 1r12 n PHE 47 Cb 0.52 -3.62 -0.10 0.00 -0.94 0.00 0.00 39.48 35.33 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 -4.80 1.12 0.50 -1.08 1.02 -1.17 -4.53 119.74 110.80 1r12 s LYS 48 Ca 0.00 -1.51 -0.23 0.00 0.02 0.00 0.00 55.97 54.25 1r12 s LYS 48 Cb 0.00 -0.51 -0.06 0.00 -0.52 0.00 0.00 37.83 36.74 1r12 s LYS 48 CO 0.00 -0.02 1.29 -0.80 -0.92 0.00 0.00 175.35 174.91 1r12 s ASN 49 N -3.19 5.71 0.59 2.83 0.01 -1.26 -0.83 114.94 118.79 1r12 s ASN 49 Ca 0.21 2.61 0.29 0.00 -0.71 0.00 0.00 52.86 55.26 1r12 s ASN 49 Cb 0.04 -2.63 1.45 0.00 0.41 0.00 0.00 41.25 40.52 1r12 s ASN 49 CO 0.03 -1.26 1.86 1.55 -1.51 0.00 0.00 177.10 177.77 1r12 h PRO 50 N 1.84 0.00 -0.52 -0.60 0.13 -1.90 -1.39 132.00 129.56 1r12 h PRO 50 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r12 h PRO 50 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r12 h PRO 50 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1r12 n ASP 52 N 1.41 6.56 -4.10 0.00 2.03 -0.53 -4.75 116.55 117.17 1r12 n ASP 52 Ca 0.20 -3.02 -0.09 0.00 0.52 0.00 0.00 54.79 52.41 1r12 n ASP 52 Cb 0.58 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 1r12 n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1r12 s LEU 53 N -0.57 2.46 0.00 -2.67 1.43 -1.26 -4.87 118.68 113.19 1r12 s LEU 53 Ca 0.50 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1r12 s LEU 53 Cb 0.15 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.45 1r12 s LEU 53 CO -0.05 -0.50 0.38 -0.90 0.23 0.00 0.00 176.35 175.51 1r12 n ASP 54 N 0.30 -1.07 0.32 2.29 3.85 -1.25 -3.43 116.55 117.55 1r12 n ASP 54 Ca -0.15 -2.26 0.20 0.00 -0.71 0.00 0.00 54.79 51.87 1r12 n ASP 54 Cb 0.60 1.94 1.05 0.00 -1.35 0.00 0.00 41.12 43.36 1r12 n ASP 54 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1r12 h LEU 55 N 0.00 0.00 -0.59 -2.12 5.85 -1.86 -2.06 115.31 114.53 1r12 h LEU 55 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1r12 h LEU 55 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1r12 h LEU 55 CO 0.26 0.01 -0.24 0.61 -0.34 0.00 0.00 178.44 178.75 1r12 n GLY 56 N -0.89 -0.49 0.24 3.75 0.00 -1.26 -4.47 105.19 102.06 1r12 n GLY 56 Ca -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 1.43 0.35 -0.53 1.61 0.02 -1.71 -1.48 113.55 113.24 1r12 h SER 57 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1r12 h SER 57 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1r12 h SER 57 CO 0.00 0.21 0.01 -1.22 -1.14 0.00 0.00 176.83 174.70 1r12 n TYR 58 N -4.92 1.93 -0.16 3.45 4.01 -1.26 -4.47 117.16 115.74 1r12 n TYR 58 Ca 0.08 -0.69 -0.03 0.00 -0.16 0.00 0.00 57.90 57.11 1r12 n TYR 58 Cb 0.24 -0.49 0.03 0.00 -0.31 0.00 0.00 39.34 38.81 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 3.58 -0.02 -0.56 -0.72 3.64 -1.52 -1.70 116.57 119.28 1r12 h LYS 59 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1r12 h LYS 59 Cb 1.88 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.68 1r12 h LYS 59 CO 0.47 -0.01 0.27 -0.44 -2.27 0.00 0.00 179.45 177.46 1r12 h ASP 60 N -0.02 0.73 -0.08 4.20 3.32 -1.83 -1.92 116.42 120.82 1r12 h ASP 60 Ca 0.24 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1r12 h ASP 60 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1r12 h ASP 60 CO -0.52 0.65 0.00 0.15 -1.72 0.00 0.00 179.24 177.80 1r12 h PHE 61 N 0.75 -0.00 -0.24 4.55 3.57 -1.64 -1.01 116.94 122.91 1r12 h PHE 61 Ca 0.19 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1r12 h PHE 61 Cb 0.12 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1r12 h PHE 61 CO -0.00 -0.01 -0.22 0.74 -2.23 0.00 0.00 178.31 176.59 1r12 h PHE 62 N 0.03 0.48 -0.29 0.41 0.04 -1.16 0.37 116.94 116.82 1r12 h PHE 62 Ca 0.04 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1r12 h PHE 62 Cb 0.04 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1r12 h PHE 62 CO -0.12 0.63 0.16 1.15 -0.60 0.00 0.00 178.31 179.53 1r12 h THR 63 N 0.40 1.12 -0.61 -1.55 2.02 -1.15 -1.76 112.91 111.38 1r12 h THR 63 Ca 0.06 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1r12 h THR 63 Cb 0.60 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1r12 h THR 63 CO 0.04 0.12 0.10 -1.28 0.37 0.00 0.00 175.52 174.88 1r12 h SER 64 N 0.35 0.94 0.15 4.18 0.87 -0.87 -3.18 113.55 115.99 1r12 h SER 64 Ca 0.10 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1r12 h SER 64 Cb 0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1r12 h SER 64 CO -0.02 0.94 -0.09 0.00 -0.53 0.00 0.00 176.83 177.13 1r12 n ALA 65 N -2.47 2.76 -2.49 6.23 0.00 0.09 -4.65 120.51 119.99 1r12 n ALA 65 Ca 0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1r12 n ALA 65 Cb 0.28 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.25 4.50 0.14 0.00 2.00 -0.68 -4.60 119.66 118.78 1r12 s GLN 66 Ca 0.34 1.63 0.04 0.00 -2.00 0.00 0.00 55.36 55.37 1r12 s GLN 66 Cb 0.20 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 30.60 1r12 s GLN 66 CO 0.42 -0.14 0.15 -0.65 -0.50 0.00 0.00 175.29 174.57 1r12 s GLN 67 N 0.89 2.99 0.27 1.67 -0.21 -1.26 -4.96 119.66 119.07 1r12 s GLN 67 Ca 0.55 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 1r12 s GLN 67 Cb -0.26 -2.72 -0.09 0.00 1.00 0.00 0.00 33.01 30.93 1r12 s GLN 67 CO 0.29 0.51 1.09 -0.65 -2.12 0.00 0.00 175.29 174.41 1r12 s GLN 68 N -2.98 4.66 0.01 2.91 -0.21 -1.26 -4.97 119.66 117.82 1r12 s GLN 68 Ca 0.31 1.78 0.01 0.00 0.02 0.00 0.00 55.36 57.48 1r12 s GLN 68 Cb -0.11 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1r12 s GLN 68 CO 0.24 0.24 0.03 -0.51 -2.12 0.00 0.00 175.29 173.17 1r12 s LEU 69 N -1.41 3.63 0.12 2.90 1.43 -1.26 -4.46 118.68 119.63 1r12 s LEU 69 Ca 0.44 0.02 -0.32 0.00 -1.03 0.00 0.00 54.13 53.24 1r12 s LEU 69 Cb -0.31 -2.12 -0.12 0.00 0.03 0.00 0.00 46.19 43.67 1r12 s LEU 69 CO 0.40 0.27 1.76 -0.81 0.23 0.00 0.00 176.35 178.19 1r12 n PRO 70 N 1.23 2.54 -1.79 1.29 -0.04 -1.26 -4.74 135.00 132.23 1r12 n PRO 70 Ca -0.14 0.92 -0.41 0.00 -0.04 0.00 0.00 63.50 63.84 1r12 n PRO 70 Cb 0.53 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1r12 n PRO 70 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1r12 s LYS 71 N 2.18 4.06 0.00 0.54 2.20 -1.26 -2.40 119.74 125.06 1r12 s LYS 71 Ca 0.81 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.99 1r12 s LYS 71 Cb -0.57 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1r12 s LYS 71 CO 0.39 -0.57 0.00 0.09 -0.36 0.00 0.00 175.35 174.89 1r12 n ASN 72 N 0.39 -2.46 -0.21 1.43 3.02 -0.25 -4.84 115.26 112.32 1r12 n ASN 72 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.59 1r12 n ASN 72 Cb 0.39 -1.85 0.03 0.00 -0.61 0.00 0.00 39.78 37.75 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 -1.32 0.61 -2.62 3.52 5.02 -1.01 -4.71 118.16 117.66 1r12 n LYS 73 Ca 0.00 -1.06 -0.41 0.00 -2.02 0.00 0.00 58.31 54.82 1r12 n LYS 73 Cb 0.15 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 1r12 n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r12 s VAL 74 N -0.57 4.28 0.04 -0.18 1.01 -1.26 -0.79 120.40 122.94 1r12 s VAL 74 Ca 0.07 1.84 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1r12 s VAL 74 Cb 0.04 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1r12 s VAL 74 CO 0.06 0.26 -0.23 -0.32 0.00 0.00 0.00 175.10 174.87 1r12 s MET 75 N 0.14 1.59 0.20 2.72 0.00 -0.24 -1.47 119.30 122.25 1r12 s MET 75 Ca 0.50 -1.02 0.11 0.00 0.00 0.00 0.00 55.69 55.28 1r12 s MET 75 Cb -0.26 -1.73 -0.04 0.00 0.00 0.00 0.00 34.83 32.80 1r12 s MET 75 CO 0.31 0.45 -0.20 -0.06 0.00 0.00 0.00 175.02 175.52 1r12 s PHE 76 N -0.80 2.38 -0.02 4.11 0.08 0.42 -4.39 117.98 119.77 1r12 s PHE 76 Ca 0.10 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.68 1r12 s PHE 76 Cb -0.09 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 1r12 s PHE 76 CO 0.02 0.53 0.30 1.67 -0.10 0.00 0.00 175.22 177.64 1r12 s TRP 77 N -1.80 -0.17 -0.06 0.36 1.48 -1.26 -1.17 118.94 116.32 1r12 s TRP 77 Ca 0.23 0.26 -0.01 0.00 -1.06 0.00 0.00 56.10 55.52 1r12 s TRP 77 Cb -0.08 0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.35 1r12 s TRP 77 CO 0.12 -0.38 0.01 -1.12 -4.06 0.00 0.00 176.95 171.53 1r12 s SER 78 N -1.28 1.30 -0.71 -2.66 0.01 -0.43 -4.88 113.70 105.06 1r12 s SER 78 Ca -0.13 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1r12 s SER 78 Cb -0.05 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1r12 s SER 78 CO 0.04 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1r12 n GLY 79 N 5.01 0.82 2.70 3.44 0.00 -1.26 -3.17 105.19 112.74 1r12 n GLY 79 Ca -0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.55 1.03 -0.09 1.61 0.24 -1.26 -4.75 118.33 112.56 1r12 n VAL 80 Ca -0.07 -2.97 -0.14 0.00 -2.04 0.00 0.00 64.34 59.12 1r12 n VAL 80 Cb 0.35 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 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 2.87 -1.62 -0.38 6.34 5.03 -1.95 0.13 116.97 127.39 1r12 h TYR 81 Ca -0.12 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 1r12 h TYR 81 Cb 1.20 0.75 -0.02 0.00 1.55 0.00 0.00 36.73 40.21 1r12 h TYR 81 CO 0.49 -0.51 0.22 -0.44 -1.32 0.00 0.00 178.16 176.61 1r12 h ASP 82 N -0.46 0.47 -0.53 -2.11 3.32 -1.99 -1.29 116.42 113.83 1r12 h ASP 82 Ca 0.07 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1r12 h ASP 82 Cb 0.63 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1r12 h ASP 82 CO -0.54 0.40 0.25 -0.33 -1.72 0.00 0.00 179.24 177.30 1r12 h GLU 83 N 0.50 0.76 -0.51 3.56 3.07 -1.91 0.75 114.58 120.79 1r12 h GLU 83 Ca 0.14 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1r12 h GLU 83 Cb 0.02 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1r12 h GLU 83 CO -0.02 0.63 0.05 0.00 -1.40 0.00 0.00 179.01 178.26 1r12 h ALA 84 N 1.09 0.68 -0.03 3.43 0.00 -0.84 -1.41 119.26 122.19 1r12 h ALA 84 Ca 0.18 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1r12 h ALA 84 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1r12 h ALA 84 CO -0.02 0.45 -0.71 0.45 0.00 0.00 0.00 179.25 179.41 1r12 h HIS 85 N 0.74 0.21 -0.49 0.00 3.86 -1.16 0.16 115.15 118.47 1r12 h HIS 85 Ca 0.15 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1r12 h HIS 85 Cb 0.45 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1r12 h HIS 85 CO 0.03 0.81 -0.10 -0.44 0.86 0.00 0.00 177.93 179.10 1r12 h ASP 86 N 0.10 0.89 -0.24 2.45 3.32 -0.73 -1.52 116.42 120.70 1r12 h ASP 86 Ca -0.02 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.60 1r12 h ASP 86 Cb 1.27 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1r12 h ASP 86 CO 0.10 1.01 -0.45 0.22 -1.72 0.00 0.00 179.24 178.40 1r12 h TYR 87 N 0.81 0.92 -0.30 4.55 3.20 -1.06 -3.17 116.97 121.92 1r12 h TYR 87 Ca 0.13 -0.33 -0.06 0.00 3.14 0.00 0.00 58.73 61.62 1r12 h TYR 87 Cb 0.62 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1r12 h TYR 87 CO 0.04 1.12 -0.06 0.00 -1.64 0.00 0.00 178.16 177.61 1r12 h ALA 88 N 0.64 1.34 -5.65 1.82 0.00 -0.88 -3.43 119.26 113.09 1r12 h ALA 88 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1r12 h ALA 88 Cb 1.06 -0.14 0.09 0.00 0.00 0.00 0.00 17.79 18.80 1r12 h ALA 88 CO 0.10 0.45 -0.55 -1.71 0.00 0.00 0.00 179.25 177.54 1r12 n ASN 89 N -4.25 -6.76 -4.01 0.00 4.05 -0.58 -1.36 115.26 102.35 1r12 n ASN 89 Ca 0.01 -0.53 -0.29 0.00 0.45 0.00 0.00 54.58 54.23 1r12 n ASN 89 Cb 0.28 -4.68 -0.02 0.00 1.23 0.00 0.00 39.78 36.59 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 -2.76 -2.48 -0.64 -0.44 -1.04 -1.26 -1.49 114.28 104.17 1r12 n THR 90 Ca -0.07 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1r12 n THR 90 Cb 0.57 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 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 -1.79 1.60 0.15 3.41 0.00 -1.04 -4.93 105.19 102.59 1r12 n GLY 91 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1r12 n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r12 h ARG 92 N 2.76 0.41 0.00 1.61 0.11 -1.25 -3.39 114.38 114.64 1r12 h ARG 92 Ca 0.00 -0.24 -0.43 0.00 0.10 0.00 0.00 59.98 59.41 1r12 h ARG 92 Cb 0.00 0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.03 1r12 h ARG 92 CO 0.00 0.82 -2.48 1.17 0.10 0.00 0.00 179.97 179.57 1r12 n LYS 93 N -4.48 0.62 -4.07 0.08 4.81 -0.47 -5.03 118.16 109.62 1r12 n LYS 93 Ca -0.06 0.22 -0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1r12 n LYS 93 Cb 0.41 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.51 0.52 -0.12 5.64 2.02 -0.86 -4.89 117.35 117.15 1r12 s TYR 94 Ca -0.37 -1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 55.24 1r12 s TYR 94 Cb 0.12 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1r12 s TYR 94 CO 0.55 -0.41 0.10 0.42 -1.57 0.00 0.00 175.55 174.63 1r12 s ILE 95 N -3.93 5.19 0.43 2.71 -1.09 0.03 -2.50 121.20 122.05 1r12 s ILE 95 Ca 0.09 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.66 1r12 s ILE 95 Cb 0.08 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1r12 s ILE 95 CO -0.09 0.61 0.17 0.42 -1.23 0.00 0.00 174.94 174.82 1r12 s THR 96 N -0.92 2.12 0.44 2.92 -4.23 -1.26 -1.08 115.64 113.63 1r12 s THR 96 Ca 0.14 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1r12 s THR 96 Cb -0.12 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.14 1r12 s THR 96 CO 0.03 0.00 2.07 0.25 -0.54 0.00 0.00 174.62 176.43 1r12 h LEU 97 N 1.40 0.35 0.00 4.79 5.85 -1.98 -1.45 115.31 124.28 1r12 h LEU 97 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1r12 h LEU 97 Cb 1.26 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1r12 h LEU 97 CO 0.71 0.25 0.00 -0.62 -0.34 0.00 0.00 178.44 178.43 1r12 n GLU 98 N -4.49 0.52 0.03 1.25 4.71 -1.26 -1.71 120.64 119.69 1r12 n GLU 98 Ca 0.03 0.04 0.11 0.00 -0.01 0.00 0.00 57.16 57.33 1r12 n GLU 98 Cb 0.12 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.98 1r12 n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1r12 n ASP 99 N -1.16 0.45 -4.83 1.62 8.00 -0.55 -3.05 116.55 117.03 1r12 n ASP 99 Ca 0.14 -0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 1r12 n ASP 99 Cb 0.14 1.22 0.06 0.00 -0.02 0.00 0.00 41.12 42.51 1r12 n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r12 s THR 100 N -3.35 3.76 0.14 -3.53 -4.23 -0.69 -4.78 115.64 102.96 1r12 s THR 100 Ca -0.02 0.57 -0.21 0.00 -1.18 0.00 0.00 61.69 60.86 1r12 s THR 100 Cb 0.13 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.60 1r12 s THR 100 CO 0.85 -0.75 1.66 0.25 -0.54 0.00 0.00 174.62 176.09 1r12 h LEU 101 N -0.76 -0.48 -0.93 4.79 5.85 -1.86 0.23 115.31 122.15 1r12 h LEU 101 Ca -0.45 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1r12 h LEU 101 Cb 1.23 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1r12 h LEU 101 CO 0.59 -0.19 -0.26 1.55 -0.34 0.00 0.00 178.44 179.80 1r12 h PRO 102 N -0.14 0.48 -0.40 5.25 0.13 -1.89 -1.19 132.00 134.24 1r12 h PRO 102 Ca 0.12 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 1r12 h PRO 102 Cb 0.33 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1r12 h PRO 102 CO -0.30 0.70 -0.23 0.78 -0.23 0.00 0.00 178.00 178.72 1r12 h GLY 103 N 1.02 0.94 0.95 1.56 0.00 -1.53 -2.59 103.07 103.43 1r12 h GLY 103 Ca 0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 1r12 h GLY 103 CO 0.05 0.79 0.19 -1.82 0.00 0.00 0.00 176.54 175.75 1r12 h TYR 104 N 0.68 0.64 -0.76 5.60 5.03 -0.40 -0.66 116.97 127.10 1r12 h TYR 104 Ca 0.08 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1r12 h TYR 104 Cb 0.80 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1r12 h TYR 104 CO 0.06 0.54 0.29 0.52 -1.32 0.00 0.00 178.16 178.25 1r12 h MET 105 N 0.55 1.14 -0.01 1.82 2.86 -1.13 -3.28 114.93 116.87 1r12 h MET 105 Ca 0.14 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1r12 h MET 105 Cb 0.16 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1r12 h MET 105 CO -0.01 0.94 -0.32 1.28 1.06 0.00 0.00 176.91 179.85 1r12 n LEU 106 N -4.31 1.92 -4.64 1.22 7.99 -0.99 -4.79 117.00 113.41 1r12 n LEU 106 Ca 0.06 -0.80 -0.49 0.00 -0.01 0.00 0.00 56.01 54.77 1r12 n LEU 106 Cb 0.19 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 1r12 n LEU 106 CO 0.41 0.36 1.12 -3.20 -1.51 0.00 0.00 177.39 174.57 1r12 n ASN 107 N 0.12 2.54 0.00 -1.43 5.15 -0.26 -1.23 115.26 120.15 1r12 n ASN 107 Ca 0.08 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1r12 n ASN 107 Cb 0.40 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 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 3.53 0.00 -4.92 1.20 7.64 -1.26 -5.00 113.62 114.81 1r12 n SER 108 Ca 0.19 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.80 1r12 n SER 108 Cb 0.24 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 62.71 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 3.46 -0.07 -3.43 1.43 -0.37 -5.02 118.68 114.68 1r12 s LEU 109 Ca 0.00 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1r12 s LEU 109 Cb 0.00 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1r12 s LEU 109 CO 0.00 -0.81 -0.06 -0.69 0.23 0.00 0.00 176.35 175.02 1r12 s VAL 110 N -2.82 0.78 0.14 -1.59 1.01 -1.26 -4.99 120.40 111.66 1r12 s VAL 110 Ca 0.50 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1r12 s VAL 110 Cb -0.10 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1r12 s VAL 110 CO 0.44 0.30 0.47 -1.66 0.00 0.00 0.00 175.10 174.65 1r12 s TRP 111 N 1.28 -0.30 0.07 5.22 -2.14 -1.26 -1.14 118.94 120.67 1r12 s TRP 111 Ca -0.04 0.01 -0.26 0.00 2.66 0.00 0.00 56.10 58.47 1r12 s TRP 111 Cb -0.14 0.36 0.07 0.00 -3.10 0.00 0.00 33.47 30.66 1r12 s TRP 111 CO -0.02 -0.76 0.65 0.00 -2.66 0.00 0.00 176.95 174.16 1r12 s GLY 113 N -2.11 1.74 0.01 0.00 0.00 -1.25 -1.21 107.32 104.50 1r12 s GLY 113 Ca -0.03 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.44 1r12 s GLY 113 CO -0.04 -0.72 0.33 -0.86 0.00 0.00 0.00 173.10 171.81 1r12 s GLN 114 N -5.08 0.76 0.15 2.90 -2.07 -0.01 -2.98 119.66 113.34 1r12 s GLN 114 Ca 0.59 -0.31 -0.08 0.00 -1.82 0.00 0.00 55.36 53.75 1r12 s GLN 114 Cb -0.10 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1r12 s GLN 114 CO 0.42 -0.23 1.44 0.00 -1.32 0.00 0.00 175.29 175.60 1r12 h ARG 115 N 3.49 0.71 -7.10 9.60 3.08 -1.78 -2.87 114.38 119.51 1r12 h ARG 115 Ca -0.30 -0.47 -0.49 0.00 0.07 0.00 0.00 59.98 58.78 1r12 h ARG 115 Cb 1.19 0.06 0.06 0.00 0.08 0.00 0.00 29.97 31.36 1r12 h ARG 115 CO 0.43 1.09 0.41 0.00 -1.07 0.00 0.00 179.97 180.83 1r12 s ALA 116 N -4.00 2.72 0.46 0.04 0.00 -1.26 -4.69 121.76 115.03 1r12 s ALA 116 Ca -0.09 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.34 1r12 s ALA 116 Cb 0.10 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 1r12 s ALA 116 CO 0.87 -0.70 0.97 -1.71 0.00 0.00 0.00 175.76 175.19 1r12 n ASN 117 N -1.38 1.02 -0.09 0.00 2.85 -1.26 -0.73 115.26 115.66 1r12 n ASN 117 Ca 0.11 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.55 1r12 n ASN 117 Cb 0.52 -1.35 0.01 0.00 1.24 0.00 0.00 39.78 40.20 1r12 n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r12 n PRO 118 N -0.08 1.05 -0.25 1.20 -0.04 -1.26 -4.88 135.00 130.75 1r12 n PRO 118 Ca 0.10 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1r12 n PRO 118 Cb 0.41 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.48 0.81 3.09 0.55 0.00 0.09 -4.82 105.19 105.39 1r12 n GLY 119 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.61 0.19 -0.35 1.61 -0.71 -1.26 -0.60 117.98 114.25 1r12 s PHE 120 Ca 0.00 -0.45 -0.16 0.00 -1.04 0.00 0.00 56.93 55.27 1r12 s PHE 120 Cb 0.00 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1r12 s PHE 120 CO 0.00 -0.32 0.43 1.21 -1.34 0.00 0.00 175.22 175.19 1r12 s ASN 121 N -1.90 6.24 0.00 1.98 3.84 -0.35 -4.69 114.94 120.06 1r12 s ASN 121 Ca -0.08 -0.16 0.27 0.00 0.21 0.00 0.00 52.86 53.10 1r12 s ASN 121 Cb -0.03 -2.23 0.83 0.00 -0.55 0.00 0.00 41.25 39.27 1r12 s ASN 121 CO -0.03 -0.40 1.61 -0.62 -2.79 0.00 0.00 177.10 174.87 1r12 n GLU 122 N 5.53 1.01 -0.08 0.43 1.02 -1.26 -4.39 120.64 122.90 1r12 n GLU 122 Ca -0.07 -0.59 -0.11 0.00 -0.02 0.00 0.00 57.16 56.36 1r12 n GLU 122 Cb 0.49 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.48 0.40 -3.70 3.49 5.02 -1.26 -4.76 118.16 116.87 1r12 n LYS 123 Ca 0.14 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.38 1r12 n LYS 123 Cb 0.35 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.32 0.02 0.12 -0.18 0.11 -1.26 -4.48 120.40 112.41 1r12 s VAL 124 Ca -0.22 -0.13 0.11 0.00 -2.93 0.00 0.00 61.98 58.81 1r12 s VAL 124 Cb 0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1r12 s VAL 124 CO 0.37 -0.07 -0.27 0.00 -3.33 0.00 0.00 175.10 171.80 1r12 s PRO 126 N -1.98 1.95 0.00 0.00 0.04 -1.26 -0.55 135.00 133.20 1r12 s PRO 126 Ca 0.14 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1r12 s PRO 126 Cb -0.10 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1r12 s PRO 126 CO 0.06 -1.99 0.32 -0.25 0.04 0.00 0.00 177.00 175.17 1r12 n ASP 127 N -2.88 0.00 0.00 6.66 9.92 -1.26 -4.49 116.55 124.50 1r12 n ASP 127 Ca 0.14 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1r12 n ASP 127 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1r12 n ASP 127 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1r12 n PHE 128 N -0.70 0.00 1.30 1.24 -0.00 -1.26 -4.23 117.46 113.80 1r12 n PHE 128 Ca 0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.60 1r12 n PHE 128 Cb 0.00 -0.46 0.64 0.00 -0.00 0.00 0.00 39.48 39.66 1r12 n PHE 128 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1r12 n LYS 129 N -0.83 0.38 0.06 -4.13 4.76 -1.26 -2.40 118.16 114.74 1r12 n LYS 129 Ca 0.00 -0.07 0.08 0.00 -2.87 0.00 0.00 58.31 55.45 1r12 n LYS 129 Cb 0.00 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 1r12 n LYS 129 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r12 n THR 130 N -1.24 0.67 -3.56 -0.18 -2.24 -1.26 -4.92 114.28 101.55 1r12 n THR 130 Ca 0.12 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 1r12 n THR 130 Cb 0.28 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1r12 n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r12 s PRO 132 N -2.49 0.74 0.24 0.00 0.04 -1.26 -4.63 135.00 127.64 1r12 s PRO 132 Ca 0.41 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1r12 s PRO 132 Cb -0.12 -1.71 0.38 0.00 0.04 0.00 0.00 34.50 33.09 1r12 s PRO 132 CO 0.22 -2.76 1.82 -0.24 0.04 0.00 0.00 177.00 176.08 1r12 h VAL 133 N -1.95 0.94 0.00 -0.36 3.04 -1.98 -1.56 116.25 114.38 1r12 h VAL 133 Ca -0.47 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1r12 h VAL 133 Cb 1.28 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1r12 h VAL 133 CO 0.45 0.15 -0.04 0.06 -1.01 0.00 0.00 177.57 177.17 1r12 h GLN 134 N 0.82 0.00 0.00 4.17 -0.00 -1.90 -0.89 115.11 117.31 1r12 h GLN 134 Ca 0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.86 1r12 h GLN 134 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.77 1r12 h GLN 134 CO -0.23 0.04 -0.98 0.00 -0.00 0.00 0.00 178.83 177.66 1r12 h ALA 135 N 1.96 0.21 -0.91 0.06 0.00 -1.43 -2.65 119.26 116.50 1r12 h ALA 135 Ca -0.00 -1.06 0.16 0.00 0.00 0.00 0.00 54.91 54.02 1r12 h ALA 135 Cb 0.17 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1r12 h ALA 135 CO 0.01 0.55 0.50 -0.09 0.00 0.00 0.00 179.25 180.21 1r12 h ARG 136 N -1.00 0.66 -0.39 0.00 2.43 -1.00 -2.00 114.38 113.08 1r12 h ARG 136 Ca -0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1r12 h ARG 136 Cb 1.24 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1r12 h ARG 136 CO -0.16 0.43 0.00 0.39 -1.51 0.00 0.00 179.97 179.12 1r12 n GLU 137 N -4.83 2.37 -0.16 0.20 1.02 -0.37 -4.65 120.64 114.22 1r12 n GLU 137 Ca 0.19 -2.08 -0.04 0.00 -0.02 0.00 0.00 57.16 55.22 1r12 n GLU 137 Cb 0.48 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.44 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 3.96 -0.64 0.16 1.62 0.87 -0.97 0.28 113.55 118.84 1r12 h SER 138 Ca 0.00 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1r12 h SER 138 Cb 0.88 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1r12 h SER 138 CO 0.00 -0.21 -0.08 0.15 -0.53 0.00 0.00 176.83 176.16 1r12 h PHE 139 N -0.07 -0.21 0.00 2.24 3.57 -1.82 -2.84 116.94 117.81 1r12 h PHE 139 Ca 0.24 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1r12 h PHE 139 Cb 0.43 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1r12 h PHE 139 CO -0.47 -0.03 -0.16 -1.49 -2.23 0.00 0.00 178.31 173.93 1r12 h TRP 140 N -1.04 0.00 -0.22 0.41 4.06 -1.88 0.16 115.95 117.44 1r12 h TRP 140 Ca -0.02 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.77 1r12 h TRP 140 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1r12 h TRP 140 CO 0.02 0.16 -0.48 0.78 -3.56 0.00 0.00 178.44 175.37 1r12 h GLY 141 N 1.36 0.78 1.53 1.49 0.00 -0.54 0.11 103.07 107.80 1r12 h GLY 141 Ca -0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 47.33 46.21 1r12 h GLY 141 CO 0.02 0.84 -0.69 1.98 0.00 0.00 0.00 176.54 178.70 1r12 h MET 142 N 0.43 0.47 -0.28 4.80 1.85 -1.20 -0.59 114.93 120.41 1r12 h MET 142 Ca 0.00 -0.36 0.01 0.00 -0.61 0.00 0.00 59.70 58.75 1r12 h MET 142 Cb 1.08 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 1r12 h MET 142 CO 0.11 0.98 0.16 0.00 -0.40 0.00 0.00 176.91 177.76 1r12 h ALA 143 N 0.92 0.34 -0.48 0.39 0.00 -0.48 -0.76 119.26 119.19 1r12 h ALA 143 Ca -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1r12 h ALA 143 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1r12 h ALA 143 CO 0.12 -0.22 0.07 0.77 0.00 0.00 0.00 179.25 179.99 1r12 h SER 144 N 0.33 0.70 -0.31 0.00 0.02 -0.63 -1.07 113.55 112.59 1r12 h SER 144 Ca 0.11 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1r12 h SER 144 Cb -0.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1r12 h SER 144 CO -0.05 0.73 -0.04 0.28 -1.14 0.00 0.00 176.83 176.61 1r12 h SER 145 N 0.72 0.58 -0.39 3.07 0.02 -0.71 -1.18 113.55 115.65 1r12 h SER 145 Ca 0.15 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1r12 h SER 145 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1r12 h SER 145 CO 0.01 0.78 -0.10 -1.28 -1.14 0.00 0.00 176.83 175.10 1r12 h SER 146 N 0.36 0.76 -0.16 3.07 0.87 -1.08 -1.60 113.55 115.78 1r12 h SER 146 Ca 0.08 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1r12 h SER 146 Cb 0.51 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1r12 h SER 146 CO 0.02 0.95 -0.02 0.22 -0.53 0.00 0.00 176.83 177.47 1r12 h TYR 147 N 0.56 -0.05 -0.68 2.24 3.20 -1.12 -2.83 116.97 118.28 1r12 h TYR 147 Ca 0.10 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1r12 h TYR 147 Cb 0.62 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1r12 h TYR 147 CO 0.05 -0.05 0.16 0.00 -1.64 0.00 0.00 178.16 176.68 1r12 h ALA 148 N 1.15 0.99 -0.02 1.82 0.00 -1.11 -2.05 119.26 120.04 1r12 h ALA 148 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1r12 h ALA 148 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1r12 h ALA 148 CO -0.15 0.65 0.02 1.25 0.00 0.00 0.00 179.25 181.02 1r12 h HIS 149 N 1.03 0.00 -0.01 0.00 -0.00 -1.19 -2.52 115.15 112.45 1r12 h HIS 149 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1r12 h HIS 149 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1r12 h HIS 149 CO 0.03 0.00 -0.18 0.43 -0.00 0.00 0.00 177.93 178.20 1r12 n SER 150 N -4.28 1.32 -4.77 3.26 7.64 -0.79 -4.73 113.62 111.26 1r12 n SER 150 Ca -0.03 -1.16 -0.39 0.00 1.01 0.00 0.00 58.87 58.30 1r12 n SER 150 Cb 0.11 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.33 3.29 0.01 -0.43 0.00 -0.95 -4.25 121.76 117.10 1r12 s ALA 151 Ca 0.28 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1r12 s ALA 151 Cb 0.20 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1r12 s ALA 151 CO 0.46 -0.44 -0.03 -1.21 0.00 0.00 0.00 175.76 174.54 1r12 s GLU 152 N -1.97 0.22 4.00 0.00 2.02 -1.26 -4.39 118.70 117.32 1r12 s GLU 152 Ca 0.52 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1r12 s GLU 152 Cb -0.33 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1r12 s GLU 152 CO 0.42 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1r12 n GLY 153 N 2.40 0.37 3.74 -1.39 0.00 0.09 -1.10 105.19 109.30 1r12 n GLY 153 Ca -0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 4.69 0.18 1.61 2.02 -1.26 -0.71 118.70 125.22 1r12 s GLU 154 Ca 0.00 1.39 0.11 0.00 0.02 0.00 0.00 54.97 56.49 1r12 s GLU 154 Cb 0.00 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1r12 s GLU 154 CO 0.00 0.29 -0.22 0.14 0.02 0.00 0.00 175.26 175.48 1r12 s VAL 155 N -0.25 2.47 0.03 2.63 -7.23 -0.14 -3.88 120.40 114.03 1r12 s VAL 155 Ca 0.44 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1r12 s VAL 155 Cb -0.23 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1r12 s VAL 155 CO 0.29 -0.06 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.88 1r12 s THR 156 N -1.53 2.31 -0.09 5.32 2.01 -0.54 -0.09 115.64 123.03 1r12 s THR 156 Ca 0.20 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 1r12 s THR 156 Cb -0.09 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1r12 s THR 156 CO 0.10 0.40 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.93 1r12 s TYR 157 N -0.80 0.97 -0.17 4.92 5.04 0.27 -0.43 117.35 127.15 1r12 s TYR 157 Ca 0.12 -0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.30 1r12 s TYR 157 Cb -0.10 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.21 1r12 s TYR 157 CO 0.02 -0.40 0.06 1.41 -1.34 0.00 0.00 175.55 175.31 1r12 s MET 158 N 1.87 3.82 0.21 4.97 -2.45 -0.32 -0.56 119.30 126.84 1r12 s MET 158 Ca 0.05 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 1r12 s MET 158 Cb -0.12 -3.16 -0.05 0.00 1.25 0.00 0.00 34.83 32.75 1r12 s MET 158 CO -0.06 0.37 0.03 0.14 1.05 0.00 0.00 175.02 176.55 1r12 s VAL 159 N 0.09 0.70 -0.31 10.11 -7.23 0.09 -1.31 120.40 122.54 1r12 s VAL 159 Ca 0.05 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1r12 s VAL 159 Cb -0.12 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1r12 s VAL 159 CO 0.01 -0.31 0.41 -0.62 -0.31 0.00 0.00 175.10 174.28 1r12 s ASP 160 N -3.24 6.26 -0.29 4.85 -1.08 -1.19 -0.77 116.67 121.21 1r12 s ASP 160 Ca 0.29 0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.52 1r12 s ASP 160 Cb 0.06 -2.22 0.67 0.00 -1.46 0.00 0.00 42.92 39.97 1r12 s ASP 160 CO 0.08 -0.30 1.68 0.61 0.52 0.00 0.00 175.17 177.76 1r12 n GLY 161 N 4.77 3.92 0.39 2.66 0.00 0.29 -4.03 105.19 113.18 1r12 n GLY 161 Ca -0.08 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.37 1.36 -4.20 1.61 7.64 -1.25 -0.93 113.62 117.49 1r12 n SER 162 Ca 0.36 -2.71 -0.37 0.00 1.01 0.00 0.00 58.87 57.16 1r12 n SER 162 Cb 1.24 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.97 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 -2.20 5.19 0.27 6.43 3.84 -1.26 -4.83 114.94 122.39 1r12 s ASN 163 Ca 0.22 -1.47 0.20 0.00 0.21 0.00 0.00 52.86 52.02 1r12 s ASN 163 Cb 0.20 -1.82 1.02 0.00 -0.55 0.00 0.00 41.25 40.10 1r12 s ASN 163 CO -0.01 -0.39 1.62 -0.81 -2.79 0.00 0.00 177.10 174.72 1r12 n PRO 164 N 4.70 0.14 0.00 0.43 -0.04 -1.26 -2.68 135.00 136.29 1r12 n PRO 164 Ca -0.10 0.56 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 1r12 n PRO 164 Cb 0.43 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.18 1.86 -3.60 0.54 5.02 -1.26 -4.92 118.16 113.62 1r12 n LYS 165 Ca -0.00 -0.66 -0.21 0.00 -2.02 0.00 0.00 58.31 55.41 1r12 n LYS 165 Cb 0.09 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.83 -0.18 0.84 -0.18 1.01 -1.09 -5.14 120.40 113.82 1r12 s VAL 166 Ca 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1r12 s VAL 166 Cb 0.12 -0.48 0.10 0.00 0.00 0.00 0.00 36.38 36.11 1r12 s VAL 166 CO 0.39 -0.11 1.11 -2.16 0.00 0.00 0.00 175.10 174.34 1r12 s PRO 167 N 2.22 1.67 0.16 2.72 0.04 -1.26 -4.53 135.00 136.02 1r12 s PRO 167 Ca 0.04 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.25 1r12 s PRO 167 Cb -0.15 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1r12 s PRO 167 CO -0.08 -2.10 1.76 0.00 0.04 0.00 0.00 177.00 176.61 1r12 h ALA 168 N -1.47 0.48 -3.85 8.56 0.00 -1.91 -3.40 119.26 117.66 1r12 h ALA 168 Ca -0.44 0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 1r12 h ALA 168 Cb 1.25 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.75 1r12 h ALA 168 CO 0.47 -0.23 -0.84 -0.47 0.00 0.00 0.00 179.25 178.18 1r12 s TYR 169 N -6.15 2.55 -0.02 0.00 5.04 -1.26 -4.62 117.35 112.90 1r12 s TYR 169 Ca -0.13 -0.64 -0.01 0.00 -2.44 0.00 0.00 57.07 53.85 1r12 s TYR 169 Cb 0.13 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.79 1r12 s TYR 169 CO 0.72 -0.16 0.04 1.03 -1.34 0.00 0.00 175.55 175.84 1r12 s ARG 170 N -0.14 0.05 0.48 4.97 0.52 -1.26 -4.84 118.95 118.73 1r12 s ARG 170 Ca -0.03 0.07 0.32 0.00 -0.52 0.00 0.00 55.73 55.57 1r12 s ARG 170 Cb -0.14 0.01 1.48 0.00 0.52 0.00 0.00 34.95 36.82 1r12 s ARG 170 CO 0.04 -0.01 1.96 -1.00 0.02 0.00 0.00 175.30 176.31 1r12 h PRO 171 N 6.15 0.00 -0.61 3.54 0.13 -1.99 -2.97 132.00 136.25 1r12 h PRO 171 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1r12 h PRO 171 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r12 h PRO 171 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 1r12 n ASP 172 N -2.78 3.75 -4.66 1.44 5.75 -1.26 -2.45 116.55 116.33 1r12 n ASP 172 Ca -0.00 -2.00 -0.29 0.00 -0.01 0.00 0.00 54.79 52.49 1r12 n ASP 172 Cb 0.21 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1r12 n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1r12 s SER 173 N -1.18 3.79 0.32 -1.12 1.04 -1.12 -4.77 113.70 110.67 1r12 s SER 173 Ca 0.45 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.62 1r12 s SER 173 Cb 0.25 -1.13 0.55 0.00 0.10 0.00 0.00 66.02 65.79 1r12 s SER 173 CO 0.33 -2.35 1.89 -0.26 0.98 0.00 0.00 173.24 173.83 1r12 h PHE 174 N -1.37 0.70 -0.19 5.02 -1.00 -1.91 0.22 116.94 118.41 1r12 h PHE 174 Ca -0.47 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.24 1r12 h PHE 174 Cb 1.31 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 1r12 h PHE 174 CO -0.10 0.58 0.00 0.35 -1.61 0.00 0.00 178.31 177.53 1r12 h PHE 175 N 0.67 0.36 -0.28 -0.55 3.57 -1.90 0.13 116.94 118.95 1r12 h PHE 175 Ca 0.16 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 1r12 h PHE 175 Cb 0.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1r12 h PHE 175 CO 0.01 0.52 -0.24 0.78 -2.23 0.00 0.00 178.31 177.15 1r12 h GLY 176 N 0.09 0.57 0.82 2.40 0.00 -1.55 -0.30 103.07 105.11 1r12 h GLY 176 Ca 0.05 -0.47 -0.34 0.00 0.00 0.00 0.00 47.33 46.57 1r12 h GLY 176 CO 0.01 0.43 -1.84 1.70 0.00 0.00 0.00 176.54 176.84 1r12 h LYS 177 N 0.47 0.24 0.00 4.80 3.64 -0.63 -3.41 116.57 121.68 1r12 h LYS 177 Ca 0.07 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1r12 h LYS 177 Cb 0.67 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1r12 h LYS 177 CO 0.05 1.10 -1.17 0.66 -2.27 0.00 0.00 179.45 177.82 1r12 n TYR 178 N -3.42 0.00 -0.07 1.91 4.01 0.39 -4.74 117.16 115.23 1r12 n TYR 178 Ca -0.26 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.41 1r12 n TYR 178 Cb 1.05 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.96 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 -1.80 0.43 -0.24 -0.72 1.02 -0.85 -3.96 120.64 114.52 1r12 n GLU 179 Ca -0.02 0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1r12 n GLU 179 Cb 0.28 -1.31 0.13 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.83 -0.34 -2.47 -4.62 5.85 -1.34 0.63 115.31 112.19 1r12 h LEU 180 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1r12 h LEU 180 Cb 0.77 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1r12 h LEU 180 CO 0.00 -0.16 0.00 -0.65 -0.34 0.00 0.00 178.44 177.29 1r12 h PRO 181 N 0.10 0.00 -0.38 5.25 0.11 -1.79 -2.51 132.00 132.78 1r12 h PRO 181 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1r12 h PRO 181 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1r12 h PRO 181 CO -0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.27 1r12 n ASN 182 N -2.97 3.25 -4.73 -2.05 3.02 0.18 -4.94 115.26 107.02 1r12 n ASN 182 Ca -0.02 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1r12 n ASN 182 Cb 0.12 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.26 4.39 0.59 3.41 1.43 -0.95 -3.49 118.68 122.80 1r12 s LEU 183 Ca 0.34 2.37 0.05 0.00 -1.03 0.00 0.00 54.13 55.86 1r12 s LEU 183 Cb 0.19 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.90 1r12 s LEU 183 CO 0.27 -0.61 0.82 0.42 0.23 0.00 0.00 176.35 177.48 1r12 s THR 184 N 0.67 2.34 -1.66 5.49 -4.23 -1.26 -4.95 115.64 112.03 1r12 s THR 184 Ca 0.61 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1r12 s THR 184 Cb -0.37 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.10 1r12 s THR 184 CO 0.34 0.00 0.98 -0.46 -0.54 0.00 0.00 174.62 174.94 1r12 n ASN 185 N -2.38 0.00 0.21 3.99 0.23 -1.26 -0.73 115.26 115.32 1r12 n ASN 185 Ca 0.13 0.02 0.13 0.00 -0.53 0.00 0.00 54.58 54.34 1r12 n ASN 185 Cb 0.61 -0.17 0.32 0.00 -2.08 0.00 0.00 39.78 38.46 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 -6.56 -3.83 1.79 -1.93 -3.44 116.57 102.61 1r12 h LYS 186 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1r12 h LYS 186 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1r12 h LYS 186 CO 0.00 0.00 0.14 0.08 -1.08 0.00 0.00 179.45 178.59 1r12 s VAL 187 N -3.28 4.48 -0.01 0.50 1.01 0.09 -0.73 120.40 122.46 1r12 s VAL 187 Ca 0.06 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1r12 s VAL 187 Cb 0.07 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1r12 s VAL 187 CO 0.62 0.33 0.03 0.35 0.00 0.00 0.00 175.10 176.43 1r12 n THR 188 N 1.07 0.00 -3.58 3.92 -2.24 0.11 -4.82 114.28 108.74 1r12 n THR 188 Ca -0.04 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1r12 n THR 188 Cb 0.50 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.84 0.89 -0.20 -0.78 3.52 -1.24 -1.11 118.95 118.19 1r12 s ARG 189 Ca -0.00 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.18 1r12 s ARG 189 Cb 0.01 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1r12 s ARG 189 CO 0.04 -0.20 -0.13 0.08 -0.81 0.00 0.00 175.30 174.27 1r12 s VAL 190 N -0.41 2.60 -0.34 7.11 1.01 -0.45 -0.97 120.40 128.95 1r12 s VAL 190 Ca -0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1r12 s VAL 190 Cb -0.03 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.24 1r12 s VAL 190 CO 0.04 0.47 0.11 -0.54 0.00 0.00 0.00 175.10 175.18 1r12 s LYS 191 N 1.36 2.65 -0.07 2.72 1.02 0.87 -2.49 119.74 125.81 1r12 s LYS 191 Ca 0.05 -1.16 -0.16 0.00 0.02 0.00 0.00 55.97 54.72 1r12 s LYS 191 Cb -0.14 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 1r12 s LYS 191 CO -0.09 -0.66 0.42 0.08 -0.92 0.00 0.00 175.35 174.18 1r12 s VAL 192 N 1.41 5.12 -0.24 3.17 1.01 -0.12 -0.57 120.40 130.20 1r12 s VAL 192 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1r12 s VAL 192 Cb -0.19 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1r12 s VAL 192 CO 0.03 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1r12 s ILE 193 N -0.22 2.46 -0.33 2.22 1.01 0.28 -1.54 121.20 125.07 1r12 s ILE 193 Ca 0.24 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1r12 s ILE 193 Cb -0.16 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1r12 s ILE 193 CO 0.11 0.21 0.38 -0.69 0.00 0.00 0.00 174.94 174.95 1r12 s VAL 194 N 1.25 5.15 -0.11 2.92 1.01 0.02 -0.73 120.40 129.90 1r12 s VAL 194 Ca -0.01 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 1r12 s VAL 194 Cb -0.17 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1r12 s VAL 194 CO -0.07 -0.06 0.79 -0.22 0.00 0.00 0.00 175.10 175.55 1r12 s LEU 195 N 2.07 4.25 -0.41 3.92 2.96 0.05 -1.57 118.68 129.96 1r12 s LEU 195 Ca 0.13 1.23 -0.06 0.00 -0.22 0.00 0.00 54.13 55.21 1r12 s LEU 195 Cb -0.16 -3.21 0.10 0.00 0.50 0.00 0.00 46.19 43.41 1r12 s LEU 195 CO 0.12 -0.27 0.22 -1.00 -1.32 0.00 0.00 176.35 174.10 1r12 s HIS 196 N 1.49 3.45 0.45 5.38 3.76 -1.26 -0.55 115.29 128.02 1r12 s HIS 196 Ca 0.39 -2.00 -0.25 0.00 -0.15 0.00 0.00 55.06 53.05 1r12 s HIS 196 Cb -0.18 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.35 1r12 s HIS 196 CO 0.16 -0.92 1.36 0.54 -0.85 0.00 0.00 174.74 175.03 1r12 n ARG 197 N 4.75 2.06 -2.06 1.40 1.74 -1.26 -4.88 116.66 118.41 1r12 n ARG 197 Ca -0.07 0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 1r12 n ARG 197 Cb 0.42 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 1r12 n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r12 s LEU 198 N -2.34 4.39 0.00 0.55 1.43 -1.26 -2.69 118.68 118.77 1r12 s LEU 198 Ca 0.62 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 1r12 s LEU 198 Cb -0.47 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1r12 s LEU 198 CO 0.57 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1r12 n GLY 199 N 2.44 1.11 3.59 -3.19 0.00 -1.26 -5.02 105.19 102.86 1r12 n GLY 199 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.09 2.10 0.23 1.61 2.02 -1.09 -5.09 118.70 118.38 1r12 s GLU 200 Ca 0.00 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.30 1r12 s GLU 200 Cb 0.00 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 32.01 1r12 s GLU 200 CO 0.00 0.40 1.50 0.21 0.02 0.00 0.00 175.26 177.38 1r12 s LYS 201 N -3.22 4.23 -0.03 1.61 2.20 -1.26 -4.79 119.74 118.48 1r12 s LYS 201 Ca 0.28 2.36 -0.30 0.00 -0.36 0.00 0.00 55.97 57.95 1r12 s LYS 201 Cb -0.07 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1r12 s LYS 201 CO 0.17 -0.50 1.30 0.42 -0.36 0.00 0.00 175.35 176.38 1r12 s ILE 202 N 0.31 3.99 -0.22 5.43 1.01 -1.26 -4.66 121.20 125.79 1r12 s ILE 202 Ca 0.63 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 1r12 s ILE 202 Cb -0.43 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 1r12 s ILE 202 CO 0.41 -0.01 -0.25 -0.38 0.00 0.00 0.00 174.94 174.71 1r12 n ILE 203 N 4.67 1.24 -4.86 2.92 2.08 -0.10 -5.02 119.36 120.29 1r12 n ILE 203 Ca 0.12 -0.38 -0.27 0.00 0.56 0.00 0.00 62.75 62.78 1r12 n ILE 203 Cb 0.45 -1.58 -0.15 0.00 -0.75 0.00 0.00 39.64 37.61 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 -2.42 1.60 0.09 0.38 0.41 -0.40 -5.02 118.70 113.33 1r12 s GLU 204 Ca -0.31 -0.89 0.04 0.00 -0.41 0.00 0.00 54.97 53.41 1r12 s GLU 204 Cb 0.10 -1.64 -0.03 0.00 -1.78 0.00 0.00 34.13 30.78 1r12 s GLU 204 CO 0.44 0.43 -0.12 0.15 -0.49 0.00 0.00 175.26 175.67 1r12 s LYS 205 N -0.89 0.84 0.54 1.61 1.02 -1.26 -4.77 119.74 116.84 1r12 s LYS 205 Ca 0.08 -1.07 -0.22 0.00 0.02 0.00 0.00 55.97 54.79 1r12 s LYS 205 Cb -0.09 -0.69 -0.06 0.00 -0.52 0.00 0.00 37.83 36.48 1r12 s LYS 205 CO 0.01 0.13 1.29 0.00 -0.92 0.00 0.00 175.35 175.86 1r12 n GLY 207 N 0.84 0.48 3.32 0.00 0.00 -1.26 -5.01 105.19 103.57 1r12 n GLY 207 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.92 -0.40 0.00 4.61 0.00 -1.13 -4.77 121.76 118.14 1r12 s ALA 208 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1r12 s ALA 208 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1r12 s ALA 208 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1r12 n GLY 209 N -0.19 2.70 0.27 0.00 0.00 -1.26 -1.94 105.19 104.76 1r12 n GLY 209 Ca -0.12 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 3.80 0.00 0.77 1.61 4.64 -1.92 -1.60 113.55 120.85 1r12 h SER 210 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1r12 h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1r12 h SER 210 CO 0.00 0.11 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.60 1r12 h LEU 211 N 0.00 0.00 -0.16 5.97 3.38 -1.67 -0.13 115.31 122.70 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 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1r12 h LEU 211 CO 0.01 0.40 -0.84 0.25 0.09 0.00 0.00 178.44 178.36 1r12 h LEU 212 N 0.00 0.85 -0.41 1.67 6.46 -1.09 -0.99 115.31 121.80 1r12 h LEU 212 Ca -0.00 -0.59 -0.03 0.00 -0.12 0.00 0.00 57.88 57.13 1r12 h LEU 212 Cb 0.90 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1r12 h LEU 212 CO 0.05 1.38 0.13 0.44 -0.62 0.00 0.00 178.44 179.83 1r12 h ASP 213 N 0.45 0.59 -0.82 1.25 3.32 -1.02 -2.41 116.42 117.78 1r12 h ASP 213 Ca -0.07 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1r12 h ASP 213 Cb 1.47 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 1r12 h ASP 213 CO 0.17 0.63 0.53 0.25 -1.72 0.00 0.00 179.24 179.10 1r12 h LEU 214 N 0.52 0.96 -0.90 1.55 5.85 -0.93 -2.43 115.31 119.93 1r12 h LEU 214 Ca 0.13 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1r12 h LEU 214 Cb 0.25 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1r12 h LEU 214 CO -0.01 0.71 0.58 -0.08 -0.34 0.00 0.00 178.44 179.31 1r12 h GLU 215 N 1.12 1.10 -0.58 1.25 4.81 -0.83 0.12 114.58 121.57 1r12 h GLU 215 Ca 0.30 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1r12 h GLU 215 Cb -0.10 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.00 1r12 h GLU 215 CO -0.06 0.73 0.20 -0.22 -0.73 0.00 0.00 179.01 178.92 1r12 h LYS 216 N 1.14 0.89 -0.58 1.92 3.64 -1.09 -0.80 116.57 121.69 1r12 h LYS 216 Ca 0.35 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1r12 h LYS 216 Cb -0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1r12 h LYS 216 CO -0.11 0.79 0.13 -0.07 -2.27 0.00 0.00 179.45 177.92 1r12 h LEU 217 N 0.81 0.89 -0.34 5.20 3.38 -0.90 -1.41 115.31 122.95 1r12 h LEU 217 Ca 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1r12 h LEU 217 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r12 h LEU 217 CO -0.01 0.90 0.03 0.58 0.09 0.00 0.00 178.44 180.03 1r12 h VAL 218 N 0.84 1.25 -0.11 1.22 2.07 -0.72 -2.81 116.25 117.99 1r12 h VAL 218 Ca 0.18 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1r12 h VAL 218 Cb 0.36 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1r12 h VAL 218 CO 0.00 0.29 -0.16 0.11 0.02 0.00 0.00 177.57 177.83 1r12 h LYS 219 N 0.39 0.17 0.00 1.57 1.57 -1.00 -2.21 116.57 117.06 1r12 h LYS 219 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1r12 h LYS 219 Cb 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1r12 h LYS 219 CO 0.01 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1r12 h ALA 220 N 1.67 1.00 -0.63 3.86 0.00 -1.00 -0.37 119.26 123.80 1r12 h ALA 220 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r12 h ALA 220 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r12 h ALA 220 CO 0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1r12 n LYS 221 N -3.00 3.29 -2.18 0.00 5.02 -0.87 -4.94 118.16 115.48 1r12 n LYS 221 Ca -0.00 -2.61 -0.20 0.00 -2.02 0.00 0.00 58.31 53.48 1r12 n LYS 221 Cb 0.23 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 1r12 n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r12 n HIS 222 N 1.17 -0.72 -3.90 2.13 8.25 -0.15 -5.00 115.22 117.00 1r12 n HIS 222 Ca 0.24 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.44 1r12 n HIS 222 Cb 0.77 -3.75 -0.03 0.00 1.12 0.00 0.00 29.99 28.10 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 -2.94 3.48 0.78 4.41 0.08 -0.99 -4.98 117.98 117.81 1r12 s PHE 223 Ca 0.00 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.06 1r12 s PHE 223 Cb 0.00 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1r12 s PHE 223 CO 0.00 0.47 1.10 0.00 -0.10 0.00 0.00 175.22 176.69 1r12 s ALA 224 N -1.82 2.36 -0.09 5.36 0.00 -0.26 -4.11 121.76 123.20 1r12 s ALA 224 Ca 0.35 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 1r12 s ALA 224 Cb -0.11 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1r12 s ALA 224 CO 0.29 -1.62 0.25 0.12 0.00 0.00 0.00 175.76 174.80 1r12 s PHE 225 N -3.18 -0.27 0.08 0.00 5.36 -1.26 -1.34 117.98 117.36 1r12 s PHE 225 Ca 0.60 0.67 -0.14 0.00 -0.96 0.00 0.00 56.93 57.10 1r12 s PHE 225 Cb -0.14 0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1r12 s PHE 225 CO 0.54 -0.13 0.33 0.16 -1.46 0.00 0.00 175.22 174.65 1r12 s ASP 226 N 0.16 -0.14 -0.14 6.13 3.84 -1.04 -4.98 116.67 120.51 1r12 s ASP 226 Ca -0.00 -0.28 -0.10 0.00 -0.00 0.00 0.00 52.55 52.17 1r12 s ASP 226 Cb -0.02 0.40 0.05 0.00 -1.38 0.00 0.00 42.92 41.96 1r12 s ASP 226 CO 0.00 -0.71 0.35 0.00 -0.00 0.00 0.00 175.17 174.81 1r12 s VAL 228 N 0.85 0.66 -0.15 0.00 0.11 -0.59 -4.98 120.40 116.30 1r12 s VAL 228 Ca -0.05 -1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 57.78 1r12 s VAL 228 Cb -0.06 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1r12 s VAL 228 CO -0.06 -0.40 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.60 1r12 s GLU 229 N -1.83 3.46 -1.20 1.54 2.02 -1.26 -0.80 118.70 120.62 1r12 s GLU 229 Ca -0.06 -0.63 -0.34 0.00 0.02 0.00 0.00 54.97 53.96 1r12 s GLU 229 Cb -0.09 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.43 1r12 s GLU 229 CO 0.00 0.16 0.69 0.09 0.02 0.00 0.00 175.26 176.22 1r12 n ASN 230 N 3.71 -4.21 -4.71 -0.19 4.13 -0.61 -4.88 115.26 108.50 1r12 n ASN 230 Ca -0.18 -1.29 -0.37 0.00 1.68 0.00 0.00 54.58 54.42 1r12 n ASN 230 Cb 0.52 -1.72 0.07 0.00 -1.54 0.00 0.00 39.78 37.11 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 -4.97 1.13 -0.28 3.52 -0.04 -1.26 -4.46 135.00 128.64 1r12 n PRO 231 Ca -0.11 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1r12 n PRO 231 Cb 0.57 -2.49 0.25 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.58 0.27 -0.90 0.54 3.08 -1.99 0.81 114.38 116.77 1r12 h ARG 232 Ca -0.51 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.61 1r12 h ARG 232 Cb 1.34 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 1r12 h ARG 232 CO 0.53 0.18 0.55 0.00 -1.07 0.00 0.00 179.97 180.16 1r12 h ALA 233 N 1.70 1.28 0.03 0.04 0.00 -2.00 0.15 119.26 120.47 1r12 h ALA 233 Ca 0.50 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.29 1r12 h ALA 233 Cb 0.94 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1r12 h ALA 233 CO -0.57 0.23 -0.53 0.28 0.00 0.00 0.00 179.25 178.66 1r12 h VAL 234 N 0.95 1.50 -0.65 0.00 2.07 -1.45 -3.17 116.25 115.50 1r12 h VAL 234 Ca 0.42 -2.17 0.10 0.00 0.82 0.00 0.00 66.70 65.87 1r12 h VAL 234 Cb 0.30 2.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.83 1r12 h VAL 234 CO -0.22 0.61 0.26 0.25 0.02 0.00 0.00 177.57 178.49 1r12 h LEU 235 N -0.32 0.27 -1.50 2.57 5.85 -0.49 -0.13 115.31 121.56 1r12 h LEU 235 Ca -0.08 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1r12 h LEU 235 Cb 1.30 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1r12 h LEU 235 CO 0.10 0.15 0.16 -0.26 -0.34 0.00 0.00 178.44 178.25 1r12 h PHE 236 N 0.44 0.49 -0.45 1.25 0.04 -1.05 0.08 116.94 117.74 1r12 h PHE 236 Ca 0.33 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 61.01 1r12 h PHE 236 Cb 0.42 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1r12 h PHE 236 CO -0.16 0.37 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.82 1r12 h LEU 237 N 0.50 0.81 -0.84 1.54 3.38 -1.05 -0.64 115.31 119.01 1r12 h LEU 237 Ca 0.13 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1r12 h LEU 237 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1r12 h LEU 237 CO -0.02 0.94 0.38 -0.07 0.09 0.00 0.00 178.44 179.77 1r12 h LEU 238 N 0.66 1.11 -1.34 1.67 3.38 -0.29 -2.28 115.31 118.23 1r12 h LEU 238 Ca 0.12 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1r12 h LEU 238 Cb 0.55 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1r12 h LEU 238 CO 0.03 0.95 -0.33 0.00 0.09 0.00 0.00 178.44 179.18 1r12 h SER 240 N 0.00 0.13 0.15 0.00 0.87 -0.51 0.15 113.55 114.34 1r12 h SER 240 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1r12 h SER 240 Cb 0.58 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1r12 h SER 240 CO 0.04 0.27 -0.17 0.47 -0.53 0.00 0.00 176.83 176.91 1r12 n ASP 241 N -4.32 1.21 -2.74 6.23 8.00 -0.93 -4.37 116.55 119.62 1r12 n ASP 241 Ca -0.01 -1.11 -0.08 0.00 0.71 0.00 0.00 54.79 54.30 1r12 n ASP 241 Cb 0.23 0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.35 -2.68 0.28 -2.24 4.05 -0.66 -5.02 115.26 108.64 1r12 n ASN 242 Ca 0.14 -3.40 0.19 0.00 0.45 0.00 0.00 54.58 51.96 1r12 n ASN 242 Cb 0.35 1.85 0.99 0.00 1.23 0.00 0.00 39.78 44.20 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 3.63 0.00 -0.31 1.20 0.13 -0.95 -2.35 132.00 133.36 1r12 h PRO 243 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1r12 h PRO 243 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1r12 h PRO 243 CO 0.25 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.11 1r12 n ASN 244 N -2.84 2.59 -4.75 1.44 5.03 -1.26 -4.86 115.26 110.60 1r12 n ASN 244 Ca -0.02 -1.88 -0.38 0.00 0.87 0.00 0.00 54.58 53.17 1r12 n ASN 244 Cb 0.09 -0.20 0.03 0.00 -1.02 0.00 0.00 39.78 38.68 1r12 n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r12 s ALA 245 N -1.60 2.85 0.47 5.41 0.00 -0.89 -4.91 121.76 123.09 1r12 s ALA 245 Ca 0.35 1.27 0.13 0.00 0.00 0.00 0.00 51.96 53.71 1r12 s ALA 245 Cb 0.20 -3.54 1.08 0.00 0.00 0.00 0.00 23.12 20.85 1r12 s ALA 245 CO 0.28 -1.26 2.08 0.00 0.00 0.00 0.00 175.76 176.86 1r12 h ARG 246 N 1.55 0.17 0.00 0.00 3.08 -1.92 -1.82 114.38 115.44 1r12 h ARG 246 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1r12 h ARG 246 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1r12 h ARG 246 CO 0.58 0.16 0.00 0.93 -1.07 0.00 0.00 179.97 180.56 1r12 h GLU 247 N 0.17 0.00 -0.63 0.04 3.07 -1.96 -2.94 114.58 112.33 1r12 h GLU 247 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1r12 h GLU 247 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1r12 h GLU 247 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1r12 s ARG 249 N -2.20 4.21 0.32 0.00 6.06 -1.11 -4.98 118.95 121.25 1r12 s ARG 249 Ca 0.53 2.39 -0.02 0.00 -2.50 0.00 0.00 55.73 56.13 1r12 s ARG 249 Cb 0.37 -3.13 -0.04 0.00 0.06 0.00 0.00 34.95 32.21 1r12 s ARG 249 CO 0.22 -0.58 0.55 -0.51 -2.50 0.00 0.00 175.30 172.48 1r12 s LEU 250 N 0.66 4.02 0.00 -0.88 1.43 -1.26 -5.17 118.68 117.48 1r12 s LEU 250 Ca 0.67 0.57 0.12 0.00 -1.03 0.00 0.00 54.13 54.47 1r12 s LEU 250 Cb -0.44 -3.42 0.74 0.00 0.03 0.00 0.00 46.19 43.10 1r12 s LEU 250 CO 0.35 -0.26 1.17 0.00 0.23 0.00 0.00 176.35 177.84