#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm2 s PRO 9 N 0.00 4.40 -0.24 0.00 0.04 -1.26 -4.84 135.00 133.10 1xm2 s PRO 9 Ca 0.00 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 1xm2 s PRO 9 Cb 0.00 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1xm2 s PRO 9 CO 0.00 -0.35 0.14 0.08 0.04 0.00 0.00 177.00 176.91 1xm2 s VAL 10 N 1.88 5.13 -0.08 -0.36 1.01 -1.13 -5.01 120.40 121.84 1xm2 s VAL 10 Ca 0.54 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1xm2 s VAL 10 Cb -0.24 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1xm2 s VAL 10 CO 0.23 0.34 -0.18 -0.70 0.00 0.00 0.00 175.10 174.79 1xm2 s GLU 11 N 1.16 2.82 -0.08 2.72 2.12 -1.26 -0.64 118.70 125.54 1xm2 s GLU 11 Ca 0.07 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1xm2 s GLU 11 Cb -0.14 -2.37 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1xm2 s GLU 11 CO 0.05 0.39 -0.06 0.08 -0.54 0.00 0.00 175.26 175.17 1xm2 s VAL 12 N -0.13 0.80 0.08 3.70 1.01 0.12 -4.97 120.40 121.01 1xm2 s VAL 12 Ca -0.03 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1xm2 s VAL 12 Cb -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1xm2 s VAL 12 CO 0.04 0.31 -0.26 -0.89 0.00 0.00 0.00 175.10 174.30 1xm2 s THR 13 N 1.34 2.28 0.00 3.92 2.01 -1.26 -0.20 115.64 123.72 1xm2 s THR 13 Ca -0.03 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1xm2 s THR 13 Cb -0.14 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1xm2 s THR 13 CO -0.03 0.23 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 1xm2 n TYR 14 N 1.34 0.00 -0.03 4.92 9.36 -1.26 -5.02 117.16 126.48 1xm2 n TYR 14 Ca -0.17 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.00 1xm2 n TYR 14 Cb 0.52 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1xm2 n TYR 14 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1xm2 n LYS 15 N 0.00 0.12 -2.76 2.98 2.85 -1.26 -4.70 118.16 115.39 1xm2 n LYS 15 Ca 0.00 0.04 -0.35 0.00 -1.05 0.00 0.00 58.31 56.95 1xm2 n LYS 15 Cb 0.00 -0.94 -0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1xm2 n LYS 15 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1xm2 n ASN 16 N -2.90 6.18 0.00 -5.58 2.04 -1.26 -5.14 115.26 108.60 1xm2 n ASN 16 Ca -0.10 -3.69 0.00 0.00 -0.44 0.00 0.00 54.58 50.35 1xm2 n ASN 16 Cb 0.59 -0.92 0.00 0.00 -2.53 0.00 0.00 39.78 36.92 1xm2 n ASN 16 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1xm2 n ARG 18 N -0.14 0.00 -4.73 -3.83 0.63 -1.26 -4.76 116.66 102.56 1xm2 n ARG 18 Ca 0.40 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 57.06 1xm2 n ARG 18 Cb 0.31 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.08 1xm2 n ARG 18 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1xm2 s PHE 19 N 0.00 2.03 -0.27 -0.14 0.40 0.72 -2.09 117.98 118.63 1xm2 s PHE 19 Ca 0.00 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1xm2 s PHE 19 Cb 0.00 -1.21 0.05 0.00 0.51 0.00 0.00 43.02 42.38 1xm2 s PHE 19 CO 0.00 0.11 -0.07 -1.17 0.70 0.00 0.00 175.22 174.79 1xm2 s LEU 20 N -1.24 3.54 -0.21 -0.37 2.96 -0.82 0.15 118.68 122.69 1xm2 s LEU 20 Ca 0.09 -1.30 -0.17 0.00 -0.22 0.00 0.00 54.13 52.52 1xm2 s LEU 20 Cb -0.09 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1xm2 s LEU 20 CO 0.02 -0.20 0.48 -0.63 -1.32 0.00 0.00 176.35 174.69 1xm2 s ILE 21 N 1.17 5.13 0.26 6.68 1.01 0.18 -1.11 121.20 134.52 1xm2 s ILE 21 Ca -0.07 0.86 0.04 0.00 0.00 0.00 0.00 60.65 61.48 1xm2 s ILE 21 Cb -0.20 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1xm2 s ILE 21 CO -0.04 0.19 -0.00 0.42 0.00 0.00 0.00 174.94 175.51 1xm2 s THR 22 N 1.62 1.22 0.75 2.92 -4.23 -0.87 -2.83 115.64 114.21 1xm2 s THR 22 Ca 0.22 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.55 1xm2 s THR 22 Cb -0.15 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.39 1xm2 s THR 22 CO 0.09 -0.24 0.91 1.41 -0.54 0.00 0.00 174.62 176.25 1xm2 n HIS 23 N -0.52 -3.90 -3.18 3.99 8.25 -1.26 -3.18 115.22 115.41 1xm2 n HIS 23 Ca -0.04 -0.81 -0.39 0.00 -0.26 0.00 0.00 57.72 56.22 1xm2 n HIS 23 Cb 0.64 -0.76 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 1xm2 n HIS 23 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xm2 s ASN 24 N -4.27 6.82 0.50 0.41 3.84 -1.14 -4.63 114.94 116.46 1xm2 s ASN 24 Ca 0.53 0.99 0.08 0.00 0.21 0.00 0.00 52.86 54.67 1xm2 s ASN 24 Cb -0.02 -2.35 0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1xm2 s ASN 24 CO 0.38 -0.07 0.62 -2.16 -2.79 0.00 0.00 177.10 173.09 1xm2 s PRO 25 N 0.76 2.50 0.26 0.43 0.04 -1.26 -5.08 135.00 132.65 1xm2 s PRO 25 Ca 0.31 -1.54 0.02 0.00 0.04 0.00 0.00 61.00 59.83 1xm2 s PRO 25 Cb -0.16 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1xm2 s PRO 25 CO 0.14 -0.56 0.15 0.95 0.04 0.00 0.00 177.00 177.72 1xm2 s THR 26 N -2.55 0.19 0.42 1.26 -4.23 -1.26 -4.51 115.64 104.95 1xm2 s THR 26 Ca 0.55 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 1xm2 s THR 26 Cb -0.06 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1xm2 s THR 26 CO 0.34 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 177.19 1xm2 h ASN 27 N 2.39 0.00 -0.19 3.99 2.35 -1.96 0.23 115.58 122.40 1xm2 h ASN 27 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1xm2 h ASN 27 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1xm2 h ASN 27 CO 0.52 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 176.48 1xm2 n ALA 28 N -2.41 2.58 -1.68 -0.83 0.00 -1.26 -3.81 120.51 113.10 1xm2 n ALA 28 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1xm2 n ALA 28 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1xm2 n ALA 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xm2 n THR 29 N 0.10 0.00 0.24 0.00 -1.04 -0.76 -4.92 114.28 107.91 1xm2 n THR 29 Ca 0.07 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 1xm2 n THR 29 Cb 0.26 0.52 0.59 0.00 -1.82 0.00 0.00 70.33 69.88 1xm2 n THR 29 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xm2 h LEU 30 N 0.00 0.00 0.26 -4.42 6.46 -1.08 -2.66 115.31 113.86 1xm2 h LEU 30 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1xm2 h LEU 30 Cb 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1xm2 h LEU 30 CO 0.00 0.13 -0.12 0.78 -0.62 0.00 0.00 178.44 178.61 1xm2 h ASN 31 N 0.00 -0.29 -0.34 1.25 2.35 -1.86 0.01 115.58 116.71 1xm2 h ASN 31 Ca -0.00 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1xm2 h ASN 31 Cb 0.24 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1xm2 h ASN 31 CO 0.02 -0.19 0.00 0.50 -1.65 0.00 0.00 177.43 176.11 1xm2 h LYS 32 N -0.36 0.70 -0.59 0.81 3.64 -1.92 -2.50 116.57 116.34 1xm2 h LYS 32 Ca -0.04 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 1xm2 h LYS 32 Cb 0.28 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1xm2 h LYS 32 CO 0.06 0.71 0.06 0.35 -2.27 0.00 0.00 179.45 178.36 1xm2 h PHE 33 N 0.66 1.07 -0.24 1.91 3.57 -1.22 -2.56 116.94 120.12 1xm2 h PHE 33 Ca 0.13 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 1xm2 h PHE 33 Cb 0.40 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1xm2 h PHE 33 CO 0.02 0.94 -0.39 0.82 -2.23 0.00 0.00 178.31 177.47 1xm2 h ILE 34 N 0.90 1.31 -0.52 1.41 2.04 -0.85 -2.45 117.51 119.35 1xm2 h ILE 34 Ca 0.18 -1.59 0.10 0.00 1.00 0.00 0.00 64.86 64.54 1xm2 h ILE 34 Cb 0.47 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1xm2 h ILE 34 CO 0.02 0.50 0.06 -0.33 0.00 0.00 0.00 178.15 178.40 1xm2 h GLU 35 N 0.41 0.17 -0.48 2.37 5.08 -1.36 0.39 114.58 121.16 1xm2 h GLU 35 Ca 0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xm2 h GLU 35 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1xm2 h GLU 35 CO 0.09 0.12 0.18 0.93 -1.00 0.00 0.00 179.01 179.32 1xm2 h GLU 36 N 0.18 0.73 -0.14 2.33 4.39 -1.42 -2.14 114.58 118.50 1xm2 h GLU 36 Ca 0.26 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1xm2 h GLU 36 Cb 0.38 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1xm2 h GLU 36 CO -0.38 0.67 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.02 1xm2 h LEU 37 N 0.63 -0.14 -1.28 1.33 3.38 -0.76 -1.58 115.31 116.90 1xm2 h LEU 37 Ca 0.16 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1xm2 h LEU 37 Cb 0.22 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1xm2 h LEU 37 CO -0.01 -0.05 0.54 0.11 0.09 0.00 0.00 178.44 179.12 1xm2 h LYS 38 N -0.00 0.79 -0.67 1.13 1.57 -0.84 -2.01 116.57 116.54 1xm2 h LYS 38 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1xm2 h LYS 38 Cb 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1xm2 h LYS 38 CO -0.15 0.53 0.34 0.87 -0.57 0.00 0.00 179.45 180.46 1xm2 h LYS 39 N 0.82 0.95 -0.30 3.15 1.79 -0.62 -2.71 116.57 119.65 1xm2 h LYS 39 Ca 0.38 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1xm2 h LYS 39 Cb 0.38 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1xm2 h LYS 39 CO -0.15 0.74 0.00 0.66 -1.08 0.00 0.00 179.45 179.62 1xm2 n TYR 40 N -4.49 0.26 -3.09 -1.35 4.02 -0.80 -4.90 117.16 106.83 1xm2 n TYR 40 Ca 0.05 -0.12 -0.16 0.00 -0.01 0.00 0.00 57.90 57.66 1xm2 n TYR 40 Cb 0.11 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1xm2 n TYR 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xm2 n GLY 41 N 0.65 -0.13 3.65 2.72 0.00 -1.02 -4.68 105.19 106.38 1xm2 n GLY 41 Ca 0.06 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1xm2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xm2 s VAL 42 N -3.13 4.64 -0.08 1.61 1.01 -0.95 -2.63 120.40 120.87 1xm2 s VAL 42 Ca 0.34 1.82 0.03 0.00 0.00 0.00 0.00 61.98 64.17 1xm2 s VAL 42 Cb -0.15 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.66 1xm2 s VAL 42 CO 0.42 -0.29 0.53 0.35 0.00 0.00 0.00 175.10 176.11 1xm2 n THR 43 N 5.54 1.70 -3.83 3.92 -2.24 -1.08 -4.73 114.28 113.55 1xm2 n THR 43 Ca 0.11 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1xm2 n THR 43 Cb 0.47 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 1xm2 n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xm2 s THR 44 N -2.58 0.09 -0.04 4.28 -4.23 -1.26 -1.09 115.64 110.81 1xm2 s THR 44 Ca -0.13 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1xm2 s THR 44 Cb 0.07 -0.74 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1xm2 s THR 44 CO 0.80 -0.42 -0.14 -0.51 -0.54 0.00 0.00 174.62 173.81 1xm2 s ILE 45 N -2.06 1.20 -0.34 2.99 2.07 0.69 -2.60 121.20 123.16 1xm2 s ILE 45 Ca -0.09 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 58.48 1xm2 s ILE 45 Cb -0.03 -1.04 0.02 0.00 0.13 0.00 0.00 42.46 41.53 1xm2 s ILE 45 CO -0.01 0.35 0.14 -0.69 -1.91 0.00 0.00 174.94 172.83 1xm2 s VAL 46 N 0.12 4.24 -0.38 4.00 1.01 0.61 -2.13 120.40 127.87 1xm2 s VAL 46 Ca -0.04 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1xm2 s VAL 46 Cb -0.11 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1xm2 s VAL 46 CO 0.02 -0.11 0.81 -0.60 0.00 0.00 0.00 175.10 175.22 1xm2 s ARG 47 N 1.51 3.72 0.00 2.72 3.52 -0.32 -2.34 118.95 127.77 1xm2 s ARG 47 Ca 0.02 0.30 0.22 0.00 -0.13 0.00 0.00 55.73 56.14 1xm2 s ARG 47 Cb -0.18 -3.82 0.28 0.00 -1.56 0.00 0.00 34.95 29.66 1xm2 s ARG 47 CO 0.05 -0.90 1.28 1.55 -0.81 0.00 0.00 175.30 176.47 1xm2 n VAL 48 N 5.87 0.23 -3.52 7.11 3.14 -1.04 -1.18 118.33 128.93 1xm2 n VAL 48 Ca 0.04 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 1xm2 n VAL 48 Cb 0.48 1.25 0.00 0.00 -1.06 0.00 0.00 33.84 34.51 1xm2 n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xm2 s GLU 50 N -0.57 4.13 0.13 0.00 1.03 -1.26 -4.47 118.70 117.68 1xm2 s GLU 50 Ca 0.00 1.66 -0.31 0.00 0.03 0.00 0.00 54.97 56.35 1xm2 s GLU 50 Cb 0.00 -2.62 -0.08 0.00 -0.80 0.00 0.00 34.13 30.62 1xm2 s GLU 50 CO 0.00 -0.21 1.43 0.00 -1.33 0.00 0.00 175.26 175.16 1xm2 s ALA 51 N -1.53 3.64 0.00 -0.84 0.00 -1.26 -4.89 121.76 116.88 1xm2 s ALA 51 Ca 0.57 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1xm2 s ALA 51 Cb -0.26 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1xm2 s ALA 51 CO 0.33 -0.65 0.13 0.25 0.00 0.00 0.00 175.76 175.81 1xm2 n THR 52 N 3.96 0.00 -3.95 0.00 -2.24 -1.26 -5.08 114.28 105.70 1xm2 n THR 52 Ca 0.12 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1xm2 n THR 52 Cb 0.41 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1xm2 n THR 52 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1xm2 s TYR 53 N -0.25 0.30 -0.37 4.78 -0.85 -1.26 -4.25 117.35 115.44 1xm2 s TYR 53 Ca 0.00 -0.66 -0.25 0.00 -0.52 0.00 0.00 57.07 55.64 1xm2 s TYR 53 Cb 0.00 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.52 1xm2 s TYR 53 CO 0.00 -0.92 0.89 0.34 -1.52 0.00 0.00 175.55 174.34 1xm2 s ASP 54 N -2.99 6.64 0.46 -0.18 3.68 -1.26 -4.94 116.67 118.09 1xm2 s ASP 54 Ca 0.19 0.51 0.24 0.00 2.13 0.00 0.00 52.55 55.62 1xm2 s ASP 54 Cb 0.00 -2.45 1.08 0.00 -1.45 0.00 0.00 42.92 40.10 1xm2 s ASP 54 CO 0.05 -0.84 1.90 0.71 0.13 0.00 0.00 175.17 177.12 1xm2 h THR 55 N 5.82 0.61 -0.04 1.71 1.35 -2.01 -2.90 112.91 117.45 1xm2 h THR 55 Ca -0.24 -0.97 0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1xm2 h THR 55 Cb 1.08 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1xm2 h THR 55 CO 0.97 0.21 0.05 0.71 -0.25 0.00 0.00 175.52 177.20 1xm2 h THR 56 N 0.00 0.45 -0.38 6.82 1.35 -1.99 0.27 112.91 119.44 1xm2 h THR 56 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1xm2 h THR 56 Cb 0.62 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1xm2 h THR 56 CO 0.03 0.00 -0.33 -0.07 -0.25 0.00 0.00 175.52 174.90 1xm2 h LEU 57 N 0.00 0.88 0.23 3.87 3.38 -1.94 -1.61 115.31 120.13 1xm2 h LEU 57 Ca 0.02 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1xm2 h LEU 57 Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xm2 h LEU 57 CO -0.00 1.13 -0.11 0.58 0.09 0.00 0.00 178.44 180.13 1xm2 h VAL 58 N 0.71 0.84 -0.92 1.22 2.07 -1.15 -2.77 116.25 116.25 1xm2 h VAL 58 Ca 0.07 -0.65 0.27 0.00 0.82 0.00 0.00 66.70 67.21 1xm2 h VAL 58 Cb 0.88 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1xm2 h VAL 58 CO 0.08 0.14 0.73 -0.33 0.02 0.00 0.00 177.57 178.20 1xm2 h GLU 59 N -0.65 0.00 -0.36 1.57 5.08 -1.24 0.28 114.58 119.26 1xm2 h GLU 59 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xm2 h GLU 59 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1xm2 h GLU 59 CO 0.05 0.00 0.21 -0.22 -1.00 0.00 0.00 179.01 178.05 1xm2 h LYS 60 N 0.00 0.49 -0.63 2.33 3.64 -0.99 -2.62 116.57 118.79 1xm2 h LYS 60 Ca 0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xm2 h LYS 60 Cb 1.88 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1xm2 h LYS 60 CO -0.00 0.38 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 1xm2 n GLU 61 N -4.79 0.97 -0.59 1.90 -0.58 0.08 -4.86 120.64 112.78 1xm2 n GLU 61 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xm2 n GLU 61 Cb 0.06 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1xm2 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm2 n GLY 62 N 0.18 0.77 3.63 0.62 0.00 -0.99 -5.04 105.19 104.35 1xm2 n GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1xm2 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xm2 s ILE 63 N -2.79 5.31 0.41 -0.61 1.01 -1.23 -4.92 121.20 118.38 1xm2 s ILE 63 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 1xm2 s ILE 63 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1xm2 s ILE 63 CO 0.00 0.28 0.97 -1.00 0.00 0.00 0.00 174.94 175.19 1xm2 s HIS 64 N 1.46 3.37 -0.03 3.97 3.76 -0.25 -3.26 115.29 124.32 1xm2 s HIS 64 Ca 0.09 1.65 0.07 0.00 -0.15 0.00 0.00 55.06 56.72 1xm2 s HIS 64 Cb -0.15 -2.91 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 1xm2 s HIS 64 CO 0.08 -0.15 -0.22 0.08 -0.85 0.00 0.00 174.74 173.68 1xm2 s VAL 65 N -1.97 1.79 -0.08 -0.90 1.01 -1.26 -0.22 120.40 118.76 1xm2 s VAL 65 Ca 0.59 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1xm2 s VAL 65 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1xm2 s VAL 65 CO 0.18 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 174.94 1xm2 s LEU 66 N -0.42 1.34 -0.77 3.92 1.43 -0.91 -4.97 118.68 118.30 1xm2 s LEU 66 Ca 0.06 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1xm2 s LEU 66 Cb -0.10 -0.77 0.20 0.00 0.03 0.00 0.00 46.19 45.56 1xm2 s LEU 66 CO 0.00 -0.06 0.67 -0.62 0.23 0.00 0.00 176.35 176.57 1xm2 s ASP 67 N 1.24 6.21 -0.76 2.29 -1.08 -1.26 -1.18 116.67 122.13 1xm2 s ASP 67 Ca -0.04 -2.83 0.03 0.00 -0.52 0.00 0.00 52.55 49.19 1xm2 s ASP 67 Cb -0.14 -2.07 0.19 0.00 -1.46 0.00 0.00 42.92 39.43 1xm2 s ASP 67 CO -0.03 -0.47 0.59 0.79 0.52 0.00 0.00 175.17 176.57 1xm2 n TRP 68 N 3.68 3.54 -3.01 -5.34 8.01 -0.33 -4.99 117.44 119.01 1xm2 n TRP 68 Ca 0.12 -4.26 -0.38 0.00 -1.31 0.00 0.00 57.50 51.67 1xm2 n TRP 68 Cb 0.43 -0.77 -0.06 0.00 -2.01 0.00 0.00 31.31 28.90 1xm2 n TRP 68 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1xm2 s PRO 69 N -1.49 4.47 0.05 -0.99 0.04 -1.24 -4.20 135.00 131.63 1xm2 s PRO 69 Ca 0.26 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.38 1xm2 s PRO 69 Cb -0.04 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1xm2 s PRO 69 CO -0.15 0.50 -0.05 -0.59 0.04 0.00 0.00 177.00 176.75 1xm2 s PHE 70 N -1.29 0.54 0.31 0.56 -0.12 -0.68 -4.94 117.98 112.37 1xm2 s PHE 70 Ca 0.39 -0.69 -0.27 0.00 -0.05 0.00 0.00 56.93 56.31 1xm2 s PHE 70 Cb -0.21 -0.35 -0.13 0.00 -0.63 0.00 0.00 43.02 41.70 1xm2 s PHE 70 CO 0.24 -0.19 1.04 -0.25 -0.05 0.00 0.00 175.22 176.01 1xm2 n ASP 71 N 1.00 1.44 -4.72 1.98 9.92 -1.26 -4.77 116.55 120.15 1xm2 n ASP 71 Ca -0.20 1.16 -0.43 0.00 -0.53 0.00 0.00 54.79 54.80 1xm2 n ASP 71 Cb 0.57 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.71 1xm2 n ASP 71 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xm2 n ASP 72 N 1.08 3.54 0.00 -2.24 2.03 -1.26 -2.78 116.55 116.93 1xm2 n ASP 72 Ca 0.09 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.53 1xm2 n ASP 72 Cb 0.34 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 1xm2 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xm2 n GLY 73 N 2.53 1.40 3.71 0.27 0.00 -1.26 -4.96 105.19 106.88 1xm2 n GLY 73 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1xm2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 s ALA 74 N 0.00 1.94 0.41 4.61 0.00 -1.12 -4.72 121.76 122.88 1xm2 s ALA 74 Ca 0.00 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 1xm2 s ALA 74 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1xm2 s ALA 74 CO 0.00 -2.13 1.02 -1.25 0.00 0.00 0.00 175.76 173.39 1xm2 s PRO 75 N -4.21 4.18 0.45 0.00 0.04 -1.26 -4.76 135.00 129.44 1xm2 s PRO 75 Ca 0.71 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.92 1xm2 s PRO 75 Cb -0.26 -2.45 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 1xm2 s PRO 75 CO 0.50 -0.11 1.19 -1.25 0.04 0.00 0.00 177.00 177.36 1xm2 s PRO 76 N -2.66 3.78 1.20 0.56 0.04 -1.26 -4.90 135.00 131.77 1xm2 s PRO 76 Ca 0.59 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 1xm2 s PRO 76 Cb -0.19 -2.47 0.29 0.00 0.04 0.00 0.00 34.50 32.17 1xm2 s PRO 76 CO 0.23 -0.55 0.88 -1.13 0.04 0.00 0.00 177.00 176.48 1xm2 n SER 77 N -0.38 -2.03 -0.09 6.66 3.41 -1.26 -4.76 113.62 115.17 1xm2 n SER 77 Ca 0.07 -0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1xm2 n SER 77 Cb 0.47 -1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.21 1xm2 n SER 77 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xm2 h ASN 78 N -2.72 0.95 -0.45 4.04 2.35 -2.00 -2.59 115.58 115.17 1xm2 h ASN 78 Ca -0.63 -0.45 0.03 0.00 -0.55 0.00 0.00 56.30 54.70 1xm2 h ASN 78 Cb 1.34 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 1xm2 h ASN 78 CO 0.48 1.24 0.23 1.56 -1.65 0.00 0.00 177.43 179.30 1xm2 h GLN 79 N 0.70 0.45 -0.30 0.81 1.08 -1.99 -0.31 115.11 115.56 1xm2 h GLN 79 Ca 0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1xm2 h GLN 79 Cb 1.02 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1xm2 h GLN 79 CO 0.10 0.30 0.09 0.82 -0.95 0.00 0.00 178.83 179.20 1xm2 h ILE 80 N 0.47 1.20 -0.99 2.54 2.04 -1.89 0.21 117.51 121.09 1xm2 h ILE 80 Ca 0.19 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1xm2 h ILE 80 Cb 0.08 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1xm2 h ILE 80 CO -0.12 0.22 0.65 0.58 0.00 0.00 0.00 178.15 179.47 1xm2 h VAL 81 N 0.33 1.18 0.34 1.67 2.07 -1.25 0.66 116.25 121.25 1xm2 h VAL 81 Ca 0.10 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1xm2 h VAL 81 Cb 0.24 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1xm2 h VAL 81 CO -0.00 0.23 -0.16 -0.78 0.02 0.00 0.00 177.57 176.87 1xm2 h ASP 82 N 1.25 -0.39 -0.45 0.57 3.58 -0.54 -1.34 116.42 119.11 1xm2 h ASP 82 Ca 0.39 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 1xm2 h ASP 82 Cb -0.00 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1xm2 h ASP 82 CO -0.12 -0.28 0.26 0.44 -2.88 0.00 0.00 179.24 176.67 1xm2 h ASP 83 N -0.47 0.54 -0.13 2.28 3.32 -0.68 -1.90 116.42 119.39 1xm2 h ASP 83 Ca -0.05 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 56.98 1xm2 h ASP 83 Cb 0.36 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1xm2 h ASP 83 CO 0.08 0.45 -0.35 -0.25 -1.72 0.00 0.00 179.24 177.44 1xm2 h TRP 84 N 0.59 -0.99 -0.96 4.55 -0.00 -0.72 0.73 115.95 119.15 1xm2 h TRP 84 Ca 0.16 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.09 1xm2 h TRP 84 Cb 0.01 0.45 -0.05 0.00 -0.00 0.00 0.00 29.16 29.58 1xm2 h TRP 84 CO -0.03 -0.43 0.60 -0.07 -0.00 0.00 0.00 178.44 178.52 1xm2 h LEU 85 N -0.43 1.14 -0.53 0.65 3.38 -1.09 -0.36 115.31 118.07 1xm2 h LEU 85 Ca 0.09 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xm2 h LEU 85 Cb 0.58 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1xm2 h LEU 85 CO -0.37 0.86 0.33 0.28 0.09 0.00 0.00 178.44 179.63 1xm2 h SER 86 N 1.32 0.55 -0.36 -0.43 0.02 -0.55 -0.43 113.55 113.67 1xm2 h SER 86 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1xm2 h SER 86 Cb -0.09 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1xm2 h SER 86 CO -0.07 0.39 0.23 0.25 -1.14 0.00 0.00 176.83 176.49 1xm2 h LEU 87 N 0.67 0.42 0.16 5.07 5.85 -0.25 -2.28 115.31 124.94 1xm2 h LEU 87 Ca 0.20 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xm2 h LEU 87 Cb -0.02 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1xm2 h LEU 87 CO -0.07 0.33 -0.07 0.58 -0.34 0.00 0.00 178.44 178.86 1xm2 h VAL 88 N 0.47 0.89 -0.63 1.05 2.07 -0.71 -1.05 116.25 118.35 1xm2 h VAL 88 Ca 0.13 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1xm2 h VAL 88 Cb -0.02 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1xm2 h VAL 88 CO -0.03 0.04 0.27 0.50 0.02 0.00 0.00 177.57 178.38 1xm2 h LYS 89 N -0.29 0.47 0.11 1.57 3.64 -1.01 -3.21 116.57 117.84 1xm2 h LYS 89 Ca -0.02 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.11 1xm2 h LYS 89 Cb 0.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xm2 h LYS 89 CO 0.04 0.31 -1.09 0.82 -2.27 0.00 0.00 179.45 177.26 1xm2 h ILE 90 N 0.48 1.25 -0.11 2.00 1.08 -1.39 -3.37 117.51 117.46 1xm2 h ILE 90 Ca 0.31 -2.43 0.05 0.00 -0.39 0.00 0.00 64.86 62.40 1xm2 h ILE 90 Cb 0.34 2.90 -0.06 0.00 -3.07 0.00 0.00 36.82 36.93 1xm2 h ILE 90 CO -0.27 0.67 -0.30 0.50 -0.69 0.00 0.00 178.15 178.06 1xm2 h LYS 91 N -0.43 -0.37 0.00 2.37 1.63 -1.22 0.28 116.57 118.82 1xm2 h LYS 91 Ca -0.23 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1xm2 h LYS 91 Cb 1.63 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 1xm2 h LYS 91 CO 0.07 -0.25 0.00 1.19 -3.45 0.00 0.00 179.45 177.01 1xm2 n PHE 92 N -5.40 0.75 -0.10 1.91 3.01 -1.22 0.52 117.46 116.92 1xm2 n PHE 92 Ca -0.03 0.33 -0.20 0.00 1.01 0.00 0.00 57.45 58.56 1xm2 n PHE 92 Cb 0.32 -1.03 -0.09 0.00 -0.01 0.00 0.00 39.48 38.66 1xm2 n PHE 92 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1xm2 n ARG 93 N -2.22 0.55 -0.30 -1.08 0.63 -0.40 -3.53 116.66 110.30 1xm2 n ARG 93 Ca 0.01 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1xm2 n ARG 93 Cb 0.14 -1.68 0.19 0.00 0.45 0.00 0.00 32.46 31.56 1xm2 n ARG 93 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1xm2 h GLU 94 N -1.00 1.14 -2.84 -0.14 4.81 -0.29 -3.32 114.58 112.94 1xm2 h GLU 94 Ca -0.33 -0.07 -0.61 0.00 -0.13 0.00 0.00 59.36 58.22 1xm2 h GLU 94 Cb 1.20 -0.26 -0.41 0.00 0.63 0.00 0.00 28.75 29.92 1xm2 h GLU 94 CO -0.20 0.75 -0.68 -1.91 -0.73 0.00 0.00 179.01 176.24 1xm2 n GLU 95 N -4.42 1.43 -1.63 1.92 2.13 0.18 -5.08 120.64 115.17 1xm2 n GLU 95 Ca 0.11 -4.15 -0.48 0.00 0.66 0.00 0.00 57.16 53.30 1xm2 n GLU 95 Cb 0.05 -2.11 -0.05 0.00 0.27 0.00 0.00 31.44 29.60 1xm2 n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1xm2 n PRO 96 N 2.12 1.71 -0.70 5.31 -0.02 -1.23 -2.05 135.00 140.14 1xm2 n PRO 96 Ca 0.23 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1xm2 n PRO 96 Cb 0.39 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1xm2 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xm2 n GLY 97 N 2.85 1.30 3.65 -1.23 0.00 -1.26 -5.04 105.19 105.46 1xm2 n GLY 97 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xm2 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 s ILE 100 N 0.72 4.55 -0.14 0.00 1.01 -0.89 -2.63 121.20 123.81 1xm2 s ILE 100 Ca -0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1xm2 s ILE 100 Cb -0.10 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1xm2 s ILE 100 CO -0.01 0.31 0.26 0.00 0.00 0.00 0.00 174.94 175.50 1xm2 s ALA 101 N 1.65 3.65 -0.04 9.38 0.00 -1.07 -1.95 121.76 133.37 1xm2 s ALA 101 Ca 0.06 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1xm2 s ALA 101 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1xm2 s ALA 101 CO 0.05 0.20 -0.20 0.08 0.00 0.00 0.00 175.76 175.90 1xm2 s VAL 102 N 0.11 1.63 -0.00 0.00 1.01 -0.27 -0.29 120.40 122.59 1xm2 s VAL 102 Ca 0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1xm2 s VAL 102 Cb -0.13 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 1xm2 s VAL 102 CO 0.04 0.46 0.08 -1.38 0.00 0.00 0.00 175.10 174.31 1xm2 s HIS 103 N -0.13 0.05 0.00 5.22 -3.43 -0.99 -2.06 115.29 113.96 1xm2 s HIS 103 Ca -0.01 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 1xm2 s HIS 103 Cb -0.11 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 1xm2 s HIS 103 CO 0.02 -0.20 0.00 -1.13 -2.00 0.00 0.00 174.74 171.43 1xm2 n SER 104 N 1.93 0.94 -0.03 7.38 3.41 -1.19 -2.50 113.62 123.57 1xm2 n SER 104 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.40 1xm2 n SER 104 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1xm2 n SER 104 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xm2 h VAL 105 N 0.00 0.04 0.00 -3.33 2.07 -1.90 -3.08 116.25 110.05 1xm2 h VAL 105 Ca 0.00 -0.99 -0.24 0.00 0.82 0.00 0.00 66.70 66.29 1xm2 h VAL 105 Cb 0.00 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1xm2 h VAL 105 CO 0.00 0.01 -1.37 0.00 0.02 0.00 0.00 177.57 176.23 1xm2 h ALA 106 N -0.99 0.61 -0.09 1.67 0.00 -1.96 -3.03 119.26 115.47 1xm2 h ALA 106 Ca -0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 1xm2 h ALA 106 Cb 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xm2 h ALA 106 CO 0.01 1.36 -0.02 0.41 0.00 0.00 0.00 179.25 181.01 1xm2 n GLY 107 N 1.45 0.42 0.00 0.00 0.00 -1.26 -4.83 105.19 100.97 1xm2 n GLY 107 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 44.97 1xm2 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xm2 n LEU 108 N -0.14 0.18 0.00 0.99 4.77 -1.26 -4.67 117.00 116.86 1xm2 n LEU 108 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1xm2 n LEU 108 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xm2 n LEU 108 CO 0.02 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1xm2 n GLY 109 N 1.17 0.10 0.29 -0.72 0.00 -1.26 -3.44 105.19 101.32 1xm2 n GLY 109 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xm2 n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xm2 h ARG 110 N 0.00 -0.38 0.11 1.61 3.08 -1.94 -0.56 114.38 116.29 1xm2 h ARG 110 Ca 0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xm2 h ARG 110 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1xm2 h ARG 110 CO 0.00 -0.26 -0.05 0.00 -1.07 0.00 0.00 179.97 178.59 1xm2 h ALA 111 N 0.42 -0.14 -0.80 0.04 0.00 -1.91 -2.61 119.26 114.26 1xm2 h ALA 111 Ca 0.06 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1xm2 h ALA 111 Cb 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1xm2 h ALA 111 CO -0.23 -0.51 0.53 -1.35 0.00 0.00 0.00 179.25 177.69 1xm2 h PRO 112 N -0.29 0.39 -0.45 0.00 0.11 -1.80 -1.96 132.00 128.01 1xm2 h PRO 112 Ca -0.01 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 1xm2 h PRO 112 Cb 0.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1xm2 h PRO 112 CO 0.02 0.26 0.06 0.28 -0.21 0.00 0.00 178.00 178.41 1xm2 h VAL 113 N 0.41 1.25 -0.22 3.15 2.07 -0.72 0.00 116.25 122.19 1xm2 h VAL 113 Ca 0.40 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1xm2 h VAL 113 Cb 0.95 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1xm2 h VAL 113 CO -0.13 0.33 -0.19 -0.07 0.02 0.00 0.00 177.57 177.53 1xm2 h LEU 114 N 0.61 0.38 -0.55 2.57 3.38 -1.19 0.70 115.31 121.22 1xm2 h LEU 114 Ca 0.13 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xm2 h LEU 114 Cb 0.41 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xm2 h LEU 114 CO 0.01 0.59 0.06 0.58 0.09 0.00 0.00 178.44 179.78 1xm2 h VAL 115 N 0.36 1.26 -0.28 1.22 2.07 -1.03 -2.45 116.25 117.40 1xm2 h VAL 115 Ca 0.06 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1xm2 h VAL 115 Cb 0.54 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xm2 h VAL 115 CO 0.04 0.37 0.14 0.00 0.02 0.00 0.00 177.57 178.14 1xm2 h ALA 116 N 0.98 0.36 -0.20 1.67 0.00 0.00 -1.93 119.26 120.13 1xm2 h ALA 116 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xm2 h ALA 116 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xm2 h ALA 116 CO 0.02 -0.10 0.14 -0.07 0.00 0.00 0.00 179.25 179.23 1xm2 h LEU 117 N 0.32 0.10 -0.12 0.00 3.38 -0.77 -0.42 115.31 117.81 1xm2 h LEU 117 Ca 0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xm2 h LEU 117 Cb 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xm2 h LEU 117 CO -0.01 0.07 -0.10 0.00 0.09 0.00 0.00 178.44 178.49 1xm2 h ALA 118 N 1.89 0.17 -0.94 1.53 0.00 -0.91 -1.19 119.26 119.81 1xm2 h ALA 118 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xm2 h ALA 118 Cb 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1xm2 h ALA 118 CO -0.01 0.01 0.60 -0.07 0.00 0.00 0.00 179.25 179.78 1xm2 h LEU 119 N -0.10 1.11 -0.16 0.00 3.38 -0.62 -0.54 115.31 118.38 1xm2 h LEU 119 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xm2 h LEU 119 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xm2 h LEU 119 CO 0.03 0.83 0.06 0.40 0.09 0.00 0.00 178.44 179.84 1xm2 h ILE 120 N 1.29 1.17 0.00 1.22 2.04 -1.04 -1.60 117.51 120.59 1xm2 h ILE 120 Ca 0.34 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xm2 h ILE 120 Cb -0.10 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xm2 h ILE 120 CO -0.07 0.16 -0.04 -0.33 0.00 0.00 0.00 178.15 177.87 1xm2 h GLU 121 N 0.10 0.00 -0.01 2.37 4.39 -0.83 -0.02 114.58 120.58 1xm2 h GLU 121 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xm2 h GLU 121 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1xm2 h GLU 121 CO -0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1xm2 n GLY 122 N -1.02 -0.82 0.00 -3.84 0.00 -0.24 -5.01 105.19 94.27 1xm2 n GLY 122 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1xm2 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xm2 n GLY 123 N 0.95 0.68 3.43 -0.02 0.00 -0.02 -5.03 105.19 105.17 1xm2 n GLY 123 Ca 0.19 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1xm2 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm2 s LYS 125 N -0.91 1.54 0.30 1.61 1.02 -1.26 -5.01 119.74 117.04 1xm2 s LYS 125 Ca 0.00 -1.57 -0.00 0.00 0.02 0.00 0.00 55.97 54.42 1xm2 s LYS 125 Cb 0.00 -1.82 0.51 0.00 -0.52 0.00 0.00 37.83 35.99 1xm2 s LYS 125 CO 0.00 0.38 1.94 0.10 -0.92 0.00 0.00 175.35 176.85 1xm2 h TYR 126 N 3.03 1.03 0.00 3.18 -0.00 -1.97 -0.09 116.97 122.16 1xm2 h TYR 126 Ca -0.45 0.03 -0.04 0.00 0.00 0.00 0.00 58.73 58.27 1xm2 h TYR 126 Cb 1.22 -0.34 -0.01 0.00 0.00 0.00 0.00 36.73 37.60 1xm2 h TYR 126 CO 0.71 0.58 -0.17 0.93 -0.00 0.00 0.00 178.16 180.22 1xm2 h GLU 127 N 1.05 0.00 0.17 0.10 3.07 -2.00 -1.66 114.58 115.31 1xm2 h GLU 127 Ca 0.35 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.91 1xm2 h GLU 127 Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1xm2 h GLU 127 CO -0.11 0.17 -1.32 -0.44 -1.40 0.00 0.00 179.01 175.91 1xm2 h ASP 128 N 0.00 0.71 0.50 1.42 5.19 -1.54 -3.05 116.42 119.65 1xm2 h ASP 128 Ca -0.00 -0.72 -0.10 0.00 -0.62 0.00 0.00 57.03 55.59 1xm2 h ASP 128 Cb 0.68 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1xm2 h ASP 128 CO 0.02 1.55 -0.49 0.00 -3.12 0.00 0.00 179.24 177.20 1xm2 h ALA 129 N 0.36 1.18 -0.07 3.45 0.00 -0.73 -0.17 119.26 123.28 1xm2 h ALA 129 Ca -0.19 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 1xm2 h ALA 129 Cb 2.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1xm2 h ALA 129 CO 0.24 0.61 -0.56 0.28 0.00 0.00 0.00 179.25 179.82 1xm2 h VAL 130 N 0.00 1.38 -0.07 0.00 2.07 -1.38 -2.90 116.25 115.35 1xm2 h VAL 130 Ca -0.00 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 1xm2 h VAL 130 Cb 0.87 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1xm2 h VAL 130 CO 0.06 0.57 -0.06 1.56 0.02 0.00 0.00 177.57 179.73 1xm2 h GLN 131 N 0.08 0.17 -0.92 1.57 1.08 -1.47 -1.63 115.11 113.98 1xm2 h GLN 131 Ca -0.05 -0.08 0.22 0.00 -1.45 0.00 0.00 58.65 57.29 1xm2 h GLN 131 Cb 1.22 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.53 1xm2 h GLN 131 CO 0.11 0.58 0.45 0.35 -0.95 0.00 0.00 178.83 179.37 1xm2 h PHE 132 N -0.24 0.75 0.03 2.96 3.57 -1.11 0.11 116.94 123.01 1xm2 h PHE 132 Ca 0.01 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 1xm2 h PHE 132 Cb 0.54 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.11 1xm2 h PHE 132 CO 0.08 0.00 -0.63 0.82 -2.23 0.00 0.00 178.31 176.35 1xm2 h ILE 133 N 0.47 1.46 0.00 1.41 2.04 -1.43 -3.16 117.51 118.29 1xm2 h ILE 133 Ca 0.57 -2.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 1xm2 h ILE 133 Cb 1.06 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1xm2 h ILE 133 CO -0.50 0.63 -0.01 0.03 0.00 0.00 0.00 178.15 178.30 1xm2 h ARG 134 N -0.19 0.00 -0.07 2.37 3.08 -0.56 0.26 114.38 119.27 1xm2 h ARG 134 Ca -0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1xm2 h ARG 134 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1xm2 h ARG 134 CO 0.12 0.01 0.06 0.37 -1.07 0.00 0.00 179.97 179.46 1xm2 h GLN 135 N 0.00 0.00 0.00 0.04 -0.00 -0.96 -2.88 115.11 111.31 1xm2 h GLN 135 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 1xm2 h GLN 135 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.58 1xm2 h GLN 135 CO 0.00 0.00 -1.84 1.63 0.00 0.00 0.00 178.83 178.62 1xm2 n LYS 136 N -4.21 1.56 -3.63 1.69 4.01 0.74 -4.86 118.16 113.45 1xm2 n LYS 136 Ca -0.01 -0.03 -0.29 0.00 -0.51 0.00 0.00 58.31 57.46 1xm2 n LYS 136 Cb 0.16 -1.33 -0.14 0.00 -0.51 0.00 0.00 35.03 33.20 1xm2 n LYS 136 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1xm2 s ARG 137 N -2.46 0.59 0.00 1.97 6.06 -0.17 -4.92 118.95 120.03 1xm2 s ARG 137 Ca -0.06 -1.06 0.00 0.00 -2.50 0.00 0.00 55.73 52.11 1xm2 s ARG 137 Cb 0.05 -1.66 0.00 0.00 0.06 0.00 0.00 34.95 33.40 1xm2 s ARG 137 CO 0.54 -1.06 0.00 -2.13 -2.50 0.00 0.00 175.30 170.16 1xm2 n ARG 138 N 4.68 0.00 -2.32 5.12 3.00 -1.21 -1.86 116.66 124.07 1xm2 n ARG 138 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1xm2 n ARG 138 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.89 1xm2 n ARG 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xm2 n GLY 139 N -0.67 5.86 0.15 5.14 0.00 -1.26 -4.85 105.19 109.55 1xm2 n GLY 139 Ca 0.00 -2.54 0.10 0.00 0.00 0.00 0.00 46.02 43.57 1xm2 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 n ALA 140 N -0.28 0.98 -3.27 4.61 0.00 -0.78 -4.81 120.51 116.97 1xm2 n ALA 140 Ca 0.50 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.97 1xm2 n ALA 140 Cb 0.25 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1xm2 n ALA 140 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xm2 s PHE 141 N -3.47 -0.35 0.45 0.00 0.40 -1.22 -4.21 117.98 109.58 1xm2 s PHE 141 Ca -0.02 0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 1xm2 s PHE 141 Cb 0.05 0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.84 1xm2 s PHE 141 CO 0.17 -0.56 0.45 0.54 0.70 0.00 0.00 175.22 176.52 1xm2 s ASN 142 N -1.73 5.08 0.20 1.36 2.20 -1.26 -4.93 114.94 115.86 1xm2 s ASN 142 Ca -0.08 -0.78 -0.13 0.00 -0.94 0.00 0.00 52.86 50.93 1xm2 s ASN 142 Cb -0.02 -0.37 0.23 0.00 -2.00 0.00 0.00 41.25 39.10 1xm2 s ASN 142 CO 0.01 -0.80 1.65 0.28 -2.94 0.00 0.00 177.10 175.31 1xm2 h SER 143 N 0.85 -0.38 -0.11 3.54 0.02 -2.01 -0.44 113.55 115.02 1xm2 h SER 143 Ca -0.39 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1xm2 h SER 143 Cb 1.28 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 1xm2 h SER 143 CO 0.54 -0.14 0.07 0.50 -1.14 0.00 0.00 176.83 176.66 1xm2 h LYS 144 N 0.06 0.15 -0.71 3.45 3.64 -1.95 -1.07 116.57 120.12 1xm2 h LYS 144 Ca 0.29 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1xm2 h LYS 144 Cb 0.45 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1xm2 h LYS 144 CO -0.54 0.11 0.38 1.96 -2.27 0.00 0.00 179.45 179.10 1xm2 h GLN 145 N 0.13 0.99 -0.73 1.90 4.20 -1.71 -1.00 115.11 118.90 1xm2 h GLN 145 Ca 0.04 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1xm2 h GLN 145 Cb 0.00 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1xm2 h GLN 145 CO -0.01 0.73 0.23 -0.07 -0.67 0.00 0.00 178.83 179.05 1xm2 h LEU 146 N 0.99 1.05 -0.82 1.46 3.38 -0.65 -1.41 115.31 119.32 1xm2 h LEU 146 Ca 0.25 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1xm2 h LEU 146 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xm2 h LEU 146 CO -0.04 0.97 -0.06 0.25 0.09 0.00 0.00 178.44 179.65 1xm2 h LEU 147 N 1.08 0.80 -0.23 1.67 5.85 -0.36 -0.64 115.31 123.49 1xm2 h LEU 147 Ca 0.24 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xm2 h LEU 147 Cb 0.29 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xm2 h LEU 147 CO -0.01 0.90 0.10 0.22 -0.34 0.00 0.00 178.44 179.31 1xm2 h TYR 148 N 0.75 0.34 -0.02 1.25 3.20 -0.75 -1.61 116.97 120.12 1xm2 h TYR 148 Ca 0.13 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1xm2 h TYR 148 Cb 0.54 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1xm2 h TYR 148 CO 0.03 0.36 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.58 1xm2 h LEU 149 N 0.22 0.04 -0.71 2.82 3.38 -1.02 -1.51 115.31 118.53 1xm2 h LEU 149 Ca 0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1xm2 h LEU 149 Cb 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xm2 h LEU 149 CO -0.01 0.31 -0.27 -0.08 0.09 0.00 0.00 178.44 178.48 1xm2 h GLU 150 N 0.04 0.69 -0.01 1.13 4.81 -0.59 -3.13 114.58 117.51 1xm2 h GLU 150 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1xm2 h GLU 150 Cb 0.49 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1xm2 h GLU 150 CO 0.04 0.89 -0.19 1.63 -0.73 0.00 0.00 179.01 180.65 1xm2 n LYS 151 N -4.09 1.37 -2.20 1.92 5.02 -0.65 -4.93 118.16 114.59 1xm2 n LYS 151 Ca -0.00 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 54.93 1xm2 n LYS 151 Cb 0.45 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1xm2 n LYS 151 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1xm2 s TYR 152 N -2.28 3.26 -0.24 2.13 5.04 -0.60 -5.02 117.35 119.64 1xm2 s TYR 152 Ca 0.28 1.10 -0.03 0.00 -2.44 0.00 0.00 57.07 55.97 1xm2 s TYR 152 Cb 0.20 -3.63 0.01 0.00 0.35 0.00 0.00 41.96 38.88 1xm2 s TYR 152 CO 0.44 -2.09 -0.04 1.03 -1.34 0.00 0.00 175.55 173.56 1xm2 s ARG 153 N 0.48 3.10 0.78 4.97 0.52 -1.26 -5.03 118.95 122.51 1xm2 s ARG 153 Ca 0.60 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.91 1xm2 s ARG 153 Cb -0.36 -3.04 0.09 0.00 0.52 0.00 0.00 34.95 32.16 1xm2 s ARG 153 CO 0.34 -0.32 1.12 -1.25 0.02 0.00 0.00 175.30 175.21 1xm2 s PRO 154 N 1.41 1.85 0.00 3.54 0.04 -1.26 -5.17 135.00 135.41 1xm2 s PRO 154 Ca 0.03 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1xm2 s PRO 154 Cb -0.16 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1xm2 s PRO 154 CO -0.03 -1.55 0.00 1.17 0.04 0.00 0.00 177.00 176.63