#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b39 n GLU 2 N 0.00 0.91 -0.07 3.17 0.00 -1.26 -3.17 120.64 120.22 1b39 n GLU 2 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 57.16 56.97 1b39 n GLU 2 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.00 1b39 n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1b39 n ASN 3 N -0.87 0.73 -4.01 -1.84 4.13 -1.26 -4.79 115.26 107.36 1b39 n ASN 3 Ca 0.19 -2.01 -0.18 0.00 1.68 0.00 0.00 54.58 54.26 1b39 n ASN 3 Cb 0.21 -0.12 -0.15 0.00 -1.54 0.00 0.00 39.78 38.19 1b39 n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1b39 s PHE 4 N -1.79 0.74 -0.21 3.10 0.08 -1.19 -1.77 117.98 116.94 1b39 s PHE 4 Ca 0.08 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 1b39 s PHE 4 Cb 0.04 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1b39 s PHE 4 CO 0.05 -0.02 0.11 -1.14 -0.10 0.00 0.00 175.22 174.13 1b39 s GLN 5 N -0.17 4.04 -0.10 0.44 0.74 -0.86 -4.92 119.66 118.83 1b39 s GLN 5 Ca 0.03 -0.30 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 1b39 s GLN 5 Cb -0.03 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 1b39 s GLN 5 CO -0.00 0.18 1.09 0.15 -0.55 0.00 0.00 175.29 176.15 1b39 s LYS 6 N 0.68 4.37 -0.18 1.67 1.02 -1.26 -1.54 119.74 124.51 1b39 s LYS 6 Ca 0.06 1.50 -0.06 0.00 0.02 0.00 0.00 55.97 57.49 1b39 s LYS 6 Cb -0.13 -3.57 -0.22 0.00 -0.52 0.00 0.00 37.83 33.40 1b39 s LYS 6 CO 0.01 -0.41 0.12 0.28 -0.92 0.00 0.00 175.35 174.43 1b39 n VAL 7 N 4.68 1.65 -3.61 3.17 0.31 -0.33 -5.00 118.33 119.21 1b39 n VAL 7 Ca 0.10 -0.56 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 1b39 n VAL 7 Cb 0.47 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1b39 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1b39 s GLU 8 N -2.53 0.46 -0.62 5.55 -1.05 -1.17 -4.98 118.70 114.36 1b39 s GLU 8 Ca -0.28 0.24 -0.27 0.00 -0.15 0.00 0.00 54.97 54.50 1b39 s GLU 8 Cb 0.08 0.22 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1b39 s GLU 8 CO 0.68 -0.12 1.52 0.21 0.95 0.00 0.00 175.26 178.50 1b39 s LYS 9 N -0.67 3.06 -0.01 -4.83 2.20 -1.26 0.22 119.74 118.45 1b39 s LYS 9 Ca 0.01 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.72 1b39 s LYS 9 Cb -0.02 -4.22 -0.13 0.00 -1.51 0.00 0.00 37.83 31.95 1b39 s LYS 9 CO -0.03 -2.24 0.96 0.82 -0.36 0.00 0.00 175.35 174.50 1b39 h ILE 10 N 6.44 0.14 -1.43 5.43 2.04 -0.80 -3.47 117.51 125.86 1b39 h ILE 10 Ca -0.27 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1b39 h ILE 10 Cb 1.10 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1b39 h ILE 10 CO 1.22 0.03 0.00 0.61 0.00 0.00 0.00 178.15 180.00 1b39 n GLY 11 N -0.21 1.79 3.18 5.37 0.00 -0.82 -4.99 105.19 109.51 1b39 n GLY 11 Ca -0.10 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1b39 n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b39 s GLU 12 N -1.12 0.86 0.00 1.61 -1.05 -1.26 -0.39 118.70 117.34 1b39 s GLU 12 Ca 0.00 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 1b39 s GLU 12 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.46 1b39 s GLU 12 CO 0.00 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.60 1b39 n GLY 13 N -0.06 1.33 0.41 -3.83 0.00 -0.48 -4.95 105.19 97.61 1b39 n GLY 13 Ca -0.12 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1b39 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b39 h THR 14 N 0.55 0.01 0.00 2.61 2.02 -1.92 -2.56 112.91 113.62 1b39 h THR 14 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1b39 h THR 14 Cb 0.00 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1b39 h THR 14 CO 0.00 0.00 -1.15 1.88 0.37 0.00 0.00 175.52 176.62 1b39 h TYR 15 N -0.06 0.00 0.00 3.16 0.05 -1.96 -1.72 116.97 116.44 1b39 h TYR 15 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1b39 h TYR 15 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1b39 h TYR 15 CO -0.95 0.48 0.00 0.41 -1.05 0.00 0.00 178.16 177.05 1b39 n GLY 16 N 1.33 -0.62 3.26 3.88 0.00 -1.18 -4.44 105.19 107.42 1b39 n GLY 16 Ca -0.06 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1b39 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b39 s VAL 17 N -3.58 1.88 -0.22 1.61 0.11 -0.85 -1.38 120.40 117.97 1b39 s VAL 17 Ca 0.00 -1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 57.98 1b39 s VAL 17 Cb 0.00 -1.58 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1b39 s VAL 17 CO 0.00 0.53 0.05 -0.69 -3.33 0.00 0.00 175.10 171.66 1b39 s VAL 18 N -0.37 4.32 0.19 2.04 1.01 0.47 -0.38 120.40 127.68 1b39 s VAL 18 Ca 0.04 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1b39 s VAL 18 Cb -0.11 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1b39 s VAL 18 CO 0.01 0.39 -0.13 -0.31 0.00 0.00 0.00 175.10 175.06 1b39 s TYR 19 N 1.14 2.54 0.07 5.22 1.51 -0.16 -0.08 117.35 127.59 1b39 s TYR 19 Ca 0.04 -0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 55.60 1b39 s TYR 19 Cb -0.14 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 1b39 s TYR 19 CO 0.03 0.52 0.73 0.21 -1.11 0.00 0.00 175.55 175.92 1b39 s LYS 20 N -2.83 4.47 0.23 -0.62 2.20 0.13 -0.81 119.74 122.51 1b39 s LYS 20 Ca 0.24 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.77 1b39 s LYS 20 Cb -0.08 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1b39 s LYS 20 CO 0.14 0.40 0.39 0.00 -0.36 0.00 0.00 175.35 175.91 1b39 s ALA 21 N -0.44 0.04 -0.08 3.13 0.00 0.23 -1.19 121.76 123.45 1b39 s ALA 21 Ca 0.36 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1b39 s ALA 21 Cb -0.21 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1b39 s ALA 21 CO 0.23 -0.78 -0.24 0.50 0.00 0.00 0.00 175.76 175.47 1b39 s ARG 22 N -4.03 2.79 -0.01 0.00 3.52 -0.59 -0.16 118.95 120.46 1b39 s ARG 22 Ca 0.25 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 1b39 s ARG 22 Cb 0.01 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 31.14 1b39 s ARG 22 CO 0.08 0.24 1.83 1.21 -0.81 0.00 0.00 175.30 177.85 1b39 s ASN 23 N 0.17 6.53 0.51 -2.12 3.84 0.60 -2.04 114.94 122.43 1b39 s ASN 23 Ca -0.13 2.45 0.33 0.00 0.21 0.00 0.00 52.86 55.72 1b39 s ASN 23 Cb -0.16 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.44 1b39 s ASN 23 CO 0.07 -1.01 1.98 0.11 -2.79 0.00 0.00 177.10 175.45 1b39 h LYS 24 N 10.20 0.00 0.00 0.43 1.57 -1.69 -0.19 116.57 126.90 1b39 h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1b39 h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1b39 h LYS 24 CO 0.95 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 179.72 1b39 n LEU 25 N -2.91 1.77 -0.17 2.94 7.94 -1.26 -4.72 117.00 120.59 1b39 n LEU 25 Ca 0.00 0.03 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 1b39 n LEU 25 Cb 0.25 -0.04 0.02 0.00 0.53 0.00 0.00 43.42 44.18 1b39 n LEU 25 CO 0.24 -0.04 0.67 0.74 -1.11 0.00 0.00 177.39 177.90 1b39 h THR 26 N 0.00 0.27 0.00 1.96 2.02 -1.97 -3.46 112.91 111.74 1b39 h THR 26 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1b39 h THR 26 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1b39 h THR 26 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1b39 n GLY 27 N -1.42 0.55 3.76 2.16 0.00 -0.08 -5.05 105.19 105.11 1b39 n GLY 27 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1b39 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b39 n GLU 28 N -2.00 2.69 -3.64 1.61 2.13 -1.26 -4.62 120.64 115.55 1b39 n GLU 28 Ca 0.00 0.95 -0.36 0.00 0.66 0.00 0.00 57.16 58.41 1b39 n GLU 28 Cb 0.00 -2.71 -0.09 0.00 0.27 0.00 0.00 31.44 28.91 1b39 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b39 s VAL 29 N -0.52 5.35 0.17 6.31 1.01 -1.26 -0.29 120.40 131.17 1b39 s VAL 29 Ca 0.59 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 1b39 s VAL 29 Cb -0.49 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1b39 s VAL 29 CO 0.56 0.35 0.08 0.68 0.00 0.00 0.00 175.10 176.76 1b39 s VAL 30 N 1.00 0.18 -0.21 2.92 -7.23 0.77 -4.25 120.40 113.58 1b39 s VAL 30 Ca 0.09 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1b39 s VAL 30 Cb -0.13 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1b39 s VAL 30 CO 0.04 -0.27 0.05 0.00 -0.31 0.00 0.00 175.10 174.61 1b39 s ALA 31 N -4.01 3.23 -0.33 1.32 0.00 -0.90 0.78 121.76 121.84 1b39 s ALA 31 Ca 0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1b39 s ALA 31 Cb 0.07 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.31 1b39 s ALA 31 CO 0.06 -0.10 0.08 -1.17 0.00 0.00 0.00 175.76 174.64 1b39 s LEU 32 N 0.90 4.25 -0.21 0.00 0.20 0.01 -0.39 118.68 123.43 1b39 s LEU 32 Ca 0.03 -1.21 -0.15 0.00 0.69 0.00 0.00 54.13 53.49 1b39 s LEU 32 Cb -0.14 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1b39 s LEU 32 CO 0.02 -0.32 0.37 -0.75 -0.29 0.00 0.00 176.35 175.38 1b39 s LYS 33 N 1.36 4.14 -0.28 1.98 2.20 0.26 -0.99 119.74 128.41 1b39 s LYS 33 Ca -0.02 0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.56 1b39 s LYS 33 Cb -0.20 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1b39 s LYS 33 CO 0.02 -0.06 0.39 0.21 -0.36 0.00 0.00 175.35 175.55 1b39 s LYS 34 N 1.38 3.96 0.00 4.03 2.20 0.48 -1.35 119.74 130.45 1b39 s LYS 34 Ca 0.17 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1b39 s LYS 34 Cb -0.15 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1b39 s LYS 34 CO 0.08 -0.32 0.00 -0.89 -0.36 0.00 0.00 175.35 173.85 1b39 n ILE 35 N 5.15 0.00 -3.62 5.43 2.08 -0.73 -2.01 119.36 125.66 1b39 n ILE 35 Ca -0.08 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.14 1b39 n ILE 35 Cb 0.50 -0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.33 1b39 n ILE 35 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1b39 s VAL 44 N 0.24 0.00 0.19 1.39 1.01 -1.26 -4.25 120.40 117.73 1b39 s VAL 44 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1b39 s VAL 44 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1b39 s VAL 44 CO 0.00 0.00 1.57 -2.84 0.00 0.00 0.00 175.10 173.83 1b39 s PRO 45 N -0.09 4.21 0.16 2.72 0.02 -1.26 -4.90 135.00 135.86 1b39 s PRO 45 Ca 0.02 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 1b39 s PRO 45 Cb -0.04 -3.13 0.05 0.00 0.02 0.00 0.00 34.50 31.40 1b39 s PRO 45 CO -0.05 -0.60 1.66 1.03 -0.33 0.00 0.00 177.00 178.72 1b39 h SER 46 N 6.41 0.89 -0.77 2.53 0.87 -2.01 0.60 113.55 122.07 1b39 h SER 46 Ca -0.43 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 59.93 1b39 h SER 46 Cb 1.21 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.87 1b39 h SER 46 CO 0.89 0.91 0.46 0.00 -0.53 0.00 0.00 176.83 178.56 1b39 h THR 47 N 0.82 1.01 -0.59 2.23 1.03 -1.96 -0.67 112.91 114.78 1b39 h THR 47 Ca 0.17 -0.29 -0.06 0.00 -0.01 0.00 0.00 66.41 66.22 1b39 h THR 47 Cb 0.40 0.09 -0.03 0.00 -1.07 0.00 0.00 68.15 67.54 1b39 h THR 47 CO 0.01 0.15 0.11 0.00 -0.01 0.00 0.00 175.52 175.78 1b39 h ALA 48 N 1.38 1.09 0.05 0.00 0.00 -1.65 -1.61 119.26 118.51 1b39 h ALA 48 Ca 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b39 h ALA 48 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b39 h ALA 48 CO -0.17 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 1b39 h ILE 49 N 0.89 1.12 -0.73 0.00 1.08 0.28 -1.33 117.51 118.81 1b39 h ILE 49 Ca 0.19 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1b39 h ILE 49 Cb 0.37 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 1b39 h ILE 49 CO 0.01 0.14 0.40 0.03 -0.69 0.00 0.00 178.15 178.03 1b39 h ARG 50 N -0.31 1.03 -0.49 2.37 3.08 -0.99 -1.33 114.38 117.73 1b39 h ARG 50 Ca -0.01 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1b39 h ARG 50 Cb 0.28 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1b39 h ARG 50 CO 0.01 0.77 0.03 1.49 -1.07 0.00 0.00 179.97 181.21 1b39 h GLU 51 N 1.01 0.85 -0.92 0.04 4.57 -1.26 0.18 114.58 119.04 1b39 h GLU 51 Ca 0.26 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1b39 h GLU 51 Cb 0.05 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 1b39 h GLU 51 CO -0.04 0.87 0.61 0.82 -1.18 0.00 0.00 179.01 180.08 1b39 h ILE 52 N 0.71 1.14 -0.13 2.32 1.08 -1.14 -2.81 117.51 118.69 1b39 h ILE 52 Ca 0.14 -0.39 -0.14 0.00 -0.39 0.00 0.00 64.86 64.08 1b39 h ILE 52 Cb 0.46 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1b39 h ILE 52 CO 0.02 0.21 -0.52 0.28 -0.69 0.00 0.00 178.15 177.44 1b39 h SER 53 N 1.14 0.40 0.99 1.72 0.02 0.21 -1.67 113.55 116.36 1b39 h SER 53 Ca 0.37 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1b39 h SER 53 Cb 0.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1b39 h SER 53 CO -0.12 0.85 0.00 -0.07 -1.14 0.00 0.00 176.83 176.35 1b39 h LEU 54 N 0.28 0.00 -1.13 5.07 3.38 -1.12 -2.62 115.31 119.18 1b39 h LEU 54 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1b39 h LEU 54 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1b39 h LEU 54 CO 0.09 0.00 -0.39 -0.07 0.09 0.00 0.00 178.44 178.16 1b39 h LEU 55 N 0.00 0.00 -2.09 1.67 3.38 -1.10 -2.74 115.31 114.43 1b39 h LEU 55 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1b39 h LEU 55 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1b39 h LEU 55 CO 0.00 0.39 0.33 0.11 0.09 0.00 0.00 178.44 179.36 1b39 h LYS 56 N 0.00 0.00 -0.01 1.13 1.57 -1.50 -0.29 116.57 117.47 1b39 h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b39 h LYS 56 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1b39 h LYS 56 CO 0.05 0.00 -0.51 0.39 -0.57 0.00 0.00 179.45 178.81 1b39 n GLU 57 N -3.59 0.56 -1.77 3.15 1.02 -1.03 -4.66 120.64 114.32 1b39 n GLU 57 Ca 0.04 -0.40 -0.42 0.00 -0.02 0.00 0.00 57.16 56.36 1b39 n GLU 57 Cb 0.46 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1b39 n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1b39 n LEU 58 N -0.87 7.06 -4.84 -4.62 7.94 -0.12 -4.98 117.00 116.57 1b39 n LEU 58 Ca 0.08 -4.24 -0.37 0.00 -1.11 0.00 0.00 56.01 50.37 1b39 n LEU 58 Cb 0.37 -1.62 -0.06 0.00 0.53 0.00 0.00 43.42 42.64 1b39 n LEU 58 CO 0.32 1.26 -0.12 0.20 -1.11 0.00 0.00 177.39 177.95 1b39 s ASN 59 N 2.73 6.43 -0.10 1.96 0.02 -1.26 -4.96 114.94 119.75 1b39 s ASN 59 Ca 0.48 0.51 -0.30 0.00 -1.02 0.00 0.00 52.86 52.53 1b39 s ASN 59 Cb 0.14 -2.11 0.08 0.00 0.02 0.00 0.00 41.25 39.38 1b39 s ASN 59 CO -0.07 0.34 0.74 -2.28 0.02 0.00 0.00 177.10 175.84 1b39 s HIS 60 N -0.71 -0.63 0.32 2.20 2.46 -1.26 -5.04 115.29 112.63 1b39 s HIS 60 Ca 0.15 1.15 0.37 0.00 0.47 0.00 0.00 55.06 57.20 1b39 s HIS 60 Cb -0.13 0.40 1.92 0.00 -0.13 0.00 0.00 32.58 34.64 1b39 s HIS 60 CO 0.04 -0.53 2.12 -1.00 -2.47 0.00 0.00 174.74 172.90 1b39 h PRO 61 N 3.19 0.00 -0.37 2.88 0.13 -2.00 -0.91 132.00 134.93 1b39 h PRO 61 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1b39 h PRO 61 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b39 h PRO 61 CO 0.33 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.19 1b39 n ASN 62 N -2.84 4.11 -4.16 1.44 4.13 -1.26 -4.85 115.26 111.82 1b39 n ASN 62 Ca -0.02 -2.77 -0.33 0.00 1.68 0.00 0.00 54.58 53.15 1b39 n ASN 62 Cb 0.10 -0.52 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 1b39 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1b39 s ILE 63 N -2.40 2.09 -0.09 2.41 -1.09 -0.35 0.42 121.20 122.20 1b39 s ILE 63 Ca 0.42 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.57 1b39 s ILE 63 Cb 0.31 -1.85 -0.09 0.00 -1.58 0.00 0.00 42.46 39.26 1b39 s ILE 63 CO 0.13 0.55 2.03 0.52 -1.23 0.00 0.00 174.94 176.93 1b39 n VAL 64 N 4.19 0.58 -2.28 2.92 0.31 -0.95 -4.56 118.33 118.55 1b39 n VAL 64 Ca -0.20 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 1b39 n VAL 64 Cb 0.51 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 1b39 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1b39 s LYS 65 N 4.95 4.38 -0.60 5.55 2.20 -1.26 -4.85 119.74 130.09 1b39 s LYS 65 Ca 0.94 1.94 -0.23 0.00 -0.36 0.00 0.00 55.97 58.27 1b39 s LYS 65 Cb -0.51 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1b39 s LYS 65 CO 0.44 -0.34 0.93 -1.17 -0.36 0.00 0.00 175.35 174.84 1b39 s LEU 66 N 0.97 4.31 0.14 5.43 2.96 -1.26 -0.51 118.68 130.72 1b39 s LEU 66 Ca 0.61 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1b39 s LEU 66 Cb -0.34 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 1b39 s LEU 66 CO 0.30 -1.31 1.49 -0.07 -1.32 0.00 0.00 176.35 175.45 1b39 h LEU 67 N 11.06 1.00 -7.00 -0.68 3.38 -0.37 -3.45 115.31 119.25 1b39 h LEU 67 Ca -0.28 -0.45 0.18 0.00 0.09 0.00 0.00 57.88 57.43 1b39 h LEU 67 Cb 1.07 -0.28 -0.19 0.00 0.09 0.00 0.00 40.66 41.35 1b39 h LEU 67 CO 1.13 1.23 0.69 -1.81 0.09 0.00 0.00 178.44 179.77 1b39 s ASP 68 N -6.78 -0.23 -0.19 -0.43 1.01 -1.02 -5.00 116.67 104.02 1b39 s ASP 68 Ca -0.11 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1b39 s ASP 68 Cb 0.11 0.22 0.04 0.00 1.01 0.00 0.00 42.92 44.31 1b39 s ASP 68 CO 0.88 -0.34 -0.11 -0.69 0.21 0.00 0.00 175.17 175.12 1b39 s VAL 69 N -2.25 1.65 -0.34 -1.27 1.01 -1.26 -1.19 120.40 116.75 1b39 s VAL 69 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1b39 s VAL 69 Cb -0.01 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.76 1b39 s VAL 69 CO -0.05 0.22 0.05 -0.63 0.00 0.00 0.00 175.10 174.69 1b39 s ILE 70 N 1.40 2.68 -0.35 2.22 1.01 -0.35 -4.99 121.20 122.81 1b39 s ILE 70 Ca -0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 60.65 58.58 1b39 s ILE 70 Cb -0.16 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1b39 s ILE 70 CO -0.09 -0.42 0.21 -2.28 0.00 0.00 0.00 174.94 172.36 1b39 s HIS 71 N 1.07 3.22 -0.03 3.97 2.46 -1.26 -0.76 115.29 123.95 1b39 s HIS 71 Ca 0.03 -0.67 -0.07 0.00 0.47 0.00 0.00 55.06 54.83 1b39 s HIS 71 Cb -0.20 -2.44 0.01 0.00 -0.13 0.00 0.00 32.58 29.82 1b39 s HIS 71 CO -0.05 -0.53 0.17 0.95 -2.47 0.00 0.00 174.74 172.81 1b39 s THR 72 N 1.62 0.04 -1.60 0.89 -4.23 -0.13 -4.96 115.64 107.26 1b39 s THR 72 Ca 0.04 -0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 1b39 s THR 72 Cb -0.18 -0.36 0.06 0.00 1.34 0.00 0.00 72.50 73.36 1b39 s THR 72 CO 0.08 -0.20 0.28 -0.62 -0.54 0.00 0.00 174.62 173.62 1b39 n GLU 73 N 2.16 -1.60 -0.97 3.99 4.71 -1.26 0.12 120.64 127.79 1b39 n GLU 73 Ca -0.18 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1b39 n GLU 73 Cb 0.57 -4.15 0.00 0.00 -1.01 0.00 0.00 31.44 26.85 1b39 n GLU 73 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1b39 n ASN 74 N -2.80 -4.88 -4.56 1.62 4.13 -1.26 -4.95 115.26 102.56 1b39 n ASN 74 Ca -0.20 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.73 1b39 n ASN 74 Cb 0.63 -2.74 -0.12 0.00 -1.54 0.00 0.00 39.78 36.01 1b39 n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1b39 s LYS 75 N -1.48 2.81 -0.09 3.52 1.02 0.32 -4.22 119.74 121.62 1b39 s LYS 75 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1b39 s LYS 75 Cb 0.00 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1b39 s LYS 75 CO 0.00 0.62 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.71 1b39 s LEU 76 N -0.69 2.50 -0.11 3.17 2.96 -1.26 -0.96 118.68 124.30 1b39 s LEU 76 Ca 0.10 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1b39 s LEU 76 Cb -0.11 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.08 1b39 s LEU 76 CO 0.02 0.23 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.85 1b39 s TYR 77 N -0.03 1.64 -0.23 5.38 2.02 0.06 -1.77 117.35 124.42 1b39 s TYR 77 Ca -0.05 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.80 1b39 s TYR 77 Cb -0.14 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1b39 s TYR 77 CO 0.04 -0.47 0.05 -0.51 -1.57 0.00 0.00 175.55 173.09 1b39 s LEU 78 N 1.32 3.43 -0.34 -1.29 1.43 -0.45 -1.21 118.68 121.57 1b39 s LEU 78 Ca -0.01 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1b39 s LEU 78 Cb -0.14 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1b39 s LEU 78 CO -0.05 0.02 0.16 -0.69 0.23 0.00 0.00 176.35 176.02 1b39 s VAL 79 N 1.30 4.44 0.32 -1.59 1.01 -0.34 0.92 120.40 126.47 1b39 s VAL 79 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1b39 s VAL 79 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1b39 s VAL 79 CO 0.03 -0.08 0.16 -0.36 0.00 0.00 0.00 175.10 174.85 1b39 s PHE 80 N 1.56 2.79 0.46 5.22 0.08 0.48 0.40 117.98 128.95 1b39 s PHE 80 Ca 0.03 -0.31 -0.25 0.00 0.12 0.00 0.00 56.93 56.52 1b39 s PHE 80 Cb -0.18 -1.58 -0.08 0.00 -0.57 0.00 0.00 43.02 40.61 1b39 s PHE 80 CO 0.06 0.37 1.34 -1.91 -0.10 0.00 0.00 175.22 174.98 1b39 n GLU 81 N -1.16 1.99 -3.90 0.44 2.13 0.33 -2.13 120.64 118.35 1b39 n GLU 81 Ca -0.04 0.71 -0.34 0.00 0.66 0.00 0.00 57.16 58.15 1b39 n GLU 81 Cb 0.60 -2.51 -0.05 0.00 0.27 0.00 0.00 31.44 29.76 1b39 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b39 s PHE 82 N -1.22 3.55 0.03 4.31 2.19 -1.26 -4.46 117.98 121.12 1b39 s PHE 82 Ca 0.63 0.39 0.06 0.00 0.33 0.00 0.00 56.93 58.34 1b39 s PHE 82 Cb -0.47 -1.85 -0.02 0.00 -1.31 0.00 0.00 43.02 39.37 1b39 s PHE 82 CO 0.56 0.67 -0.17 -0.51 1.83 0.00 0.00 175.22 177.59 1b39 s LEU 83 N -1.74 2.13 0.36 6.12 1.02 -1.26 -5.00 118.68 120.31 1b39 s LEU 83 Ca 0.24 -0.44 0.19 0.00 0.02 0.00 0.00 54.13 54.15 1b39 s LEU 83 Cb -0.12 -0.82 0.26 0.00 0.02 0.00 0.00 46.19 45.52 1b39 s LEU 83 CO 0.15 0.13 1.55 0.45 0.02 0.00 0.00 176.35 178.65 1b39 h HIS 84 N 5.13 0.00 -4.01 0.29 3.86 -2.00 -3.47 115.15 114.96 1b39 h HIS 84 Ca -0.39 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.72 1b39 h HIS 84 Cb 1.16 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.49 1b39 h HIS 84 CO 0.48 0.29 -0.52 -1.14 0.86 0.00 0.00 177.93 177.90 1b39 s GLN 85 N -3.12 0.73 0.42 2.45 0.74 -1.19 -5.05 119.66 114.64 1b39 s GLN 85 Ca 0.05 -1.08 0.08 0.00 0.05 0.00 0.00 55.36 54.45 1b39 s GLN 85 Cb 0.07 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 1b39 s GLN 85 CO 0.71 -0.19 0.39 0.16 -0.55 0.00 0.00 175.29 175.81 1b39 s ASP 86 N -2.89 5.07 0.34 6.67 1.47 -1.26 -1.02 116.67 125.06 1b39 s ASP 86 Ca 0.06 -0.74 0.18 0.00 1.18 0.00 0.00 52.55 53.23 1b39 s ASP 86 Cb 0.06 -0.55 0.44 0.00 -0.34 0.00 0.00 42.92 42.54 1b39 s ASP 86 CO -0.11 -0.67 1.62 0.25 0.68 0.00 0.00 175.17 176.94 1b39 h LEU 87 N 0.99 0.00 0.68 2.11 5.85 -1.06 -2.04 115.31 121.84 1b39 h LEU 87 Ca -0.41 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1b39 h LEU 87 Cb 1.27 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.30 1b39 h LEU 87 CO 0.57 0.42 -0.33 0.50 -0.34 0.00 0.00 178.44 179.26 1b39 h LYS 88 N 0.00 -0.88 -0.95 1.25 1.63 -1.85 0.29 116.57 116.06 1b39 h LYS 88 Ca -0.00 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 59.96 1b39 h LYS 88 Cb 1.10 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.85 1b39 h LYS 88 CO 0.06 -0.55 0.59 0.87 -3.45 0.00 0.00 179.45 176.96 1b39 h LYS 89 N -1.07 0.95 -0.82 1.90 1.57 -1.89 -0.89 116.57 116.33 1b39 h LYS 89 Ca -0.09 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1b39 h LYS 89 Cb 0.73 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1b39 h LYS 89 CO 0.15 0.63 0.50 0.35 -0.57 0.00 0.00 179.45 180.51 1b39 h PHE 90 N 0.98 1.07 -0.14 -1.35 3.57 -1.08 0.21 116.94 120.21 1b39 h PHE 90 Ca 0.45 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 1b39 h PHE 90 Cb 0.38 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1b39 h PHE 90 CO -0.02 0.71 -0.02 0.52 -2.23 0.00 0.00 178.31 177.27 1b39 h MET 91 N 1.12 0.26 0.19 1.11 2.86 0.59 -1.48 114.93 119.58 1b39 h MET 91 Ca 0.29 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1b39 h MET 91 Cb -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1b39 h MET 91 CO -0.06 0.52 -0.09 -0.44 1.06 0.00 0.00 176.91 177.90 1b39 h ASP 92 N -0.03 -0.21 -0.78 1.22 3.32 -1.05 -1.40 116.42 117.49 1b39 h ASP 92 Ca 0.04 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.25 1b39 h ASP 92 Cb 0.41 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1b39 h ASP 92 CO 0.01 -0.10 0.54 0.00 -1.72 0.00 0.00 179.24 177.97 1b39 h ALA 93 N 0.50 2.46 -0.25 3.45 0.00 -0.90 -2.15 119.26 122.36 1b39 h ALA 93 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b39 h ALA 93 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b39 h ALA 93 CO 0.04 -0.69 0.00 0.43 0.00 0.00 0.00 179.25 179.03 1b39 n SER 94 N -4.40 2.99 -0.31 0.00 7.64 -0.56 -4.79 113.62 114.19 1b39 n SER 94 Ca 0.16 -1.93 -0.04 0.00 1.01 0.00 0.00 58.87 58.07 1b39 n SER 94 Cb 0.73 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1b39 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b39 h ALA 95 N 4.49 0.01 -0.80 -0.43 0.00 -0.58 1.46 119.26 123.40 1b39 h ALA 95 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1b39 h ALA 95 Cb 0.89 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 1b39 h ALA 95 CO 0.00 -0.68 0.46 1.25 0.00 0.00 0.00 179.25 180.29 1b39 h LEU 96 N -0.08 0.68 0.00 0.00 5.85 -1.87 -3.27 115.31 116.63 1b39 h LEU 96 Ca 0.28 0.04 -0.37 0.00 0.84 0.00 0.00 57.88 58.67 1b39 h LEU 96 Cb 0.57 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1b39 h LEU 96 CO -0.86 0.41 -2.40 0.35 -0.34 0.00 0.00 178.44 175.60 1b39 n THR 97 N -4.73 1.42 0.00 1.05 -2.24 -0.95 -5.13 114.28 103.70 1b39 n THR 97 Ca 0.12 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1b39 n THR 97 Cb 0.24 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1b39 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b39 n GLY 98 N 1.85 -1.55 3.69 3.38 0.00 0.49 -4.88 105.19 108.18 1b39 n GLY 98 Ca -0.35 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1b39 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b39 s ILE 99 N -3.40 4.60 0.48 -0.61 1.01 -1.26 -4.92 121.20 117.10 1b39 s ILE 99 Ca 0.00 1.88 -0.23 0.00 0.00 0.00 0.00 60.65 62.30 1b39 s ILE 99 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 1b39 s ILE 99 CO 0.00 0.01 1.12 -2.65 0.00 0.00 0.00 174.94 173.42 1b39 n PRO 100 N 4.99 1.45 -0.09 2.79 -0.02 -1.26 -4.76 135.00 138.09 1b39 n PRO 100 Ca 0.09 0.53 -0.06 0.00 -2.02 0.00 0.00 63.50 62.04 1b39 n PRO 100 Cb 0.48 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1b39 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1b39 h LEU 101 N 1.41 -0.23 -2.04 2.45 5.85 -1.99 0.15 115.31 120.91 1b39 h LEU 101 Ca -0.47 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1b39 h LEU 101 Cb 1.33 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1b39 h LEU 101 CO 0.56 -0.07 0.17 -0.65 -0.34 0.00 0.00 178.44 178.10 1b39 h PRO 102 N 0.04 0.00 0.13 5.25 0.11 -1.99 -0.06 132.00 135.48 1b39 h PRO 102 Ca 0.16 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.99 1b39 h PRO 102 Cb 0.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1b39 h PRO 102 CO -0.31 0.00 -1.23 1.25 -0.21 0.00 0.00 178.00 177.50 1b39 h LEU 103 N 0.00 0.56 -0.52 2.35 5.85 -1.33 -2.01 115.31 120.21 1b39 h LEU 103 Ca 0.10 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1b39 h LEU 103 Cb 0.43 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1b39 h LEU 103 CO -0.00 1.42 0.25 0.40 -0.34 0.00 0.00 178.44 180.17 1b39 h ILE 104 N 0.13 0.92 -0.10 4.05 2.04 -0.95 0.19 117.51 123.79 1b39 h ILE 104 Ca -0.15 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1b39 h ILE 104 Cb 1.93 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1b39 h ILE 104 CO 0.21 0.09 0.06 0.50 0.00 0.00 0.00 178.15 179.01 1b39 h LYS 105 N 0.48 0.14 -0.61 2.37 3.64 -1.05 -0.33 116.57 121.22 1b39 h LYS 105 Ca 0.24 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1b39 h LYS 105 Cb 0.18 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1b39 h LYS 105 CO -0.18 0.15 0.40 1.03 -2.27 0.00 0.00 179.45 178.58 1b39 h SER 106 N 0.10 0.68 0.13 4.20 0.87 -0.65 -2.42 113.55 116.46 1b39 h SER 106 Ca 0.04 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1b39 h SER 106 Cb 0.05 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1b39 h SER 106 CO -0.01 0.49 -0.14 1.88 -0.53 0.00 0.00 176.83 178.52 1b39 h TYR 107 N 0.81 -0.38 -0.64 2.24 0.05 -0.25 0.16 116.97 118.96 1b39 h TYR 107 Ca 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 1b39 h TYR 107 Cb -0.07 0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1b39 h TYR 107 CO -0.04 -0.22 0.38 1.25 -1.05 0.00 0.00 178.16 178.49 1b39 h LEU 108 N -0.31 0.78 -0.03 3.88 5.85 -1.00 -0.86 115.31 123.62 1b39 h LEU 108 Ca 0.01 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1b39 h LEU 108 Cb 0.30 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1b39 h LEU 108 CO -0.05 0.61 0.01 0.15 -0.34 0.00 0.00 178.44 178.83 1b39 h PHE 109 N 0.87 0.04 -0.46 1.25 3.57 -1.37 0.32 116.94 121.16 1b39 h PHE 109 Ca 0.23 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 1b39 h PHE 109 Cb -0.02 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1b39 h PHE 109 CO -0.02 0.10 -0.18 1.96 -2.23 0.00 0.00 178.31 177.94 1b39 h GLN 110 N -0.04 0.91 -0.86 1.11 4.20 -0.50 -1.79 115.11 118.14 1b39 h GLN 110 Ca 0.01 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1b39 h GLN 110 Cb 0.08 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1b39 h GLN 110 CO -0.00 1.01 0.51 -0.07 -0.67 0.00 0.00 178.83 179.61 1b39 h LEU 111 N 0.80 1.04 -1.38 1.46 3.38 -0.97 -1.12 115.31 118.52 1b39 h LEU 111 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1b39 h LEU 111 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1b39 h LEU 111 CO 0.06 0.81 0.40 -0.07 0.09 0.00 0.00 178.44 179.72 1b39 h LEU 112 N 1.19 0.71 -0.66 1.67 3.38 -0.24 -0.15 115.31 121.22 1b39 h LEU 112 Ca 0.31 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1b39 h LEU 112 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1b39 h LEU 112 CO -0.06 0.52 -0.13 1.56 0.09 0.00 0.00 178.44 180.43 1b39 h GLN 113 N 0.84 0.91 -0.13 1.13 4.20 -0.42 -0.92 115.11 120.72 1b39 h GLN 113 Ca 0.22 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1b39 h GLN 113 Cb -0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1b39 h GLN 113 CO -0.05 0.98 0.02 0.78 -0.67 0.00 0.00 178.83 179.89 1b39 h GLY 114 N 0.96 0.13 1.43 3.46 0.00 -0.84 -0.98 103.07 107.22 1b39 h GLY 114 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1b39 h GLY 114 CO 0.05 -0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.11 1b39 h LEU 115 N 0.07 0.66 -0.28 3.11 3.38 -0.88 -1.77 115.31 119.61 1b39 h LEU 115 Ca 0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1b39 h LEU 115 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1b39 h LEU 115 CO -0.08 0.66 -0.05 0.00 0.09 0.00 0.00 178.44 179.07 1b39 h ALA 116 N 1.43 0.38 0.32 1.53 0.00 -0.64 0.36 119.26 122.64 1b39 h ALA 116 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1b39 h ALA 116 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1b39 h ALA 116 CO -0.00 0.18 -0.43 0.35 0.00 0.00 0.00 179.25 179.34 1b39 h PHE 117 N 0.29 -1.19 -0.52 0.00 3.57 -0.99 -0.69 116.94 117.41 1b39 h PHE 117 Ca 0.07 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1b39 h PHE 117 Cb 0.51 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1b39 h PHE 117 CO 0.05 -0.57 -0.15 0.00 -2.23 0.00 0.00 178.31 175.41 1b39 h HIS 119 N 0.89 0.00 0.00 0.00 3.86 -0.20 0.23 115.15 119.92 1b39 h HIS 119 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1b39 h HIS 119 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1b39 h HIS 119 CO 0.05 0.26 -0.18 0.66 0.86 0.00 0.00 177.93 179.59 1b39 h SER 120 N 0.00 0.00 -0.58 2.45 4.64 -0.77 -1.13 113.55 118.15 1b39 h SER 120 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b39 h SER 120 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1b39 h SER 120 CO 0.03 0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.58 1b39 n HIS 121 N -3.36 0.78 -2.30 4.77 8.25 -0.28 -4.94 115.22 118.13 1b39 n HIS 121 Ca 0.00 -0.39 -0.14 0.00 -0.26 0.00 0.00 57.72 56.93 1b39 n HIS 121 Cb 0.39 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 1b39 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1b39 n ARG 122 N 1.25 -1.28 -4.56 -0.41 5.12 -0.43 -5.02 116.66 111.33 1b39 n ARG 122 Ca 0.20 0.65 -0.34 0.00 -1.93 0.00 0.00 57.85 56.43 1b39 n ARG 122 Cb 0.51 -4.90 -0.12 0.00 -1.16 0.00 0.00 32.46 26.79 1b39 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1b39 s VAL 123 N -2.70 3.72 0.13 1.55 1.01 -0.09 -4.99 120.40 119.02 1b39 s VAL 123 Ca 0.02 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1b39 s VAL 123 Cb -0.01 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1b39 s VAL 123 CO 0.02 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.81 1b39 s LEU 124 N -0.25 2.99 -0.15 3.92 1.43 -1.26 -3.79 118.68 121.57 1b39 s LEU 124 Ca 0.04 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1b39 s LEU 124 Cb -0.13 -1.76 -0.16 0.00 0.03 0.00 0.00 46.19 44.17 1b39 s LEU 124 CO 0.03 0.16 0.32 -0.74 0.23 0.00 0.00 176.35 176.35 1b39 h HIS 125 N 3.43 0.00 0.00 0.29 -0.00 -1.95 -3.24 115.15 113.69 1b39 h HIS 125 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1b39 h HIS 125 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1b39 h HIS 125 CO 0.61 0.82 0.00 -2.13 -0.00 0.00 0.00 177.93 177.23 1b39 n ARG 126 N -4.59 0.00 -2.14 5.26 0.63 -1.26 -4.47 116.66 110.10 1b39 n ARG 126 Ca -0.14 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.72 1b39 n ARG 126 Cb 0.42 -1.54 0.05 0.00 0.45 0.00 0.00 32.46 31.85 1b39 n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1b39 n ASP 127 N 0.00 2.57 -4.77 6.15 2.03 -1.26 -5.01 116.55 116.25 1b39 n ASP 127 Ca 0.00 -2.78 -0.41 0.00 0.52 0.00 0.00 54.79 52.12 1b39 n ASP 127 Cb 0.00 -0.41 -0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1b39 n ASP 127 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1b39 n LEU 128 N -0.53 4.77 -3.52 -2.67 4.77 -1.26 -4.92 117.00 113.65 1b39 n LEU 128 Ca 0.20 1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 57.28 1b39 n LEU 128 Cb 0.89 -1.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1b39 n LEU 128 CO 0.15 0.20 0.62 -1.59 -1.33 0.00 0.00 177.39 175.43 1b39 s LYS 129 N -1.81 0.87 0.35 3.23 -2.85 -1.26 -4.81 119.74 113.46 1b39 s LYS 129 Ca 0.55 -0.06 0.12 0.00 -1.00 0.00 0.00 55.97 55.58 1b39 s LYS 129 Cb -0.47 0.40 0.95 0.00 -2.06 0.00 0.00 37.83 36.65 1b39 s LYS 129 CO 0.61 -0.33 1.75 -1.35 0.10 0.00 0.00 175.35 176.13 1b39 h PRO 130 N 2.39 0.51 0.00 1.78 0.11 -1.94 -0.80 132.00 134.06 1b39 h PRO 130 Ca -0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1b39 h PRO 130 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1b39 h PRO 130 CO 0.34 0.34 -0.02 1.96 -0.21 0.00 0.00 178.00 180.41 1b39 h GLN 131 N 0.53 0.00 -0.49 1.05 7.50 -1.95 -2.29 115.11 119.46 1b39 h GLN 131 Ca 0.62 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.77 1b39 h GLN 131 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.83 1b39 h GLN 131 CO -0.41 0.02 0.00 0.09 -1.50 0.00 0.00 178.83 177.03 1b39 n ASN 132 N -3.23 2.59 -4.11 1.46 3.02 -0.31 -4.83 115.26 109.86 1b39 n ASN 132 Ca -0.02 -2.09 -0.33 0.00 -0.03 0.00 0.00 54.58 52.11 1b39 n ASN 132 Cb 0.15 -0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 38.82 1b39 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b39 s LEU 133 N -1.11 2.81 -0.08 3.41 1.43 -0.87 -0.52 118.68 123.76 1b39 s LEU 133 Ca 0.30 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1b39 s LEU 133 Cb 0.17 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1b39 s LEU 133 CO 0.18 -0.09 -0.07 -0.76 0.23 0.00 0.00 176.35 175.84 1b39 s LEU 134 N 1.22 3.14 0.11 1.79 1.43 -0.73 -1.15 118.68 124.49 1b39 s LEU 134 Ca -0.01 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1b39 s LEU 134 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1b39 s LEU 134 CO -0.09 0.33 -0.18 0.27 0.23 0.00 0.00 176.35 176.91 1b39 s ILE 135 N -0.64 1.58 0.01 -0.59 -4.36 -0.18 -0.11 121.20 116.90 1b39 s ILE 135 Ca 0.10 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1b39 s ILE 135 Cb -0.11 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.08 1b39 s ILE 135 CO 0.02 -0.18 0.00 -0.46 0.24 0.00 0.00 174.94 174.56 1b39 n ASN 136 N 0.91 1.51 0.23 4.36 0.23 -1.10 -3.16 115.26 118.24 1b39 n ASN 136 Ca -0.18 -1.05 0.13 0.00 -0.53 0.00 0.00 54.58 52.96 1b39 n ASN 136 Cb 0.55 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.54 1b39 n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1b39 h THR 137 N 0.74 0.00 -0.03 5.53 1.35 -1.95 -3.25 112.91 115.30 1b39 h THR 137 Ca -0.01 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1b39 h THR 137 Cb 0.03 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1b39 h THR 137 CO 0.01 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.66 1b39 n GLU 138 N -3.07 1.32 -0.23 4.72 4.71 -1.26 -4.57 120.64 122.26 1b39 n GLU 138 Ca 0.03 -0.47 0.00 0.00 -0.01 0.00 0.00 57.16 56.71 1b39 n GLU 138 Cb 0.48 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1b39 n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b39 n GLY 139 N 1.04 0.88 3.91 0.62 0.00 -1.23 -4.78 105.19 105.63 1b39 n GLY 139 Ca 0.20 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1b39 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b39 s ALA 140 N -2.00 3.54 -0.03 4.61 0.00 -1.26 -4.89 121.76 121.73 1b39 s ALA 140 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1b39 s ALA 140 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1b39 s ALA 140 CO 0.00 0.02 0.06 -1.50 0.00 0.00 0.00 175.76 174.34 1b39 s ILE 141 N -2.32 -0.02 0.05 0.00 2.07 -1.26 -2.71 121.20 117.00 1b39 s ILE 141 Ca 0.45 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.82 1b39 s ILE 141 Cb -0.10 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1b39 s ILE 141 CO 0.35 0.03 -0.13 -0.54 -1.91 0.00 0.00 174.94 172.74 1b39 s LYS 142 N 0.47 0.78 -0.17 3.50 1.02 0.84 -4.65 119.74 121.53 1b39 s LYS 142 Ca -0.04 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 54.87 1b39 s LYS 142 Cb -0.05 -0.74 -0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1b39 s LYS 142 CO -0.02 0.17 0.91 -0.51 -0.92 0.00 0.00 175.35 174.98 1b39 s LEU 143 N -1.43 4.18 0.02 3.17 1.43 0.17 -1.77 118.68 124.45 1b39 s LEU 143 Ca -0.02 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1b39 s LEU 143 Cb -0.09 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1b39 s LEU 143 CO 0.01 -0.46 0.17 0.00 0.23 0.00 0.00 176.35 176.31 1b39 s ALA 144 N 2.30 3.90 -0.70 4.21 0.00 0.32 -2.23 121.76 129.56 1b39 s ALA 144 Ca 0.41 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1b39 s ALA 144 Cb -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1b39 s ALA 144 CO 0.13 0.77 0.00 -0.25 0.00 0.00 0.00 175.76 176.40 1b39 n ASP 145 N 0.71 -3.40 -4.76 0.00 8.00 -1.26 -4.86 116.55 110.98 1b39 n ASP 145 Ca -0.09 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1b39 n ASP 145 Cb 0.52 -2.00 -0.02 0.00 -0.02 0.00 0.00 41.12 39.60 1b39 n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1b39 s PHE 146 N -2.30 2.89 0.00 1.24 2.19 -1.26 -3.17 117.98 117.56 1b39 s PHE 146 Ca 0.00 1.13 0.00 0.00 0.33 0.00 0.00 56.93 58.39 1b39 s PHE 146 Cb 0.00 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 1b39 s PHE 146 CO 0.00 -2.66 0.00 0.41 1.83 0.00 0.00 175.22 174.80 1b39 n GLY 147 N 1.40 2.76 0.36 13.12 0.00 -1.22 -4.91 105.19 116.69 1b39 n GLY 147 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1b39 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b39 h LEU 148 N 0.00 0.90 -0.51 0.99 3.38 -1.85 -2.48 115.31 115.74 1b39 h LEU 148 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1b39 h LEU 148 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1b39 h LEU 148 CO 0.00 0.64 0.31 0.00 0.09 0.00 0.00 178.44 179.48 1b39 h ALA 149 N 1.51 0.65 -0.04 1.53 0.00 -1.81 -0.91 119.26 120.19 1b39 h ALA 149 Ca 0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1b39 h ALA 149 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1b39 h ALA 149 CO -0.08 0.03 -0.62 -0.09 0.00 0.00 0.00 179.25 178.49 1b39 h ARG 150 N 0.63 0.15 0.00 0.00 2.43 -1.83 -0.19 114.38 115.57 1b39 h ARG 150 Ca 0.20 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1b39 h ARG 150 Cb -0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1b39 h ARG 150 CO -0.08 0.72 -0.28 0.00 -1.51 0.00 0.00 179.97 178.81 1b39 h ALA 151 N 1.26 0.87 0.00 2.80 0.00 -0.84 -3.40 119.26 119.95 1b39 h ALA 151 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1b39 h ALA 151 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1b39 h ALA 151 CO 0.09 0.35 -0.31 1.19 0.00 0.00 0.00 179.25 180.58 1b39 n PHE 152 N -3.25 0.00 0.00 0.00 3.72 -0.44 -4.33 117.46 113.17 1b39 n PHE 152 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1b39 n PHE 152 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 1b39 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b39 n GLY 153 N 1.04 2.69 2.98 1.37 0.00 -0.09 -5.01 105.19 108.17 1b39 n GLY 153 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 1b39 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b39 s VAL 154 N -2.00 3.09 0.89 1.61 1.01 -1.26 -4.74 120.40 119.00 1b39 s VAL 154 Ca 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 61.98 58.21 1b39 s VAL 154 Cb 0.00 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.41 1b39 s VAL 154 CO 0.00 -0.91 0.84 -2.65 0.00 0.00 0.00 175.10 172.37 1b39 n PRO 155 N 2.70 -0.22 0.37 2.72 -0.02 -1.26 -4.97 135.00 134.33 1b39 n PRO 155 Ca 0.12 -0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.45 1b39 n PRO 155 Cb 0.35 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1b39 n PRO 155 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1b39 h VAL 156 N -1.46 0.00 -3.62 -1.45 2.07 -1.99 -3.41 116.25 106.38 1b39 h VAL 156 Ca -0.44 -0.15 -0.65 0.00 0.82 0.00 0.00 66.70 66.28 1b39 h VAL 156 Cb 1.29 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.90 1b39 h VAL 156 CO 0.40 0.00 -0.11 -0.60 0.02 0.00 0.00 177.57 177.28 1b39 s ARG 157 N -4.83 3.67 0.60 1.57 6.06 -1.26 -3.25 118.95 121.50 1b39 s ARG 157 Ca -0.14 -0.17 -0.19 0.00 -2.50 0.00 0.00 55.73 52.73 1b39 s ARG 157 Cb 0.01 -3.79 -0.04 0.00 0.06 0.00 0.00 34.95 31.19 1b39 s ARG 157 CO 0.42 -0.57 1.06 0.25 -2.50 0.00 0.00 175.30 173.96 1b39 n THR 158 N 5.35 3.88 -0.20 4.11 -2.24 0.39 -4.84 114.28 120.72 1b39 n THR 158 Ca -0.06 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1b39 n THR 158 Cb 0.49 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1b39 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b39 n TYR 159 N -1.64 -0.14 0.68 4.78 9.36 -0.65 -1.25 117.16 128.30 1b39 n TYR 159 Ca 0.14 0.61 -0.03 0.00 3.32 0.00 0.00 57.90 61.94 1b39 n TYR 159 Cb 0.47 -0.59 0.02 0.00 -0.63 0.00 0.00 39.34 38.61 1b39 n TYR 159 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1b39 n THR 160 N -4.65 1.30 0.00 2.97 -2.24 -1.26 -4.80 114.28 105.60 1b39 n THR 160 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1b39 n THR 160 Cb 0.15 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1b39 n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1b39 n HIS 161 N 0.35 0.00 -1.36 4.78 8.25 -0.38 -4.99 115.22 121.87 1b39 n HIS 161 Ca 0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 1b39 n HIS 161 Cb 0.63 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.73 1b39 n HIS 161 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1b39 n GLU 162 N 0.00 0.11 -3.68 -0.41 2.13 -1.24 -4.37 120.64 113.18 1b39 n GLU 162 Ca 0.00 0.04 -0.37 0.00 0.66 0.00 0.00 57.16 57.49 1b39 n GLU 162 Cb 0.00 -1.09 -0.11 0.00 0.27 0.00 0.00 31.44 30.51 1b39 n GLU 162 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b39 s VAL 163 N -1.43 5.06 0.52 6.31 1.01 -1.26 0.15 120.40 130.76 1b39 s VAL 163 Ca 0.61 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 1b39 s VAL 163 Cb -0.72 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 1b39 s VAL 163 CO 0.60 0.31 1.24 0.52 0.00 0.00 0.00 175.10 177.78 1b39 n VAL 164 N 4.67 3.44 -2.16 2.92 0.31 -1.20 -4.85 118.33 121.46 1b39 n VAL 164 Ca -0.15 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.28 1b39 n VAL 164 Cb 0.52 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 1b39 n VAL 164 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1b39 s THR 165 N -1.31 2.84 -0.69 2.52 2.01 -1.26 -4.92 115.64 114.83 1b39 s THR 165 Ca 0.70 0.78 0.16 0.00 0.31 0.00 0.00 61.69 63.63 1b39 s THR 165 Cb -0.45 -3.47 -0.18 0.00 0.01 0.00 0.00 72.50 68.42 1b39 s THR 165 CO 0.51 0.13 0.65 0.18 -0.69 0.00 0.00 174.62 175.40 1b39 n LEU 166 N 0.39 0.69 0.24 4.42 4.77 -1.26 -4.68 117.00 121.57 1b39 n LEU 166 Ca 0.02 -0.47 0.18 0.00 -0.03 0.00 0.00 56.01 55.71 1b39 n LEU 166 Cb 0.44 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.41 1b39 n LEU 166 CO 0.55 0.17 1.15 -0.50 -1.33 0.00 0.00 177.39 177.44 1b39 h TRP 167 N 0.00 0.00 -0.44 -1.77 6.55 -1.85 -0.85 115.95 117.59 1b39 h TRP 167 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1b39 h TRP 167 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 1b39 h TRP 167 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 1b39 n TYR 168 N -3.56 0.59 -2.95 0.49 4.01 -1.26 -4.48 117.16 109.99 1b39 n TYR 168 Ca 0.00 -0.51 -0.40 0.00 -0.16 0.00 0.00 57.90 56.84 1b39 n TYR 168 Cb 0.30 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 1b39 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1b39 s ARG 169 N -1.03 4.46 0.61 -0.72 3.52 -0.33 -3.99 118.95 121.47 1b39 s ARG 169 Ca 0.29 1.02 -0.19 0.00 -0.13 0.00 0.00 55.73 56.72 1b39 s ARG 169 Cb 0.16 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1b39 s ARG 169 CO 0.20 0.01 1.22 0.00 -0.81 0.00 0.00 175.30 175.92 1b39 n ALA 170 N 3.91 0.99 -0.04 6.12 0.00 -1.26 -4.90 120.51 125.33 1b39 n ALA 170 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1b39 n ALA 170 Cb 0.51 -2.28 0.27 0.00 0.00 0.00 0.00 19.45 17.96 1b39 n ALA 170 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1b39 h PRO 171 N 0.73 0.62 -0.40 0.00 0.13 -1.95 -2.42 132.00 128.71 1b39 h PRO 171 Ca -0.50 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.46 1b39 h PRO 171 Cb 1.34 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1b39 h PRO 171 CO 0.53 0.60 0.08 1.05 -0.23 0.00 0.00 178.00 180.04 1b39 h GLU 172 N 0.60 0.60 -0.55 0.86 9.09 -1.92 -2.26 114.58 121.00 1b39 h GLU 172 Ca 0.13 -0.11 -0.10 0.00 0.05 0.00 0.00 59.36 59.33 1b39 h GLU 172 Cb 0.30 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 1b39 h GLU 172 CO 0.00 0.57 -0.05 0.82 0.05 0.00 0.00 179.01 180.40 1b39 h ILE 173 N 0.59 1.26 0.00 -1.06 2.04 -1.72 -0.17 117.51 118.46 1b39 h ILE 173 Ca 0.13 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 1b39 h ILE 173 Cb 0.25 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1b39 h ILE 173 CO -0.00 0.42 -0.21 -0.07 0.00 0.00 0.00 178.15 178.29 1b39 h LEU 174 N 0.89 0.00 -1.34 1.44 3.38 -1.18 -1.40 115.31 117.11 1b39 h LEU 174 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1b39 h LEU 174 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1b39 h LEU 174 CO 0.04 0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.96 1b39 n LEU 175 N -3.60 2.03 0.00 1.67 4.77 -0.89 -4.88 117.00 116.10 1b39 n LEU 175 Ca -0.01 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1b39 n LEU 175 Cb 0.35 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1b39 n LEU 175 CO 0.33 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1b39 n GLY 176 N 1.22 0.55 3.70 -0.72 0.00 -0.53 -1.38 105.19 108.04 1b39 n GLY 176 Ca 0.17 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1b39 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b39 h LYS 178 N 7.86 0.01 -1.66 0.00 6.56 -1.95 -3.38 116.57 124.01 1b39 h LYS 178 Ca -0.45 -0.02 -0.66 0.00 -1.06 0.00 0.00 60.65 58.46 1b39 h LYS 178 Cb 1.21 0.01 -0.36 0.00 -0.57 0.00 0.00 32.23 32.52 1b39 h LYS 178 CO 0.95 0.75 -0.00 0.66 -2.06 0.00 0.00 179.45 179.75 1b39 n TYR 179 N -3.20 3.22 -1.41 -1.35 4.01 -1.26 -5.07 117.16 112.10 1b39 n TYR 179 Ca -0.09 -2.78 -0.32 0.00 -0.16 0.00 0.00 57.90 54.55 1b39 n TYR 179 Cb 1.00 -0.55 0.08 0.00 -0.31 0.00 0.00 39.34 39.56 1b39 n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1b39 s TYR 180 N -3.76 2.39 0.00 -0.72 -0.85 -1.26 -5.05 117.35 108.11 1b39 s TYR 180 Ca 0.50 1.59 0.00 0.00 -0.52 0.00 0.00 57.07 58.64 1b39 s TYR 180 Cb 0.42 -3.20 0.00 0.00 0.38 0.00 0.00 41.96 39.56 1b39 s TYR 180 CO -0.26 -2.01 0.00 -1.13 -1.52 0.00 0.00 175.55 170.62 1b39 n SER 181 N -3.05 0.89 0.22 -0.18 3.41 -1.26 -5.00 113.62 108.65 1b39 n SER 181 Ca 0.11 -0.49 0.15 0.00 -0.26 0.00 0.00 58.87 58.38 1b39 n SER 181 Cb 0.52 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.13 1b39 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1b39 h THR 182 N 0.22 0.00 -0.11 6.66 1.35 -1.96 -2.40 112.91 116.66 1b39 h THR 182 Ca 0.00 -0.31 0.03 0.00 -0.55 0.00 0.00 66.41 65.58 1b39 h THR 182 Cb 0.00 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1b39 h THR 182 CO 0.00 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 175.37 1b39 h ALA 183 N 2.10 1.80 -0.15 6.62 0.00 -1.94 -2.36 119.26 125.33 1b39 h ALA 183 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1b39 h ALA 183 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b39 h ALA 183 CO 0.00 -0.16 -0.12 -0.39 0.00 0.00 0.00 179.25 178.58 1b39 h VAL 184 N 0.00 1.17 -0.00 0.00 -1.51 -1.82 -2.03 116.25 112.06 1b39 h VAL 184 Ca 0.05 -0.75 -0.16 0.00 -1.23 0.00 0.00 66.70 64.61 1b39 h VAL 184 Cb 0.26 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 1b39 h VAL 184 CO -0.00 0.23 -0.77 0.44 -1.23 0.00 0.00 177.57 176.24 1b39 h ASP 185 N 0.23 0.04 0.37 4.19 3.32 -1.66 -2.73 116.42 120.18 1b39 h ASP 185 Ca 0.05 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1b39 h ASP 185 Cb 0.35 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1b39 h ASP 185 CO 0.02 0.79 -0.51 0.40 -1.72 0.00 0.00 179.24 178.23 1b39 h ILE 186 N 0.02 1.36 0.33 0.35 1.08 -1.42 -1.54 117.51 117.68 1b39 h ILE 186 Ca -0.01 -1.75 -0.02 0.00 -0.39 0.00 0.00 64.86 62.69 1b39 h ILE 186 Cb 1.36 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1b39 h ILE 186 CO 0.10 0.51 -0.16 -0.25 -0.69 0.00 0.00 178.15 177.67 1b39 h TRP 187 N 0.12 -0.41 -0.31 1.37 2.91 -1.39 -1.85 115.95 116.39 1b39 h TRP 187 Ca 0.00 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1b39 h TRP 187 Cb 0.94 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 1b39 h TRP 187 CO 0.01 -0.14 0.10 0.77 -1.03 0.00 0.00 178.44 178.15 1b39 h SER 188 N -0.64 0.10 0.22 2.65 0.02 -1.39 -1.85 113.55 112.66 1b39 h SER 188 Ca -0.05 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1b39 h SER 188 Cb 0.46 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1b39 h SER 188 CO 0.07 0.09 -0.26 0.25 -1.14 0.00 0.00 176.83 175.84 1b39 h LEU 189 N 0.23 0.08 -0.56 5.07 5.85 -1.25 -0.60 115.31 124.13 1b39 h LEU 189 Ca 0.14 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1b39 h LEU 189 Cb 0.12 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1b39 h LEU 189 CO -0.15 0.35 0.37 1.23 -0.34 0.00 0.00 178.44 179.90 1b39 h GLY 190 N 0.88 0.79 1.41 3.75 0.00 -0.67 0.12 103.07 109.35 1b39 h GLY 190 Ca 0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1b39 h GLY 190 CO 0.04 0.29 -0.05 0.00 0.00 0.00 0.00 176.54 176.82 1b39 h ILE 192 N 0.66 1.29 0.31 0.00 2.04 -0.51 -2.12 117.51 119.19 1b39 h ILE 192 Ca 0.13 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1b39 h ILE 192 Cb 0.48 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1b39 h ILE 192 CO 0.02 0.50 -0.37 0.15 0.00 0.00 0.00 178.15 178.45 1b39 h PHE 193 N 0.54 -1.01 -0.63 1.37 3.57 -0.59 -0.76 116.94 119.42 1b39 h PHE 193 Ca 0.04 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.68 1b39 h PHE 193 Cb 0.94 0.40 -0.12 0.00 2.79 0.00 0.00 35.95 39.96 1b39 h PHE 193 CO 0.07 -0.51 -0.18 0.00 -2.23 0.00 0.00 178.31 175.46 1b39 h ALA 194 N -0.27 0.37 -0.50 2.41 0.00 -1.26 -2.61 119.26 117.40 1b39 h ALA 194 Ca -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1b39 h ALA 194 Cb 0.67 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1b39 h ALA 194 CO -0.10 -0.45 0.10 1.49 0.00 0.00 0.00 179.25 180.29 1b39 h GLU 195 N -0.02 0.77 -0.63 0.00 4.81 -0.90 -2.23 114.58 116.38 1b39 h GLU 195 Ca 0.30 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1b39 h GLU 195 Cb 0.48 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1b39 h GLU 195 CO -0.66 0.71 0.23 0.52 -0.73 0.00 0.00 179.01 179.07 1b39 h MET 196 N 0.74 0.93 -0.03 1.92 2.86 -0.81 0.12 114.93 120.66 1b39 h MET 196 Ca 0.16 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1b39 h MET 196 Cb 0.30 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1b39 h MET 196 CO 0.00 0.78 -0.05 0.28 1.06 0.00 0.00 176.91 178.97 1b39 h VAL 197 N 0.91 1.43 0.00 -2.22 2.07 -1.26 -3.34 116.25 113.84 1b39 h VAL 197 Ca 0.21 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1b39 h VAL 197 Cb 0.21 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1b39 h VAL 197 CO -0.02 0.36 -1.43 0.35 0.02 0.00 0.00 177.57 176.86 1b39 n THR 198 N -4.74 0.38 -1.73 2.57 -2.24 -0.86 -4.95 114.28 102.71 1b39 n THR 198 Ca -0.08 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1b39 n THR 198 Cb 0.32 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1b39 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b39 n ARG 199 N -2.51 -0.19 -3.63 -0.78 1.74 0.41 -5.00 116.66 106.71 1b39 n ARG 199 Ca -0.02 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1b39 n ARG 199 Cb 0.57 -3.89 -0.07 0.00 -1.02 0.00 0.00 32.46 28.04 1b39 n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1b39 s ARG 200 N -3.51 0.79 0.34 5.56 1.70 -1.19 -5.06 118.95 117.58 1b39 s ARG 200 Ca 0.00 0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 55.96 1b39 s ARG 200 Cb 0.00 0.37 -0.13 0.00 -0.57 0.00 0.00 34.95 34.63 1b39 s ARG 200 CO 0.00 -0.10 1.01 0.00 -1.08 0.00 0.00 175.30 175.13 1b39 n ALA 201 N 2.72 -0.05 -0.01 7.88 0.00 -1.26 -4.28 120.51 125.52 1b39 n ALA 201 Ca -0.14 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1b39 n ALA 201 Cb 0.55 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1b39 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1b39 h LEU 202 N 1.85 -0.06 -6.80 0.00 5.85 -1.91 -3.41 115.31 110.82 1b39 h LEU 202 Ca -0.41 -0.58 -0.61 0.00 0.84 0.00 0.00 57.88 57.12 1b39 h LEU 202 Cb 1.34 0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.98 1b39 h LEU 202 CO 0.59 0.62 -0.75 -0.36 -0.34 0.00 0.00 178.44 178.19 1b39 s PHE 203 N -3.13 2.35 -1.18 1.25 0.08 -1.26 -5.03 117.98 111.07 1b39 s PHE 203 Ca -0.15 -2.79 -0.07 0.00 0.12 0.00 0.00 56.93 54.04 1b39 s PHE 203 Cb -0.00 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1b39 s PHE 203 CO 0.57 -0.70 2.44 -0.35 -0.10 0.00 0.00 175.22 177.08 1b39 n PRO 204 N 2.60 2.70 -1.65 0.24 -0.04 -1.26 -4.26 135.00 133.32 1b39 n PRO 204 Ca 0.21 -1.73 -0.32 0.00 -0.04 0.00 0.00 63.50 61.62 1b39 n PRO 204 Cb 0.40 -2.58 0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1b39 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1b39 s GLY 205 N 2.93 2.03 -0.11 0.55 0.00 -1.26 -4.91 107.32 106.54 1b39 s GLY 205 Ca 0.51 0.46 0.14 0.00 0.00 0.00 0.00 44.72 45.83 1b39 s GLY 205 CO -0.04 0.81 1.31 2.09 0.00 0.00 0.00 173.10 177.26 1b39 n ASP 206 N -2.67 3.29 -3.74 1.64 5.75 -1.26 -4.73 116.55 114.83 1b39 n ASP 206 Ca 0.10 -2.69 -0.04 0.00 -0.01 0.00 0.00 54.79 52.15 1b39 n ASP 206 Cb 0.52 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 1b39 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1b39 s SER 207 N -1.75 -0.19 0.28 -1.12 1.04 -1.26 -5.01 113.70 105.70 1b39 s SER 207 Ca 0.33 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1b39 s SER 207 Cb 0.25 0.48 0.43 0.00 0.10 0.00 0.00 66.02 67.28 1b39 s SER 207 CO 0.09 -0.88 1.73 -0.33 0.98 0.00 0.00 173.24 174.83 1b39 h GLU 208 N 2.00 0.47 0.23 4.02 5.08 -1.99 0.24 114.58 124.63 1b39 h GLU 208 Ca -0.24 -0.17 -0.32 0.00 -1.00 0.00 0.00 59.36 57.62 1b39 h GLU 208 Cb 1.23 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.48 1b39 h GLU 208 CO 0.26 0.68 -1.43 0.97 -1.00 0.00 0.00 179.01 178.49 1b39 h ILE 209 N 0.42 1.32 -0.58 3.13 6.09 -1.98 -2.64 117.51 123.27 1b39 h ILE 209 Ca 0.06 -2.76 -0.03 0.00 -1.37 0.00 0.00 64.86 60.76 1b39 h ILE 209 Cb 0.65 3.01 -0.03 0.00 0.47 0.00 0.00 36.82 40.93 1b39 h ILE 209 CO 0.05 0.82 0.25 -0.78 -3.07 0.00 0.00 178.15 175.42 1b39 h ASP 210 N 0.14 0.76 0.18 2.19 3.58 -1.94 -0.33 116.42 121.00 1b39 h ASP 210 Ca -0.23 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 1b39 h ASP 210 Cb 2.12 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.98 1b39 h ASP 210 CO 0.26 0.67 -0.09 -0.61 -2.88 0.00 0.00 179.24 176.59 1b39 h GLN 211 N 0.83 -0.23 -0.60 0.28 5.75 -0.38 -1.10 115.11 119.66 1b39 h GLN 211 Ca 0.20 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.82 1b39 h GLN 211 Cb 0.13 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 1b39 h GLN 211 CO -0.02 -0.05 0.19 1.25 -2.65 0.00 0.00 178.83 177.55 1b39 h LEU 212 N -0.37 0.15 -0.45 -2.39 5.85 -1.28 -2.28 115.31 114.55 1b39 h LEU 212 Ca -0.02 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 1b39 h LEU 212 Cb 0.29 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1b39 h LEU 212 CO 0.04 0.09 -0.65 -0.26 -0.34 0.00 0.00 178.44 177.32 1b39 h PHE 213 N 0.35 0.00 -0.29 1.25 -1.00 -0.95 0.13 116.94 116.43 1b39 h PHE 213 Ca 0.31 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.98 1b39 h PHE 213 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1b39 h PHE 213 CO -0.19 0.65 -0.24 0.00 -1.61 0.00 0.00 178.31 176.92 1b39 h ARG 214 N 0.00 0.57 -0.39 1.51 3.08 -0.96 -1.62 114.38 116.57 1b39 h ARG 214 Ca -0.01 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 1b39 h ARG 214 Cb 1.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1b39 h ARG 214 CO 0.08 0.77 -0.20 0.82 -1.07 0.00 0.00 179.97 180.37 1b39 h ILE 215 N 0.50 1.28 -0.68 2.04 2.04 -1.07 -3.06 117.51 118.57 1b39 h ILE 215 Ca 0.07 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1b39 h ILE 215 Cb 0.69 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1b39 h ILE 215 CO 0.05 0.44 0.18 -0.26 0.00 0.00 0.00 178.15 178.57 1b39 h PHE 216 N 0.62 1.11 0.00 1.37 0.04 -0.41 -1.12 116.94 118.56 1b39 h PHE 216 Ca 0.08 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1b39 h PHE 216 Cb 0.75 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1b39 h PHE 216 CO 0.06 0.91 -0.15 0.00 -0.60 0.00 0.00 178.31 178.53 1b39 h ARG 217 N 1.00 0.00 0.06 1.51 3.08 -1.24 0.13 114.38 118.92 1b39 h ARG 217 Ca 0.21 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.96 1b39 h ARG 217 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1b39 h ARG 217 CO -0.00 0.15 -1.70 2.41 -1.07 0.00 0.00 179.97 179.76 1b39 n THR 218 N -3.55 1.65 0.92 2.04 -1.04 -1.04 -4.60 114.28 108.64 1b39 n THR 218 Ca -0.01 -0.34 0.10 0.00 -2.04 0.00 0.00 64.05 61.75 1b39 n THR 218 Cb 0.29 -1.88 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 1b39 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1b39 n LEU 219 N -3.96 1.78 0.00 -4.42 4.77 -0.45 -1.41 117.00 113.30 1b39 n LEU 219 Ca -0.34 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1b39 n LEU 219 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1b39 n LEU 219 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1b39 n GLY 220 N 1.36 -0.15 3.73 -0.72 0.00 0.44 -4.39 105.19 105.46 1b39 n GLY 220 Ca 0.08 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1b39 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b39 s THR 221 N -2.58 2.33 0.47 2.61 2.01 -0.50 -4.57 115.64 115.40 1b39 s THR 221 Ca 0.00 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 1b39 s THR 221 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1b39 s THR 221 CO 0.00 0.03 1.03 -2.16 -0.69 0.00 0.00 174.62 172.83 1b39 s PRO 222 N 0.65 3.89 0.17 4.92 0.04 -1.26 -4.88 135.00 138.54 1b39 s PRO 222 Ca 0.69 1.37 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1b39 s PRO 222 Cb -0.46 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1b39 s PRO 222 CO 0.36 -0.35 0.16 -0.40 0.04 0.00 0.00 177.00 176.80 1b39 n ASP 223 N -0.79 -0.40 0.31 6.66 5.68 -1.26 -4.98 116.55 121.76 1b39 n ASP 223 Ca 0.08 -2.14 0.20 0.00 -0.50 0.00 0.00 54.79 52.44 1b39 n ASP 223 Cb 0.52 0.91 1.01 0.00 -1.14 0.00 0.00 41.12 42.43 1b39 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1b39 h GLU 224 N 0.00 0.00 0.39 0.11 4.39 -1.97 -1.19 114.58 116.32 1b39 h GLU 224 Ca -0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1b39 h GLU 224 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1b39 h GLU 224 CO 0.18 0.00 -0.19 0.28 -1.16 0.00 0.00 179.01 178.12 1b39 h VAL 225 N 0.00 0.00 0.00 3.13 2.07 -2.00 -3.24 116.25 116.21 1b39 h VAL 225 Ca 0.00 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1b39 h VAL 225 Cb 0.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1b39 h VAL 225 CO 0.00 0.00 -0.12 1.62 0.02 0.00 0.00 177.57 179.09 1b39 h VAL 226 N -1.03 0.27 -1.89 2.57 3.04 -1.92 -3.41 116.25 113.87 1b39 h VAL 226 Ca -0.05 -0.94 -0.36 0.00 -1.01 0.00 0.00 66.70 64.34 1b39 h VAL 226 Cb 0.41 1.75 -0.30 0.00 -2.01 0.00 0.00 31.29 31.13 1b39 h VAL 226 CO 0.09 0.12 -0.68 0.86 -1.01 0.00 0.00 177.57 176.94 1b39 s TRP 227 N -3.54 -0.33 0.05 3.17 -0.11 -0.46 -4.46 118.94 113.26 1b39 s TRP 227 Ca 0.02 -0.86 -0.30 0.00 1.22 0.00 0.00 56.10 56.18 1b39 s TRP 227 Cb 0.09 -0.38 -0.09 0.00 -1.50 0.00 0.00 33.47 31.59 1b39 s TRP 227 CO 0.61 -0.98 1.95 -2.14 -4.62 0.00 0.00 176.95 171.77 1b39 s PRO 228 N 1.34 4.14 0.00 5.86 0.02 -1.22 -1.28 135.00 143.86 1b39 s PRO 228 Ca 0.18 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1b39 s PRO 228 Cb -0.14 -4.08 0.00 0.00 0.02 0.00 0.00 34.50 30.31 1b39 s PRO 228 CO -0.03 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 1b39 n GLY 229 N 4.50 0.36 0.18 0.52 0.00 -1.26 -4.99 105.19 104.50 1b39 n GLY 229 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1b39 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b39 h VAL 230 N 0.00 0.98 0.00 1.61 3.04 -1.50 -1.96 116.25 118.42 1b39 h VAL 230 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1b39 h VAL 230 Cb 0.00 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 1b39 h VAL 230 CO 0.00 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 176.99 1b39 n THR 231 N -4.91 0.53 -1.11 3.17 -2.24 -1.26 -1.96 114.28 106.49 1b39 n THR 231 Ca 0.02 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1b39 n THR 231 Cb 0.10 -0.96 0.15 0.00 -2.10 0.00 0.00 70.33 67.51 1b39 n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b39 n SER 232 N -1.20 2.33 -4.77 3.42 3.41 -0.74 -4.89 113.62 111.17 1b39 n SER 232 Ca 0.06 -3.15 -0.36 0.00 -0.26 0.00 0.00 58.87 55.16 1b39 n SER 232 Cb 0.07 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 1b39 n SER 232 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1b39 s MET 233 N -2.91 3.57 0.38 4.33 -1.94 -0.83 -4.94 119.30 116.97 1b39 s MET 233 Ca 0.33 1.66 0.07 0.00 -1.71 0.00 0.00 55.69 56.03 1b39 s MET 233 Cb 0.29 -2.19 0.78 0.00 2.01 0.00 0.00 34.83 35.72 1b39 s MET 233 CO 0.02 -0.68 1.99 -1.35 -0.01 0.00 0.00 175.02 174.99 1b39 h PRO 234 N 1.61 0.67 -0.38 2.03 0.11 -1.81 -2.19 132.00 132.04 1b39 h PRO 234 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1b39 h PRO 234 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1b39 h PRO 234 CO 0.59 0.44 0.00 -0.25 -0.21 0.00 0.00 178.00 178.57 1b39 n ASP 235 N -4.47 3.51 -4.76 -2.05 8.00 -0.48 -4.95 116.55 111.35 1b39 n ASP 235 Ca 0.09 -2.35 -0.40 0.00 0.71 0.00 0.00 54.79 52.83 1b39 n ASP 235 Cb 0.19 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 1b39 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1b39 s TYR 236 N -1.64 3.49 -0.08 1.24 5.04 -0.82 -4.95 117.35 119.63 1b39 s TYR 236 Ca 0.34 1.65 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1b39 s TYR 236 Cb 0.22 -3.35 0.02 0.00 0.35 0.00 0.00 41.96 39.20 1b39 s TYR 236 CO 0.16 -0.77 -0.07 0.15 -1.34 0.00 0.00 175.55 173.68 1b39 s LYS 237 N -1.46 1.25 0.65 4.97 -0.14 -1.26 -4.94 119.74 118.80 1b39 s LYS 237 Ca 0.45 -0.19 0.35 0.00 -1.36 0.00 0.00 55.97 55.21 1b39 s LYS 237 Cb -0.33 -1.27 1.90 0.00 -1.68 0.00 0.00 37.83 36.45 1b39 s LYS 237 CO 0.43 -0.16 2.11 -1.35 -0.76 0.00 0.00 175.35 175.62 1b39 h PRO 238 N 7.70 0.00 0.00 -1.68 0.11 -1.96 -0.48 132.00 135.69 1b39 h PRO 238 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1b39 h PRO 238 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1b39 h PRO 238 CO 0.41 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 1b39 n SER 239 N -3.19 0.00 -4.77 -2.05 3.41 -1.26 -4.85 113.62 100.91 1b39 n SER 239 Ca -0.01 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.28 1b39 n SER 239 Cb 0.27 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1b39 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1b39 s PHE 240 N -2.00 2.75 0.41 7.33 0.08 -0.19 -4.93 117.98 121.43 1b39 s PHE 240 Ca 0.40 1.16 -0.27 0.00 0.12 0.00 0.00 56.93 58.35 1b39 s PHE 240 Cb 0.19 -3.94 -0.09 0.00 -0.57 0.00 0.00 43.02 38.61 1b39 s PHE 240 CO 0.31 -2.79 1.41 -2.14 -0.10 0.00 0.00 175.22 171.90 1b39 s PRO 241 N -1.66 3.92 -0.50 0.24 0.02 -1.26 -4.98 135.00 130.78 1b39 s PRO 241 Ca 0.54 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.75 1b39 s PRO 241 Cb -0.45 -2.80 0.05 0.00 0.02 0.00 0.00 34.50 31.32 1b39 s PRO 241 CO 0.57 -0.61 0.66 0.15 -0.33 0.00 0.00 177.00 177.43 1b39 s LYS 242 N -2.25 3.16 0.00 5.54 1.02 -1.26 -4.78 119.74 121.16 1b39 s LYS 242 Ca 0.57 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.83 1b39 s LYS 242 Cb -0.43 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 32.77 1b39 s LYS 242 CO 0.56 -1.22 -0.17 -1.58 -0.92 0.00 0.00 175.35 172.02 1b39 s TRP 243 N 2.77 2.60 0.57 3.18 0.51 -1.26 -4.96 118.94 122.35 1b39 s TRP 243 Ca 0.17 -0.23 -0.16 0.00 -2.12 0.00 0.00 56.10 53.76 1b39 s TRP 243 Cb -0.18 -1.53 -0.05 0.00 -0.81 0.00 0.00 33.47 30.90 1b39 s TRP 243 CO 0.13 0.20 1.04 0.00 -0.51 0.00 0.00 176.95 177.82 1b39 s ALA 244 N -0.83 2.81 0.66 0.98 0.00 -1.26 -1.41 121.76 122.71 1b39 s ALA 244 Ca 0.13 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1b39 s ALA 244 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1b39 s ALA 244 CO 0.03 -0.65 1.11 0.50 0.00 0.00 0.00 175.76 176.74 1b39 s ARG 245 N -3.97 2.83 0.26 0.00 3.52 -1.26 -4.22 118.95 116.11 1b39 s ARG 245 Ca 0.63 1.38 0.07 0.00 -0.13 0.00 0.00 55.73 57.68 1b39 s ARG 245 Cb -0.15 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.25 1b39 s ARG 245 CO 0.34 -1.22 0.21 -0.65 -0.81 0.00 0.00 175.30 173.16 1b39 s GLN 246 N -4.10 2.90 0.31 5.12 -1.52 -0.50 -4.89 119.66 116.98 1b39 s GLN 246 Ca 0.67 -1.08 -0.16 0.00 -1.95 0.00 0.00 55.36 52.83 1b39 s GLN 246 Cb -0.20 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 1b39 s GLN 246 CO 0.41 0.36 0.75 -0.51 -0.25 0.00 0.00 175.29 176.05 1b39 s ASP 247 N -3.86 6.85 0.61 5.90 1.01 -1.26 -4.81 116.67 121.10 1b39 s ASP 247 Ca 0.34 1.34 0.32 0.00 0.71 0.00 0.00 52.55 55.26 1b39 s ASP 247 Cb -0.08 -2.39 1.94 0.00 1.01 0.00 0.00 42.92 43.40 1b39 s ASP 247 CO 0.25 -0.17 2.28 -0.26 0.21 0.00 0.00 175.17 177.48 1b39 h PHE 248 N 2.48 0.00 0.00 4.23 -1.00 -1.98 -1.45 116.94 119.22 1b39 h PHE 248 Ca -0.48 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.26 1b39 h PHE 248 Cb 1.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 1b39 h PHE 248 CO 0.62 0.00 -0.21 0.66 -1.61 0.00 0.00 178.31 177.77 1b39 h SER 249 N 0.00 0.00 0.93 2.17 4.64 -1.93 -1.30 113.55 118.07 1b39 h SER 249 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1b39 h SER 249 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1b39 h SER 249 CO -0.00 0.21 -1.12 0.50 -0.87 0.00 0.00 176.83 175.55 1b39 h LYS 250 N 0.00 0.00 -0.05 4.77 1.63 -1.65 -3.29 116.57 117.97 1b39 h LYS 250 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1b39 h LYS 250 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1b39 h LYS 250 CO 0.03 0.79 -0.13 0.28 -3.45 0.00 0.00 179.45 176.97 1b39 h VAL 251 N 0.00 1.43 -1.87 2.00 2.07 -1.21 -3.39 116.25 115.28 1b39 h VAL 251 Ca -0.08 -1.47 -0.51 0.00 0.82 0.00 0.00 66.70 65.47 1b39 h VAL 251 Cb 1.77 2.26 -0.41 0.00 -1.52 0.00 0.00 31.29 33.39 1b39 h VAL 251 CO 0.11 0.40 -0.98 1.33 0.02 0.00 0.00 177.57 178.45 1b39 n VAL 252 N -4.64 1.26 -0.35 2.57 0.24 -0.58 -4.99 118.33 111.84 1b39 n VAL 252 Ca -0.08 -4.68 0.01 0.00 -2.04 0.00 0.00 64.34 57.55 1b39 n VAL 252 Cb 0.37 -0.56 0.06 0.00 -1.47 0.00 0.00 33.84 32.24 1b39 n VAL 252 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1b39 n PRO 253 N -0.02 -0.18 -0.02 7.34 -0.02 -1.24 -1.48 135.00 139.38 1b39 n PRO 253 Ca 0.26 1.42 0.01 0.00 -2.02 0.00 0.00 63.50 63.17 1b39 n PRO 253 Cb 0.61 -2.11 0.34 0.00 -0.02 0.00 0.00 33.50 32.31 1b39 n PRO 253 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1b39 h PRO 254 N 0.00 0.58 -6.38 0.52 0.13 -1.93 -3.44 132.00 121.48 1b39 h PRO 254 Ca 0.35 -0.08 -0.64 0.00 -0.87 0.00 0.00 66.00 64.77 1b39 h PRO 254 Cb 0.58 -0.11 0.08 0.00 0.13 0.00 0.00 31.00 31.68 1b39 h PRO 254 CO -0.92 0.49 0.36 -0.11 -0.23 0.00 0.00 178.00 177.59 1b39 n LEU 255 N -4.37 1.89 -4.63 1.56 7.94 -0.55 -4.98 117.00 113.86 1b39 n LEU 255 Ca 0.03 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.78 1b39 n LEU 255 Cb 0.15 -1.26 0.20 0.00 0.53 0.00 0.00 43.42 43.04 1b39 n LEU 255 CO 0.37 -1.10 0.61 1.51 -1.11 0.00 0.00 177.39 177.68 1b39 s ASP 256 N 0.11 2.07 0.41 1.96 1.47 -1.26 -4.68 116.67 116.75 1b39 s ASP 256 Ca 0.73 1.15 0.14 0.00 1.18 0.00 0.00 52.55 55.76 1b39 s ASP 256 Cb -0.81 -1.80 0.87 0.00 -0.34 0.00 0.00 42.92 40.84 1b39 s ASP 256 CO 0.51 -3.47 1.90 -0.08 0.68 0.00 0.00 175.17 174.71 1b39 h GLU 257 N -2.13 0.00 0.46 2.11 4.57 -1.98 0.17 114.58 117.78 1b39 h GLU 257 Ca -0.55 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.60 1b39 h GLU 257 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1b39 h GLU 257 CO 0.55 0.29 -0.22 -0.44 -1.18 0.00 0.00 179.01 178.00 1b39 h ASP 258 N 0.00 -0.52 -0.45 1.04 3.32 -1.98 -1.79 116.42 116.03 1b39 h ASP 258 Ca -0.00 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1b39 h ASP 258 Cb 0.52 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.13 1b39 h ASP 258 CO 0.04 -0.30 -0.01 1.23 -1.72 0.00 0.00 179.24 178.48 1b39 h GLY 259 N -0.72 0.44 1.03 2.75 0.00 -1.82 0.16 103.07 104.91 1b39 h GLY 259 Ca -0.06 0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1b39 h GLY 259 CO 0.10 -0.12 -0.17 3.21 0.00 0.00 0.00 176.54 179.56 1b39 h ARG 260 N 0.10 0.87 -0.13 4.80 3.08 -0.94 -1.12 114.38 121.03 1b39 h ARG 260 Ca 0.22 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1b39 h ARG 260 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1b39 h ARG 260 CO -0.38 1.00 -0.03 1.03 -1.07 0.00 0.00 179.97 180.53 1b39 h SER 261 N 0.69 -0.11 -0.44 7.04 0.87 -1.23 0.28 113.55 120.64 1b39 h SER 261 Ca 0.10 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1b39 h SER 261 Cb 0.72 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1b39 h SER 261 CO 0.05 -0.04 0.29 0.25 -0.53 0.00 0.00 176.83 176.86 1b39 h LEU 262 N 0.01 0.50 -0.67 2.23 5.85 -0.87 -2.67 115.31 119.68 1b39 h LEU 262 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1b39 h LEU 262 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1b39 h LEU 262 CO -0.13 0.36 0.39 0.25 -0.34 0.00 0.00 178.44 178.97 1b39 h LEU 263 N 0.59 0.81 -1.04 2.25 5.85 -0.85 -1.84 115.31 121.09 1b39 h LEU 263 Ca 0.16 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1b39 h LEU 263 Cb -0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1b39 h LEU 263 CO -0.04 0.64 -0.29 0.77 -0.34 0.00 0.00 178.44 179.18 1b39 h SER 264 N 0.91 0.33 1.11 1.25 4.64 -0.20 -1.48 113.55 120.10 1b39 h SER 264 Ca 0.24 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1b39 h SER 264 Cb -0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1b39 h SER 264 CO -0.04 0.62 -0.31 1.56 -0.87 0.00 0.00 176.83 177.79 1b39 h GLN 265 N 0.29 0.00 0.00 4.77 4.20 -1.11 -2.90 115.11 120.36 1b39 h GLN 265 Ca 0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1b39 h GLN 265 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1b39 h GLN 265 CO 0.05 0.31 -0.53 0.52 -0.67 0.00 0.00 178.83 178.50 1b39 h MET 266 N 0.00 0.00 -0.86 1.46 2.86 -0.54 -2.65 114.93 115.20 1b39 h MET 266 Ca -0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1b39 h MET 266 Cb 0.94 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.45 1b39 h MET 266 CO 0.04 0.53 0.32 1.28 1.06 0.00 0.00 176.91 180.15 1b39 n LEU 267 N -3.70 5.67 -4.77 1.22 4.77 -0.63 -3.94 117.00 115.62 1b39 n LEU 267 Ca -0.01 -2.97 -0.39 0.00 -0.03 0.00 0.00 56.01 52.61 1b39 n LEU 267 Cb 0.58 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1b39 n LEU 267 CO 0.40 0.80 0.93 -1.00 -1.33 0.00 0.00 177.39 177.19 1b39 s HIS 268 N -2.65 2.95 0.22 -1.77 3.76 -1.17 -4.88 115.29 111.75 1b39 s HIS 268 Ca 0.47 1.46 -0.04 0.00 -0.15 0.00 0.00 55.06 56.79 1b39 s HIS 268 Cb 0.38 -3.59 0.21 0.00 1.11 0.00 0.00 32.58 30.69 1b39 s HIS 268 CO 0.11 -1.81 1.67 1.88 -0.85 0.00 0.00 174.74 175.74 1b39 h TYR 269 N 2.86 0.92 -3.59 1.40 0.05 -1.92 -3.41 116.97 113.27 1b39 h TYR 269 Ca -0.49 -0.17 -0.62 0.00 0.05 0.00 0.00 58.73 57.50 1b39 h TYR 269 Cb 1.24 -0.23 -0.13 0.00 1.01 0.00 0.00 36.73 38.62 1b39 h TYR 269 CO 0.54 0.90 -0.03 0.34 -1.05 0.00 0.00 178.16 178.86 1b39 s ASP 270 N -6.69 6.43 0.54 3.88 -1.08 -1.26 -4.84 116.67 113.65 1b39 s ASP 270 Ca -0.10 0.51 0.36 0.00 -0.52 0.00 0.00 52.55 52.81 1b39 s ASP 270 Cb 0.14 -2.28 1.82 0.00 -1.46 0.00 0.00 42.92 41.14 1b39 s ASP 270 CO 0.83 -0.28 2.09 1.55 0.52 0.00 0.00 175.17 179.89 1b39 h PRO 271 N 8.01 0.00 0.00 4.34 0.13 -1.95 0.30 132.00 142.83 1b39 h PRO 271 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1b39 h PRO 271 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1b39 h PRO 271 CO 0.71 0.00 -0.24 -0.91 -0.23 0.00 0.00 178.00 177.33 1b39 h ASN 272 N 0.00 0.00 0.41 1.44 4.21 -1.96 -3.18 115.58 116.50 1b39 h ASN 272 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1b39 h ASN 272 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1b39 h ASN 272 CO 0.00 0.18 -0.84 0.29 -1.29 0.00 0.00 177.43 175.77 1b39 n LYS 273 N -3.12 0.15 -1.94 0.81 4.76 -0.01 -4.96 118.16 113.85 1b39 n LYS 273 Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 1b39 n LYS 273 Cb 0.61 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1b39 n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1b39 s ARG 274 N -3.10 4.22 0.57 1.97 3.52 -0.54 -4.92 118.95 120.66 1b39 s ARG 274 Ca 0.07 2.41 -0.20 0.00 -0.13 0.00 0.00 55.73 57.89 1b39 s ARG 274 Cb 0.16 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1b39 s ARG 274 CO 0.78 -0.41 1.21 -1.50 -0.81 0.00 0.00 175.30 174.56 1b39 s ILE 275 N -0.83 2.67 0.65 4.11 2.07 -1.00 -5.00 121.20 123.86 1b39 s ILE 275 Ca 0.54 0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 60.10 1b39 s ILE 275 Cb -0.44 -3.19 -0.01 0.00 0.13 0.00 0.00 42.46 38.96 1b39 s ILE 275 CO 0.55 -0.07 1.04 -0.94 -1.91 0.00 0.00 174.94 173.61 1b39 s SER 276 N -1.52 5.84 0.20 4.50 1.04 -1.26 -4.91 113.70 117.58 1b39 s SER 276 Ca 0.75 1.23 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 1b39 s SER 276 Cb -0.31 -2.17 0.12 0.00 0.10 0.00 0.00 66.02 63.76 1b39 s SER 276 CO 0.34 -1.08 1.77 0.00 0.98 0.00 0.00 173.24 175.25 1b39 h ALA 277 N -0.44 0.92 -0.56 5.32 0.00 -1.93 -0.15 119.26 122.42 1b39 h ALA 277 Ca -0.45 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1b39 h ALA 277 Cb 1.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1b39 h ALA 277 CO 0.63 0.51 -0.00 0.87 0.00 0.00 0.00 179.25 181.26 1b39 h LYS 278 N 1.00 0.99 -0.47 0.00 1.57 -1.93 -2.10 116.57 115.64 1b39 h LYS 278 Ca 0.24 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1b39 h LYS 278 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1b39 h LYS 278 CO -0.02 0.99 -0.21 0.00 -0.57 0.00 0.00 179.45 179.63 1b39 h ALA 279 N 0.96 0.74 -0.27 3.86 0.00 -1.92 -3.14 119.26 119.48 1b39 h ALA 279 Ca 0.16 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1b39 h ALA 279 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b39 h ALA 279 CO 0.03 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.13 1b39 h ALA 280 N 0.93 2.00 0.00 0.00 0.00 -0.35 -1.24 119.26 120.60 1b39 h ALA 280 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1b39 h ALA 280 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1b39 h ALA 280 CO 0.06 -0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.05 1b39 h LEU 281 N 0.20 0.00 -1.28 0.00 3.38 -1.41 -0.15 115.31 116.06 1b39 h LEU 281 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1b39 h LEU 281 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1b39 h LEU 281 CO -0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1b39 n ALA 282 N -2.44 2.54 -1.75 1.53 0.00 -0.48 -4.86 120.51 115.05 1b39 n ALA 282 Ca -0.02 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.49 1b39 n ALA 282 Cb 0.22 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.64 1b39 n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1b39 n HIS 283 N 0.55 2.52 0.23 0.00 -0.00 -0.07 -4.90 115.22 113.55 1b39 n HIS 283 Ca 0.17 0.44 0.16 0.00 -0.00 0.00 0.00 57.72 58.50 1b39 n HIS 283 Cb 0.43 -2.42 0.83 0.00 -0.00 0.00 0.00 29.99 28.83 1b39 n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1b39 h PRO 284 N 2.03 0.00 -1.00 1.57 0.11 -1.93 -2.41 132.00 130.37 1b39 h PRO 284 Ca -0.50 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.84 1b39 h PRO 284 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1b39 h PRO 284 CO 0.60 0.00 0.64 0.35 -0.21 0.00 0.00 178.00 179.38 1b39 h PHE 285 N 0.00 0.73 -0.03 0.65 3.57 -1.90 -1.12 116.94 118.83 1b39 h PHE 285 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1b39 h PHE 285 Cb 0.35 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1b39 h PHE 285 CO 0.00 0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.39 1b39 n PHE 286 N -4.64 0.03 -0.28 0.41 3.72 -0.91 -4.23 117.46 111.57 1b39 n PHE 286 Ca 0.24 -0.01 0.05 0.00 -0.05 0.00 0.00 57.45 57.67 1b39 n PHE 286 Cb 0.77 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.50 1b39 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1b39 h GLN 287 N 0.70 0.63 -0.85 -1.08 5.75 -1.36 -1.49 115.11 117.42 1b39 h GLN 287 Ca 0.00 -0.04 -0.52 0.00 -0.15 0.00 0.00 58.65 57.94 1b39 h GLN 287 Cb 0.15 -0.14 -0.28 0.00 1.07 0.00 0.00 27.48 28.28 1b39 h GLN 287 CO 0.00 0.42 0.44 -0.40 -2.65 0.00 0.00 178.83 176.63 1b39 n ASP 288 N -4.84 5.08 -4.75 -0.69 5.75 -1.26 -5.02 116.55 110.82 1b39 n ASP 288 Ca 0.15 -3.73 -0.41 0.00 -0.01 0.00 0.00 54.79 50.79 1b39 n ASP 288 Cb 0.36 -0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 1b39 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b39 s VAL 289 N -4.00 2.71 0.26 2.12 0.11 -0.56 -5.03 120.40 116.02 1b39 s VAL 289 Ca 0.57 0.63 0.01 0.00 -2.93 0.00 0.00 61.98 60.26 1b39 s VAL 289 Cb 0.47 -3.40 -0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1b39 s VAL 289 CO 0.04 0.12 0.02 0.35 -3.33 0.00 0.00 175.10 172.29 1b39 n THR 290 N 1.84 0.00 -3.85 5.04 -2.24 -1.26 -5.09 114.28 108.72 1b39 n THR 290 Ca 0.04 -1.31 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 1b39 n THR 290 Cb 0.41 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 1b39 n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b39 s LYS 291 N -2.97 1.49 0.58 -0.78 2.20 -1.26 -4.39 119.74 114.61 1b39 s LYS 291 Ca 0.03 -2.09 -0.10 0.00 -0.36 0.00 0.00 55.97 53.44 1b39 s LYS 291 Cb 0.00 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1b39 s LYS 291 CO 0.02 -1.09 0.98 -2.14 -0.36 0.00 0.00 175.35 172.76 1b39 s PRO 292 N 0.37 3.62 -0.07 4.03 0.02 -1.26 -4.96 135.00 136.74 1b39 s PRO 292 Ca 0.15 0.66 -0.15 0.00 0.02 0.00 0.00 61.00 61.69 1b39 s PRO 292 Cb -0.23 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 1b39 s PRO 292 CO -0.04 -0.48 0.38 0.14 -0.33 0.00 0.00 177.00 176.68 1b39 s VAL 293 N -3.05 5.15 0.87 3.83 -7.23 -1.26 -4.33 120.40 114.38 1b39 s VAL 293 Ca 0.54 0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 61.36 1b39 s VAL 293 Cb -0.11 -3.70 0.11 0.00 0.56 0.00 0.00 36.38 33.24 1b39 s VAL 293 CO 0.50 0.48 1.13 -2.16 -0.31 0.00 0.00 175.10 174.75 1b39 s PRO 294 N -0.33 1.47 -0.51 4.82 0.04 -1.26 -4.98 135.00 134.25 1b39 s PRO 294 Ca 0.22 0.33 -0.15 0.00 0.04 0.00 0.00 61.00 61.44 1b39 s PRO 294 Cb -0.15 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1b39 s PRO 294 CO 0.10 -1.98 0.45 -3.38 0.04 0.00 0.00 177.00 172.23 1b39 s HIS 295 N -3.30 3.25 -0.08 0.56 -3.43 -1.26 -5.00 115.29 106.04 1b39 s HIS 295 Ca 0.63 -1.16 0.03 0.00 -0.80 0.00 0.00 55.06 53.76 1b39 s HIS 295 Cb -0.14 -3.52 0.01 0.00 -1.43 0.00 0.00 32.58 27.49 1b39 s HIS 295 CO 0.53 -0.93 -0.18 -0.51 -2.00 0.00 0.00 174.74 171.66 1b39 s LEU 296 N 1.61 1.85 -0.32 5.38 1.43 -1.26 -5.08 118.68 122.29 1b39 s LEU 296 Ca 0.03 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1b39 s LEU 296 Cb -0.27 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 44.89 1b39 s LEU 296 CO 0.04 0.10 0.10 -0.60 0.23 0.00 0.00 176.35 176.22 1b39 s ARG 297 N 0.48 2.83 0.00 1.70 3.52 -1.26 -5.11 118.95 121.11 1b39 s ARG 297 Ca -0.16 -1.04 0.27 0.00 -0.13 0.00 0.00 55.73 54.68 1b39 s ARG 297 Cb -0.16 -3.43 0.90 0.00 -1.56 0.00 0.00 34.95 30.70 1b39 s ARG 297 CO 0.06 -0.57 1.66 1.28 -0.81 0.00 0.00 175.30 176.92