#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyo s LEU 9 N 0.00 4.37 -0.06 0.00 1.43 -1.26 -5.08 118.68 118.07 1pyo s LEU 9 Ca 0.00 1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1pyo s LEU 9 Cb 0.00 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.97 1pyo s LEU 9 CO 0.00 0.11 0.12 -1.58 0.23 0.00 0.00 176.35 175.24 1pyo s GLN 10 N -1.82 0.02 -0.39 1.70 0.74 -1.26 -5.08 119.66 113.58 1pyo s GLN 10 Ca 0.38 0.44 -0.16 0.00 0.05 0.00 0.00 55.36 56.06 1pyo s GLN 10 Cb -0.16 -0.28 0.01 0.00 1.10 0.00 0.00 33.01 33.67 1pyo s GLN 10 CO 0.20 -0.26 0.40 0.08 -0.55 0.00 0.00 175.29 175.16 1pyo s VAL 11 N 1.82 5.13 0.13 1.34 1.01 -1.26 -5.04 120.40 123.53 1pyo s VAL 11 Ca -0.01 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1pyo s VAL 11 Cb -0.12 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1pyo s VAL 11 CO -0.05 -0.29 1.59 -0.75 0.00 0.00 0.00 175.10 175.60 1pyo s LYS 12 N 2.05 4.21 0.55 2.72 2.20 -1.26 -4.98 119.74 125.24 1pyo s LYS 12 Ca 0.11 2.34 -0.16 0.00 -0.36 0.00 0.00 55.97 57.89 1pyo s LYS 12 Cb -0.17 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1pyo s LYS 12 CO 0.13 -0.65 1.02 -1.25 -0.36 0.00 0.00 175.35 174.24 1pyo s PRO 13 N 1.71 3.63 0.56 4.03 0.04 -1.26 -5.05 135.00 138.65 1pyo s PRO 13 Ca 0.71 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1pyo s PRO 13 Cb -0.42 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1pyo s PRO 13 CO 0.32 -0.55 0.95 0.00 0.04 0.00 0.00 177.00 177.76 1pyo s THR 15 N -2.93 4.92 0.35 0.00 -4.23 -1.26 -4.99 115.64 107.50 1pyo s THR 15 Ca 0.54 -0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1pyo s THR 15 Cb -0.11 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 69.97 1pyo s THR 15 CO 0.46 -0.73 1.79 1.55 -0.54 0.00 0.00 174.62 177.16 1pyo h PRO 16 N 0.39 0.08 -0.38 3.99 0.13 -2.00 -2.13 132.00 132.08 1pyo h PRO 16 Ca -0.48 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1pyo h PRO 16 Cb 1.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1pyo h PRO 16 CO 0.61 0.44 -0.12 1.05 -0.23 0.00 0.00 178.00 179.76 1pyo h GLU 17 N 0.07 0.68 -0.21 0.86 9.09 -1.98 -0.90 114.58 122.19 1pyo h GLU 17 Ca 0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 59.36 59.18 1pyo h GLU 17 Cb 0.69 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 1pyo h GLU 17 CO 0.05 0.78 0.08 0.35 0.05 0.00 0.00 179.01 180.32 1pyo h PHE 18 N 0.62 0.32 -0.28 2.06 3.57 -1.79 -1.93 116.94 119.51 1pyo h PHE 18 Ca 0.11 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1pyo h PHE 18 Cb 0.57 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1pyo h PHE 18 CO 0.03 0.37 0.12 -0.92 -2.23 0.00 0.00 178.31 175.68 1pyo h TYR 19 N 0.18 0.21 -0.03 0.41 3.20 -1.18 -1.96 116.97 117.80 1pyo h TYR 19 Ca 0.07 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1pyo h TYR 19 Cb 0.19 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1pyo h TYR 19 CO -0.01 0.11 0.04 1.96 -1.64 0.00 0.00 178.16 178.61 1pyo h GLN 20 N 0.25 0.00 -0.03 1.82 1.08 -0.87 -0.94 115.11 116.43 1pyo h GLN 20 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1pyo h GLN 20 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1pyo h GLN 20 CO -0.11 0.00 -0.00 0.25 -0.95 0.00 0.00 178.83 178.02 1pyo n THR 21 N -3.96 0.00 -0.07 -0.54 -2.24 -0.75 -4.55 114.28 102.16 1pyo n THR 21 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1pyo n THR 21 Cb 0.13 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1pyo n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pyo n HIS 22 N 1.15 0.00 0.22 4.78 8.25 -0.78 -4.80 115.22 124.05 1pyo n HIS 22 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.66 1pyo n HIS 22 Cb 0.51 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.13 1pyo n HIS 22 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1pyo h PHE 23 N 0.00 0.00 0.00 4.41 -5.15 -1.43 -3.18 116.94 111.59 1pyo h PHE 23 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1pyo h PHE 23 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.20 1pyo h PHE 23 CO 0.00 0.25 -0.04 -0.56 -2.00 0.00 0.00 178.31 175.96 1pyo h GLN 24 N 0.00 0.00 -0.17 6.09 3.07 -1.87 -2.95 115.11 119.28 1pyo h GLN 24 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1pyo h GLN 24 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.16 1pyo h GLN 24 CO 0.03 0.04 -0.10 1.47 0.09 0.00 0.00 178.83 180.36 1pyo n LEU 25 N -3.17 3.32 -4.39 0.06 -0.00 -1.20 -5.02 117.00 106.59 1pyo n LEU 25 Ca 0.00 -3.39 -0.20 0.00 -0.00 0.00 0.00 56.01 52.43 1pyo n LEU 25 Cb 0.32 -0.53 -0.10 0.00 -0.00 0.00 0.00 43.42 43.10 1pyo n LEU 25 CO 0.28 0.96 -0.34 0.00 -0.00 0.00 0.00 177.39 178.29 1pyo s ALA 26 N -3.03 2.15 0.66 1.47 0.00 -1.12 -5.12 121.76 116.78 1pyo s ALA 26 Ca 0.39 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1pyo s ALA 26 Cb 0.35 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1pyo s ALA 26 CO 0.02 -0.16 1.21 0.71 0.00 0.00 0.00 175.76 177.55 1pyo s TYR 27 N -3.18 2.21 0.06 0.00 2.02 -1.26 -4.92 117.35 112.28 1pyo s TYR 27 Ca 0.29 1.55 -0.31 0.00 -0.37 0.00 0.00 57.07 58.24 1pyo s TYR 27 Cb 0.05 -3.49 -0.07 0.00 -0.40 0.00 0.00 41.96 38.05 1pyo s TYR 27 CO 0.11 -2.46 1.49 0.50 -1.57 0.00 0.00 175.55 173.62 1pyo s ARG 28 N -3.64 4.26 -0.47 -0.62 3.52 -1.26 -4.94 118.95 115.80 1pyo s ARG 28 Ca 0.76 2.13 0.06 0.00 -0.13 0.00 0.00 55.73 58.56 1pyo s ARG 28 Cb -0.30 -3.48 0.20 0.00 -1.56 0.00 0.00 34.95 29.81 1pyo s ARG 28 CO 0.40 -0.60 0.61 -0.11 -0.81 0.00 0.00 175.30 174.79 1pyo n LEU 29 N 5.01 -2.13 0.00 -0.88 0.00 -1.26 -4.82 117.00 112.92 1pyo n LEU 29 Ca 0.14 -3.59 0.00 0.00 0.00 0.00 0.00 56.01 52.56 1pyo n LEU 29 Cb 0.42 0.69 0.00 0.00 0.00 0.00 0.00 43.42 44.53 1pyo n LEU 29 CO 0.60 1.94 0.01 0.00 0.00 0.00 0.00 177.39 179.93 1pyo n GLN 30 N 2.58 0.11 -0.89 1.96 1.13 -1.26 -5.10 117.38 115.91 1pyo n GLN 30 Ca 0.21 -0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.94 1pyo n GLN 30 Cb 0.54 -0.34 0.14 0.00 0.11 0.00 0.00 30.24 30.70 1pyo n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pyo s SER 31 N -0.02 3.37 -0.20 1.08 1.04 -1.26 -4.96 113.70 112.75 1pyo s SER 31 Ca 0.00 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1pyo s SER 31 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1pyo s SER 31 CO 0.00 -2.79 -0.06 -0.13 0.98 0.00 0.00 173.24 171.24 1pyo s ARG 32 N -4.74 1.64 0.91 4.02 1.81 -1.26 -2.57 118.95 118.76 1pyo s ARG 32 Ca 0.65 -0.78 -0.12 0.00 -1.72 0.00 0.00 55.73 53.76 1pyo s ARG 32 Cb -0.21 -2.35 0.14 0.00 -0.45 0.00 0.00 34.95 32.08 1pyo s ARG 32 CO 0.58 -0.50 1.10 -1.25 -0.68 0.00 0.00 175.30 174.54 1pyo s PRO 33 N 1.49 1.15 0.56 3.54 0.04 -1.26 -5.02 135.00 135.49 1pyo s PRO 33 Ca -0.02 0.66 0.32 0.00 0.04 0.00 0.00 61.00 62.00 1pyo s PRO 33 Cb -0.17 -1.81 1.64 0.00 0.04 0.00 0.00 34.50 34.21 1pyo s PRO 33 CO -0.07 -2.28 2.12 0.00 0.04 0.00 0.00 177.00 176.81 1pyo h ARG 34 N -1.57 0.00 0.00 4.56 2.47 -0.45 -3.41 114.38 115.98 1pyo h ARG 34 Ca -0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1pyo h ARG 34 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1pyo h ARG 34 CO 0.57 0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1pyo n GLY 35 N -0.63 -0.34 3.87 0.04 0.00 -1.26 -2.34 105.19 104.53 1pyo n GLY 35 Ca -0.02 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 1pyo n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyo s LEU 36 N 0.00 4.28 -0.01 0.99 1.43 -1.25 -1.29 118.68 122.84 1pyo s LEU 36 Ca 0.00 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 1pyo s LEU 36 Cb 0.00 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1pyo s LEU 36 CO 0.00 0.07 -0.15 0.00 0.23 0.00 0.00 176.35 176.50 1pyo s ALA 37 N -1.57 1.24 -0.09 4.21 0.00 -0.14 -2.33 121.76 123.07 1pyo s ALA 37 Ca 0.39 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1pyo s ALA 37 Cb -0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1pyo s ALA 37 CO 0.20 0.30 -0.24 -1.17 0.00 0.00 0.00 175.76 174.85 1pyo s LEU 38 N -0.40 2.08 -0.23 0.00 2.96 0.20 0.59 118.68 123.88 1pyo s LEU 38 Ca 0.06 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1pyo s LEU 38 Cb -0.06 -1.40 0.03 0.00 0.50 0.00 0.00 46.19 45.26 1pyo s LEU 38 CO -0.00 0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.40 1pyo s VAL 39 N 0.28 2.53 -0.24 1.68 1.01 0.14 -0.71 120.40 125.10 1pyo s VAL 39 Ca -0.17 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1pyo s VAL 39 Cb -0.17 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1pyo s VAL 39 CO 0.08 0.24 -0.08 -0.22 0.00 0.00 0.00 175.10 175.12 1pyo s LEU 40 N 1.27 3.13 -0.09 3.92 1.98 -0.35 -1.42 118.68 127.12 1pyo s LEU 40 Ca -0.00 -0.94 0.03 0.00 -2.89 0.00 0.00 54.13 50.32 1pyo s LEU 40 Cb -0.16 -1.63 0.01 0.00 0.66 0.00 0.00 46.19 45.07 1pyo s LEU 40 CO -0.07 -0.13 -0.18 -0.44 -1.89 0.00 0.00 176.35 173.64 1pyo s SER 41 N 1.28 2.52 -0.18 3.68 0.01 -0.29 -0.75 113.70 119.97 1pyo s SER 41 Ca -0.01 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 1pyo s SER 41 Cb -0.17 -1.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 1pyo s SER 41 CO -0.05 0.08 -0.09 0.20 0.41 0.00 0.00 173.24 173.79 1pyo s ASN 42 N 0.64 4.09 0.00 2.44 0.01 -0.16 -0.83 114.94 121.13 1pyo s ASN 42 Ca -0.14 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1pyo s ASN 42 Cb -0.16 -1.67 0.00 0.00 0.41 0.00 0.00 41.25 39.83 1pyo s ASN 42 CO 0.04 0.05 0.00 1.33 -1.51 0.00 0.00 177.10 177.01 1pyo n VAL 43 N 4.31 0.00 -3.87 1.60 0.24 -1.26 -4.40 118.33 114.95 1pyo n VAL 43 Ca -0.18 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.76 1pyo n VAL 43 Cb 0.51 -0.71 -0.14 0.00 -1.47 0.00 0.00 33.84 32.04 1pyo n VAL 43 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1pyo s HIS 44 N -1.77 3.12 -0.08 6.34 5.65 -1.26 -1.54 115.29 125.76 1pyo s HIS 44 Ca 0.00 -1.35 -0.02 0.00 0.25 0.00 0.00 55.06 53.93 1pyo s HIS 44 Cb 0.00 -2.15 -0.04 0.00 -1.18 0.00 0.00 32.58 29.22 1pyo s HIS 44 CO 0.00 -0.68 0.04 -0.06 -0.65 0.00 0.00 174.74 173.39 1pyo s PHE 45 N 1.39 3.26 -0.02 3.88 0.40 -1.26 -4.78 117.98 120.84 1pyo s PHE 45 Ca 0.01 0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1pyo s PHE 45 Cb -0.17 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.62 1pyo s PHE 45 CO -0.01 0.53 1.03 0.25 0.70 0.00 0.00 175.22 177.72 1pyo n THR 46 N 1.93 0.27 -2.03 0.64 -2.24 0.37 -4.77 114.28 108.44 1pyo n THR 46 Ca -0.18 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1pyo n THR 46 Cb 0.54 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 69.23 1pyo n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyo n GLY 47 N -0.18 0.08 0.08 3.38 0.00 -1.19 -4.94 105.19 102.43 1pyo n GLY 47 Ca 0.03 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1pyo n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pyo h GLU 48 N 0.00 0.15 -6.39 1.61 5.08 -1.94 -3.36 114.58 109.74 1pyo h GLU 48 Ca -0.13 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.65 1pyo h GLU 48 Cb 0.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1pyo h GLU 48 CO 0.12 0.15 1.16 0.21 -1.00 0.00 0.00 179.01 179.65 1pyo s LYS 49 N -5.98 3.53 0.16 2.33 2.47 -1.26 -4.96 119.74 116.03 1pyo s LYS 49 Ca -0.13 1.25 -0.30 0.00 -1.56 0.00 0.00 55.97 55.23 1pyo s LYS 49 Cb 0.07 -4.09 -0.07 0.00 -1.46 0.00 0.00 37.83 32.28 1pyo s LYS 49 CO 0.68 -1.62 1.08 -1.21 0.16 0.00 0.00 175.35 174.44 1pyo s GLU 50 N 5.14 4.61 -0.02 4.03 2.02 -1.26 -4.61 118.70 128.62 1pyo s GLU 50 Ca 0.70 1.67 0.01 0.00 0.02 0.00 0.00 54.97 57.37 1pyo s GLU 50 Cb -0.19 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.75 1pyo s GLU 50 CO 0.32 0.09 -0.03 -0.51 0.02 0.00 0.00 175.26 175.14 1pyo s LEU 51 N -0.25 1.62 0.31 1.80 1.43 -1.26 -5.09 118.68 117.24 1pyo s LEU 51 Ca 0.49 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1pyo s LEU 51 Cb -0.28 -0.29 -0.10 0.00 0.03 0.00 0.00 46.19 45.55 1pyo s LEU 51 CO 0.34 -0.01 1.29 -1.61 0.23 0.00 0.00 176.35 176.58 1pyo s GLU 52 N 0.43 4.39 0.16 1.70 0.41 -1.26 -4.51 118.70 120.03 1pyo s GLU 52 Ca -0.05 2.15 -0.34 0.00 -0.41 0.00 0.00 54.97 56.33 1pyo s GLU 52 Cb -0.08 -3.10 -0.15 0.00 -1.78 0.00 0.00 34.13 29.02 1pyo s GLU 52 CO -0.00 -0.15 1.38 0.34 -0.49 0.00 0.00 175.26 176.34 1pyo n PHE 53 N 1.06 1.83 -2.99 1.61 7.35 -1.26 -4.85 117.46 120.21 1pyo n PHE 53 Ca 0.01 0.50 -0.44 0.00 -0.76 0.00 0.00 57.45 56.75 1pyo n PHE 53 Cb 0.42 -2.41 -0.00 0.00 0.35 0.00 0.00 39.48 37.84 1pyo n PHE 53 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1pyo s ARG 54 N 0.21 4.10 0.31 -4.13 0.52 -0.59 -5.00 118.95 114.37 1pyo s ARG 54 Ca 0.77 -2.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.04 1pyo s ARG 54 Cb -0.78 -5.01 -0.10 0.00 0.52 0.00 0.00 34.95 29.57 1pyo s ARG 54 CO 0.46 -1.71 1.43 -1.12 0.02 0.00 0.00 175.30 174.38 1pyo s SER 55 N 2.68 6.58 0.00 0.23 0.01 -1.26 -1.39 113.70 120.55 1pyo s SER 55 Ca 0.41 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1pyo s SER 55 Cb -0.04 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1pyo s SER 55 CO -0.01 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1pyo n GLY 56 N 1.36 1.68 0.26 3.44 0.00 -1.26 -4.90 105.19 105.77 1pyo n GLY 56 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1pyo n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pyo h GLY 57 N 0.00 0.00 1.22 -0.02 0.00 -1.65 -1.46 103.07 101.16 1pyo h GLY 57 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1pyo h GLY 57 CO 0.00 0.00 -0.04 1.29 0.00 0.00 0.00 176.54 177.79 1pyo h ASP 58 N 0.00 0.91 -0.48 0.19 2.03 -1.91 -1.66 116.42 115.50 1pyo h ASP 58 Ca -0.00 -0.26 -0.04 0.00 -0.73 0.00 0.00 57.03 56.00 1pyo h ASP 58 Cb 0.17 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.41 1pyo h ASP 58 CO 0.01 0.99 0.13 0.58 -1.03 0.00 0.00 179.24 179.93 1pyo h VAL 59 N 0.85 1.23 -0.20 4.15 2.07 -1.67 -2.05 116.25 120.63 1pyo h VAL 59 Ca 0.15 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1pyo h VAL 59 Cb 0.56 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1pyo h VAL 59 CO 0.03 0.29 0.12 0.44 0.02 0.00 0.00 177.57 178.47 1pyo h ASP 60 N 0.64 0.21 0.08 0.57 3.32 -1.30 -0.41 116.42 119.54 1pyo h ASP 60 Ca 0.15 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1pyo h ASP 60 Cb 0.30 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1pyo h ASP 60 CO -0.00 0.15 -0.20 -0.74 -1.72 0.00 0.00 179.24 176.73 1pyo h HIS 61 N 0.26 -0.54 -0.64 4.55 2.76 -1.17 -0.93 115.15 119.44 1pyo h HIS 61 Ca 0.07 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1pyo h HIS 61 Cb -0.02 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 1pyo h HIS 61 CO -0.07 -0.29 0.14 0.66 -1.30 0.00 0.00 177.93 177.07 1pyo h SER 62 N -0.37 0.96 -0.55 3.26 4.64 -1.28 -1.54 113.55 118.67 1pyo h SER 62 Ca 0.03 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1pyo h SER 62 Cb 0.41 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1pyo h SER 62 CO -0.13 0.94 0.36 0.74 -0.87 0.00 0.00 176.83 177.87 1pyo h THR 63 N 0.97 1.14 -0.14 2.95 2.02 -0.80 -1.27 112.91 117.78 1pyo h THR 63 Ca 0.20 -0.25 -0.19 0.00 0.77 0.00 0.00 66.41 66.94 1pyo h THR 63 Cb 0.37 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1pyo h THR 63 CO 0.00 0.13 -0.69 -0.07 0.37 0.00 0.00 175.52 175.27 1pyo h LEU 64 N 0.74 0.66 -0.33 2.58 3.38 -0.94 0.21 115.31 121.61 1pyo h LEU 64 Ca 0.20 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1pyo h LEU 64 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1pyo h LEU 64 CO -0.05 1.16 0.21 0.58 0.09 0.00 0.00 178.44 180.43 1pyo h VAL 65 N 0.40 1.09 -0.11 1.22 2.07 -1.14 0.03 116.25 119.82 1pyo h VAL 65 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1pyo h VAL 65 Cb 1.27 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1pyo h VAL 65 CO 0.13 0.09 0.04 0.74 0.02 0.00 0.00 177.57 178.59 1pyo h THR 66 N 0.44 1.16 -0.19 2.57 2.02 -1.12 -1.80 112.91 116.00 1pyo h THR 66 Ca 0.12 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1pyo h THR 66 Cb -0.03 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1pyo h THR 66 CO -0.02 0.14 -0.06 0.25 0.37 0.00 0.00 175.52 176.20 1pyo h LEU 67 N -0.00 -0.22 -1.00 2.58 5.85 -0.75 -0.72 115.31 121.05 1pyo h LEU 67 Ca 0.03 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1pyo h LEU 67 Cb 0.19 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1pyo h LEU 67 CO -0.00 -0.08 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.67 1pyo h PHE 68 N -0.03 0.67 -0.40 1.25 0.04 -0.94 -1.56 116.94 115.97 1pyo h PHE 68 Ca 0.09 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1pyo h PHE 68 Cb 0.17 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1pyo h PHE 68 CO -0.22 0.69 0.12 0.87 -0.60 0.00 0.00 178.31 179.17 1pyo h LYS 69 N 0.58 0.62 0.00 1.51 1.57 -0.94 -1.65 116.57 118.26 1pyo h LYS 69 Ca 0.11 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1pyo h LYS 69 Cb 0.49 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pyo h LYS 69 CO 0.03 0.62 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.35 1pyo h LEU 70 N 0.49 0.00 -0.74 2.94 3.38 -0.74 -1.30 115.31 119.34 1pyo h LEU 70 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pyo h LEU 70 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pyo h LEU 70 CO -0.00 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1pyo n LEU 71 N -3.52 1.12 0.00 1.67 4.77 -0.62 -4.91 117.00 115.50 1pyo n LEU 71 Ca -0.01 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1pyo n LEU 71 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1pyo n LEU 71 CO 0.29 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1pyo n GLY 72 N 1.03 0.85 3.92 -0.72 0.00 -0.49 -4.82 105.19 104.96 1pyo n GLY 72 Ca 0.16 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1pyo n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pyo s TYR 73 N -2.00 3.49 -0.53 1.61 1.51 -0.66 -0.40 117.35 120.37 1pyo s TYR 73 Ca 0.00 0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 56.21 1pyo s TYR 73 Cb 0.00 -1.86 0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1pyo s TYR 73 CO 0.00 0.46 0.79 0.34 -1.11 0.00 0.00 175.55 176.03 1pyo s ASP 74 N -2.77 6.29 -0.22 2.29 -1.08 -0.41 -4.32 116.67 116.45 1pyo s ASP 74 Ca 0.38 -0.59 -0.21 0.00 -0.52 0.00 0.00 52.55 51.61 1pyo s ASP 74 Cb -0.12 -2.37 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1pyo s ASP 74 CO 0.27 -1.06 0.64 -0.69 0.52 0.00 0.00 175.17 174.85 1pyo s VAL 75 N 3.32 5.00 -0.03 1.11 1.01 -1.26 -0.97 120.40 128.58 1pyo s VAL 75 Ca 0.23 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1pyo s VAL 75 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1pyo s VAL 75 CO 0.16 0.08 0.15 -1.00 0.00 0.00 0.00 175.10 174.49 1pyo s HIS 76 N 2.12 3.51 0.06 5.22 3.76 0.20 -4.95 115.29 125.21 1pyo s HIS 76 Ca 0.28 0.37 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1pyo s HIS 76 Cb -0.16 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 1pyo s HIS 76 CO 0.10 0.65 -0.14 0.14 -0.85 0.00 0.00 174.74 174.63 1pyo s VAL 77 N -1.23 1.13 -0.06 -0.90 -7.23 -1.26 -0.68 120.40 110.17 1pyo s VAL 77 Ca 0.24 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1pyo s VAL 77 Cb -0.12 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1pyo s VAL 77 CO 0.14 -0.12 0.14 -0.76 -0.31 0.00 0.00 175.10 174.20 1pyo s LEU 78 N -1.47 1.14 -0.00 1.32 1.43 -0.51 -4.95 118.68 115.63 1pyo s LEU 78 Ca -0.00 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1pyo s LEU 78 Cb -0.09 0.43 -0.01 0.00 0.03 0.00 0.00 46.19 46.55 1pyo s LEU 78 CO 0.02 -0.09 -0.12 0.00 0.23 0.00 0.00 176.35 176.39 1pyo n ASP 80 N 2.67 -5.59 -4.63 0.00 8.00 -0.01 -4.98 116.55 112.01 1pyo n ASP 80 Ca -0.14 -0.72 -0.31 0.00 0.71 0.00 0.00 54.79 54.33 1pyo n ASP 80 Cb 0.56 -2.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.00 1pyo n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pyo s GLN 81 N -4.39 2.49 0.91 -1.24 -1.52 -1.26 -4.85 119.66 109.80 1pyo s GLN 81 Ca 0.01 -0.80 -0.12 0.00 -1.95 0.00 0.00 55.36 52.50 1pyo s GLN 81 Cb -0.00 -2.49 0.14 0.00 -0.22 0.00 0.00 33.01 30.43 1pyo s GLN 81 CO 0.86 0.57 1.13 0.95 -0.25 0.00 0.00 175.29 178.55 1pyo s THR 82 N -1.15 2.11 0.20 -0.19 -4.23 -1.26 -0.83 115.64 110.29 1pyo s THR 82 Ca 0.21 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.64 1pyo s THR 82 Cb -0.11 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.10 1pyo s THR 82 CO 0.12 -0.04 1.86 0.00 -0.54 0.00 0.00 174.62 176.02 1pyo h ALA 83 N -1.51 0.86 -0.62 3.99 0.00 -1.85 -0.15 119.26 119.98 1pyo h ALA 83 Ca -0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1pyo h ALA 83 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1pyo h ALA 83 CO 0.61 0.29 0.12 0.37 0.00 0.00 0.00 179.25 180.65 1pyo h GLN 84 N 0.92 1.01 -0.60 0.00 4.15 -1.93 -1.82 115.11 116.85 1pyo h GLN 84 Ca 0.25 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1pyo h GLN 84 Cb -0.09 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1pyo h GLN 84 CO -0.05 0.94 0.11 0.93 -1.93 0.00 0.00 178.83 178.83 1pyo h GLU 85 N 0.92 0.96 -0.12 1.69 5.08 -1.81 -1.51 114.58 119.79 1pyo h GLU 85 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1pyo h GLU 85 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pyo h GLU 85 CO 0.01 0.87 0.05 0.52 -1.00 0.00 0.00 179.01 179.47 1pyo h MET 86 N 0.91 0.17 -0.48 2.33 2.86 -0.74 -0.71 114.93 119.28 1pyo h MET 86 Ca 0.19 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1pyo h MET 86 Cb 0.37 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1pyo h MET 86 CO 0.01 0.25 0.30 0.37 1.06 0.00 0.00 176.91 178.90 1pyo h GLN 87 N 0.05 0.59 -0.33 1.72 -0.00 -1.11 0.82 115.11 116.86 1pyo h GLN 87 Ca 0.04 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1pyo h GLN 87 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1pyo h GLN 87 CO -0.00 0.39 -0.00 0.93 0.00 0.00 0.00 178.83 180.15 1pyo h GLU 88 N 0.61 0.58 0.00 1.69 5.08 -1.14 -1.66 114.58 119.75 1pyo h GLU 88 Ca 0.18 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1pyo h GLU 88 Cb -0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1pyo h GLU 88 CO -0.06 0.71 -0.71 0.87 -1.00 0.00 0.00 179.01 178.82 1pyo h LYS 89 N 0.39 0.00 -0.27 2.33 1.57 -1.02 -0.47 116.57 119.10 1pyo h LYS 89 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 1pyo h LYS 89 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1pyo h LYS 89 CO 0.02 0.71 -0.51 -0.07 -0.57 0.00 0.00 179.45 179.03 1pyo h LEU 90 N 0.00 0.85 -0.50 2.94 3.38 -0.80 -0.11 115.31 121.07 1pyo h LEU 90 Ca -0.01 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1pyo h LEU 90 Cb 1.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1pyo h LEU 90 CO 0.09 1.21 -0.00 -0.61 0.09 0.00 0.00 178.44 179.22 1pyo h GLN 91 N 0.60 0.89 -0.86 1.13 4.15 -1.17 0.12 115.11 119.98 1pyo h GLN 91 Ca 0.02 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1pyo h GLN 91 Cb 1.09 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1pyo h GLN 91 CO 0.11 0.92 0.47 -0.91 -1.93 0.00 0.00 178.83 177.49 1pyo h ASN 92 N 0.76 1.07 -0.30 -0.69 -0.26 -0.94 -1.12 115.58 114.10 1pyo h ASN 92 Ca 0.14 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 1pyo h ASN 92 Cb 0.52 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1pyo h ASN 92 CO 0.03 0.86 0.00 0.15 -1.06 0.00 0.00 177.43 177.41 1pyo h PHE 93 N 1.20 0.58 -0.08 1.19 3.57 -0.56 -2.69 116.94 120.15 1pyo h PHE 93 Ca 0.30 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1pyo h PHE 93 Cb 0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1pyo h PHE 93 CO 0.01 0.66 -0.15 0.00 -2.23 0.00 0.00 178.31 176.60 1pyo h ALA 94 N 0.84 1.60 -0.01 2.41 0.00 -0.68 -2.63 119.26 120.81 1pyo h ALA 94 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pyo h ALA 94 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pyo h ALA 94 CO 0.01 0.29 -0.03 1.04 0.00 0.00 0.00 179.25 180.56 1pyo n GLN 95 N -4.30 1.09 -1.81 0.00 1.13 -0.45 -4.93 117.38 108.11 1pyo n GLN 95 Ca -0.01 -0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 54.28 1pyo n GLN 95 Cb 0.25 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 1pyo n GLN 95 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pyo s LEU 96 N -2.15 4.33 0.51 1.08 1.43 -0.99 -4.91 118.68 117.97 1pyo s LEU 96 Ca 0.39 3.01 0.27 0.00 -1.03 0.00 0.00 54.13 56.77 1pyo s LEU 96 Cb 0.21 -3.66 1.35 0.00 0.03 0.00 0.00 46.19 44.12 1pyo s LEU 96 CO 0.39 -0.87 2.02 -0.65 0.23 0.00 0.00 176.35 177.48 1pyo h PRO 97 N 3.48 0.00 0.00 1.29 0.11 -1.91 -2.91 132.00 132.05 1pyo h PRO 97 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pyo h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pyo h PRO 97 CO 0.68 0.14 -0.00 0.00 -0.21 0.00 0.00 178.00 178.61 1pyo h ALA 98 N 1.86 1.66 0.00 -0.75 0.00 -1.97 -1.34 119.26 118.72 1pyo h ALA 98 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pyo h ALA 98 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pyo h ALA 98 CO 0.02 0.01 -0.04 0.45 0.00 0.00 0.00 179.25 179.69 1pyo h HIS 99 N 0.00 0.00 0.00 0.00 3.86 -1.88 -1.99 115.15 115.14 1pyo h HIS 99 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1pyo h HIS 99 Cb 0.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1pyo h HIS 99 CO 0.00 0.04 -0.03 0.00 0.86 0.00 0.00 177.93 178.79 1pyo h ARG 100 N 0.00 0.00 -0.22 2.45 3.08 -1.46 -2.85 114.38 115.38 1pyo h ARG 100 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pyo h ARG 100 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1pyo h ARG 100 CO 0.00 0.03 0.00 1.33 -1.07 0.00 0.00 179.97 180.27 1pyo n VAL 101 N -3.54 1.75 -4.57 2.04 0.24 -0.75 -5.00 118.33 108.52 1pyo n VAL 101 Ca -0.02 -1.62 -0.27 0.00 -2.04 0.00 0.00 64.34 60.38 1pyo n VAL 101 Cb 0.14 0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 1pyo n VAL 101 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pyo s THR 102 N -2.17 2.09 -1.20 3.34 -4.23 -1.08 -4.79 115.64 107.61 1pyo s THR 102 Ca 0.31 -2.03 0.18 0.00 -1.18 0.00 0.00 61.69 58.97 1pyo s THR 102 Cb 0.24 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 71.06 1pyo s THR 102 CO 0.09 -0.05 0.82 0.47 -0.54 0.00 0.00 174.62 175.41 1pyo n ASP 103 N -0.95 1.25 -3.18 3.99 8.00 -1.16 -4.98 116.55 119.53 1pyo n ASP 103 Ca -0.05 -1.13 -0.08 0.00 0.71 0.00 0.00 54.79 54.25 1pyo n ASP 103 Cb 0.66 0.76 0.01 0.00 -0.02 0.00 0.00 41.12 42.53 1pyo n ASP 103 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pyo s SER 104 N -2.37 -0.06 -0.02 -2.24 1.04 -0.99 -4.06 113.70 105.00 1pyo s SER 104 Ca 0.10 -0.99 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 1pyo s SER 104 Cb 0.14 0.81 0.01 0.00 0.10 0.00 0.00 66.02 67.07 1pyo s SER 104 CO 0.59 -1.58 0.16 0.00 0.98 0.00 0.00 173.24 173.39 1pyo s ILE 106 N -0.94 0.71 -0.07 0.00 1.01 -0.98 -0.63 121.20 120.30 1pyo s ILE 106 Ca -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1pyo s ILE 106 Cb -0.06 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1pyo s ILE 106 CO 0.01 0.25 -0.08 -0.69 0.00 0.00 0.00 174.94 174.44 1pyo s VAL 107 N 0.66 0.86 -0.10 2.92 1.01 -0.28 -0.63 120.40 124.83 1pyo s VAL 107 Ca -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1pyo s VAL 107 Cb -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1pyo s VAL 107 CO 0.01 0.31 -0.22 0.00 0.00 0.00 0.00 175.10 175.20 1pyo s ALA 108 N 1.12 2.07 -0.14 5.51 0.00 0.12 -1.22 121.76 129.21 1pyo s ALA 108 Ca -0.07 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1pyo s ALA 108 Cb -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1pyo s ALA 108 CO -0.01 0.21 -0.20 -0.51 0.00 0.00 0.00 175.76 175.24 1pyo s LEU 109 N 0.47 2.19 -0.14 0.00 1.43 0.09 -1.21 118.68 121.52 1pyo s LEU 109 Ca -0.16 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1pyo s LEU 109 Cb -0.17 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1pyo s LEU 109 CO 0.06 0.08 -0.06 -0.76 0.23 0.00 0.00 176.35 175.91 1pyo s LEU 110 N 0.82 1.36 0.00 1.79 2.01 0.08 -1.16 118.68 123.58 1pyo s LEU 110 Ca -0.06 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.60 1pyo s LEU 110 Cb -0.15 -0.85 0.00 0.00 0.01 0.00 0.00 46.19 45.20 1pyo s LEU 110 CO -0.02 -0.16 0.00 -0.24 1.01 0.00 0.00 176.35 176.94 1pyo n SER 111 N 4.92 0.00 -4.90 2.29 2.88 -0.50 -0.99 113.62 117.32 1pyo n SER 111 Ca -0.12 -0.99 -0.28 0.00 -1.33 0.00 0.00 58.87 56.14 1pyo n SER 111 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1pyo n SER 111 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1pyo s HIS 112 N -3.92 3.36 0.20 0.66 3.76 -1.26 -3.99 115.29 114.10 1pyo s HIS 112 Ca 0.00 0.86 -0.20 0.00 -0.15 0.00 0.00 55.06 55.57 1pyo s HIS 112 Cb 0.00 -2.77 0.07 0.00 1.11 0.00 0.00 32.58 30.99 1pyo s HIS 112 CO 0.00 -0.84 0.96 0.41 -0.85 0.00 0.00 174.74 174.42 1pyo n GLY 113 N -2.68 0.67 3.35 -2.22 0.00 -1.25 -0.77 105.19 102.29 1pyo n GLY 113 Ca 0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1pyo n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyo s VAL 114 N -2.09 0.32 0.06 1.61 -7.23 -0.13 -4.36 120.40 108.60 1pyo s VAL 114 Ca 0.21 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 1pyo s VAL 114 Cb -0.03 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 1pyo s VAL 114 CO 0.06 0.00 1.88 1.21 -0.31 0.00 0.00 175.10 177.94 1pyo n GLU 115 N -0.61 2.70 -0.98 4.82 4.07 -1.15 -1.93 120.64 127.55 1pyo n GLU 115 Ca 0.01 0.99 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 1pyo n GLU 115 Cb 0.65 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 1pyo n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pyo n GLY 116 N 4.33 0.63 3.39 8.31 0.00 -1.26 -5.01 105.19 115.58 1pyo n GLY 116 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 1pyo n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyo s ALA 117 N -2.61 -1.32 0.14 4.61 0.00 -0.81 -0.53 121.76 121.23 1pyo s ALA 117 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 51.96 52.76 1pyo s ALA 117 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1pyo s ALA 117 CO 0.00 -0.44 -0.26 0.96 0.00 0.00 0.00 175.76 176.02 1pyo s ILE 118 N -2.03 2.22 0.17 0.00 -4.36 -0.54 -0.95 121.20 115.70 1pyo s ILE 118 Ca -0.08 -1.80 -0.19 0.00 -0.26 0.00 0.00 60.65 58.33 1pyo s ILE 118 Cb -0.01 -1.98 -0.08 0.00 1.25 0.00 0.00 42.46 41.64 1pyo s ILE 118 CO 0.01 0.03 0.66 -0.31 0.24 0.00 0.00 174.94 175.57 1pyo s TYR 119 N -1.22 3.69 0.63 1.37 2.02 0.05 -0.98 117.35 122.91 1pyo s TYR 119 Ca 0.15 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 1pyo s TYR 119 Cb -0.09 -2.55 0.07 0.00 -0.40 0.00 0.00 41.96 38.99 1pyo s TYR 119 CO 0.07 0.42 0.88 0.20 -1.57 0.00 0.00 175.55 175.55 1pyo s GLY 120 N -1.52 1.79 0.15 0.71 0.00 0.21 -4.58 107.32 104.08 1pyo s GLY 120 Ca 0.38 -1.49 0.17 0.00 0.00 0.00 0.00 44.72 43.78 1pyo s GLY 120 CO 0.21 -1.08 1.51 3.33 0.00 0.00 0.00 173.10 177.07 1pyo n VAL 121 N -2.57 1.11 1.07 1.40 0.24 -0.01 -1.55 118.33 118.01 1pyo n VAL 121 Ca 0.11 0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.85 1pyo n VAL 121 Cb 0.60 -1.27 0.21 0.00 -1.47 0.00 0.00 33.84 31.92 1pyo n VAL 121 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pyo n ASP 122 N -1.90 1.66 -0.23 -1.34 5.75 -1.26 -0.48 116.55 118.74 1pyo n ASP 122 Ca 0.02 -1.91 -0.03 0.00 -0.01 0.00 0.00 54.79 52.86 1pyo n ASP 122 Cb 0.14 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1pyo n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pyo n GLY 123 N 1.04 0.58 3.87 6.12 0.00 -0.60 -4.06 105.19 112.14 1pyo n GLY 123 Ca 0.12 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1pyo n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyo s LYS 124 N -1.50 3.20 0.05 1.61 1.02 -1.26 -4.77 119.74 118.10 1pyo s LYS 124 Ca 0.00 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1pyo s LYS 124 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1pyo s LYS 124 CO 0.00 0.55 0.27 -0.51 -0.92 0.00 0.00 175.35 174.74 1pyo s LEU 125 N -2.78 4.34 -0.16 3.17 1.43 -1.26 -0.62 118.68 122.80 1pyo s LEU 125 Ca 0.33 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1pyo s LEU 125 Cb -0.12 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.22 1pyo s LEU 125 CO 0.26 0.18 -0.17 -0.22 0.23 0.00 0.00 176.35 176.63 1pyo s LEU 126 N -2.21 1.88 0.21 1.79 2.96 -0.16 -4.95 118.68 118.20 1pyo s LEU 126 Ca 0.33 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 1pyo s LEU 126 Cb -0.13 -1.30 -0.09 0.00 0.50 0.00 0.00 46.19 45.17 1pyo s LEU 126 CO 0.22 -0.02 1.35 -1.10 -1.32 0.00 0.00 176.35 175.48 1pyo s GLN 127 N 1.34 4.35 0.35 1.98 -1.52 -1.26 -1.47 119.66 123.43 1pyo s GLN 127 Ca 0.04 2.13 0.10 0.00 -1.95 0.00 0.00 55.36 55.67 1pyo s GLN 127 Cb -0.13 -3.17 0.65 0.00 -0.22 0.00 0.00 33.01 30.14 1pyo s GLN 127 CO -0.10 -0.31 1.81 -0.07 -0.25 0.00 0.00 175.29 176.36 1pyo h LEU 128 N 5.36 0.15 -1.34 2.90 3.38 -1.17 -2.60 115.31 122.00 1pyo h LEU 128 Ca -0.45 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1pyo h LEU 128 Cb 1.21 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1pyo h LEU 128 CO 0.78 0.46 0.48 1.56 0.09 0.00 0.00 178.44 181.81 1pyo h GLN 129 N 0.13 0.82 -0.11 1.13 1.08 -1.92 -0.21 115.11 116.04 1pyo h GLN 129 Ca 0.02 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 1pyo h GLN 129 Cb 0.62 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1pyo h GLN 129 CO 0.05 0.54 -0.40 0.93 -0.95 0.00 0.00 178.83 178.99 1pyo h GLU 130 N 0.84 0.25 0.20 1.46 5.08 -1.85 -1.98 114.58 118.57 1pyo h GLU 130 Ca 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1pyo h GLU 130 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pyo h GLU 130 CO -0.09 0.61 -0.10 0.28 -1.00 0.00 0.00 179.01 178.71 1pyo h VAL 131 N 0.21 0.89 -0.84 3.13 2.07 -0.96 -2.80 116.25 117.94 1pyo h VAL 131 Ca 0.02 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1pyo h VAL 131 Cb 0.80 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1pyo h VAL 131 CO 0.06 0.15 0.56 -0.26 0.02 0.00 0.00 177.57 178.10 1pyo h PHE 132 N -0.63 1.04 -0.54 1.57 0.04 -1.23 -1.75 116.94 115.43 1pyo h PHE 132 Ca -0.03 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1pyo h PHE 132 Cb 0.45 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1pyo h PHE 132 CO 0.03 0.64 0.36 0.37 -0.60 0.00 0.00 178.31 179.11 1pyo h GLN 133 N 1.11 0.43 0.00 1.51 4.15 -1.29 -0.55 115.11 120.47 1pyo h GLN 133 Ca 0.32 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1pyo h GLN 133 Cb -0.07 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 1pyo h GLN 133 CO -0.08 0.28 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.03 1pyo h LEU 134 N 0.44 0.00 -2.77 -2.39 3.38 -1.04 -2.28 115.31 110.65 1pyo h LEU 134 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1pyo h LEU 134 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pyo h LEU 134 CO -0.07 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.96 1pyo n PHE 135 N -3.48 0.50 -1.83 1.13 3.01 -0.23 -4.15 117.46 112.40 1pyo n PHE 135 Ca -0.03 -0.46 -0.30 0.00 1.01 0.00 0.00 57.45 57.67 1pyo n PHE 135 Cb 0.08 -0.02 0.21 0.00 -0.01 0.00 0.00 39.48 39.73 1pyo n PHE 135 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1pyo s ASP 136 N -1.01 2.63 0.46 4.37 1.47 -0.86 -4.64 116.67 119.10 1pyo s ASP 136 Ca 0.26 0.23 0.24 0.00 1.18 0.00 0.00 52.55 54.46 1pyo s ASP 136 Cb 0.14 -0.23 1.12 0.00 -0.34 0.00 0.00 42.92 43.61 1pyo s ASP 136 CO 0.18 -3.03 1.93 0.78 0.68 0.00 0.00 175.17 175.71 1pyo h ASN 137 N -1.85 0.00 0.09 2.11 2.35 -1.89 0.54 115.58 116.93 1pyo h ASN 137 Ca -0.44 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.17 1pyo h ASN 137 Cb 1.23 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.61 1pyo h ASN 137 CO 0.33 0.21 -0.65 0.00 -1.65 0.00 0.00 177.43 175.67 1pyo h ALA 138 N 1.79 -0.03 0.00 -0.83 0.00 -1.92 -3.38 119.26 114.90 1pyo h ALA 138 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1pyo h ALA 138 Cb 0.56 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pyo h ALA 138 CO 0.03 0.32 -1.21 0.09 0.00 0.00 0.00 179.25 178.48 1pyo n ASN 139 N -4.26 0.70 -3.46 0.00 3.02 -1.18 -4.52 115.26 105.56 1pyo n ASN 139 Ca -0.14 0.27 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 1pyo n ASN 139 Cb 0.73 0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 40.50 1pyo n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pyo h PRO 141 N 4.47 0.23 0.00 0.00 0.13 -1.76 -1.89 132.00 133.18 1pyo h PRO 141 Ca 0.17 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1pyo h PRO 141 Cb 0.74 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1pyo h PRO 141 CO 0.70 0.15 -0.04 0.77 -0.23 0.00 0.00 178.00 179.35 1pyo h SER 142 N 0.24 0.00 -0.55 1.44 0.02 -1.93 -2.22 113.55 110.55 1pyo h SER 142 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1pyo h SER 142 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1pyo h SER 142 CO -0.04 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1pyo n LEU 143 N -3.41 3.48 -4.68 5.07 4.77 -0.71 -4.47 117.00 117.05 1pyo n LEU 143 Ca -0.02 -2.00 -0.45 0.00 -0.03 0.00 0.00 56.01 53.51 1pyo n LEU 143 Cb 0.16 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1pyo n LEU 143 CO 0.26 0.87 1.09 0.00 -1.33 0.00 0.00 177.39 178.27 1pyo n GLN 144 N 1.12 2.13 -0.80 3.23 6.02 -0.84 -1.67 117.38 126.57 1pyo n GLN 144 Ca 0.18 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 1pyo n GLN 144 Cb 0.53 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.33 1pyo n GLN 144 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pyo n ASN 145 N 2.51 -1.45 -4.87 1.08 3.02 -1.26 -4.99 115.26 109.30 1pyo n ASN 145 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 1pyo n ASN 145 Cb 0.31 -1.65 -0.06 0.00 -0.61 0.00 0.00 39.78 37.77 1pyo n ASN 145 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pyo s LYS 146 N -0.74 3.37 0.18 3.52 1.02 -0.67 -4.98 119.74 121.44 1pyo s LYS 146 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 1pyo s LYS 146 Cb 0.00 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1pyo s LYS 146 CO 0.00 0.72 1.38 -1.25 -0.92 0.00 0.00 175.35 175.27 1pyo s PRO 147 N -1.47 4.33 -0.17 -1.68 0.04 -1.26 -4.90 135.00 129.89 1pyo s PRO 147 Ca 0.21 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1pyo s PRO 147 Cb -0.12 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1pyo s PRO 147 CO 0.11 -0.37 -0.14 0.15 0.04 0.00 0.00 177.00 176.79 1pyo s LYS 148 N 0.36 2.34 -0.11 4.56 1.02 -1.26 -1.87 119.74 124.78 1pyo s LYS 148 Ca 0.61 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 1pyo s LYS 148 Cb -0.38 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1pyo s LYS 148 CO 0.36 -0.28 0.03 -1.64 -0.92 0.00 0.00 175.35 172.90 1pyo s MET 149 N 1.43 3.25 -0.03 1.68 -1.94 0.20 -4.98 119.30 118.90 1pyo s MET 149 Ca 0.03 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.70 1pyo s MET 149 Cb -0.14 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.77 1pyo s MET 149 CO -0.10 0.63 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.35 1pyo s PHE 150 N -0.67 1.30 -0.11 -0.03 0.40 -1.26 -1.13 117.98 116.49 1pyo s PHE 150 Ca 0.11 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1pyo s PHE 150 Cb -0.12 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.53 1pyo s PHE 150 CO 0.02 -0.13 -0.13 -0.06 0.70 0.00 0.00 175.22 175.62 1pyo s PHE 151 N 0.14 1.82 -0.27 0.36 0.08 -0.35 -4.98 117.98 114.77 1pyo s PHE 151 Ca -0.04 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.17 1pyo s PHE 151 Cb -0.10 -1.35 0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1pyo s PHE 151 CO 0.01 -0.48 -0.05 0.42 -0.10 0.00 0.00 175.22 175.02 1pyo s ILE 152 N 1.14 1.97 -0.53 0.64 1.01 -1.26 -0.73 121.20 123.43 1pyo s ILE 152 Ca -0.04 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 58.78 1pyo s ILE 152 Cb -0.14 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.24 1pyo s ILE 152 CO -0.03 -0.20 0.49 -1.58 0.00 0.00 0.00 174.94 173.62 1pyo s GLN 153 N 1.16 2.99 -0.19 2.79 2.00 -0.31 -4.99 119.66 123.11 1pyo s GLN 153 Ca -0.03 -1.65 -0.30 0.00 -2.00 0.00 0.00 55.36 51.38 1pyo s GLN 153 Cb -0.19 -4.28 0.14 0.00 0.80 0.00 0.00 33.01 29.48 1pyo s GLN 153 CO -0.07 -1.30 1.06 0.00 -0.50 0.00 0.00 175.29 174.49 1pyo s ALA 154 N 1.64 -1.97 0.68 1.58 0.00 -1.26 -1.41 121.76 121.03 1pyo s ALA 154 Ca 0.03 1.65 -0.15 0.00 0.00 0.00 0.00 51.96 53.50 1pyo s ALA 154 Cb -0.29 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1pyo s ALA 154 CO 0.04 -0.29 1.13 0.00 0.00 0.00 0.00 175.76 176.63 1pyo n ARG 156 N -2.55 1.15 0.00 0.00 1.74 -1.26 -2.44 116.66 113.31 1pyo n ARG 156 Ca 0.11 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.39 1pyo n ARG 156 Cb 0.52 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1pyo n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pyo n GLY 157 N -0.82 0.62 0.48 -0.13 0.00 -1.26 -2.96 105.19 101.11 1pyo n GLY 157 Ca 0.15 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.72 1pyo n GLY 157 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pyo n ASP 158 N 0.00 2.46 -4.72 1.61 5.68 -1.26 -4.98 116.55 115.35 1pyo n ASP 158 Ca 0.00 -1.82 -0.42 0.00 -0.50 0.00 0.00 54.79 52.06 1pyo n ASP 158 Cb 0.00 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 39.81 1pyo n ASP 158 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1pyo s GLU 159 N -0.93 4.55 -0.05 0.11 2.02 -1.26 -5.02 118.70 118.12 1pyo s GLU 159 Ca 0.17 1.60 -0.14 0.00 0.02 0.00 0.00 54.97 56.62 1pyo s GLU 159 Cb 0.09 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1pyo s GLU 159 CO 0.12 -0.04 0.36 -0.08 0.02 0.00 0.00 175.26 175.64 1pyo s THR 160 N 0.56 5.16 -0.39 3.63 -1.32 -1.26 -5.04 115.64 116.98 1pyo s THR 160 Ca 0.53 0.71 -0.23 0.00 -1.21 0.00 0.00 61.69 61.49 1pyo s THR 160 Cb -0.26 -3.66 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 1pyo s THR 160 CO 0.30 0.53 0.76 -0.62 -2.21 0.00 0.00 174.62 173.39 1pyo s ASP 161 N -0.69 6.48 0.32 8.08 -1.08 -1.26 -4.89 116.67 123.64 1pyo s ASP 161 Ca 0.21 0.15 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 1pyo s ASP 161 Cb -0.15 -2.38 0.99 0.00 -1.46 0.00 0.00 42.92 39.92 1pyo s ASP 161 CO 0.10 -0.78 1.78 0.03 0.52 0.00 0.00 175.17 176.82 1pyo h ARG 162 N 8.66 0.00 0.00 4.34 -0.00 -2.05 -3.49 114.38 121.84 1pyo h ARG 162 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 1pyo h ARG 162 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1pyo h ARG 162 CO 0.92 0.00 0.00 0.41 0.00 0.00 0.00 179.97 181.30 1pyo n GLY 163 N 0.33 -1.61 3.02 0.04 0.00 -1.26 -5.01 105.19 100.70 1pyo n GLY 163 Ca 0.03 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1pyo n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyo s VAL 164 N -1.55 0.47 0.52 1.61 -7.23 -1.26 -5.14 120.40 107.81 1pyo s VAL 164 Ca 0.00 -0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 59.17 1pyo s VAL 164 Cb 0.00 -0.50 -0.07 0.00 0.56 0.00 0.00 36.38 36.37 1pyo s VAL 164 CO 0.00 -0.25 1.05 -1.81 -0.31 0.00 0.00 175.10 173.79 1pyo s ASP 165 N -1.14 6.14 0.14 4.85 1.01 -1.26 -4.97 116.67 121.43 1pyo s ASP 165 Ca -0.07 1.92 -0.30 0.00 0.71 0.00 0.00 52.55 54.81 1pyo s ASP 165 Cb -0.08 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 1pyo s ASP 165 CO 0.00 -0.92 1.20 -1.10 0.21 0.00 0.00 175.17 174.56 1pyo s GLN 166 N -3.46 4.47 0.04 8.23 -0.21 -1.26 -5.00 119.66 122.48 1pyo s GLN 166 Ca 0.67 1.84 -0.22 0.00 0.02 0.00 0.00 55.36 57.66 1pyo s GLN 166 Cb -0.17 -3.28 -0.06 0.00 1.00 0.00 0.00 33.01 30.50 1pyo s GLN 166 CO 0.25 -0.15 0.67 -1.14 -2.12 0.00 0.00 175.29 172.80 1pyo s GLN 167 N 0.26 4.38 0.00 2.91 2.00 -1.26 -5.36 119.66 122.59 1pyo s GLN 167 Ca 0.55 0.89 0.26 0.00 -2.00 0.00 0.00 55.36 55.06 1pyo s GLN 167 Cb -0.31 -3.32 0.64 0.00 0.80 0.00 0.00 33.01 30.81 1pyo s GLN 167 CO 0.34 0.41 1.51 -0.25 -0.50 0.00 0.00 175.29 176.80