#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr1 s ASN 2 N 0.00 6.83 0.17 7.83 0.01 -1.26 -4.29 114.94 124.22 2yr1 s ASN 2 Ca 0.00 1.05 -0.12 0.00 -0.71 0.00 0.00 52.86 53.08 2yr1 s ASN 2 Cb 0.00 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.45 2yr1 s ASN 2 CO 0.00 0.15 1.73 0.40 -1.51 0.00 0.00 177.10 177.87 2yr1 h ILE 3 N 2.96 1.22 -3.05 0.60 2.04 -0.26 -3.44 117.51 117.59 2yr1 h ILE 3 Ca -0.49 -0.68 -0.63 0.00 1.00 0.00 0.00 64.86 64.06 2yr1 h ILE 3 Cb 1.20 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 37.71 2yr1 h ILE 3 CO 0.65 0.27 -0.71 -0.44 0.00 0.00 0.00 178.15 177.92 2yr1 s SER 4 N -6.07 4.39 0.14 1.72 0.01 0.17 -4.46 113.70 109.59 2yr1 s SER 4 Ca -0.13 -0.51 -0.18 0.00 1.31 0.00 0.00 55.95 56.44 2yr1 s SER 4 Cb 0.13 -0.80 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2yr1 s SER 4 CO 0.79 0.11 1.75 -0.65 0.41 0.00 0.00 173.24 175.65 2yr1 h PRO 5 N 2.96 0.21 -4.36 12.44 0.11 -1.84 -3.38 132.00 138.14 2yr1 h PRO 5 Ca -0.47 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 2yr1 h PRO 5 Cb 1.20 -0.05 -0.39 0.00 0.11 0.00 0.00 31.00 31.87 2yr1 h PRO 5 CO 0.55 0.14 -0.76 0.15 -0.21 0.00 0.00 178.00 177.87 2yr1 s LYS 6 N -6.17 1.44 0.60 1.05 1.02 -1.26 -5.07 119.74 111.34 2yr1 s LYS 6 Ca -0.13 -1.37 -0.18 0.00 0.02 0.00 0.00 55.97 54.31 2yr1 s LYS 6 Cb 0.10 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2yr1 s LYS 6 CO 0.70 -0.80 1.15 0.00 -0.92 0.00 0.00 175.35 175.47 2yr1 s ALA 7 N 1.23 2.56 -0.02 5.17 0.00 -1.26 -4.55 121.76 124.90 2yr1 s ALA 7 Ca 0.03 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.84 2yr1 s ALA 7 Cb -0.19 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2yr1 s ALA 7 CO -0.11 -1.06 -0.14 -1.50 0.00 0.00 0.00 175.76 172.95 2yr1 s ILE 8 N -1.89 3.09 -0.33 0.00 2.07 -0.69 -4.95 121.20 118.50 2yr1 s ILE 8 Ca 0.72 -0.86 -0.12 0.00 -1.41 0.00 0.00 60.65 58.99 2yr1 s ILE 8 Cb -0.25 -2.26 -0.01 0.00 0.13 0.00 0.00 42.46 40.08 2yr1 s ILE 8 CO 0.33 0.49 0.21 -0.75 -1.91 0.00 0.00 174.94 173.30 2yr1 s LYS 9 N -1.05 3.35 -0.28 3.50 2.20 -1.26 -0.58 119.74 125.62 2yr1 s LYS 9 Ca 0.13 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 2yr1 s LYS 9 Cb -0.11 -3.71 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2yr1 s LYS 9 CO 0.03 -0.47 -0.01 0.08 -0.36 0.00 0.00 175.35 174.62 2yr1 s VAL 10 N 1.66 3.08 -1.41 4.02 1.01 0.27 -4.74 120.40 124.29 2yr1 s VAL 10 Ca 0.05 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2yr1 s VAL 10 Cb -0.17 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2yr1 s VAL 10 CO 0.08 0.05 0.33 0.54 0.00 0.00 0.00 175.10 176.10 2yr1 n ARG 11 N 4.68 -1.82 -0.84 2.72 1.74 -1.26 -0.16 116.66 121.71 2yr1 n ARG 11 Ca -0.15 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2yr1 n ARG 11 Cb 0.46 -3.87 0.00 0.00 -1.02 0.00 0.00 32.46 28.02 2yr1 n ARG 11 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2yr1 n ASN 12 N -2.81 0.00 -4.65 0.55 5.15 -1.26 -4.92 115.26 107.32 2yr1 n ASN 12 Ca -0.27 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.39 2yr1 n ASN 12 Cb 0.67 -0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 39.15 2yr1 n ASN 12 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2yr1 s ILE 13 N -3.16 3.89 -0.15 -1.44 2.07 0.77 -5.11 121.20 118.07 2yr1 s ILE 13 Ca 0.00 -0.82 -0.07 0.00 -1.41 0.00 0.00 60.65 58.35 2yr1 s ILE 13 Cb 0.00 -2.76 -0.04 0.00 0.13 0.00 0.00 42.46 39.79 2yr1 s ILE 13 CO 0.00 0.29 0.09 0.26 -1.91 0.00 0.00 174.94 173.67 2yr1 s TRP 14 N -1.13 3.40 -0.23 3.50 0.52 -1.26 0.96 118.94 124.69 2yr1 s TRP 14 Ca 0.21 0.32 -0.02 0.00 0.02 0.00 0.00 56.10 56.62 2yr1 s TRP 14 Cb -0.11 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2yr1 s TRP 14 CO 0.12 0.46 -0.07 0.42 0.02 0.00 0.00 176.95 177.90 2yr1 s ILE 15 N -0.38 2.99 0.00 2.03 1.01 0.26 -4.45 121.20 122.66 2yr1 s ILE 15 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2yr1 s ILE 15 Cb -0.12 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2yr1 s ILE 15 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2yr1 n GLY 16 N 4.72 0.95 0.00 6.18 0.00 -1.26 -1.70 105.19 114.07 2yr1 n GLY 16 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2yr1 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yr1 n GLY 17 N -2.10 1.00 0.20 -0.02 0.00 -1.26 -0.66 105.19 102.36 2yr1 n GLY 17 Ca 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.39 2yr1 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yr1 h THR 18 N 0.00 1.12 -3.03 2.61 1.03 -1.91 0.25 112.91 112.98 2yr1 h THR 18 Ca 0.00 -1.09 -0.66 0.00 -0.01 0.00 0.00 66.41 64.65 2yr1 h THR 18 Cb 0.00 1.60 -0.12 0.00 -1.07 0.00 0.00 68.15 68.57 2yr1 h THR 18 CO 0.00 0.30 -0.54 -0.70 -0.01 0.00 0.00 175.52 174.57 2yr1 s GLU 19 N -4.22 3.43 0.66 0.00 2.56 -1.26 -4.70 118.70 115.17 2yr1 s GLU 19 Ca -0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 54.97 54.52 2yr1 s GLU 19 Cb 0.14 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 33.20 2yr1 s GLU 19 CO 0.70 0.63 1.13 -2.14 -0.56 0.00 0.00 175.26 175.02 2yr1 s PRO 20 N -0.63 2.74 -0.07 4.30 0.02 -1.26 -4.60 135.00 135.49 2yr1 s PRO 20 Ca 0.12 1.48 0.03 0.00 0.02 0.00 0.00 61.00 62.64 2yr1 s PRO 20 Cb -0.12 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2yr1 s PRO 20 CO 0.02 -1.32 -0.13 0.00 -0.33 0.00 0.00 177.00 175.24 2yr1 s ILE 22 N -0.48 3.73 -0.08 0.00 1.01 -1.26 -1.13 121.20 122.98 2yr1 s ILE 22 Ca 0.06 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2yr1 s ILE 22 Cb -0.12 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2yr1 s ILE 22 CO 0.02 0.52 -0.22 0.00 0.00 0.00 0.00 174.94 175.26 2yr1 s ALA 24 N 0.05 2.29 0.60 0.00 0.00 -0.79 -0.73 121.76 123.18 2yr1 s ALA 24 Ca -0.09 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 2yr1 s ALA 24 Cb -0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2yr1 s ALA 24 CO 0.06 0.39 1.00 -1.25 0.00 0.00 0.00 175.76 175.95 2yr1 s PRO 25 N -0.06 3.53 -0.09 0.00 0.04 -1.26 -1.69 135.00 135.46 2yr1 s PRO 25 Ca -0.06 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2yr1 s PRO 25 Cb -0.14 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2yr1 s PRO 25 CO 0.05 -0.55 -0.07 0.08 0.04 0.00 0.00 177.00 176.54 2yr1 s VAL 26 N -3.12 0.93 -0.12 -0.36 1.01 0.29 -4.65 120.40 114.37 2yr1 s VAL 26 Ca 0.54 -0.27 0.15 0.00 0.00 0.00 0.00 61.98 62.40 2yr1 s VAL 26 Cb -0.11 -0.94 0.30 0.00 0.00 0.00 0.00 36.38 35.63 2yr1 s VAL 26 CO 0.52 0.34 1.15 1.33 0.00 0.00 0.00 175.10 178.44 2yr1 n VAL 27 N 4.64 1.55 -1.07 2.92 0.24 -1.26 -1.41 118.33 123.93 2yr1 n VAL 27 Ca -0.15 -2.13 -0.35 0.00 -2.04 0.00 0.00 64.34 59.67 2yr1 n VAL 27 Cb 0.50 -0.02 0.10 0.00 -1.47 0.00 0.00 33.84 32.95 2yr1 n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2yr1 n GLY 28 N -0.97 -1.52 0.13 7.63 0.00 -1.26 -4.80 105.19 104.41 2yr1 n GLY 28 Ca 0.14 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.71 2yr1 n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2yr1 h GLU 29 N -0.87 0.00 -3.64 1.61 4.22 -1.90 -3.33 114.58 110.67 2yr1 h GLU 29 Ca -0.45 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.90 2yr1 h GLU 29 Cb 1.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.49 2yr1 h GLU 29 CO 0.40 0.12 -0.07 0.16 -2.18 0.00 0.00 179.01 177.44 2yr1 s ASP 30 N -5.70 0.13 0.16 1.04 1.47 -1.26 -1.20 116.67 111.30 2yr1 s ASP 30 Ca 0.01 -1.06 -0.26 0.00 1.18 0.00 0.00 52.55 52.42 2yr1 s ASP 30 Cb 0.08 0.64 0.02 0.00 -0.34 0.00 0.00 42.92 43.33 2yr1 s ASP 30 CO 0.77 -1.25 1.57 -0.78 0.68 0.00 0.00 175.17 176.16 2yr1 h ASP 31 N 2.18 -1.43 -0.46 2.11 3.58 -1.94 0.33 116.42 120.79 2yr1 h ASP 31 Ca -0.27 0.23 0.05 0.00 0.42 0.00 0.00 57.03 57.46 2yr1 h ASP 31 Cb 1.25 0.64 -0.05 0.00 1.72 0.00 0.00 39.33 42.89 2yr1 h ASP 31 CO 0.36 -0.35 0.20 -0.09 -2.88 0.00 0.00 179.24 176.48 2yr1 h ARG 32 N -0.27 0.39 -0.47 0.28 9.65 -1.99 -0.91 114.38 121.05 2yr1 h ARG 32 Ca 0.16 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.90 2yr1 h ARG 32 Cb 0.57 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2yr1 h ARG 32 CO -0.63 0.26 -0.14 0.87 2.80 0.00 0.00 179.97 183.13 2yr1 h LYS 33 N 0.40 0.93 -0.75 0.20 1.57 -1.71 -2.08 116.57 115.13 2yr1 h LYS 33 Ca 0.21 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2yr1 h LYS 33 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2yr1 h LYS 33 CO -0.18 1.03 0.34 0.28 -0.57 0.00 0.00 179.45 180.35 2yr1 h VAL 34 N 0.78 1.25 -0.25 0.50 2.07 -0.06 -1.35 116.25 119.18 2yr1 h VAL 34 Ca 0.12 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2yr1 h VAL 34 Cb 0.70 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2yr1 h VAL 34 CO 0.05 0.30 -0.02 -0.07 0.02 0.00 0.00 177.57 177.86 2yr1 h LEU 35 N 1.07 0.45 -0.56 2.57 4.07 -1.09 -0.36 115.31 121.47 2yr1 h LEU 35 Ca 0.25 -0.33 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 2yr1 h LEU 35 Cb 0.16 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2yr1 h LEU 35 CO -0.03 0.67 0.16 -0.09 -1.08 0.00 0.00 178.44 178.08 2yr1 h ARG 36 N 0.23 0.87 -0.65 1.13 2.43 -1.28 -0.81 114.38 116.29 2yr1 h ARG 36 Ca 0.07 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2yr1 h ARG 36 Cb 0.45 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2yr1 h ARG 36 CO 0.02 0.80 0.32 1.49 -1.51 0.00 0.00 179.97 181.08 2yr1 h GLU 37 N 0.78 0.94 -0.78 0.20 4.81 -1.20 -1.88 114.58 117.44 2yr1 h GLU 37 Ca 0.18 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2yr1 h GLU 37 Cb 0.30 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2yr1 h GLU 37 CO -0.00 0.74 0.38 0.00 -0.73 0.00 0.00 179.01 179.40 2yr1 h ALA 38 N 1.14 1.01 -0.21 2.92 0.00 -0.64 -0.53 119.26 122.96 2yr1 h ALA 38 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2yr1 h ALA 38 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2yr1 h ALA 38 CO -0.03 0.57 0.01 0.93 0.00 0.00 0.00 179.25 180.73 2yr1 h GLU 39 N 1.11 0.08 0.08 0.00 4.39 -0.73 0.17 114.58 119.68 2yr1 h GLU 39 Ca 0.27 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 2yr1 h GLU 39 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2yr1 h GLU 39 CO -0.04 0.06 -0.04 0.93 -1.16 0.00 0.00 179.01 178.76 2yr1 h GLU 40 N 0.09 -0.10 -0.54 2.33 5.08 -0.91 -2.25 114.58 118.28 2yr1 h GLU 40 Ca 0.10 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2yr1 h GLU 40 Cb 0.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2yr1 h GLU 40 CO -0.15 -0.05 0.34 0.28 -1.00 0.00 0.00 179.01 178.43 2yr1 h VAL 41 N -0.12 1.09 0.00 3.13 2.07 -0.91 -2.68 116.25 118.83 2yr1 h VAL 41 Ca -0.01 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2yr1 h VAL 41 Cb 0.09 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2yr1 h VAL 41 CO 0.02 0.12 -0.14 0.00 0.02 0.00 0.00 177.57 177.60 2yr1 h ARG 43 N 0.00 0.44 -7.35 0.00 2.43 -1.05 -3.39 114.38 105.46 2yr1 h ARG 43 Ca -0.00 -0.13 -0.48 0.00 -0.81 0.00 0.00 59.98 58.56 2yr1 h ARG 43 Cb 0.25 -0.05 0.14 0.00 -0.42 0.00 0.00 29.97 29.90 2yr1 h ARG 43 CO 0.02 0.58 0.25 0.15 -1.51 0.00 0.00 179.97 179.46 2yr1 s LYS 44 N -4.71 1.23 -0.79 0.20 -0.14 -0.40 -4.94 119.74 110.19 2yr1 s LYS 44 Ca -0.07 0.76 0.02 0.00 -1.36 0.00 0.00 55.97 55.32 2yr1 s LYS 44 Cb 0.15 -1.81 0.34 0.00 -1.68 0.00 0.00 37.83 34.83 2yr1 s LYS 44 CO 0.77 -2.24 1.48 0.94 -0.76 0.00 0.00 175.35 175.54 2yr1 n GLN 45 N -3.87 4.15 -1.72 1.68 -0.06 -1.26 -4.94 117.38 111.36 2yr1 n GLN 45 Ca 0.07 -4.58 -0.35 0.00 -2.00 0.00 0.00 57.00 50.14 2yr1 n GLN 45 Cb 0.56 -2.34 0.06 0.00 -4.06 0.00 0.00 30.24 24.46 2yr1 n GLN 45 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2yr1 s PRO 46 N -3.93 2.56 0.16 3.69 0.04 -1.26 -4.92 135.00 131.35 2yr1 s PRO 46 Ca 0.45 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2yr1 s PRO 46 Cb 0.27 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 2yr1 s PRO 46 CO -0.18 -1.52 1.38 -0.44 0.04 0.00 0.00 177.00 176.28 2yr1 h ASP 47 N 0.28 0.27 -4.89 6.66 3.32 -1.05 -3.46 116.42 117.55 2yr1 h ASP 47 Ca -0.49 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.14 2yr1 h ASP 47 Cb 1.30 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 2yr1 h ASP 47 CO 0.53 1.02 -0.71 -0.76 -1.72 0.00 0.00 179.24 177.59 2yr1 s LEU 48 N -7.45 2.34 -0.09 1.55 1.02 -0.17 -4.02 118.68 111.86 2yr1 s LEU 48 Ca -0.03 -0.69 0.04 0.00 0.02 0.00 0.00 54.13 53.47 2yr1 s LEU 48 Cb 0.10 -0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.31 2yr1 s LEU 48 CO 0.83 -0.35 -0.22 -0.22 0.02 0.00 0.00 176.35 176.41 2yr1 s LEU 49 N -2.03 2.01 -0.21 1.79 2.96 -0.40 -1.88 118.68 120.92 2yr1 s LEU 49 Ca -0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2yr1 s LEU 49 Cb -0.04 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 2yr1 s LEU 49 CO -0.03 0.14 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.42 2yr1 s GLU 50 N 0.36 3.48 -0.45 1.98 2.12 -0.68 0.30 118.70 125.81 2yr1 s GLU 50 Ca -0.17 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 54.39 2yr1 s GLU 50 Cb -0.17 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.21 2yr1 s GLU 50 CO 0.08 -0.11 0.55 -0.46 -0.54 0.00 0.00 175.26 174.77 2yr1 s TRP 51 N 1.29 3.11 -1.08 5.30 -0.00 0.81 -0.55 118.94 127.82 2yr1 s TRP 51 Ca 0.04 -0.32 -0.21 0.00 -0.00 0.00 0.00 56.10 55.60 2yr1 s TRP 51 Cb -0.14 -3.21 0.07 0.00 -0.00 0.00 0.00 33.47 30.19 2yr1 s TRP 51 CO -0.00 -0.84 1.47 1.03 -0.00 0.00 0.00 176.95 178.61 2yr1 s ARG 52 N 2.47 3.71 0.03 5.86 1.81 -0.50 -1.53 118.95 130.80 2yr1 s ARG 52 Ca 0.16 -1.49 0.14 0.00 -1.72 0.00 0.00 55.73 52.82 2yr1 s ARG 52 Cb -0.17 -5.33 0.61 0.00 -0.45 0.00 0.00 34.95 29.61 2yr1 s ARG 52 CO 0.15 -2.14 1.45 0.00 -0.68 0.00 0.00 175.30 174.08 2yr1 n ALA 53 N 8.28 1.59 0.43 2.13 0.00 0.62 -3.11 120.51 130.46 2yr1 n ALA 53 Ca 0.36 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.84 2yr1 n ALA 53 Cb 0.49 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 19.01 2yr1 n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yr1 n ASP 54 N -1.59 0.06 0.04 0.00 5.75 -1.25 -1.50 116.55 118.07 2yr1 n ASP 54 Ca 0.03 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 2yr1 n ASP 54 Cb 0.16 -0.53 0.17 0.00 -1.03 0.00 0.00 41.12 39.89 2yr1 n ASP 54 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2yr1 n PHE 55 N -1.57 0.36 -1.96 2.11 3.01 -1.18 -4.56 117.46 113.66 2yr1 n PHE 55 Ca 0.03 0.11 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 2yr1 n PHE 55 Cb 0.16 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.08 2yr1 n PHE 55 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2yr1 s PHE 56 N -3.13 1.87 0.15 1.38 5.36 -0.56 -4.41 117.98 118.64 2yr1 s PHE 56 Ca 0.07 0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 56.11 2yr1 s PHE 56 Cb 0.15 -3.97 0.03 0.00 -0.34 0.00 0.00 43.02 38.88 2yr1 s PHE 56 CO 0.73 -3.87 1.72 -0.09 -1.46 0.00 0.00 175.22 172.25 2yr1 h ARG 57 N 10.29 0.68 -1.33 10.12 2.43 -1.46 -2.80 114.38 132.31 2yr1 h ARG 57 Ca -0.39 -0.11 -0.22 0.00 -0.81 0.00 0.00 59.98 58.45 2yr1 h ARG 57 Cb 1.18 -0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.50 2yr1 h ARG 57 CO 0.96 0.59 0.28 0.00 -1.51 0.00 0.00 179.97 180.30 2yr1 n ALA 58 N -2.31 4.28 0.32 2.80 0.00 -1.26 -4.45 120.51 119.89 2yr1 n ALA 58 Ca 0.01 -1.17 0.20 0.00 0.00 0.00 0.00 53.44 52.48 2yr1 n ALA 58 Cb 0.12 -1.23 1.07 0.00 0.00 0.00 0.00 19.45 19.42 2yr1 n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2yr1 h ILE 59 N 0.70 0.13 -0.48 0.00 2.10 -1.84 -0.70 117.51 117.42 2yr1 h ILE 59 Ca 0.23 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 66.06 2yr1 h ILE 59 Cb 1.29 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2yr1 h ILE 59 CO 0.50 0.01 0.00 -0.67 -1.08 0.00 0.00 178.15 176.91 2yr1 n ASP 60 N -3.25 3.51 -4.01 2.19 2.03 -1.26 -4.56 116.55 111.20 2yr1 n ASP 60 Ca -0.02 -2.29 -0.33 0.00 0.52 0.00 0.00 54.79 52.67 2yr1 n ASP 60 Cb 0.11 -0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.92 2yr1 n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2yr1 s ASP 61 N -0.80 4.70 0.30 1.67 -1.08 -0.27 -4.99 116.67 116.20 2yr1 s ASP 61 Ca 0.37 -2.93 0.06 0.00 -0.52 0.00 0.00 52.55 49.53 2yr1 s ASP 61 Cb 0.23 -1.73 0.80 0.00 -1.46 0.00 0.00 42.92 40.77 2yr1 s ASP 61 CO 0.18 -0.29 1.70 -0.61 0.52 0.00 0.00 175.17 176.67 2yr1 h GLN 62 N 6.74 0.40 -0.72 4.34 4.15 -1.82 -1.28 115.11 126.92 2yr1 h GLN 62 Ca -0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2yr1 h GLN 62 Cb 0.92 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2yr1 h GLN 62 CO 0.69 0.27 0.28 1.49 -1.93 0.00 0.00 178.83 179.63 2yr1 h GLU 63 N 0.42 1.09 -0.39 1.69 4.57 -1.94 -1.34 114.58 118.67 2yr1 h GLU 63 Ca 0.60 -0.20 -0.14 0.00 -1.18 0.00 0.00 59.36 58.43 2yr1 h GLU 63 Cb 1.17 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2yr1 h GLU 63 CO -0.54 0.90 -0.32 0.00 -1.18 0.00 0.00 179.01 177.87 2yr1 h ARG 64 N 1.04 0.88 -0.55 1.92 3.08 -1.57 -0.85 114.38 118.34 2yr1 h ARG 64 Ca 0.24 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 2yr1 h ARG 64 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2yr1 h ARG 64 CO -0.02 1.07 0.06 0.28 -1.07 0.00 0.00 179.97 180.29 2yr1 h VAL 65 N 0.74 1.25 -0.24 2.04 2.07 -1.22 -0.13 116.25 120.76 2yr1 h VAL 65 Ca 0.08 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 2yr1 h VAL 65 Cb 0.89 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2yr1 h VAL 65 CO 0.08 0.36 -0.21 -0.07 0.02 0.00 0.00 177.57 177.74 2yr1 h LEU 66 N 0.84 0.60 -0.94 2.57 3.38 -1.11 -0.47 115.31 120.18 2yr1 h LEU 66 Ca 0.17 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2yr1 h LEU 66 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2yr1 h LEU 66 CO 0.01 0.94 0.22 0.00 0.09 0.00 0.00 178.44 179.70 2yr1 h ALA 67 N 0.68 1.15 -0.43 1.53 0.00 -0.93 0.06 119.26 121.32 2yr1 h ALA 67 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2yr1 h ALA 67 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2yr1 h ALA 67 CO 0.05 0.59 -0.14 1.15 0.00 0.00 0.00 179.25 180.91 2yr1 h THR 68 N 0.96 1.28 -0.88 0.00 2.02 -0.91 -0.88 112.91 114.49 2yr1 h THR 68 Ca 0.22 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2yr1 h THR 68 Cb 0.25 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2yr1 h THR 68 CO -0.01 0.43 0.46 0.00 0.37 0.00 0.00 175.52 176.76 2yr1 h ALA 69 N 0.85 1.13 -0.71 6.16 0.00 -0.62 0.96 119.26 127.03 2yr1 h ALA 69 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2yr1 h ALA 69 Cb 0.68 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2yr1 h ALA 69 CO 0.05 0.66 0.22 -0.97 0.00 0.00 0.00 179.25 179.21 2yr1 h ASN 70 N 1.24 1.03 -0.75 0.00 -0.73 -0.83 -1.32 115.58 114.22 2yr1 h ASN 70 Ca 0.31 -0.21 -0.05 0.00 1.87 0.00 0.00 56.30 58.21 2yr1 h ASN 70 Cb 0.06 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 2yr1 h ASN 70 CO -0.04 0.97 0.26 1.23 -0.37 0.00 0.00 177.43 179.47 2yr1 h GLY 71 N 1.04 1.24 1.24 1.57 0.00 -0.26 -2.65 103.07 105.25 2yr1 h GLY 71 Ca 0.23 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 2yr1 h GLY 71 CO -0.01 0.66 0.11 1.41 0.00 0.00 0.00 176.54 178.72 2yr1 h LEU 72 N 1.11 0.89 -0.93 3.11 3.38 -0.43 -2.50 115.31 119.94 2yr1 h LEU 72 Ca 0.25 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2yr1 h LEU 72 Cb 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2yr1 h LEU 72 CO -0.01 0.89 0.61 -0.09 0.09 0.00 0.00 178.44 179.93 2yr1 h ARG 73 N 0.90 1.16 -0.17 1.13 9.65 -0.90 0.22 114.38 126.37 2yr1 h ARG 73 Ca 0.19 -0.07 -0.16 0.00 -1.10 0.00 0.00 59.98 58.84 2yr1 h ARG 73 Cb 0.37 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2yr1 h ARG 73 CO 0.01 0.77 -0.56 -0.91 2.80 0.00 0.00 179.97 182.08 2yr1 h ASN 74 N 1.20 0.56 -0.23 -3.80 -0.26 -1.28 -1.75 115.58 110.02 2yr1 h ASN 74 Ca 0.36 -0.30 -0.16 0.00 -0.56 0.00 0.00 56.30 55.64 2yr1 h ASN 74 Cb -0.04 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.06 2yr1 h ASN 74 CO -0.11 1.00 -0.48 0.40 -1.06 0.00 0.00 177.43 177.18 2yr1 h ILE 75 N 0.39 1.30 -0.05 2.81 2.04 -1.01 -3.21 117.51 119.78 2yr1 h ILE 75 Ca 0.01 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.10 2yr1 h ILE 75 Cb 1.09 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2yr1 h ILE 75 CO 0.10 0.54 -0.32 0.00 0.00 0.00 0.00 178.15 178.47 2yr1 h ALA 76 N 0.62 1.37 -0.83 1.87 0.00 -0.52 -3.47 119.26 118.30 2yr1 h ALA 76 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2yr1 h ALA 76 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2yr1 h ALA 76 CO 0.11 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2yr1 n GLY 77 N -0.53 1.19 0.02 0.00 0.00 -0.66 -1.55 105.19 103.65 2yr1 n GLY 77 Ca -0.02 0.35 0.11 0.00 0.00 0.00 0.00 46.02 46.46 2yr1 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yr1 n GLU 78 N 0.00 0.16 -2.08 1.61 1.02 -1.26 -4.90 120.64 115.19 2yr1 n GLU 78 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2yr1 n GLU 78 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 2yr1 n GLU 78 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2yr1 s ILE 79 N -3.11 3.56 0.50 -3.67 1.01 -0.60 -4.91 121.20 113.98 2yr1 s ILE 79 Ca 0.07 0.83 -0.23 0.00 0.00 0.00 0.00 60.65 61.32 2yr1 s ILE 79 Cb 0.15 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 2yr1 s ILE 79 CO 0.78 -0.04 1.34 -2.84 0.00 0.00 0.00 174.94 174.17 2yr1 s PRO 80 N 3.26 3.42 -0.13 2.79 0.02 -1.26 -4.80 135.00 138.30 2yr1 s PRO 80 Ca 0.69 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.90 2yr1 s PRO 80 Cb -0.33 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 2yr1 s PRO 80 CO 0.28 -0.95 -0.11 0.42 -0.33 0.00 0.00 177.00 176.31 2yr1 s ILE 81 N -1.32 3.20 -0.22 2.83 1.01 -1.26 -1.27 121.20 124.17 2yr1 s ILE 81 Ca 0.67 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2yr1 s ILE 81 Cb -0.39 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2yr1 s ILE 81 CO 0.48 0.52 0.07 -0.22 0.00 0.00 0.00 174.94 175.79 2yr1 s LEU 82 N 0.36 3.61 -0.31 2.97 2.96 0.15 -1.07 118.68 127.36 2yr1 s LEU 82 Ca -0.10 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 2yr1 s LEU 82 Cb -0.16 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2yr1 s LEU 82 CO 0.05 0.05 0.21 0.12 -1.32 0.00 0.00 176.35 175.46 2yr1 s PHE 83 N 1.12 3.22 -0.07 5.38 5.36 0.01 -0.13 117.98 132.87 2yr1 s PHE 83 Ca 0.04 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 2yr1 s PHE 83 Cb -0.14 -2.42 0.02 0.00 -0.34 0.00 0.00 43.02 40.14 2yr1 s PHE 83 CO 0.03 -0.26 -0.10 0.99 -1.46 0.00 0.00 175.22 174.42 2yr1 s THR 84 N 1.73 1.01 -0.51 0.12 2.01 -0.58 -1.65 115.64 117.77 2yr1 s THR 84 Ca 0.06 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2yr1 s THR 84 Cb -0.17 -0.96 0.13 0.00 0.01 0.00 0.00 72.50 71.51 2yr1 s THR 84 CO 0.10 0.34 0.28 -0.63 -0.69 0.00 0.00 174.62 174.02 2yr1 s ILE 85 N 0.99 2.97 0.02 1.82 1.01 -1.26 -0.28 121.20 126.47 2yr1 s ILE 85 Ca -0.09 -2.93 -0.30 0.00 0.00 0.00 0.00 60.65 57.33 2yr1 s ILE 85 Cb -0.15 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 2yr1 s ILE 85 CO -0.00 -0.78 1.49 -0.60 0.00 0.00 0.00 174.94 175.05 2yr1 s ARG 86 N 0.11 4.25 0.60 2.79 6.06 -1.26 -4.92 118.95 126.59 2yr1 s ARG 86 Ca 0.15 2.10 -0.18 0.00 -2.50 0.00 0.00 55.73 55.30 2yr1 s ARG 86 Cb -0.23 -3.59 -0.03 0.00 0.06 0.00 0.00 34.95 31.17 2yr1 s ARG 86 CO -0.03 -0.64 1.15 -1.54 -2.50 0.00 0.00 175.30 171.75 2yr1 s SER 87 N 2.09 5.28 0.33 -2.12 1.04 -1.26 -4.16 113.70 114.89 2yr1 s SER 87 Ca 0.67 2.20 0.03 0.00 0.48 0.00 0.00 55.95 59.33 2yr1 s SER 87 Cb -0.34 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 63.76 2yr1 s SER 87 CO 0.28 -1.52 1.88 -0.08 0.98 0.00 0.00 173.24 174.78 2yr1 h GLU 88 N 0.66 0.63 0.00 4.02 4.22 -1.78 0.11 114.58 122.44 2yr1 h GLU 88 Ca -0.49 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 58.83 2yr1 h GLU 88 Cb 1.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2yr1 h GLU 88 CO 0.55 0.59 0.00 2.89 -2.18 0.00 0.00 179.01 180.86 2yr1 n ARG 89 N -4.30 0.06 -1.43 1.92 1.85 -1.26 -2.37 116.66 111.13 2yr1 n ARG 89 Ca 0.02 0.36 -0.11 0.00 -1.00 0.00 0.00 57.85 57.12 2yr1 n ARG 89 Cb 0.22 -1.62 0.10 0.00 -1.05 0.00 0.00 32.46 30.11 2yr1 n ARG 89 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2yr1 n GLU 90 N -1.73 2.70 -0.58 2.89 1.02 -0.71 -4.95 120.64 119.27 2yr1 n GLU 90 Ca 0.02 -3.77 0.00 0.00 -0.02 0.00 0.00 57.16 53.39 2yr1 n GLU 90 Cb 0.15 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2yr1 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yr1 n GLY 91 N -0.87 0.76 3.92 0.62 0.00 -1.00 -4.80 105.19 103.83 2yr1 n GLY 91 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2yr1 n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yr1 s GLY 92 N -1.74 1.65 0.43 -0.02 0.00 -0.06 -4.97 107.32 102.61 2yr1 s GLY 92 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.69 2yr1 s GLY 92 CO 0.00 -0.44 1.19 1.20 0.00 0.00 0.00 173.10 175.06 2yr1 s GLN 93 N -5.14 3.87 0.44 2.90 -1.52 -1.26 -4.17 119.66 114.78 2yr1 s GLN 93 Ca 0.57 1.87 -0.25 0.00 -1.95 0.00 0.00 55.36 55.61 2yr1 s GLN 93 Cb -0.11 -2.55 -0.08 0.00 -0.22 0.00 0.00 33.01 30.05 2yr1 s GLN 93 CO 0.45 -0.48 1.32 -2.14 -0.25 0.00 0.00 175.29 174.19 2yr1 s PRO 94 N -2.49 3.79 0.06 2.91 0.02 -1.26 -4.45 135.00 133.58 2yr1 s PRO 94 Ca 0.60 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.83 2yr1 s PRO 94 Cb -0.31 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.54 2yr1 s PRO 94 CO 0.39 -0.65 -0.10 0.96 -0.33 0.00 0.00 177.00 177.27 2yr1 s ILE 95 N -1.28 0.77 -0.14 2.83 -4.36 -1.26 -4.99 121.20 112.77 2yr1 s ILE 95 Ca 0.60 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 2yr1 s ILE 95 Cb -0.38 -0.87 0.00 0.00 1.25 0.00 0.00 42.46 42.46 2yr1 s ILE 95 CO 0.49 -0.36 0.87 -0.81 0.24 0.00 0.00 174.94 175.36 2yr1 n PRO 96 N 1.26 0.94 -4.18 0.37 -0.04 -1.26 -4.87 135.00 127.22 2yr1 n PRO 96 Ca -0.21 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.11 2yr1 n PRO 96 Cb 0.55 -1.09 -0.11 0.00 -0.04 0.00 0.00 33.50 32.81 2yr1 n PRO 96 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2yr1 s LEU 97 N 0.00 2.43 1.08 1.53 2.34 -1.26 -4.99 118.68 119.82 2yr1 s LEU 97 Ca 0.00 -0.86 -0.17 0.00 0.06 0.00 0.00 54.13 53.17 2yr1 s LEU 97 Cb 0.00 -0.27 0.23 0.00 -0.56 0.00 0.00 46.19 45.59 2yr1 s LEU 97 CO 0.00 -0.30 1.15 0.20 -1.06 0.00 0.00 176.35 176.34 2yr1 s ASN 98 N -2.59 1.96 0.15 1.48 0.01 -1.26 -4.83 114.94 109.85 2yr1 s ASN 98 Ca 0.07 0.70 -0.11 0.00 -0.71 0.00 0.00 52.86 52.81 2yr1 s ASN 98 Cb -0.01 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.60 2yr1 s ASN 98 CO -0.01 -3.49 1.50 -0.08 -1.51 0.00 0.00 177.10 173.51 2yr1 h GLU 99 N -2.15 0.97 -0.11 -0.60 4.81 -2.01 -0.82 114.58 114.67 2yr1 h GLU 99 Ca -0.47 -0.48 -0.16 0.00 -0.13 0.00 0.00 59.36 58.12 2yr1 h GLU 99 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2yr1 h GLU 99 CO 0.43 1.14 -0.62 0.00 -0.73 0.00 0.00 179.01 179.23 2yr1 h ALA 100 N 0.80 0.74 -0.06 2.92 0.00 -2.00 -2.60 119.26 119.06 2yr1 h ALA 100 Ca 0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2yr1 h ALA 100 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2yr1 h ALA 100 CO 0.09 0.72 -0.55 0.93 0.00 0.00 0.00 179.25 180.44 2yr1 h GLU 101 N 0.28 0.19 -0.48 0.00 5.08 -1.85 -1.98 114.58 115.82 2yr1 h GLU 101 Ca -0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2yr1 h GLU 101 Cb 1.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2yr1 h GLU 101 CO 0.10 0.69 0.02 0.28 -1.00 0.00 0.00 179.01 179.11 2yr1 h VAL 102 N 0.15 1.26 -0.80 3.13 2.07 -1.04 -1.70 116.25 119.31 2yr1 h VAL 102 Ca -0.00 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 2yr1 h VAL 102 Cb 1.02 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2yr1 h VAL 102 CO 0.08 0.36 0.36 0.03 0.02 0.00 0.00 177.57 178.42 2yr1 h ARG 103 N 0.69 1.17 -0.51 1.57 3.08 -1.16 -0.16 114.38 119.06 2yr1 h ARG 103 Ca 0.14 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2yr1 h ARG 103 Cb 0.47 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2yr1 h ARG 103 CO 0.02 0.92 0.02 0.00 -1.07 0.00 0.00 179.97 179.86 2yr1 h ARG 104 N 1.15 0.85 -0.25 0.04 2.47 -1.20 -1.69 114.38 115.75 2yr1 h ARG 104 Ca 0.27 -0.23 -0.19 0.00 -1.26 0.00 0.00 59.98 58.57 2yr1 h ARG 104 Cb 0.16 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2yr1 h ARG 104 CO -0.03 0.84 -0.60 1.25 0.56 0.00 0.00 179.97 181.98 2yr1 h LEU 105 N 0.79 0.95 -0.92 3.04 5.85 -0.77 -2.14 115.31 122.12 2yr1 h LEU 105 Ca 0.16 -0.54 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 2yr1 h LEU 105 Cb 0.45 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2yr1 h LEU 105 CO 0.02 1.33 0.08 0.16 -0.34 0.00 0.00 178.44 179.69 2yr1 h ILE 106 N 0.63 1.24 -0.55 4.05 3.07 -0.88 -1.26 117.51 123.81 2yr1 h ILE 106 Ca -0.00 -0.93 -0.09 0.00 1.55 0.00 0.00 64.86 65.39 2yr1 h ILE 106 Cb 1.21 0.74 -0.02 0.00 -0.27 0.00 0.00 36.82 38.49 2yr1 h ILE 106 CO 0.13 0.34 0.00 -0.08 -1.05 0.00 0.00 178.15 177.49 2yr1 h GLU 107 N 0.82 0.97 -0.43 0.16 4.81 -1.21 0.59 114.58 120.30 2yr1 h GLU 107 Ca 0.17 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2yr1 h GLU 107 Cb 0.38 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2yr1 h GLU 107 CO 0.01 0.98 0.01 0.00 -0.73 0.00 0.00 179.01 179.28 2yr1 h ALA 108 N 0.96 1.22 -0.17 2.92 0.00 -0.99 -0.34 119.26 122.86 2yr1 h ALA 108 Ca 0.16 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2yr1 h ALA 108 Cb 0.54 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2yr1 h ALA 108 CO 0.03 0.52 -0.74 0.97 0.00 0.00 0.00 179.25 180.03 2yr1 h ILE 109 N 0.65 1.28 -0.63 0.00 6.09 -1.02 -2.74 117.51 121.14 2yr1 h ILE 109 Ca 0.13 -1.95 -0.02 0.00 -1.37 0.00 0.00 64.86 61.65 2yr1 h ILE 109 Cb 0.39 1.94 -0.03 0.00 0.47 0.00 0.00 36.82 39.59 2yr1 h ILE 109 CO 0.01 0.62 0.31 0.00 -3.07 0.00 0.00 178.15 176.02 2yr1 n ARG 111 N -4.50 0.14 0.18 0.00 1.74 -0.17 -2.90 116.66 111.14 2yr1 n ARG 111 Ca 0.04 0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.31 2yr1 n ARG 111 Cb 0.12 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.30 2yr1 n ARG 111 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2yr1 h SER 112 N 0.00 0.00 0.00 0.55 4.64 -1.08 -3.47 113.55 114.19 2yr1 h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yr1 h SER 112 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2yr1 h SER 112 CO 0.00 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2yr1 n GLY 113 N 0.63 0.90 0.16 -0.77 0.00 -1.14 -4.91 105.19 100.04 2yr1 n GLY 113 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2yr1 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yr1 h ALA 114 N 0.00 0.76 -2.01 4.61 0.00 -1.84 -3.47 119.26 117.31 2yr1 h ALA 114 Ca 0.00 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 2yr1 h ALA 114 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.58 2yr1 h ALA 114 CO 0.00 0.56 -0.70 0.96 0.00 0.00 0.00 179.25 180.07 2yr1 s ILE 115 N -3.13 2.25 -0.11 0.00 -5.25 -1.26 -4.61 121.20 109.08 2yr1 s ILE 115 Ca 0.03 -2.25 0.10 0.00 -0.99 0.00 0.00 60.65 57.55 2yr1 s ILE 115 Cb 0.08 -2.55 -0.14 0.00 2.95 0.00 0.00 42.46 42.80 2yr1 s ILE 115 CO 0.72 -0.25 0.04 0.47 -1.79 0.00 0.00 174.94 174.13 2yr1 n ASP 116 N -0.74 2.15 -4.04 4.36 8.00 -0.23 -4.92 116.55 121.14 2yr1 n ASP 116 Ca -0.05 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 2yr1 n ASP 116 Cb 0.63 0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 42.41 2yr1 n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yr1 s LEU 117 N -4.84 2.36 0.01 0.64 1.02 -0.77 -0.72 118.68 116.38 2yr1 s LEU 117 Ca -0.06 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.38 2yr1 s LEU 117 Cb 0.03 0.13 -0.01 0.00 0.02 0.00 0.00 46.19 46.36 2yr1 s LEU 117 CO 0.47 -0.44 -0.08 0.68 0.02 0.00 0.00 176.35 177.01 2yr1 s VAL 118 N -2.63 0.59 -0.13 -1.59 -7.23 -0.09 -0.81 120.40 108.51 2yr1 s VAL 118 Ca -0.05 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.47 2yr1 s VAL 118 Cb -0.01 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2yr1 s VAL 118 CO -0.05 -0.02 0.12 -0.62 -0.31 0.00 0.00 175.10 174.22 2yr1 s ASP 119 N -0.66 6.18 -0.04 4.85 -1.08 -0.66 -0.80 116.67 124.46 2yr1 s ASP 119 Ca -0.01 0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 52.36 2yr1 s ASP 119 Cb -0.05 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.43 2yr1 s ASP 119 CO 0.00 0.36 0.10 -0.47 0.52 0.00 0.00 175.17 175.68 2yr1 s TYR 120 N -0.72 -0.11 0.15 -5.34 5.04 -0.17 -4.68 117.35 111.52 2yr1 s TYR 120 Ca 0.13 0.31 -0.30 0.00 -2.44 0.00 0.00 57.07 54.77 2yr1 s TYR 120 Cb -0.12 -0.02 -0.07 0.00 0.35 0.00 0.00 41.96 42.11 2yr1 s TYR 120 CO 0.03 -0.08 1.04 -1.21 -1.34 0.00 0.00 175.55 173.99 2yr1 s GLU 121 N 0.43 4.64 0.32 4.97 2.02 -1.26 -2.16 118.70 127.66 2yr1 s GLU 121 Ca -0.03 1.61 0.05 0.00 0.02 0.00 0.00 54.97 56.61 2yr1 s GLU 121 Cb -0.05 -3.32 0.68 0.00 0.10 0.00 0.00 34.13 31.55 2yr1 s GLU 121 CO -0.02 0.13 1.87 1.25 0.02 0.00 0.00 175.26 178.51 2yr1 h LEU 122 N 5.35 0.79 -2.20 1.80 6.46 -0.92 -2.74 115.31 123.85 2yr1 h LEU 122 Ca -0.44 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2yr1 h LEU 122 Cb 1.21 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2yr1 h LEU 122 CO 0.72 0.43 -0.05 0.00 -0.62 0.00 0.00 178.44 178.92 2yr1 h ALA 123 N 1.57 1.49 0.00 1.25 0.00 -1.93 -1.96 119.26 119.68 2yr1 h ALA 123 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2yr1 h ALA 123 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yr1 h ALA 123 CO -0.21 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.76 2yr1 n TYR 124 N -3.86 0.00 0.00 0.00 4.01 -1.03 -4.87 117.16 111.40 2yr1 n TYR 124 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2yr1 n TYR 124 Cb 0.15 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2yr1 n TYR 124 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2yr1 n GLY 125 N -0.15 2.36 0.37 2.72 0.00 -0.74 -2.55 105.19 107.20 2yr1 n GLY 125 Ca 0.10 0.33 0.27 0.00 0.00 0.00 0.00 46.02 46.72 2yr1 n GLY 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2yr1 h GLU 126 N 0.00 0.25 0.00 1.61 4.11 -1.90 0.38 114.58 119.03 2yr1 h GLU 126 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2yr1 h GLU 126 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2yr1 h GLU 126 CO 0.00 0.17 0.00 0.54 0.07 0.00 0.00 179.01 179.79 2yr1 n ARG 127 N -4.93 0.07 0.10 1.06 5.12 -1.06 -1.52 116.66 115.51 2yr1 n ARG 127 Ca 0.33 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.26 2yr1 n ARG 127 Cb 1.09 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.93 2yr1 n ARG 127 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2yr1 h ILE 128 N 0.00 0.71 -0.61 0.55 2.04 -0.44 -3.33 117.51 116.42 2yr1 h ILE 128 Ca 0.00 -2.10 0.06 0.00 1.00 0.00 0.00 64.86 63.81 2yr1 h ILE 128 Cb 0.00 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 2yr1 h ILE 128 CO 0.00 0.41 0.33 0.00 0.00 0.00 0.00 178.15 178.88 2yr1 h ALA 129 N 1.49 0.81 -0.23 1.87 0.00 -1.47 -0.77 119.26 120.95 2yr1 h ALA 129 Ca -0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2yr1 h ALA 129 Cb 1.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2yr1 h ALA 129 CO 0.06 -0.01 -0.31 0.22 0.00 0.00 0.00 179.25 179.21 2yr1 h ASP 130 N 0.61 0.68 -0.59 0.00 3.58 -1.78 -2.37 116.42 116.54 2yr1 h ASP 130 Ca 0.27 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2yr1 h ASP 130 Cb 0.18 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2yr1 h ASP 130 CO -0.18 1.05 0.33 -0.37 -2.88 0.00 0.00 179.24 177.19 2yr1 h VAL 131 N 0.32 1.19 0.34 2.25 -1.51 -1.61 -1.30 116.25 115.92 2yr1 h VAL 131 Ca 0.03 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2yr1 h VAL 131 Cb 0.89 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2yr1 h VAL 131 CO 0.07 0.21 -0.16 -0.09 -1.23 0.00 0.00 177.57 176.37 2yr1 h ARG 132 N 0.86 -0.44 -0.45 5.19 1.12 -1.04 -0.71 114.38 118.91 2yr1 h ARG 132 Ca 0.22 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.16 2yr1 h ARG 132 Cb 0.03 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 2yr1 h ARG 132 CO -0.04 -0.14 0.21 0.00 -3.11 0.00 0.00 179.97 176.89 2yr1 h ARG 133 N -0.74 0.40 -0.51 0.20 -0.00 -1.32 -1.35 114.38 111.06 2yr1 h ARG 133 Ca -0.05 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.36 2yr1 h ARG 133 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.36 2yr1 h ARG 133 CO 0.08 0.27 0.14 0.52 0.00 0.00 0.00 179.97 180.97 2yr1 h MET 134 N 0.41 0.78 -0.10 0.04 2.86 -1.23 -2.52 114.93 115.17 2yr1 h MET 134 Ca 0.20 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 2yr1 h MET 134 Cb 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2yr1 h MET 134 CO -0.16 0.69 -0.55 1.79 1.06 0.00 0.00 176.91 179.75 2yr1 h THR 135 N 0.75 1.36 0.00 2.22 1.35 -0.60 -2.77 112.91 115.21 2yr1 h THR 135 Ca 0.17 -1.85 -0.05 0.00 -0.55 0.00 0.00 66.41 64.13 2yr1 h THR 135 Cb 0.26 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2yr1 h THR 135 CO -0.00 0.55 -0.23 -0.33 -0.25 0.00 0.00 175.52 175.26 2yr1 h GLU 136 N 0.23 0.00 0.00 4.72 5.08 -0.85 -1.01 114.58 122.75 2yr1 h GLU 136 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2yr1 h GLU 136 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2yr1 h GLU 136 CO 0.09 0.23 -0.67 0.93 -1.00 0.00 0.00 179.01 178.59 2yr1 h GLU 137 N 0.00 0.00 -0.07 2.33 5.08 -1.22 -3.14 114.58 117.56 2yr1 h GLU 137 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yr1 h GLU 137 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2yr1 h GLU 137 CO 0.03 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 2yr1 n SER 139 N 0.67 -4.17 -4.48 0.00 7.64 -0.69 -4.98 113.62 107.62 2yr1 n SER 139 Ca 0.17 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 59.07 2yr1 n SER 139 Cb 0.45 -4.66 -0.13 0.00 -1.01 0.00 0.00 64.21 58.86 2yr1 n SER 139 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2yr1 s VAL 140 N -3.38 3.25 0.26 0.44 1.01 -0.47 -4.97 120.40 116.54 2yr1 s VAL 140 Ca 0.37 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2yr1 s VAL 140 Cb -0.17 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 2yr1 s VAL 140 CO 0.76 0.57 0.85 0.26 0.00 0.00 0.00 175.10 177.55 2yr1 s TRP 141 N -0.47 3.74 -0.21 5.22 0.52 0.10 -4.39 118.94 123.44 2yr1 s TRP 141 Ca 0.06 1.65 -0.05 0.00 0.02 0.00 0.00 56.10 57.78 2yr1 s TRP 141 Cb -0.12 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.37 2yr1 s TRP 141 CO 0.02 0.32 -0.00 -1.17 0.02 0.00 0.00 176.95 176.13 2yr1 s LEU 142 N -1.82 3.18 -0.28 2.99 2.96 -1.26 -0.91 118.68 123.54 2yr1 s LEU 142 Ca 0.45 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2yr1 s LEU 142 Cb -0.19 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2yr1 s LEU 142 CO 0.24 0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.73 2yr1 s VAL 143 N 1.22 4.56 -0.25 1.68 1.01 0.02 -0.52 120.40 128.12 2yr1 s VAL 143 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2yr1 s VAL 143 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2yr1 s VAL 143 CO 0.01 0.22 0.07 -0.69 0.00 0.00 0.00 175.10 174.71 2yr1 s VAL 144 N 1.63 4.35 0.31 2.92 1.01 -0.22 -1.00 120.40 129.40 2yr1 s VAL 144 Ca 0.06 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2yr1 s VAL 144 Cb -0.16 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2yr1 s VAL 144 CO 0.06 0.34 -0.12 -0.94 0.00 0.00 0.00 175.10 174.44 2yr1 s SER 145 N 1.60 3.49 -0.17 3.32 1.04 -0.92 -0.84 113.70 121.22 2yr1 s SER 145 Ca 0.06 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.25 2yr1 s SER 145 Cb -0.15 -0.30 0.06 0.00 0.10 0.00 0.00 66.02 65.73 2yr1 s SER 145 CO 0.04 -0.17 0.41 -0.60 0.98 0.00 0.00 173.24 173.90 2yr1 s ARG 146 N -3.61 0.40 -0.05 4.02 6.06 0.14 -0.22 118.95 125.69 2yr1 s ARG 146 Ca 0.31 0.76 0.05 0.00 -2.50 0.00 0.00 55.73 54.35 2yr1 s ARG 146 Cb 0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 34.95 35.01 2yr1 s ARG 146 CO 0.15 -0.15 -0.19 -1.01 -2.50 0.00 0.00 175.30 171.60 2yr1 s HIS 147 N 1.29 1.95 -0.38 5.12 3.76 -1.26 -1.55 115.29 124.22 2yr1 s HIS 147 Ca -0.09 -0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2yr1 s HIS 147 Cb -0.08 -1.31 0.10 0.00 1.11 0.00 0.00 32.58 32.41 2yr1 s HIS 147 CO -0.11 -0.20 0.14 0.71 -0.85 0.00 0.00 174.74 174.42 2yr1 s TYR 148 N 0.04 3.62 -0.68 1.40 2.02 0.26 -4.91 117.35 119.09 2yr1 s TYR 148 Ca -0.05 -2.55 0.25 0.00 -0.37 0.00 0.00 57.07 54.34 2yr1 s TYR 148 Cb -0.13 -3.05 0.45 0.00 -0.40 0.00 0.00 41.96 38.83 2yr1 s TYR 148 CO 0.03 -0.95 1.42 1.19 -1.57 0.00 0.00 175.55 175.67 2yr1 n PHE 149 N 4.49 0.60 0.31 2.71 3.72 -1.26 -1.74 117.46 126.28 2yr1 n PHE 149 Ca -0.01 0.17 0.12 0.00 -0.05 0.00 0.00 57.45 57.68 2yr1 n PHE 149 Cb 0.42 -0.69 0.10 0.00 -0.94 0.00 0.00 39.48 38.37 2yr1 n PHE 149 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2yr1 h ASP 150 N 0.00 0.00 0.00 4.37 3.32 -1.93 -3.44 116.42 118.75 2yr1 h ASP 150 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2yr1 h ASP 150 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2yr1 h ASP 150 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2yr1 n GLY 151 N 1.23 -0.58 3.04 2.75 0.00 -1.25 -4.98 105.19 105.40 2yr1 n GLY 151 Ca 0.02 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2yr1 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yr1 s THR 152 N -3.30 1.89 1.04 2.61 2.01 -1.15 -2.27 115.64 116.46 2yr1 s THR 152 Ca 0.00 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 60.68 2yr1 s THR 152 Cb 0.00 -1.92 0.21 0.00 0.01 0.00 0.00 72.50 70.80 2yr1 s THR 152 CO 0.00 0.17 1.07 -2.84 -0.69 0.00 0.00 174.62 172.33 2yr1 s PRO 153 N 1.28 0.07 0.79 4.92 0.02 -1.26 -4.98 135.00 135.85 2yr1 s PRO 153 Ca -0.03 0.81 -0.11 0.00 0.02 0.00 0.00 61.00 61.69 2yr1 s PRO 153 Cb -0.17 -1.67 0.07 0.00 0.02 0.00 0.00 34.50 32.75 2yr1 s PRO 153 CO -0.08 -3.05 1.10 1.03 -0.33 0.00 0.00 177.00 175.67 2yr1 s ARG 154 N -4.72 2.10 0.26 5.54 0.52 -1.26 -4.81 118.95 116.58 2yr1 s ARG 154 Ca 0.66 1.25 -0.01 0.00 -0.52 0.00 0.00 55.73 57.11 2yr1 s ARG 154 Cb -0.21 -1.87 0.49 0.00 0.52 0.00 0.00 34.95 33.87 2yr1 s ARG 154 CO 0.60 -1.78 1.81 -0.22 0.02 0.00 0.00 175.30 175.73 2yr1 h LYS 155 N -1.16 0.79 -0.81 3.54 3.64 -1.93 -1.38 116.57 119.25 2yr1 h LYS 155 Ca -0.44 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2yr1 h LYS 155 Cb 1.24 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2yr1 h LYS 155 CO 0.50 0.53 0.43 1.05 -2.27 0.00 0.00 179.45 179.68 2yr1 h GLU 156 N 0.82 0.65 -0.46 1.90 4.11 -1.98 -0.23 114.58 119.39 2yr1 h GLU 156 Ca 0.45 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.72 2yr1 h GLU 156 Cb 0.49 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2yr1 h GLU 156 CO -0.28 0.43 -0.18 1.15 0.07 0.00 0.00 179.01 180.20 2yr1 h THR 157 N 0.67 1.27 -0.55 -1.06 2.02 -1.61 -1.32 112.91 112.33 2yr1 h THR 157 Ca 0.42 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 2yr1 h THR 157 Cb 0.50 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2yr1 h THR 157 CO -0.31 0.46 0.03 -0.07 0.37 0.00 0.00 175.52 176.00 2yr1 h LEU 158 N 0.77 0.92 -0.89 2.58 3.38 -1.06 -1.36 115.31 119.66 2yr1 h LEU 158 Ca 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2yr1 h LEU 158 Cb 0.75 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2yr1 h LEU 158 CO 0.06 0.98 0.35 -0.07 0.09 0.00 0.00 178.44 179.85 2yr1 h LEU 159 N 0.82 1.06 -0.45 1.67 4.07 -0.93 -2.29 115.31 119.26 2yr1 h LEU 159 Ca 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2yr1 h LEU 159 Cb 0.49 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2yr1 h LEU 159 CO 0.02 0.91 0.24 0.00 -1.08 0.00 0.00 178.44 178.53 2yr1 h ALA 160 N 1.24 0.57 -0.27 1.53 0.00 -0.93 -0.93 119.26 120.48 2yr1 h ALA 160 Ca 0.27 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2yr1 h ALA 160 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2yr1 h ALA 160 CO -0.03 0.10 0.05 -0.44 0.00 0.00 0.00 179.25 178.94 2yr1 h ASP 161 N 0.58 0.02 -0.35 0.00 3.32 -0.86 0.26 116.42 119.39 2yr1 h ASP 161 Ca 0.16 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2yr1 h ASP 161 Cb 0.06 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2yr1 h ASP 161 CO -0.02 0.04 -0.10 0.24 -1.72 0.00 0.00 179.24 177.68 2yr1 h MET 162 N 0.16 0.78 -0.28 3.56 2.86 -1.23 0.15 114.93 120.93 2yr1 h MET 162 Ca 0.12 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2yr1 h MET 162 Cb 0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2yr1 h MET 162 CO -0.16 0.85 0.03 0.00 1.06 0.00 0.00 176.91 178.70 2yr1 h ARG 163 N 0.71 0.46 0.08 1.72 3.08 -0.79 -1.91 114.38 117.73 2yr1 h ARG 163 Ca 0.12 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2yr1 h ARG 163 Cb 0.58 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 2yr1 h ARG 163 CO 0.04 0.59 -0.42 1.96 -1.07 0.00 0.00 179.97 181.06 2yr1 h GLN 164 N 0.27 -0.61 -0.60 0.04 4.20 -0.13 -0.10 115.11 118.19 2yr1 h GLN 164 Ca 0.08 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.95 2yr1 h GLN 164 Cb 0.36 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.16 2yr1 h GLN 164 CO 0.01 -0.40 -0.17 0.00 -0.67 0.00 0.00 178.83 177.60 2yr1 h ALA 165 N -0.14 0.35 -0.67 3.87 0.00 -0.55 0.17 119.26 122.30 2yr1 h ALA 165 Ca 0.03 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2yr1 h ALA 165 Cb 0.67 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2yr1 h ALA 165 CO -0.26 -0.45 0.28 1.49 0.00 0.00 0.00 179.25 180.30 2yr1 h GLU 166 N -0.02 0.99 -0.49 0.00 4.81 -0.96 -2.18 114.58 116.73 2yr1 h GLU 166 Ca 0.28 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2yr1 h GLU 166 Cb 0.45 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2yr1 h GLU 166 CO -0.62 0.82 0.32 -0.09 -0.73 0.00 0.00 179.01 178.71 2yr1 h ARG 167 N 0.94 0.50 0.00 1.92 2.43 0.52 -0.00 114.38 120.70 2yr1 h ARG 167 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2yr1 h ARG 167 Cb 0.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2yr1 h ARG 167 CO -0.02 0.33 0.00 0.66 -1.51 0.00 0.00 179.97 179.43 2yr1 n TYR 168 N -4.47 0.00 0.00 2.20 0.53 -0.11 -4.89 117.16 110.42 2yr1 n TYR 168 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 2yr1 n TYR 168 Cb 0.17 -0.21 0.00 0.00 -1.03 0.00 0.00 39.34 38.26 2yr1 n TYR 168 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2yr1 n GLY 169 N 0.74 0.64 3.61 2.72 0.00 -0.01 -4.80 105.19 108.07 2yr1 n GLY 169 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2yr1 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yr1 n ALA 170 N -1.97 0.09 0.02 4.61 0.00 -1.03 -4.91 120.51 117.33 2yr1 n ALA 170 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2yr1 n ALA 170 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 2yr1 n ALA 170 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yr1 n ASP 171 N -0.68 0.85 -3.76 0.00 8.00 0.33 -4.78 116.55 116.52 2yr1 n ASP 171 Ca 0.14 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.89 2yr1 n ASP 171 Cb 0.47 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.58 2yr1 n ASP 171 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yr1 s ILE 172 N -2.87 -0.02 -0.17 0.53 1.01 -0.93 -3.94 121.20 114.81 2yr1 s ILE 172 Ca -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 2yr1 s ILE 172 Cb 0.09 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2yr1 s ILE 172 CO 0.81 0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.88 2yr1 s ALA 173 N 0.76 3.57 -0.07 9.38 0.00 -1.03 -1.05 121.76 133.32 2yr1 s ALA 173 Ca -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2yr1 s ALA 173 Cb -0.07 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2yr1 s ALA 173 CO -0.05 0.29 -0.20 0.21 0.00 0.00 0.00 175.76 176.02 2yr1 s LYS 174 N -0.01 2.32 -0.03 0.00 2.20 -0.02 -0.97 119.74 123.23 2yr1 s LYS 174 Ca 0.08 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2yr1 s LYS 174 Cb -0.12 -1.88 0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2yr1 s LYS 174 CO 0.00 0.20 0.07 0.54 -0.36 0.00 0.00 175.35 175.80 2yr1 s VAL 175 N 0.24 -0.06 0.01 4.02 0.11 -0.36 -0.69 120.40 123.68 2yr1 s VAL 175 Ca -0.11 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 2yr1 s VAL 175 Cb -0.15 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2yr1 s VAL 175 CO 0.05 0.09 -0.18 0.00 -3.33 0.00 0.00 175.10 171.73 2yr1 s ALA 176 N 1.12 1.49 0.13 1.54 0.00 -0.60 -2.51 121.76 122.93 2yr1 s ALA 176 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2yr1 s ALA 176 Cb -0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2yr1 s ALA 176 CO -0.04 0.34 -0.05 0.14 0.00 0.00 0.00 175.76 176.15 2yr1 s VAL 177 N -0.60 0.77 -0.33 0.00 -7.23 -0.84 -0.58 120.40 111.59 2yr1 s VAL 177 Ca 0.06 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2yr1 s VAL 177 Cb -0.07 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 35.05 2yr1 s VAL 177 CO 0.00 -0.72 0.07 -0.32 -0.31 0.00 0.00 175.10 173.83 2yr1 s MET 178 N -3.85 2.54 0.36 4.82 1.75 -0.71 0.00 119.30 124.22 2yr1 s MET 178 Ca 0.17 -1.23 -0.25 0.00 -1.25 0.00 0.00 55.69 53.13 2yr1 s MET 178 Cb 0.05 -3.37 -0.09 0.00 2.84 0.00 0.00 34.83 34.26 2yr1 s MET 178 CO -0.01 -0.66 1.04 -1.25 -0.65 0.00 0.00 175.02 173.49 2yr1 s PRO 179 N 1.34 4.34 0.00 4.11 0.04 -1.26 -2.95 135.00 140.62 2yr1 s PRO 179 Ca -0.03 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.59 2yr1 s PRO 179 Cb -0.20 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.66 2yr1 s PRO 179 CO 0.01 0.01 0.60 1.63 0.04 0.00 0.00 177.00 179.29 2yr1 n LYS 180 N 0.29 0.47 -3.64 4.56 5.02 -1.26 -4.93 118.16 118.68 2yr1 n LYS 180 Ca 0.03 -0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 55.55 2yr1 n LYS 180 Cb 0.49 -1.05 -0.02 0.00 -0.02 0.00 0.00 35.03 34.43 2yr1 n LYS 180 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2yr1 s SER 181 N -0.55 -0.33 0.51 4.39 1.04 -1.26 -5.01 113.70 112.48 2yr1 s SER 181 Ca 0.05 -0.25 0.18 0.00 0.48 0.00 0.00 55.95 56.41 2yr1 s SER 181 Cb 0.04 0.53 1.28 0.00 0.10 0.00 0.00 66.02 67.97 2yr1 s SER 181 CO 0.08 -0.93 2.12 -0.65 0.98 0.00 0.00 173.24 174.83 2yr1 h PRO 182 N 2.00 0.00 -0.79 4.02 0.11 -1.96 -1.77 132.00 133.61 2yr1 h PRO 182 Ca -0.25 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.87 2yr1 h PRO 182 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2yr1 h PRO 182 CO 0.29 0.06 0.52 0.93 -0.21 0.00 0.00 178.00 179.59 2yr1 h GLU 183 N 0.00 1.03 -0.17 1.05 3.07 -2.00 -1.43 114.58 116.14 2yr1 h GLU 183 Ca -0.00 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 2yr1 h GLU 183 Cb 0.10 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2yr1 h GLU 183 CO 0.01 0.68 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.61 2yr1 h ASP 184 N 1.06 0.30 -0.61 1.42 3.32 -1.72 -1.73 116.42 118.47 2yr1 h ASP 184 Ca 0.29 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2yr1 h ASP 184 Cb -0.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2yr1 h ASP 184 CO -0.07 0.56 0.01 0.58 -1.72 0.00 0.00 179.24 178.61 2yr1 h VAL 185 N 0.27 1.27 -0.55 -1.35 2.07 -1.19 -2.27 116.25 114.50 2yr1 h VAL 185 Ca 0.04 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 2yr1 h VAL 185 Cb 0.60 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2yr1 h VAL 185 CO 0.04 0.42 -0.10 -0.07 0.02 0.00 0.00 177.57 177.87 2yr1 h LEU 186 N 0.98 1.04 -0.62 2.57 3.38 -1.12 -2.25 115.31 119.29 2yr1 h LEU 186 Ca 0.18 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2yr1 h LEU 186 Cb 0.54 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2yr1 h LEU 186 CO 0.03 1.15 0.36 0.58 0.09 0.00 0.00 178.44 180.64 2yr1 h VAL 187 N 0.92 1.01 -0.48 1.22 2.07 -1.06 0.21 116.25 120.14 2yr1 h VAL 187 Ca 0.14 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2yr1 h VAL 187 Cb 0.68 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2yr1 h VAL 187 CO 0.05 0.12 0.20 0.25 0.02 0.00 0.00 177.57 178.21 2yr1 h LEU 188 N 0.68 0.66 -0.78 2.57 5.85 -1.22 0.29 115.31 123.36 2yr1 h LEU 188 Ca 0.26 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2yr1 h LEU 188 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2yr1 h LEU 188 CO -0.14 0.64 0.17 -0.07 -0.34 0.00 0.00 178.44 178.69 2yr1 h LEU 189 N 0.63 1.03 -0.51 2.25 3.38 -0.84 -0.95 115.31 120.29 2yr1 h LEU 189 Ca 0.16 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2yr1 h LEU 189 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2yr1 h LEU 189 CO -0.01 0.99 -0.13 1.56 0.09 0.00 0.00 178.44 180.93 2yr1 h GLN 190 N 1.03 0.99 -0.56 1.13 4.20 -0.30 0.96 115.11 122.56 2yr1 h GLN 190 Ca 0.22 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2yr1 h GLN 190 Cb 0.36 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2yr1 h GLN 190 CO 0.00 1.06 0.17 0.00 -0.67 0.00 0.00 178.83 179.39 2yr1 h ALA 191 N 0.90 0.73 -0.38 3.87 0.00 -0.75 -0.66 119.26 122.96 2yr1 h ALA 191 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2yr1 h ALA 191 Cb 0.70 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2yr1 h ALA 191 CO 0.05 0.39 0.22 1.15 0.00 0.00 0.00 179.25 181.06 2yr1 h THR 192 N 0.77 1.14 -0.28 0.00 2.02 -0.88 0.24 112.91 115.92 2yr1 h THR 192 Ca 0.18 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2yr1 h THR 192 Cb 0.28 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2yr1 h THR 192 CO -0.01 0.14 0.17 -0.08 0.37 0.00 0.00 175.52 176.11 2yr1 h GLU 193 N 0.49 0.39 -0.49 6.66 4.57 -0.51 -1.17 114.58 124.52 2yr1 h GLU 193 Ca 0.14 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2yr1 h GLU 193 Cb 0.04 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2yr1 h GLU 193 CO -0.02 0.31 0.16 1.49 -1.18 0.00 0.00 179.01 179.77 2yr1 h GLU 194 N 0.35 0.75 -0.24 1.92 4.81 -0.98 -2.82 114.58 118.39 2yr1 h GLU 194 Ca 0.10 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2yr1 h GLU 194 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2yr1 h GLU 194 CO -0.02 0.71 -0.14 0.00 -0.73 0.00 0.00 179.01 178.83 2yr1 h ALA 195 N 1.01 1.32 0.00 2.92 0.00 -0.80 -2.39 119.26 121.32 2yr1 h ALA 195 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2yr1 h ALA 195 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2yr1 h ALA 195 CO -0.01 0.46 -0.21 -0.09 0.00 0.00 0.00 179.25 179.40 2yr1 h ARG 196 N 0.37 0.00 0.00 0.00 2.43 -0.96 0.30 114.38 116.53 2yr1 h ARG 196 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2yr1 h ARG 196 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2yr1 h ARG 196 CO 0.03 0.21 -0.53 0.00 -1.51 0.00 0.00 179.97 178.16 2yr1 h ARG 197 N 0.00 0.00 0.00 0.20 3.08 -1.34 -3.38 114.38 112.94 2yr1 h ARG 197 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2yr1 h ARG 197 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 2yr1 h ARG 197 CO 0.03 0.00 -2.38 -1.91 -1.07 0.00 0.00 179.97 174.63 2yr1 n GLU 198 N -2.74 0.73 -3.72 0.04 2.13 -0.90 -5.01 120.64 111.17 2yr1 n GLU 198 Ca 0.02 0.03 -0.23 0.00 0.66 0.00 0.00 57.16 57.64 2yr1 n GLU 198 Cb 0.52 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 2yr1 n GLU 198 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2yr1 s LEU 199 N -5.72 4.20 0.00 4.31 1.43 0.05 -5.02 118.68 117.92 2yr1 s LEU 199 Ca -0.16 0.26 0.22 0.00 -1.03 0.00 0.00 54.13 53.42 2yr1 s LEU 199 Cb 0.07 -3.07 0.54 0.00 0.03 0.00 0.00 46.19 43.76 2yr1 s LEU 199 CO 0.75 -0.14 1.46 0.00 0.23 0.00 0.00 176.35 178.66 2yr1 n ALA 200 N -1.37 2.38 -2.44 4.21 0.00 -1.26 -4.84 120.51 117.19 2yr1 n ALA 200 Ca -0.07 -1.17 -0.24 0.00 0.00 0.00 0.00 53.44 51.96 2yr1 n ALA 200 Cb 0.56 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 2yr1 n ALA 200 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2yr1 s ILE 201 N -1.18 2.11 0.65 0.00 -4.36 -1.26 -4.51 121.20 112.65 2yr1 s ILE 201 Ca 0.43 -2.03 -0.17 0.00 -0.26 0.00 0.00 60.65 58.62 2yr1 s ILE 201 Cb 0.24 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.92 2yr1 s ILE 201 CO 0.32 -0.25 1.19 -2.16 0.24 0.00 0.00 174.94 174.27 2yr1 s PRO 202 N -2.85 2.67 0.12 0.37 0.04 -1.25 -4.85 135.00 129.24 2yr1 s PRO 202 Ca 0.20 1.73 0.10 0.00 0.04 0.00 0.00 61.00 63.07 2yr1 s PRO 202 Cb -0.06 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2yr1 s PRO 202 CO 0.09 -1.42 -0.23 -0.51 0.04 0.00 0.00 177.00 174.97 2yr1 s LEU 203 N -4.56 2.50 -0.21 -3.56 1.43 -1.26 -2.45 118.68 110.57 2yr1 s LEU 203 Ca 0.75 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2yr1 s LEU 203 Cb -0.28 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.62 2yr1 s LEU 203 CO 0.38 0.18 -0.02 -0.63 0.23 0.00 0.00 176.35 176.50 2yr1 s ILE 204 N -1.09 1.11 0.13 -0.59 1.01 -0.14 0.48 121.20 122.11 2yr1 s ILE 204 Ca 0.16 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2yr1 s ILE 204 Cb -0.10 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2yr1 s ILE 204 CO 0.08 -0.13 -0.14 0.42 0.00 0.00 0.00 174.94 175.17 2yr1 s THR 205 N 1.59 1.39 -0.17 2.92 -4.23 -1.26 -1.22 115.64 114.66 2yr1 s THR 205 Ca -0.04 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 2yr1 s THR 205 Cb -0.18 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.16 2yr1 s THR 205 CO -0.07 -0.43 0.84 0.00 -0.54 0.00 0.00 174.62 174.42 2yr1 s MET 206 N -2.77 0.78 -0.21 3.99 0.23 -1.04 -4.90 119.30 115.38 2yr1 s MET 206 Ca 0.11 0.43 -0.07 0.00 -1.03 0.00 0.00 55.69 55.12 2yr1 s MET 206 Cb -0.04 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 2yr1 s MET 206 CO 0.03 -0.20 0.07 0.00 -2.03 0.00 0.00 175.02 172.90 2yr1 s ALA 207 N -0.60 3.31 0.93 3.16 0.00 -1.26 -1.99 121.76 125.31 2yr1 s ALA 207 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2yr1 s ALA 207 Cb -0.02 -1.98 0.18 0.00 0.00 0.00 0.00 23.12 21.30 2yr1 s ALA 207 CO 0.03 -0.07 1.30 -1.64 0.00 0.00 0.00 175.76 175.38 2yr1 s MET 208 N 0.84 0.87 0.80 0.00 1.00 0.10 -4.14 119.30 118.76 2yr1 s MET 208 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 55.69 55.38 2yr1 s MET 208 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 32.82 2yr1 s MET 208 CO 0.02 -2.27 0.00 0.41 0.00 0.00 0.00 175.02 173.18 2yr1 n GLY 209 N -3.68 -1.80 0.08 -0.03 0.00 -0.72 -3.20 105.19 95.83 2yr1 n GLY 209 Ca 0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 2yr1 n GLY 209 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2yr1 h GLY 210 N -0.38 -0.09 0.94 -0.02 0.00 -1.92 -2.83 103.07 98.78 2yr1 h GLY 210 Ca 0.01 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.52 2yr1 h GLY 210 CO 0.00 -0.04 0.40 1.41 0.00 0.00 0.00 176.54 178.31 2yr1 h LEU 211 N -0.10 0.18 -0.80 3.11 3.38 -1.92 -1.27 115.31 117.89 2yr1 h LEU 211 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2yr1 h LEU 211 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2yr1 h LEU 211 CO -0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2yr1 n GLY 212 N -1.58 -0.06 0.36 0.83 0.00 -1.07 -4.30 105.19 99.36 2yr1 n GLY 212 Ca 0.10 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.90 2yr1 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yr1 h ALA 213 N 3.84 1.59 0.00 4.61 0.00 -1.20 0.34 119.26 128.43 2yr1 h ALA 213 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2yr1 h ALA 213 Cb 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2yr1 h ALA 213 CO 0.00 0.12 -0.08 0.97 0.00 0.00 0.00 179.25 180.27 2yr1 h ILE 214 N 0.91 0.78 0.00 0.00 6.09 -1.82 -1.17 117.51 122.29 2yr1 h ILE 214 Ca 0.52 -0.30 -0.09 0.00 -1.37 0.00 0.00 64.86 63.63 2yr1 h ILE 214 Cb 0.63 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2yr1 h ILE 214 CO -0.30 0.08 -0.42 0.71 -3.07 0.00 0.00 178.15 175.15 2yr1 h THR 215 N 0.00 0.91 0.00 2.19 1.35 -1.24 0.12 112.91 116.23 2yr1 h THR 215 Ca -0.00 -1.72 -0.10 0.00 -0.55 0.00 0.00 66.41 64.04 2yr1 h THR 215 Cb 0.17 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2yr1 h THR 215 CO 0.01 0.41 -0.48 0.03 -0.25 0.00 0.00 175.52 175.24 2yr1 h ARG 216 N 0.00 0.00 0.00 4.72 3.08 -1.15 -1.40 114.38 119.63 2yr1 h ARG 216 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2yr1 h ARG 216 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2yr1 h ARG 216 CO 0.05 0.48 -1.76 1.28 -1.07 0.00 0.00 179.97 178.96 2yr1 n LEU 217 N -3.25 0.36 0.00 3.04 4.77 -1.05 -4.61 117.00 116.25 2yr1 n LEU 217 Ca 0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2yr1 n LEU 217 Cb 0.71 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2yr1 n LEU 217 CO 0.40 0.10 0.21 0.00 -1.33 0.00 0.00 177.39 176.76 2yr1 n ALA 218 N -2.37 0.99 0.29 -1.18 0.00 0.38 -4.72 120.51 113.90 2yr1 n ALA 218 Ca -0.10 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.05 2yr1 n ALA 218 Cb 0.74 0.00 0.83 0.00 0.00 0.00 0.00 19.45 21.02 2yr1 n ALA 218 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2yr1 h GLY 219 N 0.00 0.00 2.00 0.00 0.00 -1.35 -1.88 103.07 101.84 2yr1 h GLY 219 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2yr1 h GLY 219 CO 0.00 0.00 -0.09 0.11 0.00 0.00 0.00 176.54 176.56 2yr1 h TRP 220 N 0.00 0.00 0.00 5.60 5.08 -1.81 0.77 115.95 125.59 2yr1 h TRP 220 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2yr1 h TRP 220 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2yr1 h TRP 220 CO 0.00 0.09 0.00 -0.07 -1.28 0.00 0.00 178.44 177.18 2yr1 h LEU 221 N 0.00 0.00 -3.00 0.11 3.38 -1.64 -2.39 115.31 111.76 2yr1 h LEU 221 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yr1 h LEU 221 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2yr1 h LEU 221 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 2yr1 n PHE 222 N -2.48 0.16 0.00 1.13 3.72 0.21 -4.99 117.46 115.21 2yr1 n PHE 222 Ca -0.00 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2yr1 n PHE 222 Cb 0.15 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2yr1 n PHE 222 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yr1 n GLY 223 N -0.49 0.84 3.58 1.37 0.00 -0.90 -2.80 105.19 106.79 2yr1 n GLY 223 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2yr1 n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yr1 s SER 224 N -1.31 6.57 0.49 1.61 0.15 -0.87 -4.11 113.70 116.22 2yr1 s SER 224 Ca 0.00 0.30 0.29 0.00 0.70 0.00 0.00 55.95 57.24 2yr1 s SER 224 Cb 0.00 -2.48 0.90 0.00 -1.71 0.00 0.00 66.02 62.73 2yr1 s SER 224 CO 0.00 -1.06 1.81 0.00 1.20 0.00 0.00 173.24 175.19 2yr1 h ALA 225 N 8.98 1.00 -3.82 5.45 0.00 -0.31 -3.26 119.26 127.31 2yr1 h ALA 225 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 2yr1 h ALA 225 Cb 1.07 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 2yr1 h ALA 225 CO 1.04 0.00 -0.76 0.08 0.00 0.00 0.00 179.25 179.61 2yr1 s VAL 226 N -3.45 0.47 -0.05 0.00 1.01 -1.26 -2.28 120.40 114.84 2yr1 s VAL 226 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2yr1 s VAL 226 Cb 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2yr1 s VAL 226 CO 0.60 0.15 -0.25 0.28 0.00 0.00 0.00 175.10 175.88 2yr1 s THR 227 N 0.13 2.08 -0.22 3.92 -1.32 -0.28 -4.54 115.64 115.41 2yr1 s THR 227 Ca -0.01 -1.07 -0.18 0.00 -1.21 0.00 0.00 61.69 59.22 2yr1 s THR 227 Cb -0.05 -1.74 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 2yr1 s THR 227 CO -0.00 0.57 0.51 -0.36 -2.21 0.00 0.00 174.62 173.13 2yr1 s PHE 228 N -0.31 3.34 0.14 9.09 0.40 -1.26 -1.21 117.98 128.18 2yr1 s PHE 228 Ca 0.01 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 2yr1 s PHE 228 Cb -0.13 -2.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 2yr1 s PHE 228 CO 0.02 -0.16 -0.13 0.00 0.70 0.00 0.00 175.22 175.66 2yr1 s ALA 229 N 1.85 1.56 -0.35 5.36 0.00 0.09 -4.41 121.76 125.86 2yr1 s ALA 229 Ca 0.23 -1.42 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 2yr1 s ALA 229 Cb -0.15 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2yr1 s ALA 229 CO 0.09 0.03 1.05 0.08 0.00 0.00 0.00 175.76 177.01 2yr1 s VAL 230 N -2.67 4.48 -0.42 0.00 1.01 -0.46 -4.01 120.40 118.33 2yr1 s VAL 230 Ca 0.14 1.54 0.22 0.00 0.00 0.00 0.00 61.98 63.88 2yr1 s VAL 230 Cb -0.02 -4.43 -0.19 0.00 0.00 0.00 0.00 36.38 31.74 2yr1 s VAL 230 CO 0.03 -0.57 0.83 0.61 0.00 0.00 0.00 175.10 175.99 2yr1 n GLY 231 N 4.13 -1.14 1.71 4.51 0.00 -1.26 -1.38 105.19 111.76 2yr1 n GLY 231 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2yr1 n GLY 231 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yr1 n ASN 232 N -2.09 -2.36 -4.53 1.61 4.05 -1.26 -4.24 115.26 106.43 2yr1 n ASN 232 Ca -0.00 0.58 -0.26 0.00 0.45 0.00 0.00 54.58 55.35 2yr1 n ASN 232 Cb 0.48 2.38 -0.10 0.00 1.23 0.00 0.00 39.78 43.77 2yr1 n ASN 232 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2yr1 s GLN 233 N -1.67 1.92 0.03 1.20 -0.21 -1.26 -5.13 119.66 114.54 2yr1 s GLN 233 Ca 0.00 -1.40 -0.10 0.00 0.02 0.00 0.00 55.36 53.88 2yr1 s GLN 233 Cb 0.00 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 2yr1 s GLN 233 CO 0.00 0.41 0.36 0.45 -2.12 0.00 0.00 175.29 174.38 2yr1 s SER 234 N -2.98 6.63 0.00 5.90 0.15 -1.26 -4.64 113.70 117.50 2yr1 s SER 234 Ca 0.25 0.76 0.08 0.00 0.70 0.00 0.00 55.95 57.74 2yr1 s SER 234 Cb -0.08 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2yr1 s SER 234 CO 0.15 0.24 0.51 -1.54 1.20 0.00 0.00 173.24 173.80 2yr1 n SER 235 N 1.23 0.94 -3.59 5.45 3.41 -1.26 -5.01 113.62 114.78 2yr1 n SER 235 Ca -0.11 -0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 57.37 2yr1 n SER 235 Cb 0.53 0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 64.96 2yr1 n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yr1 s ALA 236 N -1.24 -1.67 0.31 7.33 0.00 -1.26 -5.11 121.76 120.11 2yr1 s ALA 236 Ca 0.06 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.29 2yr1 s ALA 236 Cb 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 23.12 22.51 2yr1 s ALA 236 CO 0.21 -0.34 1.44 -0.35 0.00 0.00 0.00 175.76 176.72 2yr1 n PRO 237 N 1.83 2.35 0.00 0.00 -0.04 -1.26 -2.78 135.00 135.10 2yr1 n PRO 237 Ca -0.17 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 2yr1 n PRO 237 Cb 0.56 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2yr1 n PRO 237 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yr1 n GLY 238 N 1.48 1.51 3.75 0.55 0.00 -1.26 -1.76 105.19 109.44 2yr1 n GLY 238 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2yr1 n GLY 238 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yr1 s GLN 239 N -0.74 4.15 -0.03 1.61 -0.21 -1.12 -4.82 119.66 118.50 2yr1 s GLN 239 Ca 0.00 2.52 -0.01 0.00 0.02 0.00 0.00 55.36 57.89 2yr1 s GLN 239 Cb 0.00 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 2yr1 s GLN 239 CO 0.00 -0.60 0.07 0.42 -2.12 0.00 0.00 175.29 173.06 2yr1 s ILE 240 N 0.11 4.74 0.23 1.08 1.01 -1.26 -4.71 121.20 122.39 2yr1 s ILE 240 Ca 0.64 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 2yr1 s ILE 240 Cb -0.47 -3.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 2yr1 s ILE 240 CO 0.45 0.43 1.19 -2.65 0.00 0.00 0.00 174.94 174.37 2yr1 n PRO 241 N 1.47 1.49 -0.28 2.79 -0.02 -1.26 -1.36 135.00 137.83 2yr1 n PRO 241 Ca -0.15 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 2yr1 n PRO 241 Cb 0.53 -2.04 0.21 0.00 -0.02 0.00 0.00 33.50 32.18 2yr1 n PRO 241 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2yr1 h ILE 242 N 2.58 0.32 -0.81 4.25 6.09 -1.53 -1.59 117.51 126.82 2yr1 h ILE 242 Ca -0.43 -0.05 0.02 0.00 -1.37 0.00 0.00 64.86 63.04 2yr1 h ILE 242 Cb 1.32 0.16 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 2yr1 h ILE 242 CO 0.69 0.03 0.53 0.44 -3.07 0.00 0.00 178.15 176.76 2yr1 h ASP 243 N 0.14 0.89 -0.54 2.19 3.45 -1.88 -0.80 116.42 119.87 2yr1 h ASP 243 Ca 0.47 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.82 2yr1 h ASP 243 Cb 0.88 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 2yr1 h ASP 243 CO -0.68 0.63 -0.05 0.44 -1.57 0.00 0.00 179.24 178.01 2yr1 h ASP 244 N 1.05 0.98 -0.09 6.45 3.32 -1.65 -1.34 116.42 125.13 2yr1 h ASP 244 Ca 0.31 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2yr1 h ASP 244 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2yr1 h ASP 244 CO -0.09 1.07 0.01 0.58 -1.72 0.00 0.00 179.24 179.10 2yr1 h VAL 245 N 0.86 0.95 -0.78 -1.35 2.07 -1.09 -1.99 116.25 114.91 2yr1 h VAL 245 Ca 0.15 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2yr1 h VAL 245 Cb 0.61 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 2yr1 h VAL 245 CO 0.04 0.01 0.43 0.03 0.02 0.00 0.00 177.57 178.09 2yr1 h ARG 246 N 0.05 0.69 -0.01 1.57 2.47 -0.94 0.11 114.38 118.31 2yr1 h ARG 246 Ca 0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2yr1 h ARG 246 Cb 0.04 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2yr1 h ARG 246 CO -0.06 0.46 0.01 1.15 0.56 0.00 0.00 179.97 182.09 2yr1 h THR 247 N 0.71 1.02 -0.61 2.04 2.02 -0.82 -1.06 112.91 116.21 2yr1 h THR 247 Ca 0.38 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 2yr1 h THR 247 Cb 0.38 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2yr1 h THR 247 CO -0.26 0.02 0.06 0.58 0.37 0.00 0.00 175.52 176.29 2yr1 h VAL 248 N -0.01 1.26 -0.67 3.16 2.07 -0.85 -2.74 116.25 118.47 2yr1 h VAL 248 Ca 0.01 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 2yr1 h VAL 248 Cb 0.02 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2yr1 h VAL 248 CO -0.00 0.39 0.38 -0.07 0.02 0.00 0.00 177.57 178.29 2yr1 h LEU 249 N 0.95 0.83 -0.15 2.57 3.38 -0.63 0.13 115.31 122.39 2yr1 h LEU 249 Ca 0.18 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2yr1 h LEU 249 Cb 0.48 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2yr1 h LEU 249 CO 0.02 0.68 -0.13 -1.28 0.09 0.00 0.00 178.44 177.82 2yr1 h SER 250 N 0.92 -0.42 -0.29 -0.43 0.87 -1.02 0.82 113.55 114.01 2yr1 h SER 250 Ca 0.24 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2yr1 h SER 250 Cb 0.02 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2yr1 h SER 250 CO -0.04 -0.17 0.03 0.40 -0.53 0.00 0.00 176.83 176.52 2yr1 h ILE 251 N -0.15 1.24 -0.78 2.23 2.04 -1.18 -2.07 117.51 118.84 2yr1 h ILE 251 Ca 0.10 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2yr1 h ILE 251 Cb 0.29 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2yr1 h ILE 251 CO -0.24 0.27 0.50 0.25 0.00 0.00 0.00 178.15 178.94 2yr1 h LEU 252 N 0.29 0.84 -0.42 1.44 5.85 -0.43 -1.61 115.31 121.27 2yr1 h LEU 252 Ca 0.09 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2yr1 h LEU 252 Cb 0.37 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2yr1 h LEU 252 CO 0.01 0.59 -0.10 1.56 -0.34 0.00 0.00 178.44 180.15 2yr1 h GLN 253 N 0.99 0.82 -0.85 1.25 4.20 -0.75 0.11 115.11 120.88 2yr1 h GLN 253 Ca 0.30 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2yr1 h GLN 253 Cb -0.02 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 2yr1 h GLN 253 CO -0.10 0.94 0.43 1.79 -0.67 0.00 0.00 178.83 181.22 2yr1 h THR 254 N 0.64 1.26 -0.04 -0.54 1.35 -1.05 -3.16 112.91 111.36 2yr1 h THR 254 Ca 0.11 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2yr1 h THR 254 Cb 0.64 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2yr1 h THR 254 CO 0.04 0.30 0.00 -1.22 -0.25 0.00 0.00 175.52 174.39 2yr1 n TYR 255 N -4.34 0.02 -3.38 4.73 4.01 -0.63 -4.85 117.16 112.71 2yr1 n TYR 255 Ca 0.08 -0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 2yr1 n TYR 255 Cb 0.12 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 2yr1 n TYR 255 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2yr1 s SER 256 N -1.98 6.15 0.00 7.72 0.01 0.36 -5.06 113.70 120.90 2yr1 s SER 256 Ca 0.29 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2yr1 s SER 256 Cb 0.20 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2yr1 s SER 256 CO 0.30 -0.53 0.00 0.54 0.41 0.00 0.00 173.24 173.97