#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4e n LYS 3 N 0.00 -2.53 -4.20 1.43 5.02 -1.13 -4.97 118.16 111.78 1s4e n LYS 3 Ca 0.00 2.11 -0.17 0.00 -2.02 0.00 0.00 58.31 58.23 1s4e n LYS 3 Cb 0.00 -2.89 -0.11 0.00 -0.02 0.00 0.00 35.03 32.00 1s4e n LYS 3 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1s4e s ILE 4 N -0.33 1.16 -0.17 -0.18 -4.36 -0.85 -4.97 121.20 111.50 1s4e s ILE 4 Ca -0.08 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 1s4e s ILE 4 Cb 0.01 -1.37 0.02 0.00 1.25 0.00 0.00 42.46 42.37 1s4e s ILE 4 CO 0.21 -0.42 -0.17 -0.89 0.24 0.00 0.00 174.94 173.91 1s4e s THR 5 N -2.03 1.84 -0.20 8.37 2.01 -1.26 -1.97 115.64 122.41 1s4e s THR 5 Ca 0.05 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1s4e s THR 5 Cb -0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1s4e s THR 5 CO 0.02 0.50 0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 1s4e s VAL 6 N 1.38 5.11 -0.21 3.82 1.01 0.35 -4.39 120.40 127.46 1s4e s VAL 6 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1s4e s VAL 6 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1s4e s VAL 6 CO -0.12 0.43 0.09 -0.54 0.00 0.00 0.00 175.10 174.96 1s4e s LYS 7 N 0.51 3.96 -0.18 2.72 1.02 0.22 -1.23 119.74 126.76 1s4e s LYS 7 Ca 0.06 -0.34 -0.00 0.00 0.02 0.00 0.00 55.97 55.70 1s4e s LYS 7 Cb -0.12 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1s4e s LYS 7 CO 0.00 0.14 -0.05 0.45 -0.92 0.00 0.00 175.35 174.97 1s4e s SER 8 N 0.76 3.02 0.79 2.83 0.15 -0.21 -1.87 113.70 119.16 1s4e s SER 8 Ca 0.05 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.83 1s4e s SER 8 Cb -0.13 -0.97 0.06 0.00 -1.71 0.00 0.00 66.02 63.28 1s4e s SER 8 CO 0.02 -0.19 1.11 -2.16 1.20 0.00 0.00 173.24 173.22 1s4e s PRO 9 N 1.59 2.17 0.00 5.44 0.04 -1.26 -0.99 135.00 141.99 1s4e s PRO 9 Ca -0.00 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1s4e s PRO 9 Cb -0.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1s4e s PRO 9 CO -0.08 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1s4e n GLY 10 N -2.44 0.68 3.35 0.56 0.00 -0.18 -4.29 105.19 102.88 1s4e n GLY 10 Ca 0.07 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1s4e n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s4e s ARG 11 N -0.39 1.12 -0.03 1.61 1.04 -0.52 -1.62 118.95 120.16 1s4e s ARG 11 Ca 0.00 -0.85 -0.04 0.00 -1.04 0.00 0.00 55.73 53.80 1s4e s ARG 11 Cb 0.00 0.45 0.01 0.00 -2.04 0.00 0.00 34.95 33.36 1s4e s ARG 11 CO 0.00 -0.43 0.10 0.54 -0.04 0.00 0.00 175.30 175.46 1s4e s VAL 12 N -3.85 0.02 -0.23 4.99 0.11 -1.26 -4.40 120.40 115.78 1s4e s VAL 12 Ca 0.07 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 1s4e s VAL 12 Cb 0.02 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1s4e s VAL 12 CO -0.08 -0.10 0.22 0.21 -3.33 0.00 0.00 175.10 172.02 1s4e s ASN 13 N -0.29 6.21 0.04 3.54 2.47 -1.26 -4.43 114.94 121.21 1s4e s ASN 13 Ca -0.04 0.22 -0.17 0.00 0.42 0.00 0.00 52.86 53.29 1s4e s ASN 13 Cb -0.03 -2.14 -0.20 0.00 -1.45 0.00 0.00 41.25 37.43 1s4e s ASN 13 CO 0.00 0.03 1.19 0.25 -3.72 0.00 0.00 177.10 174.86 1s4e h LEU 14 N 7.50 0.66 -7.04 3.21 5.85 -1.97 -3.45 115.31 120.06 1s4e h LEU 14 Ca -0.38 -0.69 0.09 0.00 0.84 0.00 0.00 57.88 57.75 1s4e h LEU 14 Cb 1.17 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.86 1s4e h LEU 14 CO 0.68 1.25 0.45 -0.51 -0.34 0.00 0.00 178.44 179.97 1s4e s ILE 15 N -3.49 0.00 0.00 4.05 1.10 -1.26 -4.96 121.20 116.64 1s4e s ILE 15 Ca -0.12 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 1s4e s ILE 15 Cb 0.05 -1.06 0.00 0.00 0.15 0.00 0.00 42.46 41.60 1s4e s ILE 15 CO 0.85 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.29 1s4e n GLY 16 N -0.28 0.80 3.63 1.50 0.00 -1.26 -4.64 105.19 104.94 1s4e n GLY 16 Ca -0.10 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1s4e n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s4e s GLU 17 N -2.41 2.54 -1.51 1.61 2.56 -1.26 -4.40 118.70 115.84 1s4e s GLU 17 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 54.97 54.16 1s4e s GLU 17 Cb 0.00 -2.51 0.04 0.00 2.00 0.00 0.00 34.13 33.65 1s4e s GLU 17 CO 0.00 0.58 0.39 0.72 -0.56 0.00 0.00 175.26 176.39 1s4e n HIS 18 N 1.21 -1.56 -0.01 5.30 8.25 -1.26 -4.90 115.22 122.25 1s4e n HIS 18 Ca -0.14 0.72 -0.01 0.00 -0.26 0.00 0.00 57.72 58.03 1s4e n HIS 18 Cb 0.52 -3.32 -0.01 0.00 1.12 0.00 0.00 29.99 28.30 1s4e n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1s4e n THR 19 N -4.43 0.13 0.12 1.59 -1.04 -1.26 -4.83 114.28 104.56 1s4e n THR 19 Ca -0.23 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1s4e n THR 19 Cb 0.65 -0.87 0.02 0.00 -1.82 0.00 0.00 70.33 68.30 1s4e n THR 19 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1s4e h ASP 20 N 0.00 0.00 0.16 8.00 -0.00 -1.86 -0.98 116.42 121.74 1s4e h ASP 20 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1s4e h ASP 20 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 1s4e h ASP 20 CO 0.00 0.62 0.00 0.00 -0.00 0.00 0.00 179.24 179.86 1s4e n TYR 21 N -3.29 0.00 -1.02 4.15 0.18 -1.26 -1.82 117.16 114.10 1s4e n TYR 21 Ca 0.01 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.89 1s4e n TYR 21 Cb 0.77 -0.11 0.16 0.00 -0.38 0.00 0.00 39.34 39.78 1s4e n TYR 21 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1s4e n THR 22 N -1.11 1.93 -3.21 -3.48 -2.24 -1.00 -4.86 114.28 100.31 1s4e n THR 22 Ca 0.15 -2.16 -0.15 0.00 -2.27 0.00 0.00 64.05 59.62 1s4e n THR 22 Cb 0.12 -0.22 0.07 0.00 -2.10 0.00 0.00 70.33 68.20 1s4e n THR 22 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1s4e n TYR 23 N -1.25 -1.89 -2.20 4.78 4.02 -0.75 -1.08 117.16 118.79 1s4e n TYR 23 Ca 0.16 0.78 0.00 0.00 -0.01 0.00 0.00 57.90 58.84 1s4e n TYR 23 Cb 0.67 -4.52 0.00 0.00 -0.02 0.00 0.00 39.34 35.47 1s4e n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s4e n GLY 24 N -1.20 3.09 3.92 2.72 0.00 -0.41 -4.05 105.19 109.27 1s4e n GLY 24 Ca -0.20 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 1s4e n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s4e s TYR 25 N 1.79 3.48 0.00 1.61 1.51 -1.26 -2.09 117.35 122.40 1s4e s TYR 25 Ca 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 56.56 1s4e s TYR 25 Cb 0.00 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1s4e s TYR 25 CO 0.00 0.21 0.00 0.28 -1.11 0.00 0.00 175.55 174.93 1s4e n VAL 26 N -1.07 0.00 -2.32 0.71 0.31 -0.83 -4.61 118.33 110.52 1s4e n VAL 26 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1s4e n VAL 26 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1s4e n VAL 26 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s4e n PRO 28 N 0.00 0.00 -4.43 5.55 -0.04 -1.15 -1.09 135.00 133.84 1s4e n PRO 28 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1s4e n PRO 28 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1s4e n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s4e s ALA 30 N -1.00 3.20 0.23 0.55 0.00 -1.26 -0.77 121.76 122.72 1s4e s ALA 30 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.21 1s4e s ALA 30 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1s4e s ALA 30 CO 0.00 0.57 0.07 0.96 0.00 0.00 0.00 175.76 177.36 1s4e s ILE 31 N -0.82 3.91 -0.11 0.00 -4.36 -0.64 0.12 121.20 119.29 1s4e s ILE 31 Ca 0.12 -1.58 -0.04 0.00 -0.26 0.00 0.00 60.65 58.89 1s4e s ILE 31 Cb -0.11 -3.06 -0.09 0.00 1.25 0.00 0.00 42.46 40.44 1s4e s ILE 31 CO 0.02 -0.29 2.90 -0.90 0.24 0.00 0.00 174.94 176.90 1s4e n ASP 32 N -0.79 5.62 -4.24 4.36 5.75 -0.96 -3.68 116.55 122.62 1s4e n ASP 32 Ca -0.08 -2.65 -0.32 0.00 -0.01 0.00 0.00 54.79 51.73 1s4e n ASP 32 Cb 0.57 -1.28 -0.17 0.00 -1.03 0.00 0.00 41.12 39.22 1s4e n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1s4e s LEU 33 N -0.58 2.09 0.15 -2.12 1.43 -1.26 -4.93 118.68 113.46 1s4e s LEU 33 Ca 0.45 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1s4e s LEU 33 Cb 0.24 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1s4e s LEU 33 CO -0.04 0.19 -0.21 -0.31 0.23 0.00 0.00 176.35 176.21 1s4e s TYR 34 N 0.16 1.97 -0.13 0.29 1.51 -1.26 -1.01 117.35 118.89 1s4e s TYR 34 Ca -0.14 -0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 55.35 1s4e s TYR 34 Cb -0.16 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1s4e s TYR 34 CO 0.07 0.33 0.37 0.99 -1.11 0.00 0.00 175.55 176.20 1s4e s THR 35 N -1.59 5.24 -0.16 -0.71 2.01 -0.16 0.10 115.64 120.37 1s4e s THR 35 Ca 0.14 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.86 1s4e s THR 35 Cb -0.08 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1s4e s THR 35 CO 0.07 0.39 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 1s4e s ILE 36 N 0.33 2.88 -0.19 1.82 1.01 0.14 -1.04 121.20 126.15 1s4e s ILE 36 Ca 0.21 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1s4e s ILE 36 Cb -0.14 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1s4e s ILE 36 CO 0.07 0.50 -0.16 -0.63 0.00 0.00 0.00 174.94 174.73 1s4e s ILE 37 N 0.80 1.91 -0.27 2.92 1.01 -0.36 -0.44 121.20 126.77 1s4e s ILE 37 Ca -0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 1s4e s ILE 37 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1s4e s ILE 37 CO 0.01 0.37 0.06 -0.89 0.00 0.00 0.00 174.94 174.49 1s4e s THR 38 N 1.32 4.02 0.09 2.92 2.01 -0.91 -0.49 115.64 124.59 1s4e s THR 38 Ca 0.02 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 1s4e s THR 38 Cb -0.15 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1s4e s THR 38 CO -0.11 0.21 0.24 0.00 -0.69 0.00 0.00 174.62 174.28 1s4e s ALA 39 N 1.54 -0.40 0.24 7.40 0.00 -0.83 -1.40 121.76 128.31 1s4e s ALA 39 Ca 0.04 -0.46 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1s4e s ALA 39 Cb -0.16 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1s4e s ALA 39 CO 0.02 -0.53 -0.15 -1.83 0.00 0.00 0.00 175.76 173.27 1s4e s GLU 40 N -3.74 1.47 0.28 0.00 -1.05 -0.01 -2.00 118.70 113.65 1s4e s GLU 40 Ca 0.04 -1.67 -0.29 0.00 -0.15 0.00 0.00 54.97 52.89 1s4e s GLU 40 Cb 0.04 -1.35 -0.13 0.00 -0.44 0.00 0.00 34.13 32.24 1s4e s GLU 40 CO -0.11 0.22 1.22 1.63 0.95 0.00 0.00 175.26 179.17 1s4e n LYS 41 N -0.49 1.75 -3.61 -4.83 5.02 -1.26 -1.77 118.16 112.97 1s4e n LYS 41 Ca -0.07 0.62 -0.16 0.00 -2.02 0.00 0.00 58.31 56.68 1s4e n LYS 41 Cb 0.61 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 33.40 1s4e n LYS 41 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1s4e s TYR 42 N -0.72 -0.47 0.17 2.13 5.04 -0.91 -4.60 117.35 117.99 1s4e s TYR 42 Ca 0.62 0.78 -0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1s4e s TYR 42 Cb -0.66 0.29 0.03 0.00 0.35 0.00 0.00 41.96 41.97 1s4e s TYR 42 CO 0.57 -0.53 1.40 -0.44 -1.34 0.00 0.00 175.55 175.21 1s4e h ASP 43 N 3.30 0.39 -4.66 4.32 3.32 -1.93 0.40 116.42 121.56 1s4e h ASP 43 Ca -0.28 -0.28 -0.41 0.00 0.02 0.00 0.00 57.03 56.08 1s4e h ASP 43 Cb 1.16 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1s4e h ASP 43 CO 0.40 1.05 -0.25 2.29 -1.72 0.00 0.00 179.24 181.00 1s4e n LYS 44 N -3.76 1.08 -4.06 3.56 2.85 -1.26 -4.13 118.16 112.44 1s4e n LYS 44 Ca -0.04 -2.34 -0.35 0.00 -1.05 0.00 0.00 58.31 54.53 1s4e n LYS 44 Cb 0.76 0.45 -0.13 0.00 -0.65 0.00 0.00 35.03 35.47 1s4e n LYS 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1s4e s VAL 45 N -2.00 3.96 -0.16 0.58 1.01 0.25 -2.17 120.40 121.87 1s4e s VAL 45 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1s4e s VAL 45 Cb -0.01 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1s4e s VAL 45 CO 0.06 0.43 0.04 -1.58 0.00 0.00 0.00 175.10 174.05 1s4e s GLN 46 N 1.02 0.50 0.05 2.72 0.74 -0.36 -1.16 119.66 123.16 1s4e s GLN 46 Ca 0.02 -0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.25 1s4e s GLN 46 Cb -0.14 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 1s4e s GLN 46 CO 0.02 -0.58 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.48 1s4e s LEU 47 N 1.95 2.18 -0.19 3.68 1.43 -0.22 -2.16 118.68 125.35 1s4e s LEU 47 Ca 0.01 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1s4e s LEU 47 Cb -0.16 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1s4e s LEU 47 CO -0.08 0.11 -0.02 -0.47 0.23 0.00 0.00 176.35 176.12 1s4e s TYR 48 N -0.86 3.01 -0.38 0.29 5.04 -0.76 -1.07 117.35 122.61 1s4e s TYR 48 Ca 0.05 -0.54 -0.15 0.00 -2.44 0.00 0.00 57.07 54.00 1s4e s TYR 48 Cb -0.09 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.17 1s4e s TYR 48 CO 0.02 -0.27 0.33 0.45 -1.34 0.00 0.00 175.55 174.74 1s4e s SER 49 N 0.96 6.13 0.23 4.32 0.15 -0.46 -0.04 113.70 124.99 1s4e s SER 49 Ca 0.01 -0.61 -0.06 0.00 0.70 0.00 0.00 55.95 55.98 1s4e s SER 49 Cb -0.14 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.35 1s4e s SER 49 CO 0.01 -0.41 1.78 -0.08 1.20 0.00 0.00 173.24 175.74 1s4e h GLU 50 N 8.59 0.58 -0.75 5.44 4.81 -1.52 0.73 114.58 132.46 1s4e h GLU 50 Ca -0.28 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1s4e h GLU 50 Cb 1.13 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.32 1s4e h GLU 50 CO 0.71 0.38 0.44 1.25 -0.73 0.00 0.00 179.01 181.07 1s4e h HIS 51 N 0.60 0.81 -0.02 0.92 2.76 -1.94 -2.64 115.15 115.64 1s4e h HIS 51 Ca 0.36 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1s4e h HIS 51 Cb 0.40 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1s4e h HIS 51 CO -0.11 0.39 -0.19 1.19 -1.30 0.00 0.00 177.93 177.91 1s4e n PHE 52 N -4.72 0.00 -3.83 5.26 3.01 -1.01 -4.99 117.46 111.17 1s4e n PHE 52 Ca 0.10 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.31 1s4e n PHE 52 Cb 0.18 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.64 1s4e n PHE 52 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1s4e n ASN 53 N 0.18 -2.14 -3.98 4.37 3.02 0.22 -4.98 115.26 111.95 1s4e n ASN 53 Ca 0.14 -0.85 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 1s4e n ASN 53 Cb 0.44 -3.76 -0.11 0.00 -0.61 0.00 0.00 39.78 35.74 1s4e n ASN 53 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s4e s GLU 54 N -6.31 0.31 -0.10 3.52 2.02 -1.16 -5.02 118.70 111.96 1s4e s GLU 54 Ca 0.23 -0.60 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 1s4e s GLU 54 Cb -0.12 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 1s4e s GLU 54 CO 0.84 -0.05 0.21 -1.21 0.02 0.00 0.00 175.26 175.06 1s4e s GLU 55 N -1.43 3.65 0.02 1.61 2.02 -1.26 -1.36 118.70 121.94 1s4e s GLU 55 Ca -0.16 -0.00 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1s4e s GLU 55 Cb -0.10 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 1s4e s GLU 55 CO -0.01 0.69 -0.07 0.15 0.02 0.00 0.00 175.26 176.05 1s4e s LYS 56 N -0.84 0.48 0.05 1.61 1.02 -0.23 -5.00 119.74 116.82 1s4e s LYS 56 Ca 0.16 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1s4e s LYS 56 Cb -0.13 -0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 1s4e s LYS 56 CO 0.06 0.09 -0.04 0.95 -0.92 0.00 0.00 175.35 175.48 1s4e s THR 57 N -0.66 0.33 -0.07 2.17 -4.23 -1.26 -1.06 115.64 110.87 1s4e s THR 57 Ca -0.03 -1.44 -0.25 0.00 -1.18 0.00 0.00 61.69 58.79 1s4e s THR 57 Cb -0.05 -1.02 0.06 0.00 1.34 0.00 0.00 72.50 72.83 1s4e s THR 57 CO 0.00 -0.72 0.57 0.72 -0.54 0.00 0.00 174.62 174.65 1s4e s PHE 58 N -2.69 -0.54 0.47 3.99 -0.12 -0.31 -5.00 117.98 113.79 1s4e s PHE 58 Ca -0.02 0.99 -0.06 0.00 -0.05 0.00 0.00 56.93 57.79 1s4e s PHE 58 Cb -0.01 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1s4e s PHE 58 CO -0.05 -0.51 0.79 0.95 -0.05 0.00 0.00 175.22 176.36 1s4e s THR 59 N -0.98 4.89 0.34 -4.49 -4.23 -1.26 -0.58 115.64 109.33 1s4e s THR 59 Ca -0.10 0.27 0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1s4e s THR 59 Cb -0.02 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 70.07 1s4e s THR 59 CO 0.07 -0.81 1.81 -0.07 -0.54 0.00 0.00 174.62 175.08 1s4e h LEU 60 N 0.36 0.00 -2.04 4.79 4.07 -1.95 -1.48 115.31 119.06 1s4e h LEU 60 Ca -0.47 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.43 1s4e h LEU 60 Cb 1.20 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 1s4e h LEU 60 CO 0.62 0.39 0.08 -0.90 -1.08 0.00 0.00 178.44 177.54 1s4e n ASP 61 N -3.98 2.65 -3.06 -0.43 5.75 -1.26 -4.32 116.55 111.90 1s4e n ASP 61 Ca -0.02 -2.29 -0.18 0.00 -0.01 0.00 0.00 54.79 52.29 1s4e n ASP 61 Cb 0.43 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1s4e n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1s4e n ASN 62 N 0.14 -1.14 -2.58 -1.12 4.05 -0.56 -4.98 115.26 109.07 1s4e n ASN 62 Ca 0.10 -2.83 -0.37 0.00 0.45 0.00 0.00 54.58 51.93 1s4e n ASN 62 Cb 0.62 0.29 0.06 0.00 1.23 0.00 0.00 39.78 41.98 1s4e n ASN 62 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1s4e n LEU 63 N 1.87 7.61 -4.77 1.20 4.77 -1.26 -4.55 117.00 121.87 1s4e n LEU 63 Ca 0.19 -4.51 -0.39 0.00 -0.03 0.00 0.00 56.01 51.27 1s4e n LEU 63 Cb 0.55 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1s4e n LEU 63 CO 0.11 1.59 0.33 -0.89 -1.33 0.00 0.00 177.39 177.20 1s4e s THR 64 N -4.87 4.83 0.28 -5.08 2.01 -1.26 -5.00 115.64 106.55 1s4e s THR 64 Ca 0.59 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 1s4e s THR 64 Cb 0.47 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1s4e s THR 64 CO -0.19 0.43 1.38 -1.59 -0.69 0.00 0.00 174.62 173.96 1s4e s LYS 65 N -0.33 4.31 0.00 4.92 0.00 -1.26 -4.93 119.74 122.44 1s4e s LYS 65 Ca 0.32 2.26 0.06 0.00 0.00 0.00 0.00 55.97 58.61 1s4e s LYS 65 Cb -0.19 -3.10 -0.03 0.00 0.00 0.00 0.00 37.83 34.52 1s4e s LYS 65 CO 0.19 -0.32 0.40 0.39 0.00 0.00 0.00 175.35 176.01 1s4e n GLU 66 N 1.65 3.44 -2.10 1.78 1.02 -1.26 -5.01 120.64 120.16 1s4e n GLU 66 Ca 0.04 -0.28 -0.05 0.00 -0.02 0.00 0.00 57.16 56.85 1s4e n GLU 66 Cb 0.41 -0.89 -0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1s4e n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4e n GLY 67 N 0.91 0.18 2.82 0.62 0.00 -1.26 -5.04 105.19 103.42 1s4e n GLY 67 Ca 0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1s4e n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s4e n SER 68 N 1.07 -1.16 0.26 1.61 3.41 -1.26 -5.05 113.62 112.49 1s4e n SER 68 Ca -0.06 -2.57 0.13 0.00 -0.26 0.00 0.00 58.87 56.12 1s4e n SER 68 Cb 0.54 2.16 0.70 0.00 -0.26 0.00 0.00 64.21 67.35 1s4e n SER 68 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1s4e h TRP 69 N 1.84 0.00 -0.11 7.33 5.08 -2.04 -1.23 115.95 126.81 1s4e h TRP 69 Ca -0.23 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.77 1s4e h TRP 69 Cb 0.99 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1s4e h TRP 69 CO 0.00 0.12 0.16 0.97 -1.28 0.00 0.00 178.44 178.41 1s4e h ILE 70 N 0.00 0.36 -0.88 0.12 6.09 -1.99 -2.70 117.51 118.50 1s4e h ILE 70 Ca -0.00 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.58 1s4e h ILE 70 Cb 0.41 0.86 -0.06 0.00 0.47 0.00 0.00 36.82 38.50 1s4e h ILE 70 CO 0.02 0.00 0.57 0.44 -3.07 0.00 0.00 178.15 176.10 1s4e h ASP 71 N 0.00 0.81 -0.18 2.19 3.32 -1.61 0.15 116.42 121.09 1s4e h ASP 71 Ca 0.05 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1s4e h ASP 71 Cb 0.38 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1s4e h ASP 71 CO -0.00 0.49 -0.05 1.88 -1.72 0.00 0.00 179.24 179.84 1s4e h TYR 72 N 0.90 0.53 0.06 4.55 -1.99 -1.70 0.39 116.97 119.71 1s4e h TYR 72 Ca 0.40 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 1s4e h TYR 72 Cb 0.35 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1s4e h TYR 72 CO -0.00 0.56 -0.03 0.28 -0.00 0.00 0.00 178.16 178.97 1s4e h VAL 73 N 0.48 1.18 -0.44 -2.88 2.07 -0.93 -2.62 116.25 113.10 1s4e h VAL 73 Ca 0.10 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1s4e h VAL 73 Cb 0.39 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1s4e h VAL 73 CO 0.02 0.21 0.29 0.11 0.02 0.00 0.00 177.57 178.22 1s4e h LYS 74 N -0.45 0.56 -0.18 1.57 1.57 -0.82 -2.08 116.57 116.73 1s4e h LYS 74 Ca -0.01 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1s4e h LYS 74 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1s4e h LYS 74 CO 0.01 0.37 -0.39 0.78 -0.57 0.00 0.00 179.45 179.66 1s4e h GLY 75 N 0.58 0.44 1.07 3.86 0.00 -0.84 -0.22 103.07 107.96 1s4e h GLY 75 Ca 0.16 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1s4e h GLY 75 CO -0.04 0.38 -0.45 -2.08 0.00 0.00 0.00 176.54 174.36 1s4e h VAL 76 N 0.34 1.29 -0.47 4.60 2.07 -1.00 -2.39 116.25 120.68 1s4e h VAL 76 Ca 0.03 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 1s4e h VAL 76 Cb 0.84 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1s4e h VAL 76 CO 0.07 0.53 0.00 -0.07 0.02 0.00 0.00 177.57 178.12 1s4e h LEU 77 N 0.57 0.75 -0.38 2.57 4.07 -1.17 -1.99 115.31 119.72 1s4e h LEU 77 Ca 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1s4e h LEU 77 Cb 1.05 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 1s4e h LEU 77 CO 0.10 0.81 0.20 -0.25 -1.08 0.00 0.00 178.44 178.22 1s4e h TRP 78 N 0.73 0.54 -0.33 1.13 7.01 -1.03 -0.43 115.95 123.58 1s4e h TRP 78 Ca 0.14 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.00 1s4e h TRP 78 Cb 0.44 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1s4e h TRP 78 CO 0.02 0.44 -0.31 -0.24 -2.79 0.00 0.00 178.44 175.56 1s4e h VAL 79 N 0.48 1.28 -0.22 2.65 3.04 -1.17 0.36 116.25 122.67 1s4e h VAL 79 Ca 0.13 -1.45 -0.13 0.00 -1.01 0.00 0.00 66.70 64.24 1s4e h VAL 79 Cb 0.09 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1s4e h VAL 79 CO -0.02 0.47 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.53 1s4e h LEU 80 N 0.60 0.56 -0.31 3.16 3.38 -1.18 -2.73 115.31 118.80 1s4e h LEU 80 Ca 0.07 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 1s4e h LEU 80 Cb 0.83 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1s4e h LEU 80 CO 0.07 0.91 -0.85 0.40 0.09 0.00 0.00 178.44 179.07 1s4e h ILE 81 N 0.43 1.44 0.00 1.22 2.04 -0.67 -1.66 117.51 120.31 1s4e h ILE 81 Ca 0.04 -2.43 -0.03 0.00 1.00 0.00 0.00 64.86 63.43 1s4e h ILE 81 Cb 0.91 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1s4e h ILE 81 CO 0.08 0.72 -0.16 1.56 0.00 0.00 0.00 178.15 180.35 1s4e h GLN 82 N 0.18 0.00 0.00 2.37 1.08 -0.88 -2.96 115.11 114.89 1s4e h GLN 82 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1s4e h GLN 82 Cb 1.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1s4e h GLN 82 CO 0.14 0.16 0.00 0.39 -0.95 0.00 0.00 178.83 178.56 1s4e n GLU 83 N -3.39 0.13 0.00 1.46 -0.58 -1.03 -4.92 120.64 112.32 1s4e n GLU 83 Ca -0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1s4e n GLU 83 Cb 0.35 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1s4e n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s4e n GLY 84 N 1.40 0.88 3.77 0.62 0.00 -1.12 -5.08 105.19 105.66 1s4e n GLY 84 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1s4e n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s4e s TYR 85 N -2.00 3.13 -0.62 1.61 1.51 -0.64 -4.98 117.35 115.36 1s4e s TYR 85 Ca 0.00 1.54 -0.21 0.00 -1.01 0.00 0.00 57.07 57.39 1s4e s TYR 85 Cb 0.00 -3.44 0.08 0.00 -0.11 0.00 0.00 41.96 38.49 1s4e s TYR 85 CO 0.00 -1.34 0.85 0.15 -1.11 0.00 0.00 175.55 174.10 1s4e s LYS 86 N -2.07 3.10 0.41 -0.62 3.01 -1.26 -4.62 119.74 117.69 1s4e s LYS 86 Ca 0.53 -0.98 0.02 0.00 -1.01 0.00 0.00 55.97 54.53 1s4e s LYS 86 Cb -0.33 -4.22 -0.01 0.00 -1.01 0.00 0.00 37.83 32.26 1s4e s LYS 86 CO 0.42 -1.66 0.06 0.44 0.51 0.00 0.00 175.35 175.12 1s4e n ILE 87 N 5.78 0.00 -2.29 2.17 -5.35 -1.26 -4.95 119.36 113.46 1s4e n ILE 87 Ca -0.06 -2.12 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 1s4e n ILE 87 Cb 0.44 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1s4e n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s4e n GLY 88 N -0.42 4.55 0.00 3.28 0.00 -1.26 -5.17 105.19 106.18 1s4e n GLY 88 Ca -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1s4e n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4e n GLY 89 N 0.00 1.10 3.56 -0.02 0.00 0.14 -4.95 105.19 105.02 1s4e n GLY 89 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1s4e n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s4e s LEU 90 N 0.00 -0.57 -0.07 0.99 0.05 -0.92 -2.15 118.68 116.01 1s4e s LEU 90 Ca 0.00 0.72 0.04 0.00 0.05 0.00 0.00 54.13 54.95 1s4e s LEU 90 Cb 0.00 2.27 -0.01 0.00 -2.05 0.00 0.00 46.19 46.40 1s4e s LEU 90 CO 0.00 -0.45 -0.20 -0.54 -0.55 0.00 0.00 176.35 174.61 1s4e s LYS 91 N -0.86 2.71 0.00 1.48 -0.14 -0.73 -1.23 119.74 120.98 1s4e s LYS 91 Ca -0.06 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 1s4e s LYS 91 Cb -0.01 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 1s4e s LYS 91 CO 0.05 0.40 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 1s4e n GLY 92 N 2.93 -1.28 2.90 -3.33 0.00 -0.92 -0.83 105.19 104.65 1s4e n GLY 92 Ca -0.18 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1s4e n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4e s LYS 93 N -0.56 0.21 -0.33 1.61 1.02 -0.50 -1.83 119.74 119.36 1s4e s LYS 93 Ca 0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 1s4e s LYS 93 Cb 0.00 -0.22 0.05 0.00 -0.52 0.00 0.00 37.83 37.14 1s4e s LYS 93 CO 0.00 0.03 0.07 0.42 -0.92 0.00 0.00 175.35 174.95 1s4e s ILE 94 N 0.06 3.36 0.00 2.17 1.01 0.95 -2.15 121.20 126.60 1s4e s ILE 94 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1s4e s ILE 94 Cb -0.02 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1s4e s ILE 94 CO -0.00 -0.22 0.00 0.35 0.00 0.00 0.00 174.94 175.07 1s4e n THR 95 N 4.70 0.00 0.00 2.92 -2.24 0.41 -1.36 114.28 118.72 1s4e n THR 95 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1s4e n THR 95 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1s4e n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s4e n GLY 96 N 4.70 0.71 0.00 3.38 0.00 -1.26 -0.68 105.19 112.03 1s4e n GLY 96 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1s4e n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4e n ASP 97 N 1.10 4.95 -4.67 1.61 2.03 0.12 -4.97 116.55 116.72 1s4e n ASP 97 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1s4e n ASP 97 Cb 0.00 0.95 -0.03 0.00 -0.72 0.00 0.00 41.12 41.32 1s4e n ASP 97 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1s4e s LEU 98 N -3.04 4.16 0.49 -2.67 2.96 -0.91 -4.72 118.68 114.95 1s4e s LEU 98 Ca 0.00 1.28 -0.23 0.00 -0.22 0.00 0.00 54.13 54.96 1s4e s LEU 98 Cb 0.00 -3.37 -0.08 0.00 0.50 0.00 0.00 46.19 43.25 1s4e s LEU 98 CO 0.00 -0.48 1.24 -2.65 -1.32 0.00 0.00 176.35 173.14 1s4e n PRO 99 N 5.50 1.67 -3.88 0.98 -0.02 -1.26 -4.96 135.00 133.04 1s4e n PRO 99 Ca 0.07 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 1s4e n PRO 99 Cb 0.48 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1s4e n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s4e s LEU 100 N -2.21 4.28 -1.40 2.45 1.02 -1.26 -4.41 118.68 117.15 1s4e s LEU 100 Ca 0.66 0.38 0.00 0.00 0.02 0.00 0.00 54.13 55.19 1s4e s LEU 100 Cb -0.47 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 43.69 1s4e s LEU 100 CO 0.54 0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.86 1s4e n GLY 101 N 2.43 -0.12 0.33 -3.19 0.00 -1.26 -4.91 105.19 98.47 1s4e n GLY 101 Ca -0.19 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.64 1s4e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e n ALA 102 N -1.49 2.11 -0.80 4.61 0.00 -1.26 -4.92 120.51 118.76 1s4e n ALA 102 Ca -0.19 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1s4e n ALA 102 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1s4e n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4e n GLY 103 N 0.04 0.53 1.07 0.00 0.00 -1.26 -3.03 105.19 102.54 1s4e n GLY 103 Ca 0.06 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.31 1s4e n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4e n LEU 104 N 0.00 3.95 -3.32 0.99 4.77 -1.26 -4.79 117.00 117.34 1s4e n LEU 104 Ca 0.00 -2.53 -0.16 0.00 -0.03 0.00 0.00 56.01 53.29 1s4e n LEU 104 Cb 0.01 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1s4e n LEU 104 CO 0.00 0.73 0.04 -0.24 -1.33 0.00 0.00 177.39 176.59 1s4e n SER 105 N 0.35 -5.45 0.32 -1.43 2.88 -1.26 -1.44 113.62 107.59 1s4e n SER 105 Ca 0.20 -0.71 0.19 0.00 -1.33 0.00 0.00 58.87 57.22 1s4e n SER 105 Cb 0.76 -5.09 1.05 0.00 -0.75 0.00 0.00 64.21 60.18 1s4e n SER 105 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s4e h SER 106 N -1.32 0.00 0.15 -3.46 4.64 -1.95 -1.92 113.55 109.70 1s4e h SER 106 Ca -0.61 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1s4e h SER 106 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1s4e h SER 106 CO 0.46 0.01 -0.07 0.77 -0.87 0.00 0.00 176.83 177.12 1s4e h SER 107 N 0.00 -0.17 0.01 4.97 4.64 -1.94 0.16 113.55 121.22 1s4e h SER 107 Ca -0.00 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 1s4e h SER 107 Cb 0.03 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1s4e h SER 107 CO 0.00 0.15 -0.48 0.00 -0.87 0.00 0.00 176.83 175.63 1s4e h ALA 108 N 0.29 0.04 -0.80 5.18 0.00 -1.90 -0.68 119.26 121.40 1s4e h ALA 108 Ca -0.02 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.49 1s4e h ALA 108 Cb 0.39 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.07 1s4e h ALA 108 CO 0.03 0.25 -0.31 1.03 0.00 0.00 0.00 179.25 180.25 1s4e h SER 109 N -0.30 -1.13 0.08 0.00 0.87 -1.39 0.17 113.55 111.85 1s4e h SER 109 Ca -0.06 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1s4e h SER 109 Cb 1.23 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1s4e h SER 109 CO 0.09 -0.29 -0.04 0.15 -0.53 0.00 0.00 176.83 176.21 1s4e h PHE 110 N -0.06 -0.10 0.34 2.24 -0.00 -0.57 -0.64 116.94 118.14 1s4e h PHE 110 Ca 0.32 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.29 1s4e h PHE 110 Cb 0.59 0.03 -0.03 0.00 -0.00 0.00 0.00 35.95 36.54 1s4e h PHE 110 CO -0.72 0.24 -0.45 0.93 -0.00 0.00 0.00 178.31 178.32 1s4e h GLU 111 N -0.46 -0.80 0.00 1.11 5.08 -0.72 -1.45 114.58 117.35 1s4e h GLU 111 Ca -0.01 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s4e h GLU 111 Cb 0.39 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s4e h GLU 111 CO 0.02 -0.53 0.00 -0.39 -1.00 0.00 0.00 179.01 177.11 1s4e h VAL 112 N -0.83 0.00 0.22 3.13 -1.51 -0.73 -0.41 116.25 116.12 1s4e h VAL 112 Ca -0.03 -0.61 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1s4e h VAL 112 Cb 0.76 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1s4e h VAL 112 CO -0.13 0.00 -0.11 1.23 -1.23 0.00 0.00 177.57 177.34 1s4e h GLY 113 N 2.45 -0.31 0.99 5.19 0.00 -0.84 -0.59 103.07 109.97 1s4e h GLY 113 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1s4e h GLY 113 CO 0.00 -0.11 0.21 -2.22 0.00 0.00 0.00 176.54 174.41 1s4e h ILE 114 N -0.33 1.10 -0.55 2.60 1.08 -0.69 -1.55 117.51 119.17 1s4e h ILE 114 Ca -0.03 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1s4e h ILE 114 Cb 0.25 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1s4e h ILE 114 CO 0.05 0.09 0.35 0.25 -0.69 0.00 0.00 178.15 178.20 1s4e h LEU 115 N 0.43 0.57 -0.88 1.44 6.46 -1.02 -1.62 115.31 120.69 1s4e h LEU 115 Ca 0.12 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1s4e h LEU 115 Cb -0.02 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1s4e h LEU 115 CO -0.02 0.41 -0.33 -0.08 -0.62 0.00 0.00 178.44 177.80 1s4e h GLU 116 N 0.69 0.44 -0.17 1.25 4.57 -1.02 0.31 114.58 120.66 1s4e h GLU 116 Ca 0.21 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1s4e h GLU 116 Cb -0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1s4e h GLU 116 CO -0.08 0.72 0.04 0.28 -1.18 0.00 0.00 179.01 178.79 1s4e h VAL 117 N 0.38 0.93 -0.25 0.32 2.07 -0.76 -1.48 116.25 117.46 1s4e h VAL 117 Ca 0.05 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1s4e h VAL 117 Cb 0.76 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1s4e h VAL 117 CO 0.06 0.02 -0.21 -0.07 0.02 0.00 0.00 177.57 177.39 1s4e h LEU 118 N 0.11 0.44 -1.11 2.57 3.38 -0.90 -0.96 115.31 118.85 1s4e h LEU 118 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1s4e h LEU 118 Cb 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1s4e h LEU 118 CO -0.10 0.66 0.43 -1.13 0.09 0.00 0.00 178.44 178.39 1s4e h ASN 119 N 0.41 0.93 0.15 -0.43 -1.24 -0.04 -2.45 115.58 112.91 1s4e h ASN 119 Ca 0.07 -0.07 -0.33 0.00 0.71 0.00 0.00 56.30 56.67 1s4e h ASN 119 Cb 0.59 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1s4e h ASN 119 CO 0.04 0.74 -1.71 1.56 -1.29 0.00 0.00 177.43 176.77 1s4e h GLN 120 N 1.06 0.32 -0.70 6.67 4.20 -0.82 -1.67 115.11 124.16 1s4e h GLN 120 Ca 0.27 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1s4e h GLN 120 Cb 0.01 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1s4e h GLN 120 CO -0.05 1.26 0.45 -0.07 -0.67 0.00 0.00 178.83 179.76 1s4e h LEU 121 N -0.04 0.81 -3.46 1.46 3.38 -1.20 -3.08 115.31 113.18 1s4e h LEU 121 Ca -0.35 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1s4e h LEU 121 Cb 1.98 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1s4e h LEU 121 CO 0.12 0.59 0.02 -1.22 0.09 0.00 0.00 178.44 178.04 1s4e n TYR 122 N -4.59 1.66 -4.10 1.13 4.02 -0.93 -5.00 117.16 109.36 1s4e n TYR 122 Ca 0.06 -0.84 -0.44 0.00 -0.01 0.00 0.00 57.90 56.68 1s4e n TYR 122 Cb 0.02 -0.45 0.01 0.00 -0.02 0.00 0.00 39.34 38.90 1s4e n TYR 122 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1s4e n ASN 123 N 0.09 -3.31 0.19 7.72 3.02 -1.10 -4.86 115.26 117.02 1s4e n ASN 123 Ca 0.26 -1.25 0.11 0.00 -0.03 0.00 0.00 54.58 53.68 1s4e n ASN 123 Cb 1.10 -1.50 0.13 0.00 -0.61 0.00 0.00 39.78 38.90 1s4e n ASN 123 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s4e h LEU 124 N -2.30 0.00 -0.95 3.41 3.38 -1.56 -3.48 115.31 113.81 1s4e h LEU 124 Ca -0.68 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.78 1s4e h LEU 124 Cb 1.33 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 1s4e h LEU 124 CO 0.51 0.03 -0.79 0.59 0.09 0.00 0.00 178.44 178.87 1s4e n ASN 125 N -3.03 -3.81 -4.74 -0.43 3.02 -1.26 -4.88 115.26 100.13 1s4e n ASN 125 Ca 0.03 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1s4e n ASN 125 Cb 0.55 -3.09 -0.02 0.00 -0.61 0.00 0.00 39.78 36.60 1s4e n ASN 125 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s4e s ILE 126 N -3.26 2.62 0.24 2.41 1.01 -1.26 -4.96 121.20 118.00 1s4e s ILE 126 Ca 0.71 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 1s4e s ILE 126 Cb -0.38 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1s4e s ILE 126 CO 0.87 0.07 1.26 -0.62 0.00 0.00 0.00 174.94 176.52 1s4e s ASP 127 N 0.58 6.95 0.21 3.58 2.15 -1.26 -4.86 116.67 124.02 1s4e s ASP 127 Ca 0.62 2.42 -0.19 0.00 0.43 0.00 0.00 52.55 55.84 1s4e s ASP 127 Cb -0.43 -2.62 0.20 0.00 -0.30 0.00 0.00 42.92 39.77 1s4e s ASP 127 CO 0.40 -0.45 1.57 -0.65 -0.17 0.00 0.00 175.17 175.87 1s4e h PRO 128 N 4.68 -0.06 0.00 4.34 0.11 -2.00 -1.52 132.00 137.55 1s4e h PRO 128 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1s4e h PRO 128 Cb 1.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1s4e h PRO 128 CO 0.73 -0.04 -0.16 1.37 -0.21 0.00 0.00 178.00 179.69 1s4e h LEU 129 N -0.06 0.00 -0.88 2.35 -0.00 -2.00 -1.89 115.31 112.83 1s4e h LEU 129 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.18 1s4e h LEU 129 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 1s4e h LEU 129 CO -0.87 0.16 0.53 0.50 -0.00 0.00 0.00 178.44 178.76 1s4e h LYS 130 N 0.00 1.19 -0.66 0.17 3.64 -1.70 0.27 116.57 119.48 1s4e h LYS 130 Ca -0.00 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1s4e h LYS 130 Cb 0.78 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1s4e h LYS 130 CO 0.02 0.84 0.36 0.87 -2.27 0.00 0.00 179.45 179.27 1s4e h LYS 131 N 1.21 0.64 -0.22 1.90 1.57 -0.60 0.10 116.57 121.17 1s4e h LYS 131 Ca 0.31 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1s4e h LYS 131 Cb -0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1s4e h LYS 131 CO -0.06 0.43 -0.17 0.00 -0.57 0.00 0.00 179.45 179.08 1s4e h ALA 132 N 1.35 0.32 -0.28 3.86 0.00 -1.23 -1.59 119.26 121.69 1s4e h ALA 132 Ca 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s4e h ALA 132 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1s4e h ALA 132 CO -0.19 0.22 0.12 -0.07 0.00 0.00 0.00 179.25 179.34 1s4e h LEU 133 N 0.20 0.37 -0.85 0.00 3.38 -0.68 -1.28 115.31 116.44 1s4e h LEU 133 Ca 0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1s4e h LEU 133 Cb 0.70 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1s4e h LEU 133 CO 0.04 0.41 0.54 -0.07 0.09 0.00 0.00 178.44 179.46 1s4e h LEU 134 N 0.31 0.89 -0.23 1.67 3.38 -0.78 -0.93 115.31 119.61 1s4e h LEU 134 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1s4e h LEU 134 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1s4e h LEU 134 CO -0.01 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 179.03 1s4e h ALA 135 N 1.37 0.32 -0.53 1.53 0.00 -1.01 -0.28 119.26 120.66 1s4e h ALA 135 Ca 0.35 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1s4e h ALA 135 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1s4e h ALA 135 CO -0.13 0.15 0.37 -0.22 0.00 0.00 0.00 179.25 179.42 1s4e h LYS 136 N 0.19 0.21 0.08 0.00 3.64 -1.01 -1.58 116.57 118.10 1s4e h LYS 136 Ca 0.05 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.14 1s4e h LYS 136 Cb 0.58 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1s4e h LYS 136 CO 0.03 0.14 -1.16 -0.22 -2.27 0.00 0.00 179.45 175.97 1s4e h LYS 137 N 0.22 0.55 -0.55 1.90 3.64 -0.23 -0.33 116.57 121.77 1s4e h LYS 137 Ca 0.25 -0.70 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1s4e h LYS 137 Cb 0.70 0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 1s4e h LYS 137 CO -0.05 1.30 0.32 0.00 -2.27 0.00 0.00 179.45 178.76 1s4e h ALA 138 N 0.43 0.72 -0.27 5.00 0.00 -0.62 -0.08 119.26 124.44 1s4e h ALA 138 Ca -0.15 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1s4e h ALA 138 Cb 1.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1s4e h ALA 138 CO 0.22 0.02 -0.53 1.49 0.00 0.00 0.00 179.25 180.44 1s4e h GLU 139 N 0.63 0.83 -0.21 0.00 4.81 -1.22 -0.96 114.58 118.46 1s4e h GLU 139 Ca 0.23 -0.54 -0.18 0.00 -0.13 0.00 0.00 59.36 58.75 1s4e h GLU 139 Cb 0.06 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1s4e h GLU 139 CO -0.12 1.17 -0.56 -0.91 -0.73 0.00 0.00 179.01 177.86 1s4e h ASN 140 N 0.60 0.85 0.02 1.04 -0.26 -0.90 -2.08 115.58 114.85 1s4e h ASN 140 Ca 0.01 -0.58 -0.38 0.00 -0.56 0.00 0.00 56.30 54.79 1s4e h ASN 140 Cb 1.14 -0.25 -0.06 0.00 -1.06 0.00 0.00 38.32 38.09 1s4e h ASN 140 CO 0.12 1.28 -2.41 -0.62 -1.06 0.00 0.00 177.43 174.74 1s4e n GLU 141 N -4.09 0.67 0.00 0.81 1.02 -0.06 -4.03 120.64 114.96 1s4e n GLU 141 Ca -0.06 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1s4e n GLU 141 Cb 0.63 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1s4e n GLU 141 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s4e n PHE 142 N -3.24 0.00 -2.00 -0.32 7.35 -0.38 -4.75 117.46 114.11 1s4e n PHE 142 Ca -0.43 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 55.85 1s4e n PHE 142 Cb 1.01 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 40.57 1s4e n PHE 142 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1s4e s VAL 143 N -0.74 2.54 -0.27 -2.13 1.01 -1.09 -4.90 120.40 114.83 1s4e s VAL 143 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1s4e s VAL 143 Cb 0.00 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.20 1s4e s VAL 143 CO 0.00 0.10 2.19 0.61 0.00 0.00 0.00 175.10 178.01 1s4e n GLY 144 N 1.30 3.83 3.41 4.51 0.00 -1.26 -4.06 105.19 112.92 1s4e n GLY 144 Ca 0.03 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1s4e n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4e s VAL 145 N -1.77 3.77 0.14 1.61 1.01 -0.78 -4.99 120.40 119.39 1s4e s VAL 145 Ca 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1s4e s VAL 145 Cb 0.23 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.94 1s4e s VAL 145 CO -0.03 0.43 0.12 -0.81 0.00 0.00 0.00 175.10 174.82 1s4e n PRO 146 N 4.30 -1.37 0.00 2.72 -0.05 -1.26 -3.70 135.00 135.63 1s4e n PRO 146 Ca -0.17 -0.20 0.00 0.00 -0.05 0.00 0.00 63.50 63.08 1s4e n PRO 146 Cb 0.52 -0.19 0.00 0.00 -0.05 0.00 0.00 33.50 33.78 1s4e n PRO 146 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1s4e n GLY 148 N -0.84 -0.42 0.01 0.00 0.00 -1.26 -4.94 105.19 97.74 1s4e n GLY 148 Ca 0.00 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.52 1s4e n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s4e n ILE 149 N 0.00 0.02 -0.31 -0.61 3.06 -1.26 -4.49 119.36 115.78 1s4e n ILE 149 Ca 0.00 -0.22 -0.03 0.00 -2.50 0.00 0.00 62.75 59.99 1s4e n ILE 149 Cb 0.00 0.51 -0.00 0.00 0.54 0.00 0.00 39.64 40.68 1s4e n ILE 149 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 1s4e n LEU 150 N -1.85 -0.61 0.17 9.51 0.00 -1.26 -0.94 117.00 122.01 1s4e n LEU 150 Ca 0.01 1.37 -0.14 0.00 0.00 0.00 0.00 56.01 57.25 1s4e n LEU 150 Cb 0.44 -0.27 -0.07 0.00 0.00 0.00 0.00 43.42 43.52 1s4e n LEU 150 CO 0.44 -1.19 0.75 0.44 0.00 0.00 0.00 177.39 177.82 1s4e h ASP 151 N 0.00 -0.46 0.34 1.96 3.32 -1.99 -1.11 116.42 118.47 1s4e h ASP 151 Ca 0.22 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 1s4e h ASP 151 Cb 0.42 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1s4e h ASP 151 CO -0.76 -0.28 -0.71 1.56 -1.72 0.00 0.00 179.24 177.33 1s4e h GLN 152 N -0.43 0.32 -0.51 3.56 7.50 -1.73 -1.89 115.11 121.94 1s4e h GLN 152 Ca -0.02 -0.26 -0.05 0.00 0.50 0.00 0.00 58.65 58.82 1s4e h GLN 152 Cb 0.37 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1s4e h GLN 152 CO -0.00 0.90 0.11 0.35 -1.50 0.00 0.00 178.83 178.69 1s4e h PHE 153 N 0.22 0.87 -0.09 2.96 3.57 -0.96 -1.51 116.94 122.01 1s4e h PHE 153 Ca -0.02 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1s4e h PHE 153 Cb 1.27 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1s4e h PHE 153 CO 0.03 0.78 0.04 0.00 -2.23 0.00 0.00 178.31 176.94 1s4e h ALA 154 N 0.99 0.12 -0.46 2.41 0.00 -0.98 0.12 119.26 121.46 1s4e h ALA 154 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1s4e h ALA 154 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s4e h ALA 154 CO 0.01 -0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.22 1s4e h VAL 155 N 0.00 1.24 -0.01 0.00 2.07 -1.28 -1.62 116.25 116.65 1s4e h VAL 155 Ca 0.03 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1s4e h VAL 155 Cb 0.15 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1s4e h VAL 155 CO -0.00 0.35 -0.15 0.58 0.02 0.00 0.00 177.57 178.36 1s4e h VAL 156 N 0.70 1.54 -0.51 2.57 2.07 -1.24 0.84 116.25 122.22 1s4e h VAL 156 Ca 0.14 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1s4e h VAL 156 Cb 0.44 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1s4e h VAL 156 CO 0.02 0.49 0.00 0.49 0.02 0.00 0.00 177.57 178.59 1s4e n PHE 157 N -4.60 0.67 -1.55 1.57 3.01 0.41 -3.97 117.46 113.01 1s4e n PHE 157 Ca -0.09 -0.36 -0.41 0.00 1.01 0.00 0.00 57.45 57.59 1s4e n PHE 157 Cb 0.44 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 1s4e n PHE 157 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4e n GLY 158 N 1.46 -0.67 3.00 1.37 0.00 -0.62 -4.71 105.19 105.02 1s4e n GLY 158 Ca 0.20 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 1s4e n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4e s LYS 159 N -1.90 1.11 0.16 1.61 2.20 -0.74 -0.73 119.74 121.44 1s4e s LYS 159 Ca 0.64 -0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.80 1s4e s LYS 159 Cb -0.57 -1.01 0.15 0.00 -1.51 0.00 0.00 37.83 34.89 1s4e s LYS 159 CO 0.56 0.08 1.09 1.17 -0.36 0.00 0.00 175.35 177.90 1s4e n LYS 160 N 3.47 -0.18 -2.47 4.03 0.00 -1.21 -1.55 118.16 120.25 1s4e n LYS 160 Ca -0.20 1.08 -0.24 0.00 0.00 0.00 0.00 58.31 58.95 1s4e n LYS 160 Cb 0.53 -1.61 0.01 0.00 0.00 0.00 0.00 35.03 33.96 1s4e n LYS 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1s4e n ASP 161 N -5.02 4.29 -4.06 3.14 8.00 -1.26 -3.92 116.55 117.72 1s4e n ASP 161 Ca 0.07 -3.58 -0.07 0.00 0.71 0.00 0.00 54.79 51.91 1s4e n ASP 161 Cb 0.27 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.82 1s4e n ASP 161 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1s4e s ASN 162 N -3.50 0.43 0.35 -2.24 0.01 -0.59 -0.29 114.94 109.11 1s4e s ASN 162 Ca 0.45 -0.95 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 1s4e s ASN 162 Cb 0.41 0.22 -0.04 0.00 0.41 0.00 0.00 41.25 42.25 1s4e s ASN 162 CO -0.14 -0.62 0.21 0.68 -1.51 0.00 0.00 177.10 175.72 1s4e s VAL 163 N -3.91 3.12 -0.26 1.60 -7.23 -0.37 -4.61 120.40 108.74 1s4e s VAL 163 Ca 0.07 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1s4e s VAL 163 Cb 0.08 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1s4e s VAL 163 CO -0.10 -0.16 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.88 1s4e s ILE 164 N -2.40 3.15 -0.05 -0.62 1.01 0.05 -1.47 121.20 120.88 1s4e s ILE 164 Ca 0.40 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1s4e s ILE 164 Cb -0.03 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1s4e s ILE 164 CO 0.24 0.19 0.88 0.12 0.00 0.00 0.00 174.94 176.38 1s4e s PHE 165 N 1.37 3.59 -0.07 3.97 5.36 -0.08 -2.91 117.98 129.22 1s4e s PHE 165 Ca 0.01 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1s4e s PHE 165 Cb -0.17 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 1s4e s PHE 165 CO -0.03 -0.03 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.49 1s4e s LEU 166 N 1.18 1.13 -0.59 6.12 0.20 -0.25 -1.83 118.68 124.63 1s4e s LEU 166 Ca 0.46 -0.17 -0.23 0.00 0.69 0.00 0.00 54.13 54.88 1s4e s LEU 166 Cb -0.19 -0.56 0.06 0.00 -0.43 0.00 0.00 46.19 45.07 1s4e s LEU 166 CO 0.22 -0.09 0.92 -0.62 -0.29 0.00 0.00 176.35 176.48 1s4e s ASP 167 N 1.32 6.25 0.00 3.68 -1.08 -0.75 -1.97 116.67 124.12 1s4e s ASP 167 Ca -0.04 -0.71 0.13 0.00 -0.52 0.00 0.00 52.55 51.41 1s4e s ASP 167 Cb -0.14 -2.41 0.55 0.00 -1.46 0.00 0.00 42.92 39.47 1s4e s ASP 167 CO -0.02 -1.29 1.41 0.35 0.52 0.00 0.00 175.17 176.14 1s4e n THR 168 N 6.00 1.10 0.02 1.71 -2.24 -0.89 0.62 114.28 120.61 1s4e n THR 168 Ca -0.02 0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1s4e n THR 168 Cb 0.46 -1.05 -0.14 0.00 -2.10 0.00 0.00 70.33 67.50 1s4e n THR 168 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1s4e h GLN 169 N 0.00 0.15 0.00 -0.78 4.15 -1.78 -3.39 115.11 113.46 1s4e h GLN 169 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1s4e h GLN 169 Cb 0.22 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1s4e h GLN 169 CO 0.00 0.91 -0.47 0.25 -1.93 0.00 0.00 178.83 177.58 1s4e n THR 170 N -3.31 0.00 -0.91 2.39 -2.24 -0.96 -4.98 114.28 104.27 1s4e n THR 170 Ca -0.19 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1s4e n THR 170 Cb 1.04 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.25 1s4e n THR 170 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s4e n LEU 171 N -1.24 0.84 -4.75 3.22 4.77 0.20 -4.97 117.00 115.07 1s4e n LEU 171 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1s4e n LEU 171 Cb 0.15 -1.98 -0.02 0.00 -2.33 0.00 0.00 43.42 39.24 1s4e n LEU 171 CO 0.19 -0.75 1.12 -1.58 -1.33 0.00 0.00 177.39 175.04 1s4e s GLN 172 N -1.50 4.23 0.19 3.23 0.74 -1.24 -4.84 119.66 120.48 1s4e s GLN 172 Ca 0.00 2.37 -0.06 0.00 0.05 0.00 0.00 55.36 57.73 1s4e s GLN 172 Cb 0.00 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 1s4e s GLN 172 CO 0.00 -0.44 0.24 1.52 -0.55 0.00 0.00 175.29 176.06 1s4e s TYR 173 N -0.27 0.75 -0.25 1.67 -0.85 -1.26 -1.81 117.35 115.33 1s4e s TYR 173 Ca 0.58 -1.06 -0.19 0.00 -0.52 0.00 0.00 57.07 55.88 1s4e s TYR 173 Cb -0.43 -0.25 0.07 0.00 0.38 0.00 0.00 41.96 41.73 1s4e s TYR 173 CO 0.48 -0.73 0.64 -2.00 -1.52 0.00 0.00 175.55 172.41 1s4e s GLU 174 N -4.07 0.71 0.17 -3.49 2.12 -0.76 -5.00 118.70 108.38 1s4e s GLU 174 Ca 0.28 0.99 -0.19 0.00 0.36 0.00 0.00 54.97 56.40 1s4e s GLU 174 Cb 0.04 0.27 -0.08 0.00 0.26 0.00 0.00 34.13 34.62 1s4e s GLU 174 CO 0.07 -0.11 0.67 0.71 -0.54 0.00 0.00 175.26 176.05 1s4e s TYR 175 N 0.82 3.71 -0.10 5.30 1.51 -1.26 -0.90 117.35 126.43 1s4e s TYR 175 Ca -0.04 1.34 -0.00 0.00 -1.01 0.00 0.00 57.07 57.36 1s4e s TYR 175 Cb -0.05 -2.57 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1s4e s TYR 175 CO -0.07 0.43 -0.07 0.42 -1.11 0.00 0.00 175.55 175.16 1s4e s ILE 176 N -1.38 0.90 0.51 2.71 1.01 -0.54 -4.94 121.20 119.46 1s4e s ILE 176 Ca 0.38 -0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 1s4e s ILE 176 Cb -0.18 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 1s4e s ILE 176 CO 0.21 0.34 1.39 -2.65 0.00 0.00 0.00 174.94 174.23 1s4e n PRO 177 N 4.77 1.92 -4.65 2.79 -0.02 -1.26 -1.24 135.00 137.31 1s4e n PRO 177 Ca -0.14 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 1s4e n PRO 177 Cb 0.50 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 1s4e n PRO 177 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s4e s PHE 178 N -1.25 2.79 0.19 6.00 5.36 0.60 -4.81 117.98 126.87 1s4e s PHE 178 Ca 0.67 -0.85 -0.33 0.00 -0.96 0.00 0.00 56.93 55.47 1s4e s PHE 178 Cb -0.43 -1.87 -0.13 0.00 -0.34 0.00 0.00 43.02 40.25 1s4e s PHE 178 CO 0.53 -0.35 1.63 -0.35 -1.46 0.00 0.00 175.22 175.21 1s4e n PRO 179 N 3.82 2.40 0.22 10.12 -0.04 -1.26 -4.78 135.00 145.48 1s4e n PRO 179 Ca -0.19 0.87 0.15 0.00 -0.04 0.00 0.00 63.50 64.29 1s4e n PRO 179 Cb 0.52 -2.66 0.67 0.00 -0.04 0.00 0.00 33.50 31.99 1s4e n PRO 179 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1s4e h LYS 180 N 6.17 0.00 -0.48 0.54 1.57 -1.97 -2.45 116.57 119.95 1s4e h LYS 180 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1s4e h LYS 180 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1s4e h LYS 180 CO 0.91 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.39 1s4e n ASP 181 N -2.68 3.15 -4.24 0.86 5.75 -1.26 -4.73 116.55 113.40 1s4e n ASP 181 Ca 0.00 -1.96 -0.33 0.00 -0.01 0.00 0.00 54.79 52.49 1s4e n ASP 181 Cb 0.22 -0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 39.84 1s4e n ASP 181 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1s4e s VAL 182 N -1.37 2.62 0.09 2.12 1.01 -0.92 -2.42 120.40 121.53 1s4e s VAL 182 Ca 0.39 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1s4e s VAL 182 Cb 0.21 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1s4e s VAL 182 CO 0.29 0.51 0.40 -0.44 0.00 0.00 0.00 175.10 175.86 1s4e s SER 183 N 1.02 6.62 -0.26 3.32 0.01 -0.26 -4.82 113.70 119.33 1s4e s SER 183 Ca -0.01 0.77 -0.18 0.00 1.31 0.00 0.00 55.95 57.84 1s4e s SER 183 Cb -0.15 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1s4e s SER 183 CO -0.03 0.15 0.51 -0.69 0.41 0.00 0.00 173.24 173.58 1s4e s VAL 184 N -1.45 5.08 -0.45 3.43 1.01 -1.25 -2.55 120.40 124.21 1s4e s VAL 184 Ca 0.35 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 1s4e s VAL 184 Cb -0.14 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1s4e s VAL 184 CO 0.19 0.10 0.43 -0.22 0.00 0.00 0.00 175.10 175.60 1s4e s LEU 185 N 2.24 5.19 -0.19 3.92 1.98 0.25 -2.32 118.68 129.75 1s4e s LEU 185 Ca 0.21 -0.98 -0.27 0.00 -2.89 0.00 0.00 54.13 50.20 1s4e s LEU 185 Cb -0.16 -2.28 -0.00 0.00 0.66 0.00 0.00 46.19 44.41 1s4e s LEU 185 CO 0.09 -0.64 0.93 -0.69 -1.89 0.00 0.00 176.35 174.16 1s4e s VAL 186 N 1.97 4.79 -0.30 1.68 1.01 -0.41 -1.68 120.40 127.46 1s4e s VAL 186 Ca 0.09 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1s4e s VAL 186 Cb -0.20 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.02 1s4e s VAL 186 CO 0.10 -0.07 -0.02 0.12 0.00 0.00 0.00 175.10 175.23 1s4e s PHE 187 N 2.61 3.39 -0.33 5.22 5.36 0.10 -0.54 117.98 133.79 1s4e s PHE 187 Ca 0.41 -2.33 -0.21 0.00 -0.96 0.00 0.00 56.93 53.84 1s4e s PHE 187 Cb -0.16 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.24 1s4e s PHE 187 CO 0.10 -0.88 0.68 -0.47 -1.46 0.00 0.00 175.22 173.20 1s4e s TYR 188 N 1.11 3.17 -0.15 10.12 5.04 0.08 -0.45 117.35 136.28 1s4e s TYR 188 Ca -0.03 0.54 0.28 0.00 -2.44 0.00 0.00 57.07 55.42 1s4e s TYR 188 Cb -0.20 -3.14 1.29 0.00 0.35 0.00 0.00 41.96 40.26 1s4e s TYR 188 CO -0.04 -0.58 1.84 1.79 -1.34 0.00 0.00 175.55 177.21 1s4e h THR 189 N 5.63 0.00 -0.13 4.34 1.35 -1.51 -2.31 112.91 120.28 1s4e h THR 189 Ca -0.26 -0.20 -0.06 0.00 -0.55 0.00 0.00 66.41 65.35 1s4e h THR 189 Cb 1.11 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1s4e h THR 189 CO 0.84 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.67 1s4e n GLY 190 N -0.47 0.57 3.31 5.82 0.00 -1.26 -4.21 105.19 108.96 1s4e n GLY 190 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1s4e n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4e s VAL 191 N -1.92 2.54 -0.20 1.61 1.01 -1.26 -4.45 120.40 117.73 1s4e s VAL 191 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1s4e s VAL 191 Cb 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.48 1s4e s VAL 191 CO 0.00 0.55 0.36 -0.75 0.00 0.00 0.00 175.10 175.26 1s4e s LYS 192 N 0.13 0.29 0.41 2.72 2.20 -1.26 -1.76 119.74 122.47 1s4e s LYS 192 Ca -0.10 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.32 1s4e s LYS 192 Cb -0.16 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 1s4e s LYS 192 CO 0.06 -0.44 0.28 1.03 -0.36 0.00 0.00 175.35 175.91 1s4e s ARG 193 N 2.53 2.39 0.11 4.03 0.52 -1.26 -5.06 118.95 122.21 1s4e s ARG 193 Ca 0.05 -1.67 -0.13 0.00 -0.52 0.00 0.00 55.73 53.46 1s4e s ARG 193 Cb -0.14 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.03 1s4e s ARG 193 CO -0.13 -0.14 1.37 0.93 0.02 0.00 0.00 175.30 177.35 1s4e h GLU 194 N 1.23 0.79 -0.34 3.54 5.08 -2.02 -3.00 114.58 119.87 1s4e h GLU 194 Ca -0.42 -0.52 0.08 0.00 -1.00 0.00 0.00 59.36 57.50 1s4e h GLU 194 Cb 1.26 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1s4e h GLU 194 CO 0.63 1.15 -0.04 1.28 -1.00 0.00 0.00 179.01 181.03 1s4e n LEU 195 N -4.08 -0.08 -0.21 1.33 4.77 -1.26 -3.64 117.00 113.83 1s4e n LEU 195 Ca -0.05 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.50 1s4e n LEU 195 Cb 0.61 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1s4e n LEU 195 CO 0.49 -0.57 1.02 0.00 -1.33 0.00 0.00 177.39 177.00 1s4e h ALA 196 N 0.67 0.81 0.00 -1.18 0.00 -1.88 -0.99 119.26 116.70 1s4e h ALA 196 Ca 0.18 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1s4e h ALA 196 Cb 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s4e h ALA 196 CO -0.33 -0.13 -0.84 0.66 0.00 0.00 0.00 179.25 178.61 1s4e h SER 197 N 0.48 0.04 0.29 0.00 4.64 -1.84 -2.49 113.55 114.68 1s4e h SER 197 Ca 0.30 -0.03 -0.33 0.00 -0.47 0.00 0.00 61.79 61.25 1s4e h SER 197 Cb 0.32 -0.01 0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1s4e h SER 197 CO -0.26 0.86 -1.48 0.77 -0.87 0.00 0.00 176.83 175.85 1s4e h SER 198 N 0.02 0.81 -1.00 4.97 4.64 -1.50 -2.79 113.55 118.70 1s4e h SER 198 Ca -0.01 -0.88 0.09 0.00 -0.47 0.00 0.00 61.79 60.51 1s4e h SER 198 Cb 1.47 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1s4e h SER 198 CO 0.11 1.69 0.64 -0.33 -0.87 0.00 0.00 176.83 178.07 1s4e h GLU 199 N 0.14 1.07 -0.63 4.77 4.39 -1.26 -0.59 114.58 122.47 1s4e h GLU 199 Ca -0.25 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1s4e h GLU 199 Cb 2.16 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 30.53 1s4e h GLU 199 CO 0.27 0.71 0.41 -0.92 -1.16 0.00 0.00 179.01 178.31 1s4e h TYR 200 N 1.10 0.77 -0.12 4.33 3.20 -1.47 0.35 116.97 125.13 1s4e h TYR 200 Ca 0.46 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.26 1s4e h TYR 200 Cb 0.30 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1s4e h TYR 200 CO -0.00 0.47 -0.33 0.00 -1.64 0.00 0.00 178.16 176.66 1s4e h ALA 201 N 1.24 1.24 -0.00 1.82 0.00 -1.14 -1.19 119.26 121.23 1s4e h ALA 201 Ca 0.24 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1s4e h ALA 201 Cb -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s4e h ALA 201 CO -0.07 0.52 -1.01 0.93 0.00 0.00 0.00 179.25 179.61 1s4e h GLU 202 N 0.20 0.64 -0.64 0.00 4.39 -0.55 -1.62 114.58 117.01 1s4e h GLU 202 Ca 0.03 -0.68 0.01 0.00 0.34 0.00 0.00 59.36 59.05 1s4e h GLU 202 Cb 0.68 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1s4e h GLU 202 CO 0.05 1.28 0.42 0.00 -1.16 0.00 0.00 179.01 179.60 1s4e h ARG 203 N 0.36 0.83 -0.26 2.33 2.47 -0.76 -1.94 114.38 117.41 1s4e h ARG 203 Ca -0.12 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.43 1s4e h ARG 203 Cb 1.66 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.78 1s4e h ARG 203 CO 0.19 0.55 -0.35 -0.22 0.56 0.00 0.00 179.97 180.70 1s4e h LYS 204 N 0.86 0.58 -0.33 0.04 3.64 -1.17 -1.70 116.57 118.49 1s4e h LYS 204 Ca 0.23 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1s4e h LYS 204 Cb -0.09 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1s4e h LYS 204 CO -0.05 0.85 -0.27 -0.09 -2.27 0.00 0.00 179.45 177.63 1s4e h ARG 205 N 0.49 0.76 0.00 1.90 2.43 -1.13 -1.39 114.38 117.44 1s4e h ARG 205 Ca 0.05 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 1s4e h ARG 205 Cb 0.84 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1s4e h ARG 205 CO 0.07 1.00 -0.61 0.82 -1.51 0.00 0.00 179.97 179.74 1s4e h ILE 206 N 0.53 1.43 0.08 1.20 2.04 -1.18 0.42 117.51 122.03 1s4e h ILE 206 Ca 0.06 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 1s4e h ILE 206 Cb 0.83 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1s4e h ILE 206 CO 0.07 0.60 -0.04 0.00 0.00 0.00 0.00 178.15 178.78 1s4e h ALA 207 N 1.39 -0.10 -0.86 1.87 0.00 -1.23 -0.56 119.26 119.77 1s4e h ALA 207 Ca -0.01 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1s4e h ALA 207 Cb 1.08 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1s4e h ALA 207 CO 0.08 -0.36 -0.24 0.93 0.00 0.00 0.00 179.25 179.67 1s4e h GLU 208 N -0.51 -0.01 -0.22 0.00 5.08 -0.97 -1.24 114.58 116.72 1s4e h GLU 208 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1s4e h GLU 208 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1s4e h GLU 208 CO 0.02 -0.01 -0.47 0.93 -1.00 0.00 0.00 179.01 178.48 1s4e h GLU 209 N -0.01 0.57 -0.00 2.33 5.08 -0.65 -2.46 114.58 119.43 1s4e h GLU 209 Ca 0.40 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s4e h GLU 209 Cb 0.63 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1s4e h GLU 209 CO -0.89 0.92 0.00 0.77 -1.00 0.00 0.00 179.01 178.81 1s4e h SER 210 N 0.45 0.00 -0.57 1.42 0.02 -0.27 -2.38 113.55 112.22 1s4e h SER 210 Ca 0.03 -0.25 0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1s4e h SER 210 Cb 1.00 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 1s4e h SER 210 CO 0.09 0.25 0.13 -0.07 -1.14 0.00 0.00 176.83 176.09 1s4e h LEU 211 N -0.25 0.03 -1.09 5.07 3.38 -1.12 -2.13 115.31 119.21 1s4e h LEU 211 Ca 0.00 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1s4e h LEU 211 Cb 0.25 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1s4e h LEU 211 CO 0.00 0.03 0.00 0.03 0.09 0.00 0.00 178.44 178.59 1s4e h ARG 212 N 0.27 0.65 -0.37 1.13 3.08 -1.33 -0.18 114.38 117.63 1s4e h ARG 212 Ca 0.30 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1s4e h ARG 212 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1s4e h ARG 212 CO -0.37 0.66 0.08 0.82 -1.07 0.00 0.00 179.97 180.10 1s4e h ILE 213 N 0.61 1.23 0.00 2.04 2.04 -0.92 -2.47 117.51 120.04 1s4e h ILE 213 Ca 0.13 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1s4e h ILE 213 Cb 0.38 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1s4e h ILE 213 CO 0.01 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.36 1s4e h LEU 214 N 0.45 0.00 -1.29 1.44 3.38 -1.20 -3.47 115.31 114.62 1s4e h LEU 214 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 1s4e h LEU 214 Cb 0.32 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.17 1s4e h LEU 214 CO 0.00 0.00 -0.51 0.61 0.09 0.00 0.00 178.44 178.64 1s4e n GLY 215 N 0.53 -0.11 3.17 0.83 0.00 -0.17 -5.04 105.19 104.40 1s4e n GLY 215 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1s4e n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4e s LYS 216 N -5.48 0.84 0.02 1.61 1.02 -0.64 -5.04 119.74 112.07 1s4e s LYS 216 Ca 0.23 -1.17 0.22 0.00 0.02 0.00 0.00 55.97 55.26 1s4e s LYS 216 Cb -0.10 -0.49 -0.21 0.00 -0.52 0.00 0.00 37.83 36.52 1s4e s LYS 216 CO 0.51 0.07 0.72 0.39 -0.92 0.00 0.00 175.35 176.12 1s4e n GLU 217 N 0.50 0.46 -4.15 1.68 1.02 -1.26 -4.55 120.64 114.34 1s4e n GLU 217 Ca -0.16 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 56.79 1s4e n GLU 217 Cb 0.58 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 1s4e n GLU 217 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s4e s SER 218 N -4.21 0.22 0.00 1.62 0.15 -1.26 -4.76 113.70 105.46 1s4e s SER 218 Ca -0.02 -1.24 0.27 0.00 0.70 0.00 0.00 55.95 55.66 1s4e s SER 218 Cb 0.14 0.34 0.88 0.00 -1.71 0.00 0.00 66.02 65.67 1s4e s SER 218 CO 0.87 -0.79 1.65 -1.54 1.20 0.00 0.00 173.24 174.63 1s4e n SER 219 N -0.17 0.52 0.20 5.45 3.41 -0.24 -3.74 113.62 119.05 1s4e n SER 219 Ca -0.03 -0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.31 1s4e n SER 219 Cb 0.64 0.01 0.34 0.00 -0.26 0.00 0.00 64.21 64.94 1s4e n SER 219 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1s4e h LYS 220 N 0.40 0.00 0.00 4.33 1.57 -1.82 -3.19 116.57 117.86 1s4e h LYS 220 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s4e h LYS 220 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1s4e h LYS 220 CO 0.00 0.30 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 1s4e n GLU 221 N -3.37 0.01 -3.56 3.15 1.02 -1.25 -4.90 120.64 111.75 1s4e n GLU 221 Ca 0.01 0.42 -0.40 0.00 -0.02 0.00 0.00 57.16 57.17 1s4e n GLU 221 Cb 0.51 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1s4e n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1s4e s VAL 222 N -3.04 5.18 0.61 2.62 1.01 -1.21 -5.07 120.40 120.50 1s4e s VAL 222 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1s4e s VAL 222 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1s4e s VAL 222 CO 0.12 0.04 0.94 -0.89 0.00 0.00 0.00 175.10 175.30 1s4e s THR 223 N 1.71 3.75 0.22 3.92 2.01 -1.26 -4.98 115.64 121.01 1s4e s THR 223 Ca 0.06 0.16 0.25 0.00 0.31 0.00 0.00 61.69 62.48 1s4e s THR 223 Cb -0.17 -3.51 0.26 0.00 0.01 0.00 0.00 72.50 69.09 1s4e s THR 223 CO 0.10 -0.56 1.90 -0.08 -0.69 0.00 0.00 174.62 175.29 1s4e h GLU 224 N -0.26 0.00 -0.14 4.92 4.57 -2.00 -2.78 114.58 118.89 1s4e h GLU 224 Ca -0.45 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.55 1s4e h GLU 224 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1s4e h GLU 224 CO 0.61 0.19 -0.65 -0.22 -1.18 0.00 0.00 179.01 177.76 1s4e h LYS 225 N 0.00 0.54 0.09 1.92 3.64 -2.00 -3.07 116.57 117.69 1s4e h LYS 225 Ca -0.00 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1s4e h LYS 225 Cb 0.62 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1s4e h LYS 225 CO 0.02 1.01 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.74 1s4e h ASP 226 N 0.39 -0.10 -0.60 4.20 3.32 -1.90 -2.46 116.42 119.27 1s4e h ASP 226 Ca -0.02 -0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.15 1s4e h ASP 226 Cb 1.22 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1s4e h ASP 226 CO 0.12 -0.01 0.46 -0.07 -1.72 0.00 0.00 179.24 178.02 1s4e h LEU 227 N -0.19 0.00 -1.56 1.55 3.38 -1.50 0.50 115.31 117.50 1s4e h LEU 227 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1s4e h LEU 227 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1s4e h LEU 227 CO 0.02 0.00 -0.23 1.23 0.09 0.00 0.00 178.44 179.55 1s4e h GLY 228 N 0.00 0.00 1.75 0.83 0.00 -1.34 -2.86 103.07 101.45 1s4e h GLY 228 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1s4e h GLY 228 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1s4e n LYS 229 N -4.17 0.20 -3.44 4.80 5.02 0.18 -4.86 118.16 115.88 1s4e n LYS 229 Ca -0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1s4e n LYS 229 Cb 0.29 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1s4e n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s4e s LEU 230 N -2.75 4.26 0.91 -0.35 1.43 -1.08 -5.00 118.68 116.11 1s4e s LEU 230 Ca 0.18 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1s4e s LEU 230 Cb 0.16 -3.40 0.14 0.00 0.03 0.00 0.00 46.19 43.11 1s4e s LEU 230 CO 0.40 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 1s4e s PRO 231 N -2.37 1.10 0.14 1.29 0.04 -1.26 -4.67 135.00 129.27 1s4e s PRO 231 Ca 0.41 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1s4e s PRO 231 Cb -0.13 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1s4e s PRO 231 CO 0.20 -2.35 1.57 -1.35 0.04 0.00 0.00 177.00 175.12 1s4e h PRO 232 N -1.63 -0.39 -0.18 0.56 0.11 -1.98 0.43 132.00 128.92 1s4e h PRO 232 Ca -0.50 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1s4e h PRO 232 Cb 1.29 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1s4e h PRO 232 CO 0.54 -0.26 -0.39 1.25 -0.21 0.00 0.00 178.00 178.93 1s4e h LEU 233 N -0.41 0.42 -0.55 2.35 5.85 -1.99 -1.05 115.31 119.93 1s4e h LEU 233 Ca 0.10 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.49 1s4e h LEU 233 Cb 0.61 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1s4e h LEU 233 CO -0.52 0.77 -0.56 0.45 -0.34 0.00 0.00 178.44 178.24 1s4e h HIS 234 N 0.34 0.61 -0.50 1.25 3.86 -1.83 -2.33 115.15 116.55 1s4e h HIS 234 Ca 0.03 -0.22 -0.13 0.00 -1.16 0.00 0.00 60.37 58.89 1s4e h HIS 234 Cb 0.83 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1s4e h HIS 234 CO 0.02 0.94 -0.19 -0.09 0.86 0.00 0.00 177.93 179.47 1s4e h ARG 235 N 0.37 1.00 0.11 2.45 2.43 -0.58 -0.03 114.38 120.14 1s4e h ARG 235 Ca 0.00 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1s4e h ARG 235 Cb 1.10 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1s4e h ARG 235 CO 0.10 1.10 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.39 1s4e h LYS 236 N 0.87 -0.15 -0.03 0.20 3.64 -0.92 -0.58 116.57 119.60 1s4e h LYS 236 Ca 0.12 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1s4e h LYS 236 Cb 0.77 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1s4e h LYS 236 CO 0.06 0.01 -0.66 0.74 -2.27 0.00 0.00 179.45 177.33 1s4e h PHE 237 N -0.28 0.18 0.00 1.91 0.05 -1.43 -3.11 116.94 114.27 1s4e h PHE 237 Ca -0.02 -0.08 -0.15 0.00 3.82 0.00 0.00 57.97 61.55 1s4e h PHE 237 Cb 0.22 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 1s4e h PHE 237 CO -0.03 0.76 -0.80 0.35 -0.18 0.00 0.00 178.31 178.41 1s4e h PHE 238 N 0.09 0.00 -0.66 -0.55 3.57 -0.86 -3.16 116.94 115.37 1s4e h PHE 238 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1s4e h PHE 238 Cb 1.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1s4e h PHE 238 CO 0.01 0.67 0.11 0.77 -2.23 0.00 0.00 178.31 177.64 1s4e h SER 239 N 0.00 1.04 -0.23 0.41 0.02 -1.03 -1.74 113.55 112.02 1s4e h SER 239 Ca -0.04 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1s4e h SER 239 Cb 1.54 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 1s4e h SER 239 CO 0.08 1.03 -0.25 0.22 -1.14 0.00 0.00 176.83 176.78 1s4e h TYR 240 N 1.02 -0.66 -0.95 3.45 3.20 -1.53 -1.45 116.97 120.07 1s4e h TYR 240 Ca 0.20 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1s4e h TYR 240 Cb 0.43 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 1s4e h TYR 240 CO 0.03 -0.32 0.62 0.82 -1.64 0.00 0.00 178.16 177.67 1s4e h ILE 241 N -0.26 1.12 -0.29 1.81 2.04 -1.33 0.10 117.51 120.71 1s4e h ILE 241 Ca 0.13 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1s4e h ILE 241 Cb 0.46 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1s4e h ILE 241 CO -0.38 0.21 -0.36 0.58 0.00 0.00 0.00 178.15 178.21 1s4e h VAL 242 N 1.14 1.30 -0.68 1.67 2.07 -1.04 -0.68 116.25 120.04 1s4e h VAL 242 Ca 0.39 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1s4e h VAL 242 Cb 0.09 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1s4e h VAL 242 CO -0.13 0.49 0.39 0.03 0.02 0.00 0.00 177.57 178.37 1s4e h ARG 243 N 0.49 0.92 -0.28 1.57 3.08 -0.52 -2.65 114.38 117.00 1s4e h ARG 243 Ca 0.04 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1s4e h ARG 243 Cb 0.94 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1s4e h ARG 243 CO 0.08 0.67 -0.47 0.93 -1.07 0.00 0.00 179.97 180.11 1s4e h GLU 244 N 0.94 0.76 -0.55 0.04 4.39 -0.34 -2.27 114.58 117.54 1s4e h GLU 244 Ca 0.24 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.52 1s4e h GLU 244 Cb -0.00 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1s4e h GLU 244 CO -0.04 1.06 0.37 -0.91 -1.16 0.00 0.00 179.01 178.33 1s4e h ASN 245 N 0.60 0.61 -0.42 1.42 2.35 -0.94 -1.18 115.58 118.02 1s4e h ASN 245 Ca 0.03 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1s4e h ASN 245 Cb 1.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1s4e h ASN 245 CO 0.10 0.43 -0.23 0.00 -1.65 0.00 0.00 177.43 176.09 1s4e h ALA 246 N 1.66 0.74 -0.51 -0.83 0.00 -1.24 -2.83 119.26 116.25 1s4e h ALA 246 Ca 0.21 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1s4e h ALA 246 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1s4e h ALA 246 CO -0.05 0.66 -0.11 0.00 0.00 0.00 0.00 179.25 179.75 1s4e h ARG 247 N 0.80 0.98 -0.55 0.00 3.08 -0.66 -1.86 114.38 116.17 1s4e h ARG 247 Ca 0.10 -0.37 0.09 0.00 0.07 0.00 0.00 59.98 59.87 1s4e h ARG 247 Cb 0.79 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 1s4e h ARG 247 CO 0.07 1.05 0.14 0.28 -1.07 0.00 0.00 179.97 180.43 1s4e h VAL 248 N 0.85 0.72 -0.47 2.04 2.07 -1.20 0.56 116.25 120.82 1s4e h VAL 248 Ca 0.13 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1s4e h VAL 248 Cb 0.68 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1s4e h VAL 248 CO 0.05 0.05 0.16 -0.07 0.02 0.00 0.00 177.57 177.78 1s4e h LEU 249 N 0.28 0.62 -0.18 2.57 3.38 -1.20 -1.68 115.31 119.10 1s4e h LEU 249 Ca 0.28 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1s4e h LEU 249 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s4e h LEU 249 CO -0.34 0.58 -0.31 -0.33 0.09 0.00 0.00 178.44 178.14 1s4e h GLU 250 N 0.67 0.52 -0.56 1.13 4.39 -0.46 -2.83 114.58 117.43 1s4e h GLU 250 Ca 0.16 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1s4e h GLU 250 Cb 0.18 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1s4e h GLU 250 CO -0.01 0.93 0.19 0.28 -1.16 0.00 0.00 179.01 179.24 1s4e h VAL 251 N 0.17 1.21 0.10 3.13 2.07 0.29 -1.87 116.25 121.35 1s4e h VAL 251 Ca 0.01 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1s4e h VAL 251 Cb 0.89 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1s4e h VAL 251 CO 0.07 0.27 -0.08 -0.09 0.02 0.00 0.00 177.57 177.77 1s4e h ARG 252 N 0.82 -0.17 -0.85 1.57 2.43 -1.29 0.16 114.38 117.05 1s4e h ARG 252 Ca 0.19 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1s4e h ARG 252 Cb 0.21 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1s4e h ARG 252 CO -0.01 -0.12 0.56 -0.44 -1.51 0.00 0.00 179.97 178.45 1s4e h ASP 253 N -0.18 0.96 -0.12 -3.80 5.19 -1.26 -2.23 116.42 114.99 1s4e h ASP 253 Ca -0.00 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1s4e h ASP 253 Cb 0.16 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1s4e h ASP 253 CO -0.01 0.70 -0.05 0.00 -3.12 0.00 0.00 179.24 176.76 1s4e h ALA 254 N 1.31 0.16 -0.82 3.45 0.00 -1.05 -2.23 119.26 120.09 1s4e h ALA 254 Ca 0.31 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1s4e h ALA 254 Cb -0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1s4e h ALA 254 CO -0.07 -0.07 0.53 -0.07 0.00 0.00 0.00 179.25 179.57 1s4e h LEU 255 N -0.11 0.72 -0.43 0.00 3.38 -0.56 -0.55 115.31 117.76 1s4e h LEU 255 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1s4e h LEU 255 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s4e h LEU 255 CO 0.02 0.44 -0.56 0.11 0.09 0.00 0.00 178.44 178.53 1s4e h LYS 256 N 0.80 0.00 -0.00 1.13 1.57 -1.10 -1.99 116.57 116.97 1s4e h LYS 256 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1s4e h LYS 256 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1s4e h LYS 256 CO -0.15 0.56 -0.06 0.39 -0.57 0.00 0.00 179.45 179.62 1s4e n GLU 257 N -3.42 0.89 -2.49 3.15 4.71 -0.87 -4.96 120.64 117.65 1s4e n GLU 257 Ca 0.00 -0.28 -0.15 0.00 -0.01 0.00 0.00 57.16 56.72 1s4e n GLU 257 Cb 0.67 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.62 1s4e n GLU 257 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s4e n GLY 258 N 1.20 -0.22 2.97 0.62 0.00 -0.59 -4.95 105.19 104.23 1s4e n GLY 258 Ca 0.17 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1s4e n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4e n ASP 259 N -1.04 6.01 0.31 1.61 -0.08 -0.32 -4.83 116.55 118.21 1s4e n ASP 259 Ca -0.14 -3.31 0.18 0.00 -1.51 0.00 0.00 54.79 50.01 1s4e n ASP 259 Cb 0.62 -1.34 0.99 0.00 2.34 0.00 0.00 41.12 43.73 1s4e n ASP 259 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1s4e h ILE 260 N 3.53 0.25 0.07 5.18 6.09 -1.93 -2.01 117.51 128.69 1s4e h ILE 260 Ca 0.26 -0.16 -0.00 0.00 -1.37 0.00 0.00 64.86 63.58 1s4e h ILE 260 Cb 0.63 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.04 1s4e h ILE 260 CO 1.41 0.02 -0.03 -0.33 -3.07 0.00 0.00 178.15 176.16 1s4e h GLU 261 N 0.00 -0.09 -0.11 2.19 5.08 -1.92 -0.26 114.58 119.47 1s4e h GLU 261 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1s4e h GLU 261 Cb 0.12 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1s4e h GLU 261 CO 0.00 0.21 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.86 1s4e h LYS 262 N -0.38 -0.17 -0.96 2.33 3.64 -1.83 -1.06 116.57 118.14 1s4e h LYS 262 Ca -0.01 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1s4e h LYS 262 Cb 0.33 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1s4e h LYS 262 CO 0.02 -0.11 0.61 0.28 -2.27 0.00 0.00 179.45 177.97 1s4e h VAL 263 N -0.17 0.83 -0.08 2.00 2.07 -1.32 -1.80 116.25 117.78 1s4e h VAL 263 Ca 0.08 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1s4e h VAL 263 Cb 0.29 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1s4e h VAL 263 CO -0.21 0.15 0.00 1.23 0.02 0.00 0.00 177.57 178.76 1s4e h GLY 264 N 0.80 0.14 1.59 2.17 0.00 -0.27 -2.03 103.07 105.48 1s4e h GLY 264 Ca 0.49 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.74 1s4e h GLY 264 CO -0.26 0.09 0.25 0.50 0.00 0.00 0.00 176.54 177.13 1s4e h LYS 265 N -0.14 0.46 -0.06 4.80 1.57 -0.80 -2.54 116.57 119.87 1s4e h LYS 265 Ca 0.02 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1s4e h LYS 265 Cb 0.32 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1s4e h LYS 265 CO 0.00 0.31 -0.56 0.82 -0.57 0.00 0.00 179.45 179.45 1s4e h ILE 266 N 0.48 1.39 -0.88 1.86 2.04 -1.06 -1.72 117.51 119.62 1s4e h ILE 266 Ca 0.15 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 64.13 1s4e h ILE 266 Cb 0.00 2.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 1s4e h ILE 266 CO -0.03 0.58 0.55 -0.07 0.00 0.00 0.00 178.15 179.17 1s4e h LEU 267 N 0.04 0.85 -0.35 1.44 3.38 -1.21 -1.14 115.31 118.33 1s4e h LEU 267 Ca -0.05 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1s4e h LEU 267 Cb 1.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1s4e h LEU 267 CO 0.11 0.54 -0.25 0.74 0.09 0.00 0.00 178.44 179.67 1s4e h THR 268 N 0.98 1.29 -0.99 0.22 2.02 -1.37 0.11 112.91 115.16 1s4e h THR 268 Ca 0.39 -1.40 0.09 0.00 0.77 0.00 0.00 66.41 66.25 1s4e h THR 268 Cb 0.19 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 1s4e h THR 268 CO -0.18 0.46 0.64 0.74 0.37 0.00 0.00 175.52 177.54 1s4e h THR 269 N 0.58 1.02 -0.35 3.16 2.02 -0.93 -1.91 112.91 116.50 1s4e h THR 269 Ca 0.07 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 1s4e h THR 269 Cb 0.81 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1s4e h THR 269 CO 0.07 0.20 -0.31 0.00 0.37 0.00 0.00 175.52 175.85 1s4e h ALA 270 N 1.50 0.51 -0.10 6.16 0.00 -0.56 -1.91 119.26 124.86 1s4e h ALA 270 Ca 0.45 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1s4e h ALA 270 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1s4e h ALA 270 CO -0.20 0.55 -0.11 1.25 0.00 0.00 0.00 179.25 180.73 1s4e h HIS 271 N 0.61 -0.28 -0.10 0.00 6.17 -0.02 -0.86 115.15 120.66 1s4e h HIS 271 Ca 0.06 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 1s4e h HIS 271 Cb 0.89 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.95 1s4e h HIS 271 CO 0.07 -0.17 -0.04 -1.49 0.71 0.00 0.00 177.93 177.00 1s4e h TRP 272 N -0.14 0.15 -0.33 5.26 -0.00 -1.40 -0.18 115.95 119.30 1s4e h TRP 272 Ca 0.07 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.89 58.79 1s4e h TRP 272 Cb 0.25 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.36 1s4e h TRP 272 CO -0.22 0.20 -0.47 0.22 -0.00 0.00 0.00 178.44 178.17 1s4e h ASP 273 N 0.15 0.96 -0.93 -3.49 3.58 -0.60 0.10 116.42 116.19 1s4e h ASP 273 Ca 0.04 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1s4e h ASP 273 Cb 0.18 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1s4e h ASP 273 CO 0.01 1.27 0.54 -0.07 -2.88 0.00 0.00 179.24 178.11 1s4e h LEU 274 N 0.70 1.14 0.02 2.28 3.38 -0.49 -0.97 115.31 121.37 1s4e h LEU 274 Ca 0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1s4e h LEU 274 Cb 1.06 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1s4e h LEU 274 CO 0.11 0.89 -0.31 0.00 0.09 0.00 0.00 178.44 179.21 1s4e h ALA 275 N 1.30 0.02 0.02 1.53 0.00 -0.71 0.99 119.26 122.41 1s4e h ALA 275 Ca 0.33 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1s4e h ALA 275 Cb -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1s4e h ALA 275 CO -0.06 0.13 -1.79 0.39 0.00 0.00 0.00 179.25 177.92 1s4e n GLU 276 N -4.45 0.65 -0.10 0.00 1.02 0.33 -3.51 120.64 114.58 1s4e n GLU 276 Ca -0.10 0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 1s4e n GLU 276 Cb 0.55 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1s4e n GLU 276 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s4e n ASN 277 N -3.09 2.38 0.03 1.62 3.02 -0.39 -4.66 115.26 114.17 1s4e n ASN 277 Ca -0.20 -0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1s4e n ASN 277 Cb 1.06 -0.34 0.06 0.00 -0.61 0.00 0.00 39.78 39.94 1s4e n ASN 277 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s4e n TYR 278 N -3.17 0.31 -3.28 3.10 9.36 -1.05 -4.65 117.16 117.78 1s4e n TYR 278 Ca -0.35 0.09 -0.17 0.00 3.32 0.00 0.00 57.90 60.79 1s4e n TYR 278 Cb 0.85 -0.47 0.06 0.00 -0.63 0.00 0.00 39.34 39.15 1s4e n TYR 278 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1s4e n ARG 279 N -1.97 -5.80 -0.05 2.98 5.12 0.32 -4.93 116.66 112.32 1s4e n ARG 279 Ca 0.02 0.62 0.08 0.00 -1.93 0.00 0.00 57.85 56.63 1s4e n ARG 279 Cb 0.43 -5.01 0.11 0.00 -1.16 0.00 0.00 32.46 26.83 1s4e n ARG 279 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1s4e n VAL 280 N -4.23 1.67 -2.99 1.55 0.24 -1.05 -5.02 118.33 108.50 1s4e n VAL 280 Ca -0.02 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1s4e n VAL 280 Cb 0.55 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1s4e n VAL 280 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1s4e n SER 281 N -1.20 0.27 -3.88 -1.34 2.88 -1.26 -0.31 113.62 108.78 1s4e n SER 281 Ca 0.12 -0.86 -0.09 0.00 -1.33 0.00 0.00 58.87 56.71 1s4e n SER 281 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1s4e n SER 281 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s4e h GLU 283 N 2.19 0.63 0.04 0.00 4.81 -1.99 -1.86 114.58 118.40 1s4e h GLU 283 Ca -0.25 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.69 1s4e h GLU 283 Cb 1.25 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1s4e h GLU 283 CO 0.34 0.42 -1.21 1.05 -0.73 0.00 0.00 179.01 178.88 1s4e h GLU 284 N 0.65 0.09 -0.27 1.92 9.09 -1.99 -2.03 114.58 122.03 1s4e h GLU 284 Ca 0.47 -0.15 -0.09 0.00 0.05 0.00 0.00 59.36 59.64 1s4e h GLU 284 Cb 0.84 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 1s4e h GLU 284 CO -0.23 1.00 -0.20 -0.07 0.05 0.00 0.00 179.01 179.56 1s4e h LEU 285 N 0.02 0.49 -0.62 3.06 3.38 -1.88 -2.38 115.31 117.39 1s4e h LEU 285 Ca -0.10 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1s4e h LEU 285 Cb 1.87 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1s4e h LEU 285 CO 0.14 0.70 -0.63 0.44 0.09 0.00 0.00 178.44 179.18 1s4e h ASP 286 N 0.45 0.25 -0.29 -0.43 3.32 -1.31 -2.57 116.42 115.83 1s4e h ASP 286 Ca 0.07 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 1s4e h ASP 286 Cb 0.60 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1s4e h ASP 286 CO 0.04 0.81 -0.51 0.15 -1.72 0.00 0.00 179.24 178.02 1s4e h PHE 287 N 0.15 1.09 -0.51 4.55 3.57 -1.22 -1.94 116.94 122.64 1s4e h PHE 287 Ca -0.01 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1s4e h PHE 287 Cb 1.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1s4e h PHE 287 CO 0.02 1.20 0.31 0.35 -2.23 0.00 0.00 178.31 177.97 1s4e h PHE 288 N 0.68 0.66 -0.37 0.41 3.57 -1.31 -1.72 116.94 118.87 1s4e h PHE 288 Ca 0.02 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1s4e h PHE 288 Cb 1.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1s4e h PHE 288 CO 0.07 0.45 -0.04 0.28 -2.23 0.00 0.00 178.31 176.84 1s4e h VAL 289 N 0.68 1.27 -0.64 1.41 2.07 -1.39 -1.22 116.25 118.43 1s4e h VAL 289 Ca 0.18 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.73 1s4e h VAL 289 Cb -0.03 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1s4e h VAL 289 CO -0.04 0.36 0.25 0.11 0.02 0.00 0.00 177.57 178.27 1s4e h LYS 290 N 0.49 0.43 -0.15 1.57 6.56 -1.21 -3.02 116.57 121.23 1s4e h LYS 290 Ca 0.10 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.45 1s4e h LYS 290 Cb 0.53 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1s4e h LYS 290 CO 0.03 0.28 -0.74 0.87 -2.06 0.00 0.00 179.45 177.83 1s4e h LYS 291 N 0.44 0.76 -0.82 3.15 6.56 -1.09 -2.27 116.57 123.30 1s4e h LYS 291 Ca 0.32 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1s4e h LYS 291 Cb 0.40 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1s4e h LYS 291 CO -0.31 1.23 0.00 0.00 -2.06 0.00 0.00 179.45 178.31 1s4e n ALA 292 N -2.60 1.06 0.00 3.86 0.00 -0.48 -1.50 120.51 120.85 1s4e n ALA 292 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1s4e n ALA 292 Cb 0.72 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1s4e n ALA 292 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s4e n GLU 294 N 0.65 0.00 -0.29 0.00 1.02 -0.85 -1.77 120.64 119.40 1s4e n GLU 294 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1s4e n GLU 294 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 31.68 1s4e n GLU 294 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s4e n LEU 295 N 0.00 3.58 0.00 -4.62 4.77 -0.56 -4.98 117.00 115.19 1s4e n LEU 295 Ca 0.00 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1s4e n LEU 295 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1s4e n LEU 295 CO 0.00 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1s4e n GLY 296 N 1.32 0.88 3.69 -0.72 0.00 -0.99 -4.98 105.19 104.39 1s4e n GLY 296 Ca 0.20 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1s4e n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e n ALA 297 N -1.34 1.06 -0.20 4.61 0.00 -0.73 -4.88 120.51 119.03 1s4e n ALA 297 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1s4e n ALA 297 Cb 0.00 -2.25 0.27 0.00 0.00 0.00 0.00 19.45 17.47 1s4e n ALA 297 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1s4e h TYR 298 N 1.53 0.90 -1.69 0.00 -1.99 -1.42 -3.47 116.97 110.83 1s4e h TYR 298 Ca -0.49 0.02 0.34 0.00 2.00 0.00 0.00 58.73 60.60 1s4e h TYR 298 Cb 1.31 -0.30 -0.10 0.00 2.00 0.00 0.00 36.73 39.64 1s4e h TYR 298 CO 0.45 0.56 0.87 0.20 -0.00 0.00 0.00 178.16 180.23 1s4e s GLY 299 N -3.41 -0.30 0.14 3.88 0.00 -1.25 -3.58 107.32 102.81 1s4e s GLY 299 Ca -0.11 0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.82 1s4e s GLY 299 CO 0.78 2.25 0.66 0.00 0.00 0.00 0.00 173.10 176.79 1s4e s ALA 300 N -2.23 -1.61 -0.24 3.20 0.00 -1.26 -1.39 121.76 118.23 1s4e s ALA 300 Ca 0.20 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 1s4e s ALA 300 Cb 0.03 0.81 0.15 0.00 0.00 0.00 0.00 23.12 24.11 1s4e s ALA 300 CO -0.03 -0.78 1.17 0.50 0.00 0.00 0.00 175.76 176.62 1s4e s ARG 301 N -3.65 0.35 1.10 0.00 3.52 -0.62 -3.54 118.95 116.11 1s4e s ARG 301 Ca 0.03 0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 1s4e s ARG 301 Cb -0.01 0.17 0.25 0.00 -1.56 0.00 0.00 34.95 33.79 1s4e s ARG 301 CO -0.11 -0.09 1.05 -0.48 -0.81 0.00 0.00 175.30 174.87 1s4e s LEU 302 N -0.63 1.21 -0.00 -0.88 0.05 -1.26 -0.85 118.68 116.31 1s4e s LEU 302 Ca 0.03 1.52 -0.03 0.00 0.05 0.00 0.00 54.13 55.70 1s4e s LEU 302 Cb -0.02 -3.54 -0.00 0.00 -2.05 0.00 0.00 46.19 40.57 1s4e s LEU 302 CO -0.05 -3.86 0.06 0.28 -0.55 0.00 0.00 176.35 172.23 1s4e s THR 303 N -2.59 0.06 0.00 5.48 -1.32 -0.83 -4.65 115.64 111.79 1s4e s THR 303 Ca 0.67 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1s4e s THR 303 Cb -0.23 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1s4e s THR 303 CO 0.62 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1s4e n GLY 304 N 2.12 -1.55 0.29 6.08 0.00 -1.26 -4.38 105.19 106.48 1s4e n GLY 304 Ca -0.19 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 1s4e n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e h ALA 305 N 0.00 1.12 0.00 4.61 0.00 -1.95 -3.45 119.26 119.59 1s4e h ALA 305 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s4e h ALA 305 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s4e h ALA 305 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1s4e n GLY 306 N -0.67 0.50 2.24 0.00 0.00 -1.26 -4.92 105.19 101.08 1s4e n GLY 306 Ca 0.03 -2.25 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 1s4e n GLY 306 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s4e n PHE 307 N 0.75 -0.06 0.00 1.61 3.01 0.57 -4.59 117.46 118.76 1s4e n PHE 307 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s4e n PHE 307 Cb 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.66 1s4e n PHE 307 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4e n GLY 308 N -1.80 0.74 7.00 1.37 0.00 -1.26 -4.23 105.19 107.01 1s4e n GLY 308 Ca -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1s4e n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4e n GLY 309 N 0.00 1.69 3.51 -0.02 0.00 -0.72 -4.89 105.19 104.76 1s4e n GLY 309 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 1s4e n GLY 309 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4e s SER 310 N -4.00 3.42 0.22 1.61 0.01 -1.17 -1.41 113.70 112.38 1s4e s SER 310 Ca 0.00 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.06 1s4e s SER 310 Cb 0.00 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1s4e s SER 310 CO 0.00 -0.28 0.05 0.00 0.41 0.00 0.00 173.24 173.42 1s4e s ALA 311 N -2.75 1.57 0.14 1.44 0.00 0.41 -1.97 121.76 120.59 1s4e s ALA 311 Ca 0.32 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.63 1s4e s ALA 311 Cb 0.04 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1s4e s ALA 311 CO 0.15 -0.38 -0.22 0.96 0.00 0.00 0.00 175.76 176.27 1s4e s ILE 312 N -3.69 1.98 0.07 0.00 -4.36 -0.03 0.03 121.20 115.20 1s4e s ILE 312 Ca 0.31 -1.78 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1s4e s ILE 312 Cb 0.07 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1s4e s ILE 312 CO 0.09 -0.11 -0.14 0.00 0.24 0.00 0.00 174.94 175.03 1s4e s ALA 313 N -1.47 1.16 0.00 2.27 0.00 -0.67 -1.59 121.76 121.46 1s4e s ALA 313 Ca 0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1s4e s ALA 313 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1s4e s ALA 313 CO 0.06 0.16 0.19 -0.51 0.00 0.00 0.00 175.76 175.66 1s4e s LEU 314 N -1.75 4.37 -0.14 0.00 1.43 -0.48 -0.59 118.68 121.52 1s4e s LEU 314 Ca -0.02 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 1s4e s LEU 314 Cb -0.10 -2.67 0.11 0.00 0.03 0.00 0.00 46.19 43.56 1s4e s LEU 314 CO 0.02 0.25 0.91 -0.69 0.23 0.00 0.00 176.35 177.07 1s4e s VAL 315 N -1.35 0.00 0.18 -1.59 1.01 -1.06 -1.01 120.40 116.58 1s4e s VAL 315 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1s4e s VAL 315 Cb -0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 1s4e s VAL 315 CO 0.20 0.00 1.18 -1.81 0.00 0.00 0.00 175.10 174.67 1s4e s ASP 316 N -1.03 7.11 0.20 3.32 1.01 -1.26 -1.11 116.67 124.91 1s4e s ASP 316 Ca -0.04 2.21 -0.17 0.00 0.71 0.00 0.00 52.55 55.26 1s4e s ASP 316 Cb -0.01 -2.61 0.18 0.00 1.01 0.00 0.00 42.92 41.49 1s4e s ASP 316 CO 0.03 -0.35 1.61 0.50 0.21 0.00 0.00 175.17 177.17 1s4e h LYS 317 N 5.22 -0.09 0.00 8.23 3.64 -1.79 0.67 116.57 132.44 1s4e h LYS 317 Ca -0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1s4e h LYS 317 Cb 1.21 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1s4e h LYS 317 CO 0.74 -0.06 0.00 0.38 -2.27 0.00 0.00 179.45 178.24 1s4e h ASP 318 N -0.10 0.00 -0.01 4.20 -0.00 -1.92 -2.45 116.42 116.15 1s4e h ASP 318 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 1s4e h ASP 318 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1s4e h ASP 318 CO -0.65 0.00 -0.51 0.29 -0.00 0.00 0.00 179.24 178.36 1s4e n LYS 319 N -2.38 1.30 -0.03 4.15 5.02 0.12 -4.77 118.16 121.57 1s4e n LYS 319 Ca 0.00 -0.72 -0.09 0.00 -2.02 0.00 0.00 58.31 55.48 1s4e n LYS 319 Cb 0.14 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1s4e n LYS 319 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4e h ALA 320 N 3.24 0.15 -0.45 7.82 0.00 -0.74 -1.92 119.26 127.37 1s4e h ALA 320 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s4e h ALA 320 Cb 0.62 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1s4e h ALA 320 CO 0.00 -0.45 0.08 -0.22 0.00 0.00 0.00 179.25 178.66 1s4e h LYS 321 N 0.04 0.68 -0.42 0.00 3.64 -1.86 0.77 116.57 119.43 1s4e h LYS 321 Ca 0.09 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1s4e h LYS 321 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1s4e h LYS 321 CO -0.16 0.64 -0.33 1.15 -2.27 0.00 0.00 179.45 178.48 1s4e h THR 322 N 0.66 1.27 0.20 1.00 2.02 -1.70 -1.77 112.91 114.59 1s4e h THR 322 Ca 0.15 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1s4e h THR 322 Cb 0.29 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1s4e h THR 322 CO 0.00 0.51 -0.10 0.40 0.37 0.00 0.00 175.52 176.70 1s4e h ILE 323 N 0.80 0.79 -0.58 3.11 2.04 -1.22 -2.75 117.51 119.71 1s4e h ILE 323 Ca 0.08 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.05 1s4e h ILE 323 Cb 0.92 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 1s4e h ILE 323 CO 0.09 0.19 -0.45 1.23 0.00 0.00 0.00 178.15 179.20 1s4e h GLY 324 N -0.83 -0.52 1.22 5.37 0.00 -0.90 -0.14 103.07 107.27 1s4e h GLY 324 Ca -0.03 0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.93 1s4e h GLY 324 CO 0.05 -0.15 0.42 -0.55 0.00 0.00 0.00 176.54 176.30 1s4e h ASP 325 N -0.24 0.61 -0.15 0.19 5.19 -1.40 -0.43 116.42 120.19 1s4e h ASP 325 Ca 0.17 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.49 1s4e h ASP 325 Cb 0.56 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1s4e h ASP 325 CO -0.69 0.41 -0.24 0.00 -3.12 0.00 0.00 179.24 175.61 1s4e h ALA 326 N 1.64 0.23 -0.57 3.45 0.00 -0.98 -2.39 119.26 120.64 1s4e h ALA 326 Ca 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1s4e h ALA 326 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1s4e h ALA 326 CO -0.08 0.20 0.30 0.82 0.00 0.00 0.00 179.25 180.49 1s4e h ILE 327 N 0.04 1.19 -0.22 0.00 2.04 -0.59 -2.46 117.51 117.51 1s4e h ILE 327 Ca 0.01 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1s4e h ILE 327 Cb 0.81 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1s4e h ILE 327 CO 0.05 0.21 0.05 0.25 0.00 0.00 0.00 178.15 178.72 1s4e h LEU 328 N 0.77 0.03 -0.71 1.44 6.46 -1.10 0.00 115.31 122.20 1s4e h LEU 328 Ca 0.20 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1s4e h LEU 328 Cb 0.07 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1s4e h LEU 328 CO -0.03 0.05 0.35 0.03 -0.62 0.00 0.00 178.44 178.22 1s4e h ARG 329 N 0.15 1.02 -0.55 1.25 -0.00 -1.33 0.10 114.38 115.01 1s4e h ARG 329 Ca 0.10 -0.15 -0.09 0.00 -0.50 0.00 0.00 59.98 59.34 1s4e h ARG 329 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.85 1s4e h ARG 329 CO -0.12 0.79 -0.01 1.49 0.00 0.00 0.00 179.97 182.12 1s4e h GLU 330 N 0.99 0.99 -0.12 0.04 4.57 -1.23 -2.34 114.58 117.47 1s4e h GLU 330 Ca 0.24 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1s4e h GLU 330 Cb 0.11 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1s4e h GLU 330 CO -0.03 0.99 -0.19 -0.92 -1.18 0.00 0.00 179.01 177.68 1s4e h TYR 331 N 0.87 0.43 0.00 0.92 3.20 -0.55 -3.02 116.97 118.81 1s4e h TYR 331 Ca 0.15 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1s4e h TYR 331 Cb 0.56 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1s4e h TYR 331 CO 0.04 0.80 0.00 1.28 -1.64 0.00 0.00 178.16 178.64 1s4e n LEU 332 N -4.52 0.59 0.05 2.82 4.32 0.32 -1.32 117.00 119.26 1s4e n LEU 332 Ca -0.07 0.71 0.11 0.00 -0.02 0.00 0.00 56.01 56.74 1s4e n LEU 332 Cb 0.40 -0.70 0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1s4e n LEU 332 CO 0.40 -0.75 -0.01 0.00 -1.22 0.00 0.00 177.39 175.80 1s4e n ALA 333 N -1.77 2.97 -0.05 -1.18 0.00 -0.89 -4.33 120.51 115.26 1s4e n ALA 333 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1s4e n ALA 333 Cb 0.12 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 1s4e n ALA 333 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s4e n LYS 334 N -2.25 0.77 -4.10 0.00 4.81 -0.79 -5.01 118.16 111.60 1s4e n LYS 334 Ca 0.01 -0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.21 1s4e n LYS 334 Cb 0.49 -1.48 -0.12 0.00 0.02 0.00 0.00 35.03 33.93 1s4e n LYS 334 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s4e s PHE 335 N -2.92 0.69 -1.17 5.64 0.40 -0.44 -5.05 117.98 115.12 1s4e s PHE 335 Ca -0.08 -0.42 0.19 0.00 -0.60 0.00 0.00 56.93 56.01 1s4e s PHE 335 Cb 0.09 -0.41 0.74 0.00 0.51 0.00 0.00 43.02 43.95 1s4e s PHE 335 CO 0.81 -0.06 1.65 -1.13 0.70 0.00 0.00 175.22 177.19 1s4e n SER 336 N 1.72 4.83 -4.83 1.36 3.41 -1.26 -4.36 113.62 114.49 1s4e n SER 336 Ca -0.21 -2.44 -0.31 0.00 -0.26 0.00 0.00 58.87 55.65 1s4e n SER 336 Cb 0.55 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1s4e n SER 336 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1s4e s TRP 337 N -1.84 3.21 -1.21 7.33 0.23 -1.26 -4.97 118.94 120.43 1s4e s TRP 337 Ca 0.52 1.41 -0.10 0.00 -2.03 0.00 0.00 56.10 55.90 1s4e s TRP 337 Cb 0.33 -2.86 0.20 0.00 0.03 0.00 0.00 33.47 31.18 1s4e s TRP 337 CO 0.25 -1.09 1.57 1.63 0.96 0.00 0.00 176.95 180.27 1s4e n LYS 338 N -2.92 3.66 -2.24 4.98 5.02 -1.26 -4.93 118.16 120.47 1s4e n LYS 338 Ca 0.07 -3.91 -0.34 0.00 -2.02 0.00 0.00 58.31 52.11 1s4e n LYS 338 Cb 0.54 -2.85 -0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1s4e n LYS 338 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4e s ALA 339 N 0.08 2.75 -0.00 7.82 0.00 -1.26 -4.19 121.76 126.96 1s4e s ALA 339 Ca 0.38 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1s4e s ALA 339 Cb 0.02 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1s4e s ALA 339 CO 0.01 -0.67 0.12 0.15 0.00 0.00 0.00 175.76 175.36 1s4e s LYS 340 N -3.59 0.41 0.13 0.00 3.01 -0.87 -4.97 119.74 113.86 1s4e s LYS 340 Ca 0.67 -0.32 0.10 0.00 -1.01 0.00 0.00 55.97 55.42 1s4e s LYS 340 Cb -0.18 0.17 -0.04 0.00 -1.01 0.00 0.00 37.83 36.76 1s4e s LYS 340 CO 0.29 -0.09 -0.25 1.52 0.51 0.00 0.00 175.35 177.33 1s4e s TYR 341 N -1.14 2.19 -0.06 3.18 -0.85 -1.26 -0.74 117.35 118.68 1s4e s TYR 341 Ca -0.12 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.06 1s4e s TYR 341 Cb -0.07 -1.17 0.01 0.00 0.38 0.00 0.00 41.96 41.11 1s4e s TYR 341 CO 0.01 0.33 -0.11 -0.06 -1.52 0.00 0.00 175.55 174.21 1s4e s PHE 342 N -1.18 1.30 -0.31 -3.49 0.40 0.30 -5.01 117.98 109.99 1s4e s PHE 342 Ca 0.13 -0.46 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 1s4e s PHE 342 Cb -0.10 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 1s4e s PHE 342 CO 0.06 -0.26 0.61 0.08 0.70 0.00 0.00 175.22 176.42 1s4e s VAL 343 N 0.70 4.95 0.22 -0.44 1.01 -1.26 -1.29 120.40 124.29 1s4e s VAL 343 Ca -0.14 0.79 0.11 0.00 0.00 0.00 0.00 61.98 62.75 1s4e s VAL 343 Cb -0.15 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1s4e s VAL 343 CO 0.03 -0.15 -0.22 0.54 0.00 0.00 0.00 175.10 175.31 1s4e s VAL 344 N 2.58 2.46 0.02 2.92 0.11 -0.98 -5.02 120.40 122.50 1s4e s VAL 344 Ca 0.24 -2.11 0.04 0.00 -2.93 0.00 0.00 61.98 57.23 1s4e s VAL 344 Cb -0.15 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.47 1s4e s VAL 344 CO 0.12 -0.19 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.03 1s4e s LYS 345 N -2.92 0.90 0.30 1.54 1.02 -1.26 -3.97 119.74 115.35 1s4e s LYS 345 Ca 0.24 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1s4e s LYS 345 Cb -0.07 -0.88 -0.11 0.00 -0.52 0.00 0.00 37.83 36.25 1s4e s LYS 345 CO 0.12 0.22 1.52 -2.14 -0.92 0.00 0.00 175.35 174.15 1s4e s PRO 346 N -0.90 4.18 0.34 -1.68 0.02 -1.26 -2.26 135.00 133.44 1s4e s PRO 346 Ca 0.02 2.48 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1s4e s PRO 346 Cb -0.07 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.34 1s4e s PRO 346 CO 0.01 -0.53 0.03 0.45 -0.33 0.00 0.00 177.00 176.62 1s4e s SER 347 N 0.29 2.81 0.65 2.53 0.15 0.12 -4.34 113.70 115.91 1s4e s SER 347 Ca 0.60 -1.34 -0.13 0.00 0.70 0.00 0.00 55.95 55.77 1s4e s SER 347 Cb -0.45 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.67 1s4e s SER 347 CO 0.49 -0.52 1.06 -1.81 1.20 0.00 0.00 173.24 173.66 1s4e s ASP 348 N -3.53 5.50 1.06 5.45 1.01 -1.26 -1.80 116.67 123.10 1s4e s ASP 348 Ca 0.35 1.73 -0.07 0.00 0.71 0.00 0.00 52.55 55.26 1s4e s ASP 348 Cb 0.08 -2.51 0.11 0.00 1.01 0.00 0.00 42.92 41.60 1s4e s ASP 348 CO 0.16 -1.36 0.47 0.61 0.21 0.00 0.00 175.17 175.26 1s4e n GLY 349 N -1.46 -2.03 3.55 0.21 0.00 0.09 -4.65 105.19 100.90 1s4e n GLY 349 Ca 0.08 -1.56 -0.49 0.00 0.00 0.00 0.00 46.02 44.05 1s4e n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s4e n VAL 350 N -3.13 1.14 -3.92 1.61 0.24 0.29 -4.77 118.33 109.79 1s4e n VAL 350 Ca 0.06 -0.29 0.01 0.00 -2.04 0.00 0.00 64.34 62.08 1s4e n VAL 350 Cb 0.23 -0.66 0.01 0.00 -1.47 0.00 0.00 33.84 31.95 1s4e n VAL 350 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s4e n GLY 351 N 1.84 0.43 0.42 7.63 0.00 -0.78 -4.99 105.19 109.74 1s4e n GLY 351 Ca 0.15 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.28 1s4e n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70