#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4e s ILE 4 N 0.00 1.10 -0.19 3.15 -4.36 -0.65 -4.93 121.20 115.32 1s4e s ILE 4 Ca 0.00 -1.69 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1s4e s ILE 4 Cb 0.00 -1.45 0.01 0.00 1.25 0.00 0.00 42.46 42.27 1s4e s ILE 4 CO 0.00 -0.51 -0.14 -0.89 0.24 0.00 0.00 174.94 173.63 1s4e s THR 5 N -2.37 2.56 -0.16 8.37 2.01 -1.26 -1.65 115.64 123.13 1s4e s THR 5 Ca 0.07 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1s4e s THR 5 Cb -0.03 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1s4e s THR 5 CO 0.01 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 1s4e s VAL 6 N 1.35 3.50 -0.17 3.82 1.01 -0.78 -4.50 120.40 124.63 1s4e s VAL 6 Ca 0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1s4e s VAL 6 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1s4e s VAL 6 CO -0.09 0.49 0.08 -0.54 0.00 0.00 0.00 175.10 175.04 1s4e s LYS 7 N 0.54 3.89 -0.22 2.72 1.02 -1.05 -1.00 119.74 125.64 1s4e s LYS 7 Ca -0.05 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1s4e s LYS 7 Cb -0.15 -3.23 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1s4e s LYS 7 CO 0.03 0.38 -0.09 0.45 -0.92 0.00 0.00 175.35 175.19 1s4e s SER 8 N 0.10 3.74 0.82 2.83 0.15 0.16 -2.91 113.70 118.58 1s4e s SER 8 Ca 0.06 -1.07 -0.11 0.00 0.70 0.00 0.00 55.95 55.53 1s4e s SER 8 Cb -0.12 -1.29 0.08 0.00 -1.71 0.00 0.00 66.02 62.98 1s4e s SER 8 CO 0.00 -0.18 1.09 -2.16 1.20 0.00 0.00 173.24 173.19 1s4e s PRO 9 N 1.33 1.91 0.00 5.44 0.04 -1.26 -0.76 135.00 141.70 1s4e s PRO 9 Ca -0.04 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1s4e s PRO 9 Cb -0.18 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1s4e s PRO 9 CO -0.07 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1s4e n GLY 10 N -1.51 0.28 3.32 0.56 0.00 -0.30 -4.40 105.19 103.13 1s4e n GLY 10 Ca 0.08 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.99 1.02 0.01 1.61 1.04 -0.60 -1.53 118.95 119.52 1s4e s ARG 11 Ca 0.00 -0.57 0.01 0.00 -1.04 0.00 0.00 55.73 54.13 1s4e s ARG 11 Cb 0.00 0.45 -0.01 0.00 -2.04 0.00 0.00 34.95 33.35 1s4e s ARG 11 CO 0.00 -0.38 -0.05 0.08 -0.04 0.00 0.00 175.30 174.91 1s4e s VAL 12 N -3.30 0.33 -0.20 4.99 1.01 -1.26 -4.48 120.40 117.49 1s4e s VAL 12 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1s4e s VAL 12 Cb 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1s4e s VAL 12 CO -0.08 -0.08 0.28 0.21 0.00 0.00 0.00 175.10 175.42 1s4e s ASN 13 N -0.58 6.32 -0.01 3.32 2.47 -1.26 -4.50 114.94 120.70 1s4e s ASN 13 Ca -0.03 0.37 -0.22 0.00 0.42 0.00 0.00 52.86 53.40 1s4e s ASN 13 Cb -0.04 -2.17 -0.21 0.00 -1.45 0.00 0.00 41.25 37.38 1s4e s ASN 13 CO -0.00 0.03 1.13 0.25 -3.72 0.00 0.00 177.10 174.79 1s4e h LEU 14 N 7.30 0.37 -7.48 3.21 5.85 -1.97 -3.45 115.31 119.14 1s4e h LEU 14 Ca -0.38 -0.70 0.09 0.00 0.84 0.00 0.00 57.88 57.73 1s4e h LEU 14 Cb 1.16 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 1s4e h LEU 14 CO 0.71 1.01 0.36 -0.51 -0.34 0.00 0.00 178.44 179.67 1s4e s ILE 15 N -3.45 0.00 0.00 4.05 1.10 -1.26 -4.98 121.20 116.66 1s4e s ILE 15 Ca -0.14 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 59.52 1s4e s ILE 15 Cb 0.03 -1.58 0.00 0.00 0.15 0.00 0.00 42.46 41.06 1s4e s ILE 15 CO 0.77 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.21 1s4e n GLY 16 N -0.40 0.98 3.77 1.50 0.00 -1.26 -4.63 105.19 105.15 1s4e n GLY 16 Ca -0.08 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.18 4.62 -1.11 1.61 2.56 -1.26 -4.27 118.70 119.67 1s4e s GLU 17 Ca 0.00 1.27 -0.01 0.00 0.00 0.00 0.00 54.97 56.24 1s4e s GLU 17 Cb 0.00 -3.07 -0.01 0.00 2.00 0.00 0.00 34.13 33.05 1s4e s GLU 17 CO 0.00 0.44 0.93 0.72 -0.56 0.00 0.00 175.26 176.79 1s4e n HIS 18 N 1.12 -2.10 0.00 5.30 8.25 -1.26 -4.90 115.22 121.63 1s4e n HIS 18 Ca -0.02 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 1s4e n HIS 18 Cb 0.49 -4.77 0.00 0.00 1.12 0.00 0.00 29.99 26.83 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 -3.82 0.00 -0.28 1.59 -1.04 -1.26 -4.82 114.28 104.65 1s4e n THR 19 Ca -0.24 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.73 1s4e n THR 19 Cb 0.65 -0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.28 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 1.04 0.32 8.00 -0.00 -1.84 -1.14 116.42 122.80 1s4e h ASP 20 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 1s4e h ASP 20 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.07 1s4e h ASP 20 CO 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 179.24 180.11 1s4e n TYR 21 N -4.32 0.00 -1.29 4.15 0.18 -1.26 -0.38 117.16 114.24 1s4e n TYR 21 Ca 0.08 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.93 1s4e n TYR 21 Cb 0.13 -0.29 0.18 0.00 -0.38 0.00 0.00 39.34 38.99 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 -1.29 2.11 -3.73 -3.48 -2.24 -1.07 -4.86 114.28 99.71 1s4e n THR 22 Ca 0.08 -2.64 -0.26 0.00 -2.27 0.00 0.00 64.05 58.96 1s4e n THR 22 Cb 0.13 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.21 -2.47 -1.69 4.78 4.02 0.49 -1.87 117.16 119.22 1s4e n TYR 23 Ca 0.19 0.94 0.00 0.00 -0.01 0.00 0.00 57.90 59.03 1s4e n TYR 23 Cb 0.72 -4.53 0.00 0.00 -0.02 0.00 0.00 39.34 35.51 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 -1.75 1.37 3.90 2.72 0.00 -0.45 -3.57 105.19 107.40 1s4e n GLY 24 Ca -0.04 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 1.52 3.46 0.00 1.61 1.51 -1.26 -1.99 117.35 122.20 1s4e s TYR 25 Ca 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1s4e s TYR 25 Cb 0.00 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1s4e s TYR 25 CO 0.00 0.23 0.00 1.55 -1.11 0.00 0.00 175.55 176.22 1s4e n VAL 26 N -0.62 0.00 -1.28 0.71 3.14 -0.20 -4.63 118.33 115.45 1s4e n VAL 26 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1s4e n VAL 26 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1s4e n VAL 26 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1s4e n PRO 28 N 0.00 0.00 -4.24 1.45 -0.04 -1.15 -0.94 135.00 130.09 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 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 3.42 0.25 0.55 0.00 -1.26 -0.89 121.76 122.83 1s4e s ALA 30 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1s4e s ALA 30 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1s4e s ALA 30 CO 0.00 0.55 0.17 0.96 0.00 0.00 0.00 175.76 177.44 1s4e s ILE 31 N -0.78 4.34 -0.99 0.00 -4.36 -0.58 -1.58 121.20 117.25 1s4e s ILE 31 Ca 0.12 -1.46 -0.06 0.00 -0.26 0.00 0.00 60.65 59.00 1s4e s ILE 31 Cb -0.12 -3.34 0.05 0.00 1.25 0.00 0.00 42.46 40.30 1s4e s ILE 31 CO 0.02 -0.35 2.67 -0.90 0.24 0.00 0.00 174.94 176.62 1s4e n ASP 32 N -1.14 7.45 -3.74 4.36 5.75 -1.01 -3.71 116.55 124.51 1s4e n ASP 32 Ca -0.08 -3.04 -0.21 0.00 -0.01 0.00 0.00 54.79 51.45 1s4e n ASP 32 Cb 0.58 -1.35 -0.17 0.00 -1.03 0.00 0.00 41.12 39.14 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 -1.71 0.51 0.29 -2.12 1.43 -1.26 -4.93 118.68 110.90 1s4e s LEU 33 Ca 0.58 -0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1s4e s LEU 33 Cb 0.25 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1s4e s LEU 33 CO -0.12 -0.20 -0.12 -0.31 0.23 0.00 0.00 176.35 175.83 1s4e s TYR 34 N 1.89 2.41 -0.25 0.29 1.51 -1.26 -1.15 117.35 120.79 1s4e s TYR 34 Ca 0.03 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 1s4e s TYR 34 Cb -0.12 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1s4e s TYR 34 CO -0.04 0.65 0.16 0.99 -1.11 0.00 0.00 175.55 176.20 1s4e s THR 35 N -2.49 5.22 -0.19 -0.71 2.01 0.06 -0.38 115.64 119.15 1s4e s THR 35 Ca 0.31 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 1s4e s THR 35 Cb -0.04 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1s4e s THR 35 CO 0.17 0.31 0.08 -0.63 -0.69 0.00 0.00 174.62 173.86 1s4e s ILE 36 N 1.34 4.86 -0.28 1.82 1.01 -0.45 -0.66 121.20 128.83 1s4e s ILE 36 Ca 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1s4e s ILE 36 Cb -0.15 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1s4e s ILE 36 CO 0.07 0.44 -0.04 -0.63 0.00 0.00 0.00 174.94 174.78 1s4e s ILE 37 N 0.53 2.01 -0.21 2.92 1.01 -0.17 -0.93 121.20 126.35 1s4e s ILE 37 Ca 0.04 -1.76 -0.15 0.00 0.00 0.00 0.00 60.65 58.79 1s4e s ILE 37 Cb -0.13 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1s4e s ILE 37 CO 0.01 -0.25 0.35 -0.89 0.00 0.00 0.00 174.94 174.16 1s4e s THR 38 N 1.13 5.23 0.13 2.92 2.01 -1.09 -1.86 115.64 124.11 1s4e s THR 38 Ca -0.01 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 1s4e s THR 38 Cb -0.19 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.71 1s4e s THR 38 CO -0.07 0.26 0.68 0.00 -0.69 0.00 0.00 174.62 174.80 1s4e s ALA 39 N 1.32 -1.62 0.32 7.40 0.00 -0.66 -1.66 121.76 126.85 1s4e s ALA 39 Ca 0.17 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1s4e s ALA 39 Cb -0.15 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.69 1s4e s ALA 39 CO 0.07 -0.78 0.03 -1.83 0.00 0.00 0.00 175.76 173.26 1s4e s GLU 40 N -3.62 1.63 0.48 0.00 -1.05 -0.15 -1.63 118.70 114.36 1s4e s GLU 40 Ca 0.03 -1.89 -0.23 0.00 -0.15 0.00 0.00 54.97 52.73 1s4e s GLU 40 Cb -0.01 -0.93 -0.07 0.00 -0.44 0.00 0.00 34.13 32.68 1s4e s GLU 40 CO -0.10 -0.14 1.24 0.15 0.95 0.00 0.00 175.26 177.36 1s4e s LYS 41 N -3.86 3.61 0.08 -4.83 1.02 -1.26 -1.58 119.74 112.93 1s4e s LYS 41 Ca 0.35 1.96 -0.17 0.00 0.02 0.00 0.00 55.97 58.12 1s4e s LYS 41 Cb 0.08 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1s4e s LYS 41 CO 0.15 -0.72 0.41 -0.47 -0.92 0.00 0.00 175.35 173.80 1s4e s TYR 42 N -1.43 -0.25 0.20 3.18 5.04 -0.76 -4.62 117.35 118.72 1s4e s TYR 42 Ca 0.65 0.08 0.06 0.00 -2.44 0.00 0.00 57.07 55.42 1s4e s TYR 42 Cb -0.33 0.25 0.11 0.00 0.35 0.00 0.00 41.96 42.33 1s4e s TYR 42 CO 0.40 -0.64 1.46 0.38 -1.34 0.00 0.00 175.55 175.82 1s4e h ASP 43 N 2.70 0.12 -2.92 4.32 2.03 -1.94 0.14 116.42 120.87 1s4e h ASP 43 Ca -0.32 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1s4e h ASP 43 Cb 1.23 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1s4e h ASP 43 CO 0.45 0.85 0.00 0.29 -1.03 0.00 0.00 179.24 179.80 1s4e n LYS 44 N -3.67 2.08 -4.97 4.15 5.02 -1.26 -4.12 118.16 115.38 1s4e n LYS 44 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 1s4e n LYS 44 Cb 0.74 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.61 1s4e n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s4e s VAL 45 N -0.05 2.76 -0.28 -0.18 1.01 -0.38 -2.16 120.40 121.13 1s4e s VAL 45 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1s4e s VAL 45 Cb 0.00 -2.09 0.16 0.00 0.00 0.00 0.00 36.38 34.45 1s4e s VAL 45 CO 0.00 0.56 0.42 -1.58 0.00 0.00 0.00 175.10 174.50 1s4e s GLN 46 N -0.22 0.41 -0.10 2.72 0.74 -0.04 -2.25 119.66 120.92 1s4e s GLN 46 Ca -0.00 0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.73 1s4e s GLN 46 Cb -0.13 -0.28 0.01 0.00 1.10 0.00 0.00 33.01 33.70 1s4e s GLN 46 CO 0.03 -0.91 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.16 1s4e s LEU 47 N 2.57 1.90 0.01 3.68 1.43 -1.03 -1.19 118.68 126.04 1s4e s LEU 47 Ca 0.11 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 1s4e s LEU 47 Cb -0.13 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 1s4e s LEU 47 CO -0.26 0.09 0.59 -0.47 0.23 0.00 0.00 176.35 176.53 1s4e s TYR 48 N 0.61 3.70 -0.22 0.29 5.04 -0.60 -2.65 117.35 123.53 1s4e s TYR 48 Ca -0.14 1.21 -0.03 0.00 -2.44 0.00 0.00 57.07 55.67 1s4e s TYR 48 Cb -0.17 -2.59 -0.00 0.00 0.35 0.00 0.00 41.96 39.55 1s4e s TYR 48 CO 0.04 0.39 -0.06 0.45 -1.34 0.00 0.00 175.55 175.03 1s4e s SER 49 N -0.33 4.20 0.36 4.32 0.15 -0.39 -0.07 113.70 121.93 1s4e s SER 49 Ca 0.31 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.69 1s4e s SER 49 Cb -0.18 -1.71 0.65 0.00 -1.71 0.00 0.00 66.02 63.06 1s4e s SER 49 CO 0.18 -0.02 1.74 -0.08 1.20 0.00 0.00 173.24 176.26 1s4e h GLU 50 N 8.10 0.00 -0.47 5.44 4.81 -1.71 -1.25 114.58 129.49 1s4e h GLU 50 Ca -0.42 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 1s4e h GLU 50 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1s4e h GLU 50 CO 0.61 0.43 -0.09 1.25 -0.73 0.00 0.00 179.01 180.48 1s4e h HIS 51 N 0.00 0.92 -0.01 0.92 2.76 -1.95 -3.23 115.15 114.57 1s4e h HIS 51 Ca -0.00 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1s4e h HIS 51 Cb 0.86 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1s4e h HIS 51 CO 0.00 0.88 -0.70 1.19 -1.30 0.00 0.00 177.93 178.00 1s4e n PHE 52 N -4.17 0.00 -4.28 5.26 3.01 -1.12 -4.98 117.46 111.18 1s4e n PHE 52 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.14 1s4e n PHE 52 Cb 0.36 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.90 -0.55 -4.11 4.37 3.02 -0.49 -4.97 115.26 111.63 1s4e n ASN 53 Ca 0.07 -1.18 -0.19 0.00 -0.03 0.00 0.00 54.58 53.25 1s4e n ASN 53 Cb 0.38 -2.07 -0.13 0.00 -0.61 0.00 0.00 39.78 37.35 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 -7.12 0.87 -0.32 3.52 2.02 -1.16 -5.01 118.70 111.50 1s4e s GLU 54 Ca 0.30 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1s4e s GLU 54 Cb -0.17 -0.85 0.09 0.00 0.10 0.00 0.00 34.13 33.31 1s4e s GLU 54 CO 0.97 0.21 0.03 -2.00 0.02 0.00 0.00 175.26 174.50 1s4e s GLU 55 N -0.97 1.48 0.22 1.61 2.12 -1.26 -1.26 118.70 120.64 1s4e s GLU 55 Ca 0.01 -1.67 -0.02 0.00 0.36 0.00 0.00 54.97 53.65 1s4e s GLU 55 Cb -0.07 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1s4e s GLU 55 CO 0.01 -0.88 0.43 -1.59 -0.54 0.00 0.00 175.26 172.68 1s4e s LYS 56 N 1.04 3.55 0.05 4.30 0.00 -1.09 -4.96 119.74 122.62 1s4e s LYS 56 Ca 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 55.97 55.73 1s4e s LYS 56 Cb -0.19 -2.80 -0.02 0.00 0.00 0.00 0.00 37.83 34.83 1s4e s LYS 56 CO -0.10 0.36 0.08 0.95 0.00 0.00 0.00 175.35 176.65 1s4e s THR 57 N -1.91 0.15 0.09 3.79 -4.23 -1.26 -2.47 115.64 109.80 1s4e s THR 57 Ca 0.40 -1.27 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1s4e s THR 57 Cb -0.11 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.69 1s4e s THR 57 CO 0.29 -0.70 0.86 0.72 -0.54 0.00 0.00 174.62 175.25 1s4e s PHE 58 N -3.14 -0.28 0.24 3.99 -0.12 -0.95 -5.02 117.98 112.69 1s4e s PHE 58 Ca -0.00 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.98 1s4e s PHE 58 Cb 0.02 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1s4e s PHE 58 CO -0.07 -0.73 0.34 0.95 -0.05 0.00 0.00 175.22 175.65 1s4e s THR 59 N -3.32 5.14 -0.95 -4.49 -4.23 -1.26 -1.25 115.64 105.28 1s4e s THR 59 Ca 0.07 -1.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.76 1s4e s THR 59 Cb -0.01 -3.79 0.20 0.00 1.34 0.00 0.00 72.50 70.23 1s4e s THR 59 CO -0.04 -0.33 1.73 0.18 -0.54 0.00 0.00 174.62 175.61 1s4e n LEU 60 N -1.38 0.11 -1.66 4.79 4.32 -1.26 -2.65 117.00 119.26 1s4e n LEU 60 Ca -0.09 0.52 0.08 0.00 -0.02 0.00 0.00 56.01 56.49 1s4e n LEU 60 Cb 0.57 -0.49 0.36 0.00 -1.62 0.00 0.00 43.42 42.24 1s4e n LEU 60 CO 0.45 -0.14 0.81 -0.90 -1.22 0.00 0.00 177.39 176.39 1s4e n ASP 61 N -1.61 4.97 -3.22 -1.43 5.75 -1.26 -4.59 116.55 115.17 1s4e n ASP 61 Ca 0.05 -2.64 -0.19 0.00 -0.01 0.00 0.00 54.79 52.00 1s4e n ASP 61 Cb 0.28 -0.62 -0.07 0.00 -1.03 0.00 0.00 41.12 39.68 1s4e n ASP 61 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1s4e s ASN 62 N -0.79 0.63 -0.74 -1.12 3.04 -1.09 -5.02 114.94 109.86 1s4e s ASN 62 Ca 0.50 -2.48 0.00 0.00 0.04 0.00 0.00 52.86 50.92 1s4e s ASN 62 Cb 0.35 0.35 0.37 0.00 -1.54 0.00 0.00 41.25 40.77 1s4e s ASN 62 CO 0.19 -0.15 1.74 0.18 -3.04 0.00 0.00 177.10 176.01 1s4e n LEU 63 N 3.10 6.66 -4.81 3.21 4.77 -1.26 -4.65 117.00 124.02 1s4e n LEU 63 Ca 0.24 -4.99 -0.33 0.00 -0.03 0.00 0.00 56.01 50.90 1s4e n LEU 63 Cb 0.49 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1s4e n LEU 63 CO 0.06 1.92 0.71 -0.89 -1.33 0.00 0.00 177.39 177.85 1s4e s THR 64 N -5.17 3.96 0.80 -5.08 2.01 -1.26 -5.02 115.64 105.88 1s4e s THR 64 Ca 0.50 1.03 -0.08 0.00 0.31 0.00 0.00 61.69 63.45 1s4e s THR 64 Cb 0.41 -3.47 0.14 0.00 0.01 0.00 0.00 72.50 69.59 1s4e s THR 64 CO -0.34 -0.45 1.12 -1.59 -0.69 0.00 0.00 174.62 172.67 1s4e s LYS 65 N -3.79 1.44 -0.45 4.92 0.00 -1.26 -4.98 119.74 115.62 1s4e s LYS 65 Ca 0.64 -0.63 0.04 0.00 0.00 0.00 0.00 55.97 56.02 1s4e s LYS 65 Cb -0.15 -2.11 0.17 0.00 0.00 0.00 0.00 37.83 35.74 1s4e s LYS 65 CO 0.30 -1.74 0.35 0.20 0.00 0.00 0.00 175.35 174.46 1s4e s GLY 67 N -4.73 1.45 0.02 0.59 0.00 -1.26 -4.93 107.32 98.46 1s4e s GLY 67 Ca 0.67 -2.63 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 1s4e s GLY 67 CO 0.48 1.95 0.11 -1.14 0.00 0.00 0.00 173.10 174.49 1s4e n SER 68 N 2.82 -0.20 0.00 1.64 3.41 -1.26 -5.06 113.62 114.97 1s4e n SER 68 Ca 0.26 -1.11 0.01 0.00 -0.26 0.00 0.00 58.87 57.77 1s4e n SER 68 Cb 0.45 0.32 0.33 0.00 -0.26 0.00 0.00 64.21 65.05 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 1.11 0.53 -0.32 7.33 5.08 -2.04 -1.65 115.95 125.99 1s4e h TRP 69 Ca -0.03 -0.04 0.09 0.00 1.08 0.00 0.00 58.89 59.99 1s4e h TRP 69 Cb 0.13 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.12 1s4e h TRP 69 CO 0.00 0.48 0.27 0.97 -1.28 0.00 0.00 178.44 178.87 1s4e h ILE 70 N 0.51 0.65 -0.57 0.12 6.09 -1.99 -2.33 117.51 119.99 1s4e h ILE 70 Ca 0.12 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.69 1s4e h ILE 70 Cb 0.23 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.29 1s4e h ILE 70 CO -0.00 0.00 0.38 0.44 -3.07 0.00 0.00 178.15 175.90 1s4e h ASP 71 N 0.00 0.40 -0.69 2.19 3.32 -1.66 0.25 116.42 120.23 1s4e h ASP 71 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s4e h ASP 71 Cb 0.68 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1s4e h ASP 71 CO -0.00 0.25 0.43 1.88 -1.72 0.00 0.00 179.24 180.08 1s4e h TYR 72 N 0.45 0.90 -0.01 4.55 -1.99 -1.60 0.22 116.97 119.50 1s4e h TYR 72 Ca 0.26 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 1s4e h TYR 72 Cb 0.42 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1s4e h TYR 72 CO -0.00 0.59 -0.25 0.28 -0.00 0.00 0.00 178.16 178.78 1s4e h VAL 73 N 0.96 1.54 -0.75 -2.88 2.07 -0.77 -2.95 116.25 113.46 1s4e h VAL 73 Ca 0.25 -1.92 0.10 0.00 0.82 0.00 0.00 66.70 65.96 1s4e h VAL 73 Cb -0.06 2.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1s4e h VAL 73 CO -0.05 0.53 0.49 0.11 0.02 0.00 0.00 177.57 178.67 1s4e h LYS 74 N -0.48 0.60 -0.45 1.57 1.57 -0.75 -2.18 116.57 116.45 1s4e h LYS 74 Ca -0.03 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1s4e h LYS 74 Cb 1.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1s4e h LYS 74 CO 0.05 0.40 -0.07 0.78 -0.57 0.00 0.00 179.45 180.04 1s4e h GLY 75 N 0.62 0.85 0.73 3.86 0.00 -0.57 -0.80 103.07 107.76 1s4e h GLY 75 Ca 0.35 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1s4e h GLY 75 CO -0.13 0.56 -0.13 -2.08 0.00 0.00 0.00 176.54 174.77 1s4e h VAL 76 N 0.72 1.34 -0.65 4.60 2.07 -1.23 -1.84 116.25 121.26 1s4e h VAL 76 Ca 0.13 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1s4e h VAL 76 Cb 0.54 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1s4e h VAL 76 CO 0.03 0.37 0.26 -0.07 0.02 0.00 0.00 177.57 178.18 1s4e h LEU 77 N -0.04 0.87 -0.30 2.57 4.07 -1.39 -1.83 115.31 119.26 1s4e h LEU 77 Ca 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1s4e h LEU 77 Cb 0.65 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1s4e h LEU 77 CO 0.03 0.78 0.15 -0.25 -1.08 0.00 0.00 178.44 178.08 1s4e h TRP 78 N 0.94 0.43 -0.53 1.13 7.01 -1.05 -1.72 115.95 122.16 1s4e h TRP 78 Ca 0.22 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.11 1s4e h TRP 78 Cb 0.19 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1s4e h TRP 78 CO 0.01 0.37 -0.03 -0.24 -2.79 0.00 0.00 178.44 175.77 1s4e h VAL 79 N 0.36 1.26 -0.64 2.65 3.04 -1.12 -2.39 116.25 119.40 1s4e h VAL 79 Ca 0.11 -1.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 1s4e h VAL 79 Cb 0.10 0.88 -0.03 0.00 -2.01 0.00 0.00 31.29 30.24 1s4e h VAL 79 CO -0.01 0.40 0.11 -0.07 -1.01 0.00 0.00 177.57 176.98 1s4e h LEU 80 N 0.85 1.00 -0.22 3.16 3.38 -1.07 -2.75 115.31 119.67 1s4e h LEU 80 Ca 0.15 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1s4e h LEU 80 Cb 0.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s4e h LEU 80 CO 0.03 1.00 -0.53 0.40 0.09 0.00 0.00 178.44 179.43 1s4e h ILE 81 N 0.99 1.30 -0.71 1.22 2.04 -1.12 -2.70 117.51 118.52 1s4e h ILE 81 Ca 0.20 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1s4e h ILE 81 Cb 0.42 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1s4e h ILE 81 CO 0.01 0.55 0.40 1.56 0.00 0.00 0.00 178.15 180.67 1s4e h GLN 82 N 0.47 0.98 -0.82 2.37 1.08 -1.44 -1.28 115.11 116.47 1s4e h GLN 82 Ca -0.00 -0.10 0.08 0.00 -1.45 0.00 0.00 58.65 57.18 1s4e h GLN 82 Cb 1.14 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.31 1s4e h GLN 82 CO 0.11 0.71 0.53 0.93 -0.95 0.00 0.00 178.83 180.16 1s4e h GLU 83 N 0.99 0.80 0.00 1.46 4.39 -1.35 -3.46 114.58 117.41 1s4e h GLU 83 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1s4e h GLU 83 Cb 0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1s4e h GLU 83 CO -0.04 0.53 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1s4e n GLY 84 N -1.43 1.02 3.62 -3.84 0.00 -0.48 -5.10 105.19 98.98 1s4e n GLY 84 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1s4e n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s4e n TYR 85 N -0.43 1.26 -3.24 1.61 4.02 -1.04 -4.92 117.16 114.42 1s4e n TYR 85 Ca 0.00 0.56 -0.46 0.00 -0.01 0.00 0.00 57.90 57.99 1s4e n TYR 85 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 39.34 37.04 1s4e n TYR 85 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1s4e s LYS 86 N -2.00 3.29 0.13 -0.72 3.01 -1.26 -4.62 119.74 117.56 1s4e s LYS 86 Ca 0.63 -1.93 0.06 0.00 -1.01 0.00 0.00 55.97 53.72 1s4e s LYS 86 Cb -0.56 -4.40 -0.04 0.00 -1.01 0.00 0.00 37.83 31.82 1s4e s LYS 86 CO 0.57 -1.40 -0.14 0.96 0.51 0.00 0.00 175.35 175.85 1s4e s ILE 87 N 1.35 1.36 0.00 2.17 -4.36 -1.26 -5.02 121.20 115.44 1s4e s ILE 87 Ca 0.13 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1s4e s ILE 87 Cb -0.19 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 41.95 1s4e s ILE 87 CO -0.02 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1s4e n GLY 88 N 0.47 1.43 0.00 6.27 0.00 -1.26 -5.12 105.19 106.98 1s4e n GLY 88 Ca -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 5.00 7.06 3.08 -0.02 0.00 0.04 -5.01 105.19 115.34 1s4e n GLY 89 Ca 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 1.88 -0.07 0.99 0.05 -0.92 -1.82 118.68 118.80 1s4e s LEU 90 Ca 0.00 -0.47 0.05 0.00 0.05 0.00 0.00 54.13 53.75 1s4e s LEU 90 Cb 0.00 0.48 -0.00 0.00 -2.05 0.00 0.00 46.19 44.61 1s4e s LEU 90 CO 0.00 -0.43 -0.21 -0.54 -0.55 0.00 0.00 176.35 174.62 1s4e s LYS 91 N -2.11 2.37 0.00 1.48 -0.14 -0.61 -0.86 119.74 119.87 1s4e s LYS 91 Ca -0.09 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1s4e s LYS 91 Cb -0.04 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 1s4e s LYS 91 CO -0.02 0.25 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 1s4e n GLY 92 N 3.25 -1.25 3.36 -3.33 0.00 -0.33 -0.97 105.19 105.92 1s4e n GLY 92 Ca -0.19 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.09 1.33 -0.42 1.61 -0.14 -0.67 -1.56 119.74 118.81 1s4e s LYS 93 Ca 0.00 -1.32 -0.05 0.00 -1.36 0.00 0.00 55.97 53.24 1s4e s LYS 93 Cb 0.00 -1.72 0.10 0.00 -1.68 0.00 0.00 37.83 34.54 1s4e s LYS 93 CO 0.00 0.40 0.23 0.42 -0.76 0.00 0.00 175.35 175.64 1s4e s ILE 94 N -1.22 3.61 0.20 2.17 1.01 0.89 -2.66 121.20 125.20 1s4e s ILE 94 Ca 0.13 -1.86 0.02 0.00 0.00 0.00 0.00 60.65 58.94 1s4e s ILE 94 Cb -0.09 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1s4e s ILE 94 CO 0.06 -0.65 0.27 0.35 0.00 0.00 0.00 174.94 174.97 1s4e n THR 95 N 4.71 0.00 0.00 2.92 -2.24 -0.11 -2.01 114.28 117.55 1s4e n THR 95 Ca -0.05 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1s4e n THR 95 Cb 0.42 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 2.74 3.61 0.08 3.38 0.00 -1.26 -1.35 105.19 112.39 1s4e n GLY 96 Ca 0.05 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1s4e n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s4e h ASP 97 N 0.00 0.06 -3.13 1.61 3.32 -1.08 -3.48 116.42 113.71 1s4e h ASP 97 Ca 0.00 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.42 1s4e h ASP 97 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1s4e h ASP 97 CO 0.00 1.07 0.65 -0.22 -1.72 0.00 0.00 179.24 179.02 1s4e s LEU 98 N -6.50 4.29 0.42 1.55 2.96 -0.27 -4.77 118.68 116.36 1s4e s LEU 98 Ca -0.03 1.79 -0.25 0.00 -0.22 0.00 0.00 54.13 55.43 1s4e s LEU 98 Cb 0.09 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.12 1s4e s LEU 98 CO 0.83 -0.54 1.11 -2.65 -1.32 0.00 0.00 176.35 173.78 1s4e n PRO 99 N 4.98 1.56 -3.90 0.98 -0.02 -1.26 -4.96 135.00 132.37 1s4e n PRO 99 Ca 0.10 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1s4e n PRO 99 Cb 0.47 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.02 4.37 -1.29 2.45 1.02 -1.26 -4.48 118.68 118.46 1s4e s LEU 100 Ca 0.63 0.40 0.00 0.00 0.02 0.00 0.00 54.13 55.17 1s4e s LEU 100 Cb -0.54 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1s4e s LEU 100 CO 0.57 0.33 0.00 0.61 0.02 0.00 0.00 176.35 177.88 1s4e n GLY 101 N 1.41 1.25 0.00 -3.19 0.00 -1.26 -4.99 105.19 98.41 1s4e n GLY 101 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.23 0.00 -1.33 4.61 0.00 -1.26 -4.91 120.51 118.84 1s4e n ALA 102 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1s4e n ALA 102 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.06 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 5.00 5.40 0.64 0.00 0.00 -1.26 -4.49 105.19 110.48 1s4e n GLY 103 Ca 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.00 2.60 -2.60 0.99 4.77 -1.26 -4.71 117.00 115.80 1s4e n LEU 104 Ca 0.60 -1.51 -0.11 0.00 -0.03 0.00 0.00 56.01 54.96 1s4e n LEU 104 Cb 1.03 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 42.04 1s4e n LEU 104 CO 0.69 0.58 0.07 -0.24 -1.33 0.00 0.00 177.39 177.16 1s4e n SER 105 N 0.72 -2.32 -0.34 -1.43 2.88 -1.26 -1.55 113.62 110.32 1s4e n SER 105 Ca 0.11 -0.41 0.11 0.00 -1.33 0.00 0.00 58.87 57.34 1s4e n SER 105 Cb 0.39 -3.55 0.29 0.00 -0.75 0.00 0.00 64.21 60.60 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 -1.19 0.73 -0.73 -3.46 4.64 -1.90 -0.39 113.55 111.25 1s4e h SER 106 Ca -0.39 0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.14 1s4e h SER 106 Cb 1.22 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1s4e h SER 106 CO 0.32 0.28 -0.38 0.77 -0.87 0.00 0.00 176.83 176.95 1s4e h SER 107 N 0.75 -1.35 0.53 4.97 4.64 -1.94 0.65 113.55 121.80 1s4e h SER 107 Ca 0.54 0.26 -0.23 0.00 -0.47 0.00 0.00 61.79 61.90 1s4e h SER 107 Cb 0.80 0.67 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1s4e h SER 107 CO -0.37 -0.30 -1.01 0.00 -0.87 0.00 0.00 176.83 174.28 1s4e h ALA 108 N 1.03 0.34 -0.59 5.18 0.00 -1.85 -1.37 119.26 122.01 1s4e h ALA 108 Ca 0.26 -0.77 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1s4e h ALA 108 Cb 0.56 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1s4e h ALA 108 CO -0.79 0.91 0.30 1.03 0.00 0.00 0.00 179.25 180.71 1s4e h SER 109 N 0.13 0.43 0.32 0.00 0.87 -0.13 -1.21 113.55 113.97 1s4e h SER 109 Ca -0.08 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1s4e h SER 109 Cb 1.67 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1s4e h SER 109 CO 0.16 0.29 -0.15 0.15 -0.53 0.00 0.00 176.83 176.75 1s4e h PHE 110 N 0.57 -0.39 -0.86 2.24 -0.00 0.33 -1.59 116.94 117.24 1s4e h PHE 110 Ca 0.26 -0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.32 1s4e h PHE 110 Cb 0.18 0.13 -0.12 0.00 -0.00 0.00 0.00 35.95 36.14 1s4e h PHE 110 CO -0.10 -0.24 -0.45 0.39 -0.00 0.00 0.00 178.31 177.91 1s4e n GLU 111 N -4.51 -0.32 0.06 1.11 1.02 -0.52 -0.93 120.64 116.54 1s4e n GLU 111 Ca -0.05 1.31 -0.07 0.00 -0.02 0.00 0.00 57.16 58.33 1s4e n GLU 111 Cb 0.17 -1.93 -0.11 0.00 -0.02 0.00 0.00 31.44 29.55 1s4e n GLU 111 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1s4e h VAL 112 N 0.00 1.56 -0.41 2.62 -1.51 -1.30 -2.34 116.25 114.87 1s4e h VAL 112 Ca 0.19 -3.26 0.09 0.00 -1.23 0.00 0.00 66.70 62.49 1s4e h VAL 112 Cb 0.41 2.77 -0.09 0.00 -2.13 0.00 0.00 31.29 32.25 1s4e h VAL 112 CO -0.82 0.89 -0.20 1.23 -1.23 0.00 0.00 177.57 177.43 1s4e h GLY 113 N 3.09 0.08 0.96 5.19 0.00 -0.87 0.56 103.07 112.09 1s4e h GLY 113 Ca -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1s4e h GLY 113 CO 0.12 -0.20 0.19 -2.22 0.00 0.00 0.00 176.54 174.43 1s4e h ILE 114 N -0.13 1.21 -0.56 2.60 1.08 -0.88 -1.67 117.51 119.16 1s4e h ILE 114 Ca 0.20 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 1s4e h ILE 114 Cb 0.43 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1s4e h ILE 114 CO -0.49 0.25 0.20 0.25 -0.69 0.00 0.00 178.15 177.67 1s4e h LEU 115 N 0.63 0.75 -0.26 1.44 6.46 -1.11 0.29 115.31 123.51 1s4e h LEU 115 Ca 0.16 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1s4e h LEU 115 Cb 0.20 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1s4e h LEU 115 CO -0.01 0.69 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.21 1s4e h GLU 116 N 0.80 0.60 0.08 1.25 4.57 -0.70 0.21 114.58 121.38 1s4e h GLU 116 Ca 0.19 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1s4e h GLU 116 Cb 0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 1s4e h GLU 116 CO -0.01 0.88 -0.49 0.28 -1.18 0.00 0.00 179.01 178.49 1s4e h VAL 117 N 0.32 0.06 -0.76 0.32 2.07 -0.67 -1.03 116.25 116.55 1s4e h VAL 117 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1s4e h VAL 117 Cb 0.75 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1s4e h VAL 117 CO 0.05 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 178.07 1s4e h LEU 118 N -0.69 0.68 -1.52 2.57 3.38 -0.76 -1.84 115.31 117.13 1s4e h LEU 118 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1s4e h LEU 118 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1s4e h LEU 118 CO -0.30 0.43 -0.03 -1.13 0.09 0.00 0.00 178.44 177.50 1s4e h ASN 119 N 0.77 0.25 0.04 -0.43 -1.24 0.51 -2.40 115.58 113.08 1s4e h ASN 119 Ca 0.33 -0.03 -0.20 0.00 0.71 0.00 0.00 56.30 57.11 1s4e h ASN 119 Cb 0.31 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1s4e h ASN 119 CO -0.12 0.33 -1.07 1.56 -1.29 0.00 0.00 177.43 176.84 1s4e h GLN 120 N 0.27 0.09 -0.68 6.67 4.20 -0.44 -1.43 115.11 123.79 1s4e h GLN 120 Ca 0.06 -0.15 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1s4e h GLN 120 Cb 0.23 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1s4e h GLN 120 CO 0.01 1.07 0.37 -0.07 -0.67 0.00 0.00 178.83 179.54 1s4e h LEU 121 N -0.74 0.54 -3.26 1.46 3.38 -1.44 -2.70 115.31 112.55 1s4e h LEU 121 Ca -0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1s4e h LEU 121 Cb 1.41 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1s4e h LEU 121 CO -0.07 0.35 0.00 -1.22 0.09 0.00 0.00 178.44 177.59 1s4e n TYR 122 N -4.79 1.56 -4.09 1.13 4.02 -0.91 -5.00 117.16 109.08 1s4e n TYR 122 Ca 0.09 -0.67 -0.41 0.00 -0.01 0.00 0.00 57.90 56.90 1s4e n TYR 122 Cb 0.18 -0.32 -0.01 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.80 -2.76 0.16 7.72 3.02 -1.02 -4.87 115.26 118.31 1s4e n ASN 123 Ca 0.25 -1.21 0.12 0.00 -0.03 0.00 0.00 54.58 53.72 1s4e n ASN 123 Cb 0.96 -1.45 0.11 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.09 0.00 -1.26 3.41 3.38 -1.54 -3.48 115.31 113.73 1s4e h LEU 124 Ca -0.65 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 56.83 1s4e h LEU 124 Cb 1.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1s4e h LEU 124 CO 0.52 0.01 -0.79 0.59 0.09 0.00 0.00 178.44 178.85 1s4e n ASN 125 N -2.84 -3.42 -4.69 -0.43 3.02 -1.26 -4.90 115.26 100.74 1s4e n ASN 125 Ca 0.02 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1s4e n ASN 125 Cb 0.53 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.44 3.73 0.23 2.41 1.01 -1.26 -4.96 121.20 118.92 1s4e s ILE 126 Ca 0.47 1.15 -0.32 0.00 0.00 0.00 0.00 60.65 61.95 1s4e s ILE 126 Cb -0.24 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 1s4e s ILE 126 CO 0.84 0.02 1.62 -0.67 0.00 0.00 0.00 174.94 176.75 1s4e n ASP 127 N 5.02 3.67 -0.25 3.58 2.03 -1.26 -4.76 116.55 124.58 1s4e n ASP 127 Ca 0.12 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.73 1s4e n ASP 127 Cb 0.44 -1.54 0.50 0.00 -0.72 0.00 0.00 41.12 39.80 1s4e n ASP 127 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1s4e h PRO 128 N 5.66 0.42 -0.46 -0.67 0.11 -2.00 -0.16 132.00 134.90 1s4e h PRO 128 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1s4e h PRO 128 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1s4e h PRO 128 CO 0.87 0.28 -0.16 1.25 -0.21 0.00 0.00 178.00 180.03 1s4e h LEU 129 N 0.43 0.94 -1.59 2.35 6.46 -2.00 -2.30 115.31 119.60 1s4e h LEU 129 Ca 0.48 -0.38 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1s4e h LEU 129 Cb 1.17 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1s4e h LEU 129 CO -0.19 1.10 0.33 0.50 -0.62 0.00 0.00 178.44 179.56 1s4e h LYS 130 N 0.76 0.52 0.17 1.25 3.64 -1.42 -1.69 116.57 119.79 1s4e h LYS 130 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1s4e h LYS 130 Cb 0.72 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1s4e h LYS 130 CO 0.05 0.34 -0.08 0.87 -2.27 0.00 0.00 179.45 178.36 1s4e h LYS 131 N 0.53 -0.22 -0.70 1.90 1.57 -0.77 0.10 116.57 118.99 1s4e h LYS 131 Ca 0.20 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1s4e h LYS 131 Cb 0.15 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1s4e h LYS 131 CO -0.05 -0.03 0.45 0.00 -0.57 0.00 0.00 179.45 179.24 1s4e h ALA 132 N 0.43 0.89 -0.41 3.86 0.00 -1.14 -0.97 119.26 121.91 1s4e h ALA 132 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1s4e h ALA 132 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1s4e h ALA 132 CO 0.04 0.34 -0.28 -0.07 0.00 0.00 0.00 179.25 179.27 1s4e h LEU 133 N 0.95 0.92 -0.53 0.00 3.38 -1.17 -1.40 115.31 117.47 1s4e h LEU 133 Ca 0.25 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1s4e h LEU 133 Cb -0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1s4e h LEU 133 CO -0.05 1.13 0.15 -0.07 0.09 0.00 0.00 178.44 179.69 1s4e h LEU 134 N 0.75 0.79 -0.59 1.67 3.38 -0.35 -0.97 115.31 119.98 1s4e h LEU 134 Ca 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1s4e h LEU 134 Cb 0.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1s4e h LEU 134 CO 0.07 0.80 0.20 0.00 0.09 0.00 0.00 178.44 179.60 1s4e h ALA 135 N 1.02 0.78 -0.99 1.53 0.00 -1.06 -1.03 119.26 119.50 1s4e h ALA 135 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1s4e h ALA 135 Cb 0.31 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1s4e h ALA 135 CO -0.00 0.43 0.65 -0.22 0.00 0.00 0.00 179.25 180.10 1s4e h LYS 136 N 0.83 1.17 -0.19 0.00 3.64 -1.04 -1.97 116.57 119.01 1s4e h LYS 136 Ca 0.19 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1s4e h LYS 136 Cb 0.26 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1s4e h LYS 136 CO -0.01 0.78 -0.51 -0.22 -2.27 0.00 0.00 179.45 177.22 1s4e h LYS 137 N 1.21 0.54 0.06 1.90 3.64 -0.41 0.60 116.57 124.11 1s4e h LYS 137 Ca 0.41 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1s4e h LYS 137 Cb 0.08 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1s4e h LYS 137 CO -0.14 0.92 -0.04 0.00 -2.27 0.00 0.00 179.45 177.91 1s4e h ALA 138 N 1.02 -0.09 -0.61 5.00 0.00 -0.99 -2.22 119.26 121.36 1s4e h ALA 138 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1s4e h ALA 138 Cb 1.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1s4e h ALA 138 CO 0.10 -0.56 0.18 1.49 0.00 0.00 0.00 179.25 180.46 1s4e h GLU 139 N -0.10 0.96 -0.16 0.00 4.81 -0.86 -0.28 114.58 118.94 1s4e h GLU 139 Ca -0.00 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.88 1s4e h GLU 139 Cb 0.09 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1s4e h GLU 139 CO 0.00 0.86 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.79 1s4e h ASN 140 N 0.88 0.42 0.00 1.04 -0.26 -0.86 -1.66 115.58 115.15 1s4e h ASN 140 Ca 0.20 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.69 1s4e h ASN 140 Cb 0.31 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1s4e h ASN 140 CO -0.00 0.81 -1.21 -0.62 -1.06 0.00 0.00 177.43 175.35 1s4e n GLU 141 N -4.00 2.44 -0.00 0.81 1.02 -0.84 -4.03 120.64 116.04 1s4e n GLU 141 Ca -0.02 0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1s4e n GLU 141 Cb 0.52 -1.08 -0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 -2.27 0.00 -1.26 -0.32 7.35 -0.13 -4.72 117.46 116.11 1s4e n PHE 142 Ca -0.06 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.29 1s4e n PHE 142 Cb 0.59 -0.25 0.11 0.00 0.35 0.00 0.00 39.48 40.29 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 -1.00 2.06 -0.62 -2.13 1.01 -1.10 -4.94 120.40 113.68 1s4e s VAL 143 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1s4e s VAL 143 Cb 0.00 -2.56 0.42 0.00 0.00 0.00 0.00 36.38 34.25 1s4e s VAL 143 CO 0.00 -0.02 1.79 0.61 0.00 0.00 0.00 175.10 177.48 1s4e n GLY 144 N 0.56 5.91 3.61 4.51 0.00 -1.25 -4.10 105.19 114.43 1s4e n GLY 144 Ca 0.14 -2.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.33 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 -4.92 5.05 0.19 1.61 1.01 -0.62 -4.96 120.40 117.77 1s4e s VAL 145 Ca 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1s4e s VAL 145 Cb 0.46 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 33.55 1s4e s VAL 145 CO -0.12 0.36 0.14 -2.65 0.00 0.00 0.00 175.10 172.83 1s4e n PRO 146 N 4.31 -1.94 0.00 2.72 -0.02 -1.26 -3.21 135.00 135.60 1s4e n PRO 146 Ca -0.15 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1s4e n PRO 146 Cb 0.52 -0.25 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 1s4e n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s4e n GLY 148 N -1.20 -0.41 0.14 0.00 0.00 -1.26 -4.96 105.19 97.49 1s4e n GLY 148 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1s4e n GLY 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s4e h ILE 149 N 0.00 0.00 -0.71 -0.61 2.10 -1.97 -3.40 117.51 112.92 1s4e h ILE 149 Ca 0.00 -0.77 0.06 0.00 1.08 0.00 0.00 64.86 65.23 1s4e h ILE 149 Cb 0.00 1.56 -0.09 0.00 -1.09 0.00 0.00 36.82 37.21 1s4e h ILE 149 CO 0.00 0.00 -0.42 -0.11 -1.08 0.00 0.00 178.15 176.54 1s4e n LEU 150 N -2.60 -0.75 0.40 2.19 0.00 -1.26 -1.47 117.00 113.51 1s4e n LEU 150 Ca 0.03 1.34 -0.18 0.00 0.00 0.00 0.00 56.01 57.20 1s4e n LEU 150 Cb 0.49 -0.20 -0.09 0.00 0.00 0.00 0.00 43.42 43.62 1s4e n LEU 150 CO 0.35 -1.07 0.59 0.44 0.00 0.00 0.00 177.39 177.70 1s4e h ASP 151 N 0.00 -0.84 0.05 1.96 3.32 -1.98 -2.71 116.42 116.22 1s4e h ASP 151 Ca 0.11 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1s4e h ASP 151 Cb 0.29 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1s4e h ASP 151 CO -0.67 -0.57 -0.15 1.56 -1.72 0.00 0.00 179.24 177.70 1s4e h GLN 152 N -1.04 0.20 -0.15 3.56 7.50 -1.76 -2.58 115.11 120.83 1s4e h GLN 152 Ca -0.10 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 58.97 1s4e h GLN 152 Cb 0.77 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.27 1s4e h GLN 152 CO 0.17 0.35 -0.02 0.35 -1.50 0.00 0.00 178.83 178.18 1s4e h PHE 153 N 0.19 0.31 -0.79 2.96 3.57 -1.16 -2.25 116.94 119.76 1s4e h PHE 153 Ca 0.04 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1s4e h PHE 153 Cb 0.38 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1s4e h PHE 153 CO 0.00 0.53 0.52 0.00 -2.23 0.00 0.00 178.31 177.14 1s4e h ALA 154 N 0.74 1.01 -0.38 2.41 0.00 -1.14 0.26 119.26 122.14 1s4e h ALA 154 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s4e h ALA 154 Cb 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1s4e h ALA 154 CO 0.01 0.40 -0.12 0.28 0.00 0.00 0.00 179.25 179.82 1s4e h VAL 155 N 1.06 1.25 0.15 0.00 2.07 -1.34 -0.87 116.25 118.58 1s4e h VAL 155 Ca 0.29 -1.14 -0.32 0.00 0.82 0.00 0.00 66.70 66.35 1s4e h VAL 155 Cb -0.11 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1s4e h VAL 155 CO -0.07 0.38 -1.56 0.58 0.02 0.00 0.00 177.57 176.93 1s4e h VAL 156 N 0.62 1.14 -0.21 2.57 2.07 -1.02 -1.23 116.25 120.19 1s4e h VAL 156 Ca 0.11 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1s4e h VAL 156 Cb 0.57 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1s4e h VAL 156 CO 0.04 0.83 0.00 0.49 0.02 0.00 0.00 177.57 178.95 1s4e n PHE 157 N -3.53 0.27 -1.75 1.57 3.01 0.05 -4.39 117.46 112.69 1s4e n PHE 157 Ca -0.18 -0.20 -0.41 0.00 1.01 0.00 0.00 57.45 57.66 1s4e n PHE 157 Cb 1.06 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 40.52 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 0.92 0.98 3.32 1.37 0.00 -0.34 -4.75 105.19 106.69 1s4e n GLY 158 Ca 0.12 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.06 1.25 0.19 1.61 2.20 -0.94 0.05 119.74 122.03 1s4e s LYS 159 Ca 0.55 -1.20 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 1s4e s LYS 159 Cb -0.50 -1.57 0.07 0.00 -1.51 0.00 0.00 37.83 34.32 1s4e s LYS 159 CO 0.63 0.37 1.55 -0.22 -0.36 0.00 0.00 175.35 177.32 1s4e h LYS 160 N 4.10 -0.07 -1.84 4.03 3.64 -1.88 -2.69 116.57 121.86 1s4e h LYS 160 Ca -0.47 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 1s4e h LYS 160 Cb 1.17 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.60 1s4e h LYS 160 CO 0.40 -0.04 -0.88 -0.25 -2.27 0.00 0.00 179.45 176.40 1s4e n ASP 161 N -5.38 3.18 -3.94 4.20 8.00 -1.26 -1.99 116.55 119.35 1s4e n ASP 161 Ca 0.05 -3.38 -0.09 0.00 0.71 0.00 0.00 54.79 52.08 1s4e n ASP 161 Cb 0.34 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.18 0.15 0.21 -2.24 0.01 -1.02 -1.95 114.94 106.92 1s4e s ASN 162 Ca 0.43 -0.82 0.11 0.00 -0.71 0.00 0.00 52.86 51.87 1s4e s ASN 162 Cb 0.35 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 42.32 1s4e s ASN 162 CO -0.11 -0.77 -0.19 0.68 -1.51 0.00 0.00 177.10 175.20 1s4e s VAL 163 N -3.92 2.61 -0.20 1.60 -7.23 -0.47 -4.68 120.40 108.11 1s4e s VAL 163 Ca 0.11 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1s4e s VAL 163 Cb 0.05 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1s4e s VAL 163 CO -0.06 -0.17 0.11 -0.63 -0.31 0.00 0.00 175.10 174.04 1s4e s ILE 164 N -1.84 5.18 -0.28 -0.62 1.01 -0.07 -1.40 121.20 123.17 1s4e s ILE 164 Ca 0.24 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1s4e s ILE 164 Cb -0.08 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1s4e s ILE 164 CO 0.12 0.43 0.18 0.12 0.00 0.00 0.00 174.94 175.80 1s4e s PHE 165 N 0.47 3.20 -0.16 3.97 5.36 -0.42 -2.91 117.98 127.48 1s4e s PHE 165 Ca 0.06 0.00 -0.00 0.00 -0.96 0.00 0.00 56.93 56.03 1s4e s PHE 165 Cb -0.12 -2.37 0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1s4e s PHE 165 CO -0.00 -0.21 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.29 1s4e s LEU 166 N 1.73 1.73 -0.62 6.12 0.20 -0.11 -1.59 118.68 126.13 1s4e s LEU 166 Ca 0.07 -0.65 -0.27 0.00 0.69 0.00 0.00 54.13 53.97 1s4e s LEU 166 Cb -0.16 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1s4e s LEU 166 CO 0.10 -0.15 1.41 -0.62 -0.29 0.00 0.00 176.35 176.80 1s4e s ASP 167 N 1.57 6.06 0.06 3.68 -1.08 -0.99 -1.03 116.67 124.93 1s4e s ASP 167 Ca 0.01 0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.29 1s4e s ASP 167 Cb -0.15 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.52 1s4e s ASP 167 CO -0.08 -1.81 1.57 0.35 0.52 0.00 0.00 175.17 175.71 1s4e n THR 168 N 6.75 0.86 -0.04 1.71 -2.24 -0.84 -0.49 114.28 119.98 1s4e n THR 168 Ca 0.10 0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1s4e n THR 168 Cb 0.49 -0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.02 0.00 -0.78 4.15 -1.77 -3.37 115.11 113.31 1s4e h GLN 169 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1s4e h GLN 169 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1s4e h GLN 169 CO 0.00 0.75 -0.77 0.25 -1.93 0.00 0.00 178.83 177.13 1s4e n THR 170 N -4.71 0.18 -1.87 2.39 -2.24 -1.10 -4.95 114.28 101.97 1s4e n THR 170 Ca -0.09 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1s4e n THR 170 Cb 0.38 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.87 -1.51 -4.74 3.22 4.77 0.35 -5.00 117.00 112.22 1s4e n LEU 171 Ca 0.03 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.92 1s4e n LEU 171 Cb 0.41 -2.67 -0.05 0.00 -2.33 0.00 0.00 43.42 38.78 1s4e n LEU 171 CO 0.38 -0.69 0.48 -1.10 -1.33 0.00 0.00 177.39 175.13 1s4e s GLN 172 N -4.13 4.51 0.23 3.23 -1.52 -1.23 -4.91 119.66 115.84 1s4e s GLN 172 Ca 0.00 1.09 0.01 0.00 -1.95 0.00 0.00 55.36 54.51 1s4e s GLN 172 Cb 0.00 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 1s4e s GLN 172 CO 0.00 0.27 0.06 1.52 -0.25 0.00 0.00 175.29 176.89 1s4e s TYR 173 N -0.01 1.42 -0.21 0.91 -0.85 -1.26 -2.36 117.35 114.99 1s4e s TYR 173 Ca 0.39 -1.12 -0.13 0.00 -0.52 0.00 0.00 57.07 55.68 1s4e s TYR 173 Cb -0.21 -0.82 0.07 0.00 0.38 0.00 0.00 41.96 41.38 1s4e s TYR 173 CO 0.23 -0.29 0.53 -2.00 -1.52 0.00 0.00 175.55 172.50 1s4e s GLU 174 N -3.99 0.54 0.28 -3.49 2.12 -0.62 -4.97 118.70 108.56 1s4e s GLU 174 Ca 0.33 0.94 -0.25 0.00 0.36 0.00 0.00 54.97 56.35 1s4e s GLU 174 Cb 0.07 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.46 1s4e s GLU 174 CO 0.10 -0.14 0.87 0.71 -0.54 0.00 0.00 175.26 176.26 1s4e s TYR 175 N 1.31 3.73 -0.15 5.30 1.51 -1.26 -1.30 117.35 126.48 1s4e s TYR 175 Ca -0.08 1.69 -0.03 0.00 -1.01 0.00 0.00 57.07 57.63 1s4e s TYR 175 Cb -0.06 -2.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1s4e s TYR 175 CO -0.13 0.30 0.05 0.42 -1.11 0.00 0.00 175.55 175.07 1s4e s ILE 176 N -1.51 0.26 0.30 2.71 1.01 -0.50 -4.96 121.20 118.51 1s4e s ILE 176 Ca 0.46 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 1s4e s ILE 176 Cb -0.19 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 41.45 1s4e s ILE 176 CO 0.24 -0.11 1.51 -2.84 0.00 0.00 0.00 174.94 173.74 1s4e s PRO 177 N 1.99 4.18 -0.16 2.79 0.02 -1.26 -1.37 135.00 141.19 1s4e s PRO 177 Ca 0.02 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.46 1s4e s PRO 177 Cb -0.15 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 1s4e s PRO 177 CO -0.07 -0.52 -0.01 0.12 -0.33 0.00 0.00 177.00 176.19 1s4e s PHE 178 N -0.33 3.10 0.31 6.54 5.36 -0.82 -4.85 117.98 127.29 1s4e s PHE 178 Ca 0.59 -0.15 -0.29 0.00 -0.96 0.00 0.00 56.93 56.11 1s4e s PHE 178 Cb -0.45 -1.98 -0.12 0.00 -0.34 0.00 0.00 43.02 40.13 1s4e s PHE 178 CO 0.50 0.06 1.49 -2.30 -1.46 0.00 0.00 175.22 173.52 1s4e n PRO 179 N 3.42 2.49 0.22 10.12 -0.02 -1.26 -4.74 135.00 145.23 1s4e n PRO 179 Ca -0.17 0.88 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 1s4e n PRO 179 Cb 0.52 -2.60 0.48 0.00 -0.02 0.00 0.00 33.50 31.88 1s4e n PRO 179 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s4e h LYS 180 N 3.94 0.00 -0.33 -0.52 1.57 -1.97 -2.82 116.57 116.44 1s4e h LYS 180 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1s4e h LYS 180 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1s4e h LYS 180 CO 0.73 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.21 1s4e n ASP 181 N -2.89 2.74 -4.30 0.86 5.75 -1.26 -4.78 116.55 112.67 1s4e n ASP 181 Ca 0.02 -1.90 -0.34 0.00 -0.01 0.00 0.00 54.79 52.57 1s4e n ASP 181 Cb 0.38 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.58 2.99 -0.12 2.12 1.01 -1.06 -1.82 120.40 121.92 1s4e s VAL 182 Ca 0.36 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1s4e s VAL 182 Cb 0.20 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1s4e s VAL 182 CO 0.29 0.49 0.11 -0.44 0.00 0.00 0.00 175.10 175.55 1s4e s SER 183 N 0.93 6.13 -0.32 3.32 0.01 0.11 -4.78 113.70 119.11 1s4e s SER 183 Ca -0.02 0.37 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 1s4e s SER 183 Cb -0.15 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.13 1s4e s SER 183 CO -0.01 0.37 0.92 -0.69 0.41 0.00 0.00 173.24 174.24 1s4e s VAL 184 N -0.80 4.66 -0.36 3.43 1.01 -1.24 -2.00 120.40 125.10 1s4e s VAL 184 Ca 0.13 1.41 -0.19 0.00 0.00 0.00 0.00 61.98 63.34 1s4e s VAL 184 Cb -0.12 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1s4e s VAL 184 CO 0.03 -0.37 0.55 -0.22 0.00 0.00 0.00 175.10 175.09 1s4e s LEU 185 N 3.28 4.34 -0.17 3.92 0.20 -0.50 -2.72 118.68 127.05 1s4e s LEU 185 Ca 0.38 -0.01 -0.09 0.00 0.69 0.00 0.00 54.13 55.10 1s4e s LEU 185 Cb -0.13 -2.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.95 1s4e s LEU 185 CO 0.14 -0.52 0.14 -0.69 -0.29 0.00 0.00 176.35 175.13 1s4e s VAL 186 N 2.48 5.44 -0.17 1.68 1.01 -0.48 -1.72 120.40 128.64 1s4e s VAL 186 Ca 0.20 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1s4e s VAL 186 Cb -0.15 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.84 1s4e s VAL 186 CO 0.14 0.51 0.08 0.12 0.00 0.00 0.00 175.10 175.95 1s4e s PHE 187 N -0.20 0.36 -0.28 5.22 5.36 -0.02 0.06 117.98 128.48 1s4e s PHE 187 Ca 0.11 -0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 55.47 1s4e s PHE 187 Cb -0.11 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1s4e s PHE 187 CO 0.01 -0.53 0.59 -0.47 -1.46 0.00 0.00 175.22 173.36 1s4e s TYR 188 N 2.08 3.25 0.42 10.12 5.04 0.53 -1.06 117.35 137.72 1s4e s TYR 188 Ca 0.01 0.64 0.27 0.00 -2.44 0.00 0.00 57.07 55.56 1s4e s TYR 188 Cb -0.16 -2.87 1.43 0.00 0.35 0.00 0.00 41.96 40.71 1s4e s TYR 188 CO -0.09 -0.38 2.07 1.79 -1.34 0.00 0.00 175.55 177.60 1s4e h THR 189 N 5.47 0.59 0.00 4.34 1.35 -1.66 -2.88 112.91 120.12 1s4e h THR 189 Ca -0.27 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1s4e h THR 189 Cb 1.13 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1s4e h THR 189 CO 0.77 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1s4e n GLY 190 N -0.72 0.42 3.13 5.82 0.00 -1.26 -4.27 105.19 108.30 1s4e n GLY 190 Ca -0.02 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 1.89 0.00 1.61 1.01 -1.26 -4.49 120.40 117.15 1s4e s VAL 191 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1s4e s VAL 191 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1s4e s VAL 191 CO 0.00 0.52 0.00 2.29 0.00 0.00 0.00 175.10 177.91 1s4e n LYS 192 N 4.22 0.00 0.00 2.72 0.00 -1.26 -1.48 118.16 122.36 1s4e n LYS 192 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1s4e n LYS 192 Cb 0.51 -0.09 0.00 0.00 -0.00 0.00 0.00 35.03 35.45 1s4e n LYS 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1s4e n GLU 194 N -1.66 0.00 0.00 -1.58 -0.58 -1.26 -4.84 120.64 110.72 1s4e n GLU 194 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1s4e n GLU 194 Cb 0.00 -0.58 0.34 0.00 -0.57 0.00 0.00 31.44 30.63 1s4e n GLU 194 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1s4e n LEU 195 N -2.40 0.00 -0.14 -4.62 -0.00 -1.26 -4.21 117.00 104.37 1s4e n LEU 195 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 56.01 56.09 1s4e n LEU 195 Cb 0.30 -0.04 0.34 0.00 -0.00 0.00 0.00 43.42 44.02 1s4e n LEU 195 CO 0.00 -0.03 1.21 0.00 -0.00 0.00 0.00 177.39 178.57 1s4e h ALA 196 N 2.71 1.62 0.31 1.47 0.00 -1.92 -1.57 119.26 121.88 1s4e h ALA 196 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1s4e h ALA 196 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1s4e h ALA 196 CO 0.00 0.32 -0.15 0.77 0.00 0.00 0.00 179.25 180.19 1s4e h SER 197 N 0.79 -0.35 0.10 0.00 0.02 -2.00 -1.13 113.55 110.98 1s4e h SER 197 Ca 0.25 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1s4e h SER 197 Cb 0.03 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1s4e h SER 197 CO -0.07 -0.05 -0.20 0.77 -1.14 0.00 0.00 176.83 176.14 1s4e h SER 198 N -0.67 0.19 -0.49 3.07 4.64 -1.80 -1.35 113.55 117.13 1s4e h SER 198 Ca -0.04 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 1s4e h SER 198 Cb 0.47 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1s4e h SER 198 CO 0.07 0.40 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.90 1s4e h GLU 199 N 0.18 1.01 -0.42 4.77 4.39 -1.24 -0.34 114.58 122.93 1s4e h GLU 199 Ca 0.03 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1s4e h GLU 199 Cb 0.47 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1s4e h GLU 199 CO 0.03 1.11 0.26 -0.92 -1.16 0.00 0.00 179.01 178.33 1s4e h TYR 200 N 0.87 0.54 -0.67 4.33 3.20 -0.74 -1.07 116.97 123.44 1s4e h TYR 200 Ca 0.11 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1s4e h TYR 200 Cb 0.79 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1s4e h TYR 200 CO 0.05 0.37 0.24 0.00 -1.64 0.00 0.00 178.16 177.18 1s4e h ALA 201 N 1.12 1.16 -0.16 1.82 0.00 -1.11 -1.61 119.26 120.49 1s4e h ALA 201 Ca 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s4e h ALA 201 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1s4e h ALA 201 CO -0.03 0.60 0.09 0.93 0.00 0.00 0.00 179.25 180.84 1s4e h GLU 202 N 0.98 0.19 0.29 0.00 4.39 -0.58 -0.95 114.58 118.89 1s4e h GLU 202 Ca 0.22 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1s4e h GLU 202 Cb 0.23 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1s4e h GLU 202 CO -0.01 0.12 -0.14 0.00 -1.16 0.00 0.00 179.01 177.82 1s4e h ARG 203 N 0.19 -0.37 -0.73 2.33 2.47 -0.87 -1.95 114.38 115.46 1s4e h ARG 203 Ca 0.06 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.95 1s4e h ARG 203 Cb -0.01 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.30 1s4e h ARG 203 CO -0.03 -0.25 0.24 -0.22 0.56 0.00 0.00 179.97 180.28 1s4e h LYS 204 N -0.39 0.35 -0.27 0.04 3.64 -1.27 -1.24 116.57 117.43 1s4e h LYS 204 Ca -0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1s4e h LYS 204 Cb 0.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1s4e h LYS 204 CO 0.07 0.23 0.05 -0.09 -2.27 0.00 0.00 179.45 177.43 1s4e h ARG 205 N 0.36 0.45 -0.24 1.90 2.43 -0.87 -2.19 114.38 116.21 1s4e h ARG 205 Ca 0.40 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1s4e h ARG 205 Cb 0.64 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1s4e h ARG 205 CO -0.44 0.56 -0.26 0.82 -1.51 0.00 0.00 179.97 179.15 1s4e h ILE 206 N 0.27 1.26 -0.29 1.20 2.04 -1.08 -0.78 117.51 120.13 1s4e h ILE 206 Ca 0.08 -1.26 -0.10 0.00 1.00 0.00 0.00 64.86 64.58 1s4e h ILE 206 Cb 0.33 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1s4e h ILE 206 CO 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 178.15 178.34 1s4e h ALA 207 N 1.32 0.42 -0.54 1.87 0.00 -1.08 -0.73 119.26 120.52 1s4e h ALA 207 Ca 0.06 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1s4e h ALA 207 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1s4e h ALA 207 CO 0.05 0.38 -0.11 0.93 0.00 0.00 0.00 179.25 180.50 1s4e h GLU 208 N 0.41 1.02 -0.77 0.00 5.08 -1.25 -0.94 114.58 118.14 1s4e h GLU 208 Ca 0.06 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1s4e h GLU 208 Cb 0.77 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1s4e h GLU 208 CO 0.06 1.07 0.46 0.93 -1.00 0.00 0.00 179.01 180.52 1s4e h GLU 209 N 0.90 1.04 -0.38 2.33 5.08 -1.09 -1.83 114.58 120.63 1s4e h GLU 209 Ca 0.14 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1s4e h GLU 209 Cb 0.67 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1s4e h GLU 209 CO 0.05 0.74 -0.05 0.77 -1.00 0.00 0.00 179.01 179.51 1s4e h SER 210 N 1.06 0.70 0.22 1.42 0.02 -0.53 -1.87 113.55 114.57 1s4e h SER 210 Ca 0.28 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1s4e h SER 210 Cb -0.03 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1s4e h SER 210 CO -0.05 0.88 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.30 1s4e h LEU 211 N 0.51 0.00 0.06 5.07 3.38 -0.97 -1.84 115.31 121.52 1s4e h LEU 211 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1s4e h LEU 211 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1s4e h LEU 211 CO 0.03 0.15 -1.12 0.03 0.09 0.00 0.00 178.44 177.62 1s4e h ARG 212 N 0.00 0.13 0.18 1.13 3.08 -0.98 -1.23 114.38 116.68 1s4e h ARG 212 Ca -0.00 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1s4e h ARG 212 Cb 0.30 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1s4e h ARG 212 CO 0.02 1.11 -0.09 0.82 -1.07 0.00 0.00 179.97 180.76 1s4e h ILE 213 N 0.04 0.90 0.00 2.04 2.04 -1.16 -3.09 117.51 118.27 1s4e h ILE 213 Ca -0.07 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1s4e h ILE 213 Cb 1.87 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1s4e h ILE 213 CO 0.17 0.08 0.00 -0.07 0.00 0.00 0.00 178.15 178.33 1s4e h LEU 214 N -0.41 0.00 -1.18 1.44 3.38 -1.36 -3.47 115.31 113.71 1s4e h LEU 214 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 1s4e h LEU 214 Cb 0.32 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.19 1s4e h LEU 214 CO 0.04 0.00 -0.57 0.61 0.09 0.00 0.00 178.44 178.61 1s4e n GLY 215 N -0.18 -0.23 3.27 0.83 0.00 -0.71 -5.04 105.19 103.12 1s4e n GLY 215 Ca 0.01 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.71 1.10 0.01 1.61 1.02 -0.55 -5.05 119.74 112.17 1s4e s LYS 216 Ca 0.30 -1.33 0.23 0.00 0.02 0.00 0.00 55.97 55.19 1s4e s LYS 216 Cb -0.13 -0.96 0.04 0.00 -0.52 0.00 0.00 37.83 36.26 1s4e s LYS 216 CO 0.58 0.18 1.07 -0.85 -0.92 0.00 0.00 175.35 175.41 1s4e n GLU 217 N 0.31 0.06 -3.52 1.68 -0.00 -1.26 -4.56 120.64 113.35 1s4e n GLU 217 Ca -0.14 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.16 56.89 1s4e n GLU 217 Cb 0.58 -1.51 -0.04 0.00 -0.00 0.00 0.00 31.44 30.46 1s4e n GLU 217 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1s4e s SER 218 N -3.19 -0.51 0.00 -1.84 0.15 -1.26 -4.79 113.70 102.27 1s4e s SER 218 Ca 0.08 0.39 0.13 0.00 0.70 0.00 0.00 55.95 57.25 1s4e s SER 218 Cb 0.16 0.45 0.56 0.00 -1.71 0.00 0.00 66.02 65.48 1s4e s SER 218 CO 0.81 -0.58 1.42 -1.54 1.20 0.00 0.00 173.24 174.55 1s4e n SER 219 N 0.47 0.00 -0.21 5.45 3.41 -0.78 -3.00 113.62 118.95 1s4e n SER 219 Ca -0.14 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1s4e n SER 219 Cb 0.59 -0.50 0.28 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.00 0.91 0.00 4.33 6.56 -1.82 -3.28 116.57 123.27 1s4e h LYS 220 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1s4e h LYS 220 Cb 0.23 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1s4e h LYS 220 CO 0.00 0.60 -0.53 0.39 -2.06 0.00 0.00 179.45 177.85 1s4e n GLU 221 N -4.45 0.06 -3.11 3.15 1.02 -1.16 -4.98 120.64 111.16 1s4e n GLU 221 Ca 0.09 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 1s4e n GLU 221 Cb 0.11 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.03 4.73 0.24 2.62 1.01 -1.24 -5.08 120.40 119.65 1s4e s VAL 222 Ca 0.10 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1s4e s VAL 222 Cb 0.17 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1s4e s VAL 222 CO 0.70 0.45 0.09 0.41 0.00 0.00 0.00 175.10 176.75 1s4e n THR 223 N 2.36 0.00 -0.09 3.92 -1.04 -1.26 -4.99 114.28 113.18 1s4e n THR 223 Ca -0.06 -1.03 -0.14 0.00 -2.04 0.00 0.00 64.05 60.77 1s4e n THR 223 Cb 0.50 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 1s4e n THR 223 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1s4e h GLU 224 N 0.00 0.89 -0.88 -2.82 4.57 -1.99 -2.21 114.58 112.14 1s4e h GLU 224 Ca -0.17 -0.53 0.06 0.00 -1.18 0.00 0.00 59.36 57.54 1s4e h GLU 224 Cb 0.57 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1s4e h GLU 224 CO 0.28 1.18 0.58 0.87 -1.18 0.00 0.00 179.01 180.73 1s4e h LYS 225 N 0.68 0.97 0.28 1.92 6.56 -1.99 -2.00 116.57 122.99 1s4e h LYS 225 Ca 0.03 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1s4e h LYS 225 Cb 1.10 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1s4e h LYS 225 CO 0.11 0.64 -0.14 -0.44 -2.06 0.00 0.00 179.45 177.57 1s4e h ASP 226 N 0.99 -0.32 -0.99 0.86 3.32 -1.94 -2.99 116.42 115.35 1s4e h ASP 226 Ca 0.38 -0.19 0.25 0.00 0.02 0.00 0.00 57.03 57.50 1s4e h ASP 226 Cb 0.21 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1s4e h ASP 226 CO -0.14 0.04 0.66 -0.07 -1.72 0.00 0.00 179.24 178.01 1s4e h LEU 227 N -0.72 0.33 -0.18 1.55 3.38 -1.10 0.89 115.31 119.46 1s4e h LEU 227 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s4e h LEU 227 Cb 0.49 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1s4e h LEU 227 CO 0.06 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1s4e n GLY 228 N -1.55 -1.46 0.01 0.83 0.00 -0.78 -2.46 105.19 99.78 1s4e n GLY 228 Ca 0.22 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1s4e n GLY 228 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4e n LYS 229 N -1.99 0.03 -3.19 1.61 0.00 0.30 -4.90 118.16 110.02 1s4e n LYS 229 Ca 0.05 0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 58.02 1s4e n LYS 229 Cb 0.33 -1.52 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 1s4e n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1s4e s LEU 230 N -3.13 4.27 0.88 -5.58 1.43 -1.03 -5.03 118.68 110.49 1s4e s LEU 230 Ca 0.12 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 1s4e s LEU 230 Cb 0.18 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.91 1s4e s LEU 230 CO 0.60 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 176.11 1s4e s PRO 231 N -2.23 1.36 0.11 1.29 0.04 -1.26 -4.61 135.00 129.69 1s4e s PRO 231 Ca 0.44 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 1s4e s PRO 231 Cb -0.15 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1s4e s PRO 231 CO 0.20 -2.14 1.46 -1.35 0.04 0.00 0.00 177.00 175.20 1s4e h PRO 232 N -1.47 -0.32 -0.22 0.56 0.11 -1.98 -1.20 132.00 127.49 1s4e h PRO 232 Ca -0.49 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1s4e h PRO 232 Cb 1.29 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1s4e h PRO 232 CO 0.57 -0.21 -0.47 1.25 -0.21 0.00 0.00 178.00 178.93 1s4e h LEU 233 N -0.33 0.61 -1.23 2.35 5.85 -2.00 -1.11 115.31 119.45 1s4e h LEU 233 Ca 0.06 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1s4e h LEU 233 Cb 0.49 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1s4e h LEU 233 CO -0.50 0.98 0.52 0.45 -0.34 0.00 0.00 178.44 179.55 1s4e h HIS 234 N 0.45 0.98 -0.17 1.25 3.86 -1.87 -2.54 115.15 117.10 1s4e h HIS 234 Ca 0.03 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1s4e h HIS 234 Cb 0.99 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1s4e h HIS 234 CO 0.04 0.60 -0.35 -0.09 0.86 0.00 0.00 177.93 178.99 1s4e h ARG 235 N 1.04 0.54 -0.39 2.45 2.43 -0.03 -1.14 114.38 119.29 1s4e h ARG 235 Ca 0.29 -0.36 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1s4e h ARG 235 Cb -0.09 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 1s4e h ARG 235 CO -0.07 0.97 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.10 1s4e h LYS 236 N 0.19 0.06 -0.19 0.20 3.64 -1.23 -0.74 116.57 118.50 1s4e h LYS 236 Ca 0.00 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1s4e h LYS 236 Cb 0.95 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1s4e h LYS 236 CO 0.08 0.04 -0.53 0.74 -2.27 0.00 0.00 179.45 177.51 1s4e h PHE 237 N 0.06 0.91 0.08 1.91 0.05 -1.42 -3.18 116.94 115.35 1s4e h PHE 237 Ca 0.19 -0.35 -0.26 0.00 3.82 0.00 0.00 57.97 61.37 1s4e h PHE 237 Cb 0.28 -0.16 0.01 0.00 2.00 0.00 0.00 35.95 38.08 1s4e h PHE 237 CO -0.30 1.15 -1.12 0.35 -0.18 0.00 0.00 178.31 178.21 1s4e h PHE 238 N 0.41 0.62 -0.74 -0.55 3.57 -1.09 -2.93 116.94 116.23 1s4e h PHE 238 Ca -0.01 -0.39 0.12 0.00 3.53 0.00 0.00 57.97 61.21 1s4e h PHE 238 Cb 1.14 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1s4e h PHE 238 CO 0.09 1.25 0.49 0.77 -2.23 0.00 0.00 178.31 178.69 1s4e h SER 239 N 0.17 0.50 -0.11 0.41 0.02 -1.19 -1.42 113.55 111.93 1s4e h SER 239 Ca -0.12 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1s4e h SER 239 Cb 1.80 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.25 1s4e h SER 239 CO 0.19 0.28 0.05 0.22 -1.14 0.00 0.00 176.83 176.44 1s4e h TYR 240 N 0.55 0.15 -0.87 3.45 3.20 -1.49 -2.28 116.97 119.67 1s4e h TYR 240 Ca 0.35 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.29 1s4e h TYR 240 Cb 0.63 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1s4e h TYR 240 CO -0.00 0.20 0.57 0.82 -1.64 0.00 0.00 178.16 178.11 1s4e h ILE 241 N 0.06 1.05 -0.21 1.81 2.04 -1.25 0.19 117.51 121.20 1s4e h ILE 241 Ca 0.04 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 65.36 1s4e h ILE 241 Cb 0.10 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1s4e h ILE 241 CO -0.01 0.18 -0.68 0.58 0.00 0.00 0.00 178.15 178.22 1s4e h VAL 242 N 0.96 1.27 -0.50 1.67 2.07 -1.19 -1.66 116.25 118.87 1s4e h VAL 242 Ca 0.38 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 1s4e h VAL 242 Cb 0.24 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1s4e h VAL 242 CO -0.14 0.60 -0.06 0.03 0.02 0.00 0.00 177.57 178.02 1s4e h ARG 243 N 0.60 0.88 -0.05 1.57 3.08 -0.83 -2.90 114.38 116.74 1s4e h ARG 243 Ca -0.02 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.77 1s4e h ARG 243 Cb 1.30 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1s4e h ARG 243 CO 0.14 0.92 -0.08 0.93 -1.07 0.00 0.00 179.97 180.81 1s4e h GLU 244 N 0.81 -0.12 -0.97 0.04 4.39 -0.37 -1.36 114.58 117.01 1s4e h GLU 244 Ca 0.14 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.00 1s4e h GLU 244 Cb 0.56 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 1s4e h GLU 244 CO 0.03 -0.08 0.61 -0.91 -1.16 0.00 0.00 179.01 177.51 1s4e h ASN 245 N -0.12 0.78 -0.32 1.42 2.35 -1.19 0.18 115.58 118.68 1s4e h ASN 245 Ca 0.05 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1s4e h ASN 245 Cb 0.19 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1s4e h ASN 245 CO -0.12 0.37 -0.08 0.00 -1.65 0.00 0.00 177.43 175.94 1s4e h ALA 246 N 1.59 0.44 -0.74 -0.83 0.00 -1.26 -2.91 119.26 115.55 1s4e h ALA 246 Ca 0.51 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s4e h ALA 246 Cb 0.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1s4e h ALA 246 CO -0.27 0.27 0.49 0.00 0.00 0.00 0.00 179.25 179.74 1s4e h ARG 247 N 0.39 0.95 -0.25 0.00 3.08 0.42 -2.02 114.38 116.95 1s4e h ARG 247 Ca 0.08 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1s4e h ARG 247 Cb 0.58 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1s4e h ARG 247 CO 0.03 0.63 -0.06 0.28 -1.07 0.00 0.00 179.97 179.78 1s4e h VAL 248 N 0.98 0.75 -0.01 2.04 2.07 -1.11 0.25 116.25 121.22 1s4e h VAL 248 Ca 0.28 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1s4e h VAL 248 Cb -0.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1s4e h VAL 248 CO -0.07 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.27 1s4e h LEU 249 N 0.00 0.01 -0.10 2.57 3.38 -1.22 -0.43 115.31 119.53 1s4e h LEU 249 Ca 0.12 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1s4e h LEU 249 Cb 0.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1s4e h LEU 249 CO -0.25 0.19 -0.83 -0.33 0.09 0.00 0.00 178.44 177.31 1s4e h GLU 250 N 0.01 0.00 -0.45 1.13 3.07 -0.71 -2.65 114.58 114.98 1s4e h GLU 250 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1s4e h GLU 250 Cb 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1s4e h GLU 250 CO 0.02 0.83 -0.16 0.28 -1.40 0.00 0.00 179.01 178.58 1s4e h VAL 251 N 0.00 1.27 -0.12 3.13 2.07 0.28 -1.90 116.25 120.98 1s4e h VAL 251 Ca -0.01 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1s4e h VAL 251 Cb 1.59 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 1s4e h VAL 251 CO 0.11 0.44 -0.21 -0.09 0.02 0.00 0.00 177.57 177.84 1s4e h ARG 252 N 0.74 -0.26 -0.76 1.57 2.43 -1.08 0.24 114.38 117.25 1s4e h ARG 252 Ca 0.11 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1s4e h ARG 252 Cb 0.72 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1s4e h ARG 252 CO 0.05 -0.17 0.47 -0.44 -1.51 0.00 0.00 179.97 178.37 1s4e h ASP 253 N -0.27 0.75 0.11 -3.80 3.32 -1.42 -2.60 116.42 112.51 1s4e h ASP 253 Ca 0.10 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 1s4e h ASP 253 Cb 0.41 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1s4e h ASP 253 CO -0.28 0.50 -0.92 0.00 -1.72 0.00 0.00 179.24 176.83 1s4e h ALA 254 N 1.35 0.30 0.00 3.45 0.00 -0.66 -2.72 119.26 120.98 1s4e h ALA 254 Ca 0.32 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1s4e h ALA 254 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s4e h ALA 254 CO -0.14 0.74 -0.48 1.25 0.00 0.00 0.00 179.25 180.61 1s4e h LEU 255 N 0.36 0.00 -0.28 0.00 6.46 -0.45 -1.25 115.31 120.14 1s4e h LEU 255 Ca -0.08 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.48 1s4e h LEU 255 Cb 1.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1s4e h LEU 255 CO 0.17 0.48 -0.87 0.11 -0.62 0.00 0.00 178.44 177.72 1s4e h LYS 256 N 0.00 0.25 0.00 1.25 1.57 -1.41 -3.01 116.57 115.22 1s4e h LYS 256 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1s4e h LYS 256 Cb 0.87 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1s4e h LYS 256 CO 0.06 0.97 0.00 0.39 -0.57 0.00 0.00 179.45 180.31 1s4e n GLU 257 N -3.70 0.35 -1.00 3.15 4.71 -1.03 -4.90 120.64 118.23 1s4e n GLU 257 Ca -0.04 0.02 -0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1s4e n GLU 257 Cb 0.80 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.73 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 1.15 0.36 3.56 0.62 0.00 -0.85 -4.96 105.19 105.07 1s4e n GLY 258 Ca 0.12 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1s4e n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4e s ASP 259 N -2.01 6.45 0.18 1.61 -1.08 -0.53 -4.81 116.67 116.47 1s4e s ASP 259 Ca 0.00 -1.29 0.08 0.00 -0.52 0.00 0.00 52.55 50.82 1s4e s ASP 259 Cb 0.00 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1s4e s ASP 259 CO 0.00 -1.56 1.40 -0.29 0.52 0.00 0.00 175.17 175.24 1s4e h ILE 260 N 6.68 1.61 -0.87 4.11 6.09 -1.93 -3.10 117.51 130.09 1s4e h ILE 260 Ca 0.13 -2.94 0.03 0.00 -1.37 0.00 0.00 64.86 60.71 1s4e h ILE 260 Cb 1.02 2.59 -0.05 0.00 0.47 0.00 0.00 36.82 40.85 1s4e h ILE 260 CO 1.41 0.84 0.57 -0.33 -3.07 0.00 0.00 178.15 177.57 1s4e h GLU 261 N 0.00 1.05 -0.05 2.19 3.07 -1.91 -1.16 114.58 117.78 1s4e h GLU 261 Ca -0.01 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.55 1s4e h GLU 261 Cb 1.52 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 29.21 1s4e h GLU 261 CO 0.11 0.70 -0.91 -0.22 -1.40 0.00 0.00 179.01 177.29 1s4e h LYS 262 N 1.08 0.61 -0.61 2.33 3.11 -1.93 -2.96 116.57 118.20 1s4e h LYS 262 Ca 0.34 -0.59 -0.03 0.00 -2.81 0.00 0.00 60.65 57.57 1s4e h LYS 262 Cb 0.02 0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 1s4e h LYS 262 CO -0.10 1.20 0.26 0.28 -2.81 0.00 0.00 179.45 178.28 1s4e h VAL 263 N 0.37 1.22 -0.31 2.00 2.07 -1.40 -2.05 116.25 118.15 1s4e h VAL 263 Ca -0.08 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1s4e h VAL 263 Cb 1.54 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1s4e h VAL 263 CO 0.17 0.27 -0.05 1.23 0.02 0.00 0.00 177.57 179.21 1s4e h GLY 264 N 0.84 0.63 1.58 2.17 0.00 -1.27 -1.91 103.07 105.12 1s4e h GLY 264 Ca 0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1s4e h GLY 264 CO -0.02 0.46 0.18 0.50 0.00 0.00 0.00 176.54 177.66 1s4e h LYS 265 N 0.37 0.55 -0.03 4.80 1.57 -1.46 -0.89 116.57 121.47 1s4e h LYS 265 Ca 0.08 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1s4e h LYS 265 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1s4e h LYS 265 CO 0.03 0.43 -0.58 0.82 -0.57 0.00 0.00 179.45 179.58 1s4e h ILE 266 N 0.55 1.40 -0.33 1.86 2.04 -1.00 -2.45 117.51 119.58 1s4e h ILE 266 Ca 0.14 -1.97 -0.15 0.00 1.00 0.00 0.00 64.86 63.88 1s4e h ILE 266 Cb 0.07 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1s4e h ILE 266 CO -0.02 0.57 -0.37 -0.07 0.00 0.00 0.00 178.15 178.26 1s4e h LEU 267 N 0.06 0.91 -0.19 1.44 3.38 -0.42 -2.39 115.31 118.10 1s4e h LEU 267 Ca -0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1s4e h LEU 267 Cb 1.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1s4e h LEU 267 CO 0.08 1.20 0.09 0.74 0.09 0.00 0.00 178.44 180.64 1s4e h THR 268 N 0.63 1.14 -0.70 0.22 2.02 -1.16 0.04 112.91 115.10 1s4e h THR 268 Ca 0.05 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 66.93 1s4e h THR 268 Cb 0.96 1.07 -0.08 0.00 -1.74 0.00 0.00 68.15 68.36 1s4e h THR 268 CO 0.09 0.14 0.28 0.74 0.37 0.00 0.00 175.52 177.14 1s4e h THR 269 N 0.17 0.72 -0.42 3.16 2.02 -1.43 -1.73 112.91 115.41 1s4e h THR 269 Ca 0.07 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1s4e h THR 269 Cb 0.14 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1s4e h THR 269 CO -0.01 0.08 -0.08 0.00 0.37 0.00 0.00 175.52 175.88 1s4e h ALA 270 N 1.49 1.07 -0.68 6.16 0.00 -0.88 -2.48 119.26 123.94 1s4e h ALA 270 Ca 0.37 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s4e h ALA 270 Cb 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1s4e h ALA 270 CO -0.35 0.57 0.43 1.25 0.00 0.00 0.00 179.25 181.15 1s4e h HIS 271 N 0.67 0.81 0.00 0.00 6.17 -0.07 -2.06 115.15 120.66 1s4e h HIS 271 Ca 0.12 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1s4e h HIS 271 Cb 0.53 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1s4e h HIS 271 CO 0.03 0.47 0.00 0.91 0.71 0.00 0.00 177.93 180.05 1s4e n TRP 272 N -4.66 0.54 -0.07 5.26 7.02 -1.06 -0.79 117.44 123.69 1s4e n TRP 272 Ca 0.07 0.16 -0.13 0.00 -1.02 0.00 0.00 57.50 56.57 1s4e n TRP 272 Cb 0.07 -0.76 -0.12 0.00 -2.42 0.00 0.00 31.31 28.08 1s4e n TRP 272 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1s4e h ASP 273 N 0.00 0.00 -0.70 -0.99 1.82 -1.20 -1.19 116.42 114.17 1s4e h ASP 273 Ca 0.00 -0.96 0.15 0.00 -0.39 0.00 0.00 57.03 55.83 1s4e h ASP 273 Cb 0.64 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.52 1s4e h ASP 273 CO 0.00 0.98 -0.04 -0.07 -1.61 0.00 0.00 179.24 178.50 1s4e h LEU 274 N -1.00 -0.41 0.38 2.28 3.38 -1.30 0.17 115.31 118.81 1s4e h LEU 274 Ca -0.00 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1s4e h LEU 274 Cb 0.96 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1s4e h LEU 274 CO -0.00 -0.18 -0.18 0.00 0.09 0.00 0.00 178.44 178.17 1s4e h ALA 275 N 1.66 -0.51 0.12 1.53 0.00 -1.01 -0.15 119.26 120.90 1s4e h ALA 275 Ca 0.37 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1s4e h ALA 275 Cb 0.61 0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.63 1s4e h ALA 275 CO -0.64 -0.61 -1.21 0.93 0.00 0.00 0.00 179.25 177.72 1s4e h GLU 276 N -0.86 0.61 0.00 0.00 4.39 -1.05 -3.20 114.58 114.47 1s4e h GLU 276 Ca -0.05 -0.82 -0.37 0.00 0.34 0.00 0.00 59.36 58.46 1s4e h GLU 276 Cb 0.54 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 1s4e h GLU 276 CO 0.09 1.37 -2.20 0.09 -1.16 0.00 0.00 179.01 177.20 1s4e n ASN 277 N -3.82 1.95 0.19 1.42 3.02 0.53 -4.48 115.26 114.07 1s4e n ASN 277 Ca -0.14 0.34 0.14 0.00 -0.03 0.00 0.00 54.58 54.89 1s4e n ASN 277 Cb 0.97 -0.81 0.48 0.00 -0.61 0.00 0.00 39.78 39.81 1s4e n ASN 277 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1s4e h TYR 278 N -1.00 0.00 -6.07 3.10 3.20 -0.97 -3.43 116.97 111.80 1s4e h TYR 278 Ca -0.55 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 60.89 1s4e h TYR 278 Cb 1.48 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.80 1s4e h TYR 278 CO -0.16 0.00 -0.75 0.54 -1.64 0.00 0.00 178.16 176.16 1s4e n ARG 279 N -2.67 -6.34 -0.00 1.82 1.74 -0.11 -4.93 116.66 106.17 1s4e n ARG 279 Ca 0.03 0.70 0.01 0.00 -0.77 0.00 0.00 57.85 57.81 1s4e n ARG 279 Cb 0.35 -5.61 0.01 0.00 -1.02 0.00 0.00 32.46 26.19 1s4e n ARG 279 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1s4e n VAL 280 N -4.68 0.10 -2.24 1.55 0.24 -1.18 -5.01 118.33 107.11 1s4e n VAL 280 Ca -0.05 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.34 61.48 1s4e n VAL 280 Cb 0.57 0.98 0.13 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.05 0.72 -3.68 -1.34 2.88 -1.26 0.38 113.62 111.36 1s4e n SER 281 Ca 0.01 -1.74 -0.11 0.00 -1.33 0.00 0.00 58.87 55.70 1s4e n SER 281 Cb 0.06 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 62.81 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 2.20 0.40 0.02 0.00 4.81 -2.00 -1.43 114.58 118.59 1s4e h GLU 283 Ca -0.28 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.64 1s4e h GLU 283 Cb 1.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1s4e h GLU 283 CO 0.37 0.27 -1.65 1.05 -0.73 0.00 0.00 179.01 178.32 1s4e h GLU 284 N 0.42 0.05 -0.38 1.92 9.09 -1.98 0.16 114.58 123.85 1s4e h GLU 284 Ca 0.59 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.92 1s4e h GLU 284 Cb 1.16 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 1s4e h GLU 284 CO -0.53 0.68 0.24 -0.07 0.05 0.00 0.00 179.01 179.37 1s4e h LEU 285 N 0.01 0.46 -0.76 3.06 3.38 -1.90 -2.25 115.31 117.30 1s4e h LEU 285 Ca -0.27 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1s4e h LEU 285 Cb 1.99 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1s4e h LEU 285 CO 0.09 0.36 0.50 0.44 0.09 0.00 0.00 178.44 179.93 1s4e h ASP 286 N 0.51 0.88 -0.51 -0.43 5.19 -1.01 -1.43 116.42 119.62 1s4e h ASP 286 Ca 0.14 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1s4e h ASP 286 Cb -0.01 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.23 1s4e h ASP 286 CO -0.03 0.64 0.24 0.15 -3.12 0.00 0.00 179.24 177.13 1s4e h PHE 287 N 1.04 0.45 -0.57 4.55 3.57 -0.89 -2.16 116.94 122.92 1s4e h PHE 287 Ca 0.28 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1s4e h PHE 287 Cb -0.12 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1s4e h PHE 287 CO -0.02 0.20 0.27 0.35 -2.23 0.00 0.00 178.31 176.88 1s4e h PHE 288 N 0.47 0.49 -0.15 0.41 3.57 -0.65 -2.05 116.94 119.03 1s4e h PHE 288 Ca 0.23 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1s4e h PHE 288 Cb 0.17 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1s4e h PHE 288 CO -0.11 0.21 -0.20 0.28 -2.23 0.00 0.00 178.31 176.25 1s4e h VAL 289 N 0.51 1.36 -0.21 1.41 2.07 -0.98 -0.83 116.25 119.58 1s4e h VAL 289 Ca 0.26 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1s4e h VAL 289 Cb 0.22 1.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1s4e h VAL 289 CO -0.21 0.42 -0.44 0.11 0.02 0.00 0.00 177.57 177.47 1s4e h LYS 290 N 0.01 -0.45 0.00 1.57 6.56 -1.28 -2.22 116.57 120.77 1s4e h LYS 290 Ca 0.02 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1s4e h LYS 290 Cb 0.76 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1s4e h LYS 290 CO 0.05 -0.30 -0.12 0.87 -2.06 0.00 0.00 179.45 177.89 1s4e h LYS 291 N -0.46 0.00 -0.94 3.15 6.56 -1.29 -1.53 116.57 122.06 1s4e h LYS 291 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1s4e h LYS 291 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1s4e h LYS 291 CO -0.45 0.12 0.00 0.00 -2.06 0.00 0.00 179.45 177.05 1s4e n ALA 292 N -2.31 2.19 0.00 3.86 0.00 -0.32 -2.26 120.51 121.66 1s4e n ALA 292 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1s4e n ALA 292 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.31 0.00 -0.44 0.00 1.02 -0.58 -1.99 120.64 118.96 1s4e n GLU 294 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1s4e n GLU 294 Cb 0.26 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.01 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 4.20 0.00 -4.62 4.77 -0.96 -4.96 117.00 115.43 1s4e n LEU 295 Ca 0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 1s4e n LEU 295 Cb 0.00 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1s4e n LEU 295 CO 0.00 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1s4e n GLY 296 N 1.47 0.91 3.59 -0.72 0.00 -1.14 -4.97 105.19 104.33 1s4e n GLY 296 Ca 0.25 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.53 -0.76 0.21 4.61 0.00 -0.84 -4.92 120.51 117.28 1s4e n ALA 297 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1s4e n ALA 297 Cb 0.00 -2.08 0.40 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.79 0.00 0.00 0.00 -1.99 -0.83 -3.48 116.97 109.88 1s4e h TYR 298 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1s4e h TYR 298 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1s4e h TYR 298 CO 0.42 0.23 0.00 0.41 -0.00 0.00 0.00 178.16 179.22 1s4e n GLY 299 N 0.34 2.68 3.26 3.88 0.00 -1.24 -3.44 105.19 110.68 1s4e n GLY 299 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1s4e n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e s ALA 300 N -2.00 0.36 -0.25 4.61 0.00 -1.26 -0.28 121.76 122.94 1s4e s ALA 300 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 1s4e s ALA 300 Cb 0.00 0.87 0.15 0.00 0.00 0.00 0.00 23.12 24.14 1s4e s ALA 300 CO 0.00 -0.58 1.18 0.50 0.00 0.00 0.00 175.76 176.86 1s4e s ARG 301 N -4.00 0.34 0.70 0.00 3.52 -0.56 -3.59 118.95 115.35 1s4e s ARG 301 Ca 0.20 0.22 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 1s4e s ARG 301 Cb 0.05 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 1s4e s ARG 301 CO 0.01 -0.08 1.15 -0.48 -0.81 0.00 0.00 175.30 175.09 1s4e s LEU 302 N -0.47 3.34 0.11 -0.88 0.05 -1.26 -0.33 118.68 119.23 1s4e s LEU 302 Ca 0.04 2.16 0.07 0.00 0.05 0.00 0.00 54.13 56.44 1s4e s LEU 302 Cb -0.03 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 39.51 1s4e s LEU 302 CO -0.06 -1.95 -0.16 0.28 -0.55 0.00 0.00 176.35 173.90 1s4e s THR 303 N -2.20 1.43 0.00 5.48 -1.32 -0.88 -4.71 115.64 113.43 1s4e s THR 303 Ca 0.70 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1s4e s THR 303 Cb -0.24 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1s4e s THR 303 CO 0.44 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 1s4e n GLY 304 N 0.83 -0.65 0.19 6.08 0.00 -1.26 -4.41 105.19 105.96 1s4e n GLY 304 Ca -0.18 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.17 0.51 0.00 4.61 0.00 -1.93 -3.45 119.26 118.83 1s4e h ALA 305 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1s4e h ALA 305 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s4e h ALA 305 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1s4e n GLY 306 N 0.62 0.11 3.40 0.00 0.00 -1.26 -4.90 105.19 103.16 1s4e n GLY 306 Ca -0.05 -2.26 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 -2.27 -3.85 1.61 3.01 0.16 -4.34 117.46 111.78 1s4e n PHE 307 Ca 0.00 0.74 0.00 0.00 1.01 0.00 0.00 57.45 59.20 1s4e n PHE 307 Cb 0.00 -3.98 0.00 0.00 -0.01 0.00 0.00 39.48 35.49 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 -1.37 -0.65 6.74 1.37 0.00 -1.26 -4.58 105.19 105.43 1s4e n GLY 308 Ca -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.33 3.70 -0.02 0.00 -0.55 -4.96 105.19 103.03 1s4e n GLY 309 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 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 4.33 0.09 1.61 0.01 -1.26 -1.89 113.70 112.59 1s4e s SER 310 Ca 0.00 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 56.24 1s4e s SER 310 Cb 0.00 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1s4e s SER 310 CO 0.00 -0.43 -0.09 0.00 0.41 0.00 0.00 173.24 173.13 1s4e s ALA 311 N -2.57 1.01 0.21 1.44 0.00 -0.22 -2.07 121.76 119.55 1s4e s ALA 311 Ca 0.38 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1s4e s ALA 311 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1s4e s ALA 311 CO 0.21 -0.07 0.11 0.96 0.00 0.00 0.00 175.76 176.97 1s4e s ILE 312 N -2.50 4.18 -0.03 0.00 -4.36 0.55 -0.84 121.20 118.20 1s4e s ILE 312 Ca 0.04 -1.36 -0.00 0.00 -0.26 0.00 0.00 60.65 59.07 1s4e s ILE 312 Cb -0.02 -3.18 0.03 0.00 1.25 0.00 0.00 42.46 40.54 1s4e s ILE 312 CO -0.01 -0.22 0.02 0.00 0.24 0.00 0.00 174.94 174.97 1s4e s ALA 313 N -1.94 0.31 -0.17 2.27 0.00 -0.70 -1.49 121.76 120.04 1s4e s ALA 313 Ca 0.31 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 1s4e s ALA 313 Cb -0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1s4e s ALA 313 CO 0.22 -0.20 1.02 -0.51 0.00 0.00 0.00 175.76 176.30 1s4e s LEU 314 N 1.35 4.17 -0.08 0.00 1.43 0.62 -1.40 118.68 124.77 1s4e s LEU 314 Ca -0.05 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1s4e s LEU 314 Cb -0.13 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.58 1s4e s LEU 314 CO -0.03 -0.56 0.40 -0.69 0.23 0.00 0.00 176.35 175.70 1s4e s VAL 315 N 2.62 0.03 0.31 -1.59 1.01 -0.85 -0.08 120.40 121.84 1s4e s VAL 315 Ca 0.46 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1s4e s VAL 315 Cb -0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 1s4e s VAL 315 CO 0.12 -0.12 1.43 -1.81 0.00 0.00 0.00 175.10 174.72 1s4e s ASP 316 N -0.64 6.59 0.25 3.32 -0.00 -1.26 0.09 116.67 125.02 1s4e s ASP 316 Ca -0.07 2.79 -0.06 0.00 -0.00 0.00 0.00 52.55 55.21 1s4e s ASP 316 Cb -0.04 -2.64 0.26 0.00 -0.00 0.00 0.00 42.92 40.50 1s4e s ASP 316 CO 0.03 -0.72 1.87 0.07 -0.00 0.00 0.00 175.17 176.43 1s4e h LYS 317 N 4.10 1.21 0.00 8.23 5.09 -1.68 -2.39 116.57 131.14 1s4e h LYS 317 Ca -0.48 -0.14 0.00 0.00 0.09 0.00 0.00 60.65 60.12 1s4e h LYS 317 Cb 1.22 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 33.31 1s4e h LYS 317 CO 0.71 0.88 0.00 -0.40 -2.09 0.00 0.00 179.45 178.56 1s4e n ASP 318 N -4.34 0.00 -0.75 7.07 3.85 -1.26 -2.70 116.55 118.43 1s4e n ASP 318 Ca 0.09 -0.24 0.06 0.00 -0.71 0.00 0.00 54.79 53.99 1s4e n ASP 318 Cb 0.09 -0.23 0.12 0.00 -1.35 0.00 0.00 41.12 39.76 1s4e n ASP 318 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1s4e n LYS 319 N -1.23 0.94 0.16 0.11 5.02 -1.01 -4.86 118.16 117.28 1s4e n LYS 319 Ca 0.14 -2.59 -0.10 0.00 -2.02 0.00 0.00 58.31 53.75 1s4e n LYS 319 Cb 0.19 -1.04 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.73 -0.48 -0.14 7.82 0.00 -1.22 -2.76 119.26 123.21 1s4e h ALA 320 Ca -0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1s4e h ALA 320 Cb 1.29 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1s4e h ALA 320 CO 0.03 -0.48 0.10 1.57 0.00 0.00 0.00 179.25 180.47 1s4e h LYS 321 N -1.06 0.04 -0.06 0.00 5.09 -1.89 -0.52 116.57 118.17 1s4e h LYS 321 Ca -0.05 -0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.53 1s4e h LYS 321 Cb 0.46 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 1s4e h LYS 321 CO 0.08 0.02 -0.68 1.15 -2.09 0.00 0.00 179.45 177.94 1s4e h THR 322 N 0.04 1.41 0.01 0.07 2.02 -1.90 -2.92 112.91 111.64 1s4e h THR 322 Ca 0.07 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 1s4e h THR 322 Cb 0.22 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1s4e h THR 322 CO -0.00 0.63 -0.01 0.40 0.37 0.00 0.00 175.52 176.91 1s4e h ILE 323 N 0.18 1.51 -0.21 3.11 2.04 -1.04 -3.25 117.51 119.85 1s4e h ILE 323 Ca -0.02 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 63.96 1s4e h ILE 323 Cb 1.22 2.74 -0.05 0.00 -0.74 0.00 0.00 36.82 39.99 1s4e h ILE 323 CO 0.11 0.47 -0.41 1.23 0.00 0.00 0.00 178.15 179.55 1s4e h GLY 324 N -0.89 -1.23 -0.23 5.37 0.00 -1.24 -2.44 103.07 102.41 1s4e h GLY 324 Ca -0.00 0.72 0.28 0.00 0.00 0.00 0.00 47.33 48.33 1s4e h GLY 324 CO 0.00 -0.29 0.68 -0.55 0.00 0.00 0.00 176.54 176.39 1s4e h ASP 325 N -0.36 0.44 0.12 0.19 5.19 -1.67 0.01 116.42 120.33 1s4e h ASP 325 Ca 0.04 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1s4e h ASP 325 Cb 0.47 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1s4e h ASP 325 CO -0.39 0.06 -0.06 0.00 -3.12 0.00 0.00 179.24 175.73 1s4e h ALA 326 N 1.63 -0.16 -1.00 3.45 0.00 -1.48 -3.07 119.26 118.63 1s4e h ALA 326 Ca 0.62 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1s4e h ALA 326 Cb 1.59 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1s4e h ALA 326 CO -0.32 -0.44 0.66 0.82 0.00 0.00 0.00 179.25 179.97 1s4e h ILE 327 N -0.46 1.25 -0.12 0.00 2.04 -1.04 -3.44 117.51 115.74 1s4e h ILE 327 Ca -0.02 -0.46 -0.66 0.00 1.00 0.00 0.00 64.86 64.72 1s4e h ILE 327 Cb 0.37 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1s4e h ILE 327 CO 0.03 0.25 2.63 -0.11 0.00 0.00 0.00 178.15 180.94 1s4e n LEU 328 N -4.39 5.50 0.00 1.44 0.00 -0.07 -4.54 117.00 114.94 1s4e n LEU 328 Ca 0.12 -3.64 0.00 0.00 0.00 0.00 0.00 56.01 52.49 1s4e n LEU 328 Cb 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 41.94 1s4e n LEU 328 CO 0.37 0.33 0.00 0.00 0.00 0.00 0.00 177.39 178.09 1s4e n TYR 331 N 7.34 0.00 0.64 1.96 9.36 -1.26 -4.65 117.16 130.55 1s4e n TYR 331 Ca 0.50 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.75 1s4e n TYR 331 Cb 0.41 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 39.29 1s4e n TYR 331 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1s4e n LEU 332 N 0.00 0.00 -0.00 2.98 7.99 -1.26 -1.21 117.00 125.50 1s4e n LEU 332 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.05 1s4e n LEU 332 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 1s4e n LEU 332 CO 0.00 0.00 -0.55 0.00 -1.51 0.00 0.00 177.39 175.33 1s4e n ALA 333 N -0.79 2.44 0.37 -1.18 0.00 -1.26 -4.53 120.51 115.56 1s4e n ALA 333 Ca 0.04 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1s4e n ALA 333 Cb 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.76 0.42 -4.01 0.00 3.00 -0.61 -4.98 118.16 110.22 1s4e n LYS 334 Ca -0.01 0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.22 1s4e n LYS 334 Cb 0.24 -1.66 -0.11 0.00 0.00 0.00 0.00 35.03 33.49 1s4e n LYS 334 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1s4e s PHE 335 N -3.28 0.39 -2.49 5.64 0.40 -0.35 -5.04 117.98 113.25 1s4e s PHE 335 Ca 0.01 -0.56 0.27 0.00 -0.60 0.00 0.00 56.93 56.05 1s4e s PHE 335 Cb 0.13 -0.26 0.96 0.00 0.51 0.00 0.00 43.02 44.36 1s4e s PHE 335 CO 0.80 -0.17 1.69 -1.13 0.70 0.00 0.00 175.22 177.11 1s4e n SER 336 N 1.46 1.62 -4.78 1.36 3.41 -1.26 -4.48 113.62 110.95 1s4e n SER 336 Ca -0.23 -1.56 -0.31 0.00 -0.26 0.00 0.00 58.87 56.51 1s4e n SER 336 Cb 0.55 -0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.96 2.68 -1.13 7.33 0.52 -1.26 -4.96 118.94 120.15 1s4e s TRP 337 Ca 0.37 1.53 -0.06 0.00 0.02 0.00 0.00 56.10 57.96 1s4e s TRP 337 Cb 0.20 -3.04 0.27 0.00 -1.15 0.00 0.00 33.47 29.76 1s4e s TRP 337 CO 0.32 -1.67 1.51 1.63 0.02 0.00 0.00 176.95 178.76 1s4e n LYS 338 N -3.25 4.14 -2.75 4.98 5.02 -1.26 -4.94 118.16 120.10 1s4e n LYS 338 Ca 0.09 -4.31 -0.37 0.00 -2.02 0.00 0.00 58.31 51.70 1s4e n LYS 338 Cb 0.53 -2.62 -0.06 0.00 -0.02 0.00 0.00 35.03 32.85 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 -1.76 3.21 0.22 7.82 0.00 -1.26 -4.46 121.76 125.53 1s4e s ALA 339 Ca 0.33 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1s4e s ALA 339 Cb 0.03 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1s4e s ALA 339 CO 0.06 0.13 -0.09 0.15 0.00 0.00 0.00 175.76 176.01 1s4e s LYS 340 N -2.06 1.34 0.22 0.00 -0.14 -1.09 -5.00 119.74 113.02 1s4e s LYS 340 Ca 0.50 -1.63 0.06 0.00 -1.36 0.00 0.00 55.97 53.55 1s4e s LYS 340 Cb -0.19 -0.96 -0.05 0.00 -1.68 0.00 0.00 37.83 34.94 1s4e s LYS 340 CO 0.25 0.08 -0.09 1.52 -0.76 0.00 0.00 175.35 176.35 1s4e s TYR 341 N -3.12 1.70 -0.10 3.18 -0.85 -1.26 -0.35 117.35 116.56 1s4e s TYR 341 Ca 0.24 -0.68 -0.04 0.00 -0.52 0.00 0.00 57.07 56.07 1s4e s TYR 341 Cb 0.02 -0.89 0.05 0.00 0.38 0.00 0.00 41.96 41.53 1s4e s TYR 341 CO 0.07 0.24 0.20 -0.06 -1.52 0.00 0.00 175.55 174.49 1s4e s PHE 342 N -3.09 -0.28 -0.05 -3.49 0.40 0.11 -4.98 117.98 106.59 1s4e s PHE 342 Ca 0.25 0.73 -0.26 0.00 -0.60 0.00 0.00 56.93 57.05 1s4e s PHE 342 Cb 0.02 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.40 1s4e s PHE 342 CO 0.08 -0.28 0.79 0.08 0.70 0.00 0.00 175.22 176.60 1s4e s VAL 343 N 2.00 4.98 -0.12 -0.44 1.01 -1.26 -1.38 120.40 125.20 1s4e s VAL 343 Ca -0.01 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1s4e s VAL 343 Cb -0.12 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1s4e s VAL 343 CO -0.07 0.21 0.01 -0.69 0.00 0.00 0.00 175.10 174.56 1s4e s VAL 344 N 0.96 0.42 0.33 2.92 1.01 -1.10 -5.00 120.40 119.94 1s4e s VAL 344 Ca 0.42 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 1s4e s VAL 344 Cb -0.19 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.39 1s4e s VAL 344 CO 0.21 0.09 0.82 -1.59 0.00 0.00 0.00 175.10 174.62 1s4e s LYS 345 N 1.94 4.19 1.22 2.72 -2.85 -1.26 -3.68 119.74 122.02 1s4e s LYS 345 Ca 0.03 0.92 -0.17 0.00 -1.00 0.00 0.00 55.97 55.75 1s4e s LYS 345 Cb -0.14 -2.49 0.30 0.00 -2.06 0.00 0.00 37.83 33.43 1s4e s LYS 345 CO -0.06 0.17 1.02 -2.14 0.10 0.00 0.00 175.35 174.44 1s4e s PRO 346 N -2.73 -1.37 0.06 1.78 0.02 -1.26 -2.39 135.00 129.11 1s4e s PRO 346 Ca 0.54 0.39 -0.26 0.00 0.02 0.00 0.00 61.00 61.68 1s4e s PRO 346 Cb -0.12 -1.54 0.08 0.00 0.02 0.00 0.00 34.50 32.94 1s4e s PRO 346 CO 0.18 -3.91 0.68 0.45 -0.33 0.00 0.00 177.00 174.07 1s4e s SER 347 N -3.13 -0.56 0.71 2.53 0.15 -0.62 -4.57 113.70 108.21 1s4e s SER 347 Ca 0.68 0.21 -0.14 0.00 0.70 0.00 0.00 55.95 57.41 1s4e s SER 347 Cb -0.18 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1s4e s SER 347 CO 0.60 -0.79 1.13 -1.81 1.20 0.00 0.00 173.24 173.56 1s4e s ASP 348 N -2.21 4.71 0.92 5.45 1.01 -1.26 -2.22 116.67 123.06 1s4e s ASP 348 Ca -0.02 2.05 -0.14 0.00 0.71 0.00 0.00 52.55 55.15 1s4e s ASP 348 Cb -0.01 -2.55 0.18 0.00 1.01 0.00 0.00 42.92 41.55 1s4e s ASP 348 CO -0.06 -1.90 1.27 -0.83 0.21 0.00 0.00 175.17 173.86 1s4e s GLY 349 N -2.62 1.76 0.03 0.21 0.00 0.11 -4.72 107.32 102.09 1s4e s GLY 349 Ca 0.67 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1s4e s GLY 349 CO 0.46 -0.51 0.76 3.33 0.00 0.00 0.00 173.10 177.14 1s4e n VAL 350 N -3.61 0.30 -3.87 1.40 0.24 -0.46 -4.88 118.33 107.46 1s4e n VAL 350 Ca 0.15 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1s4e n VAL 350 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.26 0.59 0.61 7.63 0.00 -1.14 -5.00 105.19 109.14 1s4e n GLY 351 Ca 0.16 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.41 1s4e n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70