#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 -0.71 -3.70 4.33 4.76 -1.26 -5.05 118.16 116.53 1s4e n LYS 3 Ca 0.00 0.96 -0.30 0.00 -2.87 0.00 0.00 58.31 56.10 1s4e n LYS 3 Cb 0.00 -1.68 -0.04 0.00 -1.84 0.00 0.00 35.03 31.47 1s4e n LYS 3 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1s4e s ILE 4 N -0.15 5.20 -0.20 -0.18 -4.36 -0.83 -4.91 121.20 115.78 1s4e s ILE 4 Ca -0.04 -0.17 0.01 0.00 -0.26 0.00 0.00 60.65 60.19 1s4e s ILE 4 Cb 0.00 -3.67 0.03 0.00 1.25 0.00 0.00 42.46 40.08 1s4e s ILE 4 CO 0.13 -0.05 -0.14 -0.89 0.24 0.00 0.00 174.94 174.23 1s4e s THR 5 N -1.74 1.87 -0.18 8.37 2.01 -1.26 -1.99 115.64 122.72 1s4e s THR 5 Ca 0.39 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1s4e s THR 5 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1s4e s THR 5 CO 0.27 0.31 0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1s4e s VAL 6 N 1.32 4.54 -0.30 3.82 1.01 -0.13 -4.43 120.40 126.24 1s4e s VAL 6 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1s4e s VAL 6 Cb -0.15 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1s4e s VAL 6 CO -0.10 0.47 0.11 -0.54 0.00 0.00 0.00 175.10 175.05 1s4e s LYS 7 N 0.37 3.27 -0.25 2.72 3.01 -1.09 -0.44 119.74 127.33 1s4e s LYS 7 Ca 0.01 -0.75 -0.05 0.00 -1.01 0.00 0.00 55.97 54.17 1s4e s LYS 7 Cb -0.13 -3.46 -0.00 0.00 -1.01 0.00 0.00 37.83 33.23 1s4e s LYS 7 CO 0.01 -0.40 0.00 0.45 0.51 0.00 0.00 175.35 175.92 1s4e s SER 8 N 1.57 4.64 0.68 2.83 0.15 -0.01 -2.14 113.70 121.41 1s4e s SER 8 Ca 0.04 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 1s4e s SER 8 Cb -0.17 -1.80 -0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1s4e s SER 8 CO 0.04 -0.07 1.05 -2.16 1.20 0.00 0.00 173.24 173.30 1s4e s PRO 9 N 1.49 3.10 0.00 5.44 0.04 -1.26 0.02 135.00 143.83 1s4e s PRO 9 Ca 0.05 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1s4e s PRO 9 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1s4e s PRO 9 CO -0.01 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1s4e n GLY 10 N -2.23 -0.71 3.31 0.56 0.00 -0.14 -4.45 105.19 101.52 1s4e n GLY 10 Ca 0.07 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.16 1.05 0.03 1.61 1.04 -0.19 -2.23 118.95 118.10 1s4e s ARG 11 Ca 0.00 -0.98 -0.02 0.00 -1.04 0.00 0.00 55.73 53.69 1s4e s ARG 11 Cb 0.00 0.40 -0.02 0.00 -2.04 0.00 0.00 34.95 33.28 1s4e s ARG 11 CO 0.00 -0.38 0.01 0.08 -0.04 0.00 0.00 175.30 174.96 1s4e s VAL 12 N -3.89 0.15 -0.17 4.99 1.01 -1.26 -4.46 120.40 116.77 1s4e s VAL 12 Ca 0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 1s4e s VAL 12 Cb 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1s4e s VAL 12 CO -0.06 -0.69 0.01 0.21 0.00 0.00 0.00 175.10 174.57 1s4e s ASN 13 N -2.11 5.16 -0.07 3.32 2.47 -1.26 -4.39 114.94 118.06 1s4e s ASN 13 Ca -0.06 -0.04 -0.23 0.00 0.42 0.00 0.00 52.86 52.96 1s4e s ASN 13 Cb -0.02 -1.86 -0.30 0.00 -1.45 0.00 0.00 41.25 37.62 1s4e s ASN 13 CO -0.05 0.17 0.84 0.25 -3.72 0.00 0.00 177.10 174.59 1s4e h LEU 14 N 6.68 0.38 -7.02 3.21 5.85 -1.97 -3.46 115.31 118.98 1s4e h LEU 14 Ca -0.34 -0.95 0.01 0.00 0.84 0.00 0.00 57.88 57.45 1s4e h LEU 14 Cb 1.18 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.96 1s4e h LEU 14 CO 0.66 1.34 0.28 -0.51 -0.34 0.00 0.00 178.44 179.88 1s4e s ILE 15 N -2.39 0.00 0.00 4.05 1.10 -1.26 -4.93 121.20 117.77 1s4e s ILE 15 Ca -0.15 -0.02 0.00 0.00 -0.51 0.00 0.00 60.65 59.96 1s4e s ILE 15 Cb 0.01 -1.03 0.00 0.00 0.15 0.00 0.00 42.46 41.59 1s4e s ILE 15 CO 0.80 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 174.24 1s4e n GLY 16 N -0.35 0.49 3.88 1.50 0.00 -1.26 -4.60 105.19 104.84 1s4e n GLY 16 Ca -0.15 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.68 3.74 -1.48 1.61 2.56 -1.26 -4.27 118.70 118.92 1s4e s GLU 17 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 54.97 55.06 1s4e s GLU 17 Cb 0.00 -2.84 0.04 0.00 2.00 0.00 0.00 34.13 33.33 1s4e s GLU 17 CO 0.00 0.45 0.58 0.72 -0.56 0.00 0.00 175.26 176.45 1s4e n HIS 18 N 0.32 -1.76 0.00 5.30 8.25 -1.26 -4.87 115.22 121.20 1s4e n HIS 18 Ca -0.03 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1s4e n HIS 18 Cb 0.52 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 27.98 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 -4.42 0.00 0.17 1.59 -1.04 -1.26 -4.81 114.28 104.50 1s4e n THR 19 Ca -0.19 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.87 1s4e n THR 19 Cb 0.63 -0.17 0.16 0.00 -1.82 0.00 0.00 70.33 69.12 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 -1.85 -2.12 116.42 120.61 1s4e h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1s4e h ASP 20 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1s4e h ASP 20 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 179.24 179.65 1s4e n TYR 21 N -3.30 0.00 -1.35 4.15 0.18 -1.26 -2.20 117.16 113.38 1s4e n TYR 21 Ca 0.01 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.87 1s4e n TYR 21 Cb 0.64 -0.10 0.13 0.00 -0.38 0.00 0.00 39.34 39.63 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 -1.10 1.66 -3.46 -3.48 -2.24 -1.15 -4.84 114.28 99.68 1s4e n THR 22 Ca 0.16 -2.17 -0.19 0.00 -2.27 0.00 0.00 64.05 59.58 1s4e n THR 22 Cb 0.12 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.12 -2.19 -2.66 4.78 4.02 -0.94 -0.62 117.16 118.44 1s4e n TYR 23 Ca 0.14 0.83 0.00 0.00 -0.01 0.00 0.00 57.90 58.87 1s4e n TYR 23 Cb 0.68 -4.41 0.00 0.00 -0.02 0.00 0.00 39.34 35.58 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 -1.33 5.79 3.87 2.72 0.00 -0.81 -3.77 105.19 111.66 1s4e n GLY 24 Ca -0.20 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.43 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 1.34 3.63 0.00 1.61 1.51 -1.26 -1.84 117.35 122.35 1s4e s TYR 25 Ca 0.00 0.71 0.00 0.00 -1.01 0.00 0.00 57.07 56.77 1s4e s TYR 25 Cb 0.00 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1s4e s TYR 25 CO 0.00 0.66 0.00 1.55 -1.11 0.00 0.00 175.55 176.65 1s4e n VAL 26 N 1.62 0.00 -0.27 0.71 3.14 -0.53 -4.45 118.33 118.56 1s4e n VAL 26 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 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 -4.20 1.45 -0.04 -1.21 -0.67 135.00 130.33 1s4e n PRO 28 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 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 3.19 0.30 0.55 0.00 -1.26 -1.50 121.76 122.04 1s4e s ALA 30 Ca 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 51.96 50.95 1s4e s ALA 30 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1s4e s ALA 30 CO 0.00 0.67 -0.16 0.96 0.00 0.00 0.00 175.76 177.24 1s4e s ILE 31 N -1.24 2.46 -0.79 0.00 -4.36 -0.95 -0.50 121.20 115.83 1s4e s ILE 31 Ca 0.23 -2.32 -0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1s4e s ILE 31 Cb -0.11 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1s4e s ILE 31 CO 0.15 -0.34 2.89 -0.90 0.24 0.00 0.00 174.94 176.99 1s4e n ASP 32 N -0.69 7.02 -3.61 4.36 5.75 -1.10 -3.97 116.55 124.31 1s4e n ASP 32 Ca -0.05 -2.92 -0.27 0.00 -0.01 0.00 0.00 54.79 51.54 1s4e n ASP 32 Cb 0.61 -1.37 -0.16 0.00 -1.03 0.00 0.00 41.12 39.17 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 -1.28 0.48 0.24 -2.12 1.43 -1.26 -4.94 118.68 111.23 1s4e s LEU 33 Ca 0.61 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1s4e s LEU 33 Cb 0.28 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 1s4e s LEU 33 CO -0.11 -0.37 0.01 -0.31 0.23 0.00 0.00 176.35 175.81 1s4e s TYR 34 N 2.10 2.77 -0.17 0.29 1.51 -1.26 -0.97 117.35 121.62 1s4e s TYR 34 Ca 0.03 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 1s4e s TYR 34 Cb -0.16 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 1s4e s TYR 34 CO -0.15 0.58 0.19 0.99 -1.11 0.00 0.00 175.55 176.04 1s4e s THR 35 N -2.15 5.38 -0.14 -0.71 2.01 0.10 -1.56 115.64 118.58 1s4e s THR 35 Ca 0.30 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1s4e s THR 35 Cb -0.07 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1s4e s THR 35 CO 0.20 0.46 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.82 1s4e s ILE 36 N 0.10 2.84 -0.16 1.82 1.01 -0.13 -0.83 121.20 125.85 1s4e s ILE 36 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1s4e s ILE 36 Cb -0.12 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1s4e s ILE 36 CO 0.01 0.52 -0.16 -0.63 0.00 0.00 0.00 174.94 174.68 1s4e s ILE 37 N 0.58 1.73 -0.19 2.92 1.01 0.41 -1.15 121.20 126.51 1s4e s ILE 37 Ca -0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1s4e s ILE 37 Cb -0.16 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1s4e s ILE 37 CO 0.03 0.48 -0.01 -0.89 0.00 0.00 0.00 174.94 174.55 1s4e s THR 38 N 1.40 3.88 -0.04 2.92 2.01 -0.85 -0.96 115.64 123.99 1s4e s THR 38 Ca 0.04 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 1s4e s THR 38 Cb -0.13 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.69 1s4e s THR 38 CO -0.11 0.45 0.49 0.00 -0.69 0.00 0.00 174.62 174.76 1s4e s ALA 39 N 0.86 -1.27 0.27 7.40 0.00 -0.84 -1.43 121.76 126.75 1s4e s ALA 39 Ca 0.00 0.85 0.11 0.00 0.00 0.00 0.00 51.96 52.92 1s4e s ALA 39 Cb -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1s4e s ALA 39 CO 0.02 -0.31 -0.11 -1.21 0.00 0.00 0.00 175.76 174.14 1s4e s GLU 40 N -1.20 1.96 0.47 0.00 8.01 -0.22 -1.97 118.70 125.76 1s4e s GLU 40 Ca -0.12 -1.59 -0.24 0.00 0.01 0.00 0.00 54.97 53.03 1s4e s GLU 40 Cb -0.03 -1.96 -0.07 0.00 -4.31 0.00 0.00 34.13 27.77 1s4e s GLU 40 CO 0.07 0.35 1.33 0.15 0.01 0.00 0.00 175.26 177.17 1s4e s LYS 41 N -3.53 3.58 -0.09 1.61 1.02 -1.26 -1.52 119.74 119.54 1s4e s LYS 41 Ca 0.30 2.18 -0.25 0.00 0.02 0.00 0.00 55.97 58.22 1s4e s LYS 41 Cb -0.06 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1s4e s LYS 41 CO 0.17 -0.82 0.58 -0.47 -0.92 0.00 0.00 175.35 173.89 1s4e s TYR 42 N -1.31 -0.56 0.17 3.18 5.04 -1.05 -4.60 117.35 118.23 1s4e s TYR 42 Ca 0.64 1.10 -0.15 0.00 -2.44 0.00 0.00 57.07 56.21 1s4e s TYR 42 Cb -0.39 0.29 0.14 0.00 0.35 0.00 0.00 41.96 42.35 1s4e s TYR 42 CO 0.48 -0.48 1.69 0.38 -1.34 0.00 0.00 175.55 176.28 1s4e h ASP 43 N 3.82 -0.19 -4.00 4.32 3.04 -1.95 -1.45 116.42 120.02 1s4e h ASP 43 Ca -0.28 0.10 -0.19 0.00 -3.24 0.00 0.00 57.03 53.43 1s4e h ASP 43 Cb 1.16 0.19 -0.02 0.00 -1.04 0.00 0.00 39.33 39.61 1s4e h ASP 43 CO 0.31 -0.06 -0.11 2.29 -2.04 0.00 0.00 179.24 179.63 1s4e n LYS 44 N -5.22 1.39 -4.05 4.15 -0.00 -1.26 -4.16 118.16 109.01 1s4e n LYS 44 Ca 0.04 -1.09 -0.34 0.00 -0.00 0.00 0.00 58.31 56.91 1s4e n LYS 44 Cb 0.23 0.19 -0.10 0.00 -0.00 0.00 0.00 35.03 35.35 1s4e n LYS 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s4e s VAL 45 N -1.12 4.62 -0.15 0.58 1.01 -0.52 -2.78 120.40 122.05 1s4e s VAL 45 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1s4e s VAL 45 Cb -0.00 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.35 1s4e s VAL 45 CO 0.04 0.46 0.08 -1.58 0.00 0.00 0.00 175.10 174.09 1s4e s GLN 46 N 0.45 0.10 -0.01 2.72 0.74 -0.46 -1.50 119.66 121.70 1s4e s GLN 46 Ca 0.02 -0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.45 1s4e s GLN 46 Cb -0.13 -1.60 -0.01 0.00 1.10 0.00 0.00 33.01 32.37 1s4e s GLN 46 CO 0.01 -0.60 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.49 1s4e s LEU 47 N 2.12 2.02 -0.17 3.68 1.43 -0.89 -1.74 118.68 125.12 1s4e s LEU 47 Ca 0.02 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1s4e s LEU 47 Cb -0.15 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 1s4e s LEU 47 CO -0.08 0.18 -0.12 -0.47 0.23 0.00 0.00 176.35 176.10 1s4e s TYR 48 N -0.33 2.84 -0.27 0.29 5.04 -0.80 -1.43 117.35 122.69 1s4e s TYR 48 Ca 0.05 -0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 53.59 1s4e s TYR 48 Cb -0.06 -1.95 -0.05 0.00 0.35 0.00 0.00 41.96 40.25 1s4e s TYR 48 CO -0.00 -0.47 0.18 0.45 -1.34 0.00 0.00 175.55 174.36 1s4e s SER 49 N 0.96 6.04 0.14 4.32 0.15 -0.60 -0.72 113.70 123.99 1s4e s SER 49 Ca -0.02 0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 1s4e s SER 49 Cb -0.15 -2.12 -0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1s4e s SER 49 CO -0.01 -0.02 1.56 -0.08 1.20 0.00 0.00 173.24 175.89 1s4e h GLU 50 N 8.17 0.84 -0.09 5.44 4.81 -1.67 -1.19 114.58 130.89 1s4e h GLU 50 Ca -0.36 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1s4e h GLU 50 Cb 1.19 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1s4e h GLU 50 CO 0.57 0.93 -0.48 1.25 -0.73 0.00 0.00 179.01 180.55 1s4e h HIS 51 N 0.68 -1.44 0.00 0.92 2.76 -1.94 -2.67 115.15 113.46 1s4e h HIS 51 Ca 0.12 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1s4e h HIS 51 Cb 0.60 0.64 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1s4e h HIS 51 CO 0.05 -0.50 -0.01 1.19 -1.30 0.00 0.00 177.93 177.36 1s4e n PHE 52 N -5.12 0.38 -3.85 5.26 3.01 -1.23 -4.96 117.46 110.96 1s4e n PHE 52 Ca -0.06 0.11 -0.25 0.00 1.01 0.00 0.00 57.45 58.26 1s4e n PHE 52 Cb 0.34 -0.68 0.01 0.00 -0.01 0.00 0.00 39.48 39.15 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 -1.81 -1.73 -4.06 4.37 5.03 -0.46 -5.02 115.26 111.58 1s4e n ASN 53 Ca 0.06 -0.88 -0.16 0.00 0.87 0.00 0.00 54.58 54.47 1s4e n ASN 53 Cb 0.38 -3.64 -0.13 0.00 -1.02 0.00 0.00 39.78 35.37 1s4e n ASN 53 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1s4e s GLU 54 N -6.33 0.63 -0.31 3.52 2.02 -1.18 -5.00 118.70 112.04 1s4e s GLU 54 Ca 0.18 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1s4e s GLU 54 Cb -0.09 -0.54 0.04 0.00 0.10 0.00 0.00 34.13 33.64 1s4e s GLU 54 CO 0.85 0.13 0.05 -2.00 0.02 0.00 0.00 175.26 174.31 1s4e s GLU 55 N -0.98 2.63 0.03 1.61 2.12 -1.26 -1.55 118.70 121.30 1s4e s GLU 55 Ca -0.03 -1.15 0.01 0.00 0.36 0.00 0.00 54.97 54.16 1s4e s GLU 55 Cb -0.07 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1s4e s GLU 55 CO 0.00 -0.60 0.07 0.15 -0.54 0.00 0.00 175.26 174.34 1s4e s LYS 56 N 1.36 2.94 0.28 4.30 3.01 -0.52 -4.95 119.74 126.16 1s4e s LYS 56 Ca -0.02 -0.60 0.07 0.00 -1.01 0.00 0.00 55.97 54.41 1s4e s LYS 56 Cb -0.19 -2.77 -0.06 0.00 -1.01 0.00 0.00 37.83 33.80 1s4e s LYS 56 CO 0.01 0.61 -0.07 0.95 0.51 0.00 0.00 175.35 177.35 1s4e s THR 57 N -1.27 1.74 -0.01 2.17 -4.23 -1.26 -2.09 115.64 110.69 1s4e s THR 57 Ca 0.25 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1s4e s THR 57 Cb -0.12 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1s4e s THR 57 CO 0.17 -0.31 0.71 0.72 -0.54 0.00 0.00 174.62 175.38 1s4e s PHE 58 N -2.95 -0.58 0.41 3.99 -0.12 -0.56 -5.01 117.98 113.16 1s4e s PHE 58 Ca 0.29 0.83 -0.22 0.00 -0.05 0.00 0.00 56.93 57.79 1s4e s PHE 58 Cb 0.03 0.46 -0.11 0.00 -0.63 0.00 0.00 43.02 42.77 1s4e s PHE 58 CO 0.12 -0.63 0.94 0.95 -0.05 0.00 0.00 175.22 176.56 1s4e s THR 59 N -1.89 4.37 -1.69 -4.49 -4.23 -1.26 -1.44 115.64 105.01 1s4e s THR 59 Ca -0.06 1.53 0.18 0.00 -1.18 0.00 0.00 61.69 62.15 1s4e s THR 59 Cb -0.00 -3.66 0.41 0.00 1.34 0.00 0.00 72.50 70.59 1s4e s THR 59 CO 0.03 -0.25 1.51 -0.11 -0.54 0.00 0.00 174.62 175.25 1s4e n LEU 60 N -0.47 0.00 -4.41 4.79 7.94 -1.26 -4.94 117.00 118.66 1s4e n LEU 60 Ca 0.06 0.15 -0.45 0.00 -1.11 0.00 0.00 56.01 54.67 1s4e n LEU 60 Cb 0.53 -0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.31 1s4e n LEU 60 CO 0.38 -0.06 0.80 1.51 -1.11 0.00 0.00 177.39 178.90 1s4e s ASP 61 N -2.31 6.70 0.00 1.96 1.47 -1.26 -5.06 116.67 118.18 1s4e s ASP 61 Ca 0.22 -2.33 0.00 0.00 1.18 0.00 0.00 52.55 51.62 1s4e s ASP 61 Cb 0.12 -2.33 0.00 0.00 -0.34 0.00 0.00 42.92 40.37 1s4e s ASP 61 CO 0.24 -0.87 0.00 0.41 0.68 0.00 0.00 175.17 175.63 1s4e n THR 64 N 4.89 0.00 -1.87 2.11 -1.04 -1.26 -5.23 114.28 111.88 1s4e n THR 64 Ca 0.21 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.80 1s4e n THR 64 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 1s4e n THR 64 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1s4e s LYS 65 N -4.15 4.18 0.00 -2.82 0.00 -1.26 -4.90 119.74 110.79 1s4e s LYS 65 Ca 0.00 2.45 0.24 0.00 0.00 0.00 0.00 55.97 58.66 1s4e s LYS 65 Cb 0.00 -3.10 0.33 0.00 0.00 0.00 0.00 37.83 35.05 1s4e s LYS 65 CO 0.00 -0.62 1.30 0.39 0.00 0.00 0.00 175.35 176.42 1s4e n GLU 66 N 3.38 0.93 -2.70 1.78 1.02 -1.26 -4.99 120.64 118.80 1s4e n GLU 66 Ca 0.12 -0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 56.49 1s4e n GLU 66 Cb 0.38 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.39 0.03 1.13 0.62 0.00 -1.26 -5.06 105.19 102.04 1s4e n GLY 67 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.09 -0.59 0.27 1.61 3.41 -1.26 -5.06 113.62 109.91 1s4e n SER 68 Ca -0.14 -1.36 0.15 0.00 -0.26 0.00 0.00 58.87 57.26 1s4e n SER 68 Cb 0.58 0.97 0.74 0.00 -0.26 0.00 0.00 64.21 66.24 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 1.29 0.00 0.00 7.33 5.08 -2.04 -1.96 115.95 125.66 1s4e h TRP 69 Ca -0.09 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.88 1s4e h TRP 69 Cb 0.36 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1s4e h TRP 69 CO 0.00 0.09 -0.02 0.97 -1.28 0.00 0.00 178.44 178.20 1s4e h ILE 70 N 0.00 0.08 -0.75 0.12 6.09 -2.00 -2.58 117.51 118.47 1s4e h ILE 70 Ca -0.00 -0.35 0.10 0.00 -1.37 0.00 0.00 64.86 63.24 1s4e h ILE 70 Cb 0.42 1.32 -0.05 0.00 0.47 0.00 0.00 36.82 38.98 1s4e h ILE 70 CO 0.01 0.02 0.49 0.44 -3.07 0.00 0.00 178.15 176.04 1s4e h ASP 71 N 0.00 0.57 -0.56 2.19 3.32 -1.74 0.35 116.42 120.54 1s4e h ASP 71 Ca -0.00 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1s4e h ASP 71 Cb 0.32 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1s4e h ASP 71 CO 0.00 0.33 0.20 1.88 -1.72 0.00 0.00 179.24 179.94 1s4e h TYR 72 N 0.63 0.89 -0.08 4.55 -1.99 -1.66 -0.78 116.97 118.52 1s4e h TYR 72 Ca 0.35 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.96 1s4e h TYR 72 Cb 0.51 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 1s4e h TYR 72 CO -0.00 0.73 -0.12 0.28 -0.00 0.00 0.00 178.16 179.05 1s4e h VAL 73 N 0.78 1.39 -0.95 -2.88 2.07 -1.27 -3.20 116.25 112.19 1s4e h VAL 73 Ca 0.19 -1.36 0.17 0.00 0.82 0.00 0.00 66.70 66.52 1s4e h VAL 73 Cb 0.24 2.09 -0.10 0.00 -1.52 0.00 0.00 31.29 32.00 1s4e h VAL 73 CO -0.01 0.38 0.55 0.11 0.02 0.00 0.00 177.57 178.62 1s4e h LYS 74 N -0.22 0.71 -0.44 1.57 1.57 -0.30 -2.49 116.57 116.97 1s4e h LYS 74 Ca 0.01 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1s4e h LYS 74 Cb 0.67 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1s4e h LYS 74 CO 0.03 0.47 -0.23 0.78 -0.57 0.00 0.00 179.45 179.93 1s4e h GLY 75 N 0.73 0.98 0.99 3.86 0.00 -1.16 -0.54 103.07 107.92 1s4e h GLY 75 Ca 0.53 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1s4e h GLY 75 CO -0.37 0.78 0.14 -2.08 0.00 0.00 0.00 176.54 175.01 1s4e h VAL 76 N 0.78 1.24 -0.37 4.60 2.07 -1.45 0.17 116.25 123.29 1s4e h VAL 76 Ca 0.10 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1s4e h VAL 76 Cb 0.78 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1s4e h VAL 76 CO 0.06 0.31 -0.06 -0.07 0.02 0.00 0.00 177.57 177.84 1s4e h LEU 77 N 0.77 0.59 -0.46 2.57 4.07 -1.28 -2.50 115.31 119.06 1s4e h LEU 77 Ca 0.17 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 1s4e h LEU 77 Cb 0.32 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1s4e h LEU 77 CO -0.00 0.70 -0.07 -0.25 -1.08 0.00 0.00 178.44 177.74 1s4e h TRP 78 N 0.58 0.96 -0.00 1.13 7.01 -0.27 -2.28 115.95 123.08 1s4e h TRP 78 Ca 0.11 -0.19 -0.16 0.00 2.11 0.00 0.00 58.89 60.76 1s4e h TRP 78 Cb 0.45 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1s4e h TRP 78 CO 0.02 0.94 -0.76 -0.24 -2.79 0.00 0.00 178.44 175.61 1s4e h VAL 79 N 0.71 1.54 0.00 2.65 3.04 -0.54 -1.25 116.25 122.40 1s4e h VAL 79 Ca 0.12 -2.59 -0.25 0.00 -1.01 0.00 0.00 66.70 62.98 1s4e h VAL 79 Cb 0.60 2.40 0.01 0.00 -2.01 0.00 0.00 31.29 32.29 1s4e h VAL 79 CO 0.04 0.74 -1.00 -0.07 -1.01 0.00 0.00 177.57 176.27 1s4e h LEU 80 N 0.01 0.74 -0.66 3.16 3.38 -1.43 -2.96 115.31 117.55 1s4e h LEU 80 Ca -0.01 -0.60 -0.11 0.00 0.09 0.00 0.00 57.88 57.26 1s4e h LEU 80 Cb 1.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1s4e h LEU 80 CO 0.10 1.40 -0.12 0.40 0.09 0.00 0.00 178.44 180.31 1s4e h ILE 81 N 0.32 1.26 -0.34 1.22 2.04 -1.34 -2.42 117.51 118.24 1s4e h ILE 81 Ca -0.11 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1s4e h ILE 81 Cb 1.65 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1s4e h ILE 81 CO 0.19 0.43 -0.01 1.56 0.00 0.00 0.00 178.15 180.32 1s4e h GLN 82 N 0.82 0.54 -0.35 2.37 1.08 -1.23 -2.95 115.11 115.40 1s4e h GLN 82 Ca 0.13 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1s4e h GLN 82 Cb 0.65 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1s4e h GLN 82 CO 0.05 0.58 -0.09 0.93 -0.95 0.00 0.00 178.83 179.34 1s4e h GLU 83 N 0.52 0.68 0.00 1.46 4.39 -1.46 -3.48 114.58 116.69 1s4e h GLU 83 Ca 0.11 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1s4e h GLU 83 Cb 0.35 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1s4e h GLU 83 CO 0.01 0.85 0.00 0.41 -1.16 0.00 0.00 179.01 179.12 1s4e n GLY 84 N -0.16 -0.73 3.77 -3.84 0.00 -1.11 -5.14 105.19 97.97 1s4e n GLY 84 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.26 3.00 -0.47 1.61 1.51 -0.92 -4.99 117.35 116.83 1s4e s TYR 85 Ca 0.00 1.53 -0.23 0.00 -1.01 0.00 0.00 57.07 57.35 1s4e s TYR 85 Cb 0.00 -3.45 0.03 0.00 -0.11 0.00 0.00 41.96 38.43 1s4e s TYR 85 CO 0.00 -1.49 0.80 0.15 -1.11 0.00 0.00 175.55 173.91 1s4e s LYS 86 N -2.31 3.38 0.33 -0.62 3.01 -1.26 -4.57 119.74 117.70 1s4e s LYS 86 Ca 0.57 -0.18 0.03 0.00 -1.01 0.00 0.00 55.97 55.39 1s4e s LYS 86 Cb -0.32 -3.97 -0.05 0.00 -1.01 0.00 0.00 37.83 32.48 1s4e s LYS 86 CO 0.40 -1.19 0.09 0.96 0.51 0.00 0.00 175.35 176.12 1s4e s ILE 87 N 3.37 0.90 0.00 2.17 -4.36 -1.26 -4.95 121.20 117.06 1s4e s ILE 87 Ca 0.29 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1s4e s ILE 87 Cb -0.13 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1s4e s ILE 87 CO 0.21 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.00 1s4e n GLY 88 N -0.70 5.25 0.00 6.27 0.00 -1.26 -5.15 105.19 109.60 1s4e n GLY 88 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 3.27 2.81 3.34 -0.02 0.00 -0.55 -5.00 105.19 109.05 1s4e n GLY 89 Ca 0.00 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 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 0.31 -0.07 0.99 0.05 -1.12 -2.52 118.68 116.32 1s4e s LEU 90 Ca 0.00 0.61 0.04 0.00 0.05 0.00 0.00 54.13 54.83 1s4e s LEU 90 Cb 0.00 1.62 -0.02 0.00 -2.05 0.00 0.00 46.19 45.75 1s4e s LEU 90 CO 0.00 -0.33 -0.19 -0.54 -0.55 0.00 0.00 176.35 174.74 1s4e s LYS 91 N -0.51 2.73 0.00 1.48 -0.14 -0.57 -1.36 119.74 121.37 1s4e s LYS 91 Ca -0.06 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1s4e s LYS 91 Cb -0.03 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1s4e s LYS 91 CO 0.03 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 1s4e n GLY 92 N 2.90 -0.53 3.06 -3.33 0.00 -0.71 -1.06 105.19 105.53 1s4e n GLY 92 Ca -0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1s4e n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4e s LYS 93 N -1.01 0.54 -0.38 1.61 -2.85 -0.52 -1.91 119.74 115.23 1s4e s LYS 93 Ca 0.00 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 54.08 1s4e s LYS 93 Cb 0.00 -0.06 0.11 0.00 -2.06 0.00 0.00 37.83 35.81 1s4e s LYS 93 CO 0.00 -0.02 0.12 0.42 0.10 0.00 0.00 175.35 175.96 1s4e s ILE 94 N -2.30 2.59 0.43 3.79 1.01 0.10 -2.01 121.20 124.80 1s4e s ILE 94 Ca -0.04 -2.39 0.06 0.00 0.00 0.00 0.00 60.65 58.28 1s4e s ILE 94 Cb -0.04 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.64 1s4e s ILE 94 CO -0.03 -0.65 0.52 0.35 0.00 0.00 0.00 174.94 175.13 1s4e n THR 95 N 4.21 0.00 0.00 2.92 -2.24 -0.30 -1.78 114.28 117.08 1s4e n THR 95 Ca 0.03 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1s4e n THR 95 Cb 0.41 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.19 3.31 0.10 3.38 0.00 -1.26 -0.95 105.19 109.58 1s4e n GLY 96 Ca 0.09 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -3.43 1.61 3.32 -1.64 -3.49 116.42 112.79 1s4e h ASP 97 Ca 0.00 -0.12 -0.59 0.00 0.02 0.00 0.00 57.03 56.34 1s4e h ASP 97 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1s4e h ASP 97 CO 0.00 0.06 -0.05 -0.22 -1.72 0.00 0.00 179.24 177.31 1s4e s LEU 98 N -4.67 4.18 0.41 1.55 2.96 -0.99 -4.77 118.68 117.36 1s4e s LEU 98 Ca 0.06 0.72 -0.25 0.00 -0.22 0.00 0.00 54.13 54.44 1s4e s LEU 98 Cb 0.12 -2.72 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1s4e s LEU 98 CO 0.71 -0.14 1.28 -2.84 -1.32 0.00 0.00 176.35 174.03 1s4e s PRO 99 N 1.40 3.93 -0.13 0.98 0.02 -1.26 -4.97 135.00 134.97 1s4e s PRO 99 Ca 0.25 2.09 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 1s4e s PRO 99 Cb -0.15 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 1s4e s PRO 99 CO 0.10 -0.50 0.15 -0.51 -0.33 0.00 0.00 177.00 175.91 1s4e s LEU 100 N -2.53 4.37 -0.86 -5.54 1.02 -1.26 -4.35 118.68 109.53 1s4e s LEU 100 Ca 0.58 0.46 0.00 0.00 0.02 0.00 0.00 54.13 55.19 1s4e s LEU 100 Cb -0.36 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 43.74 1s4e s LEU 100 CO 0.46 0.37 0.00 0.61 0.02 0.00 0.00 176.35 177.81 1s4e n GLY 101 N 2.22 0.94 0.98 -3.19 0.00 -1.26 -4.88 105.19 100.00 1s4e n GLY 101 Ca -0.19 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 1.15 2.36 -1.51 4.61 0.00 -1.26 -4.85 120.51 121.01 1s4e n ALA 102 Ca -0.08 -1.05 -0.03 0.00 0.00 0.00 0.00 53.44 52.28 1s4e n ALA 102 Cb 0.38 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 1.18 0.46 1.29 0.00 0.00 -1.26 -2.90 105.19 103.96 1s4e n GLY 103 Ca 0.17 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.39 4.62 -3.65 0.99 4.77 -1.26 -4.73 117.00 117.35 1s4e n LEU 104 Ca -0.03 -2.97 -0.24 0.00 -0.03 0.00 0.00 56.01 52.73 1s4e n LEU 104 Cb 0.28 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1s4e n LEU 104 CO 0.04 0.66 -0.07 -0.24 -1.33 0.00 0.00 177.39 176.45 1s4e n SER 105 N -0.04 -3.13 -0.26 -1.43 2.88 -1.26 -1.02 113.62 109.36 1s4e n SER 105 Ca 0.24 -0.88 0.25 0.00 -1.33 0.00 0.00 58.87 57.15 1s4e n SER 105 Cb 1.01 -3.92 0.61 0.00 -0.75 0.00 0.00 64.21 61.16 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 -1.76 0.23 0.47 -3.46 4.64 -1.95 -1.31 113.55 110.40 1s4e h SER 106 Ca -0.63 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1s4e h SER 106 Cb 1.35 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 1s4e h SER 106 CO 0.53 0.07 -0.40 0.77 -0.87 0.00 0.00 176.83 176.92 1s4e h SER 107 N 0.22 -1.08 -0.48 4.97 4.64 -1.94 0.32 113.55 120.20 1s4e h SER 107 Ca 0.50 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.82 1s4e h SER 107 Cb 1.59 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 64.01 1s4e h SER 107 CO -0.13 -0.57 -0.03 0.00 -0.87 0.00 0.00 176.83 175.23 1s4e h ALA 108 N -0.54 0.65 -0.90 5.18 0.00 -1.89 -0.92 119.26 120.84 1s4e h ALA 108 Ca -0.05 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1s4e h ALA 108 Cb 0.76 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1s4e h ALA 108 CO -0.03 0.48 0.54 1.03 0.00 0.00 0.00 179.25 181.28 1s4e h SER 109 N 0.72 0.79 -0.01 0.00 0.87 -0.98 -0.46 113.55 114.48 1s4e h SER 109 Ca 0.13 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1s4e h SER 109 Cb 0.55 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1s4e h SER 109 CO 0.03 0.43 -0.10 0.15 -0.53 0.00 0.00 176.83 176.81 1s4e h PHE 110 N 0.88 0.12 0.15 2.24 -0.00 -0.14 -1.52 116.94 118.67 1s4e h PHE 110 Ca 0.44 -0.06 0.01 0.00 -0.00 0.00 0.00 57.97 58.37 1s4e h PHE 110 Cb 0.41 -0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 36.32 1s4e h PHE 110 CO -0.04 0.79 -0.26 0.93 -0.00 0.00 0.00 178.31 179.73 1s4e h GLU 111 N -0.58 -0.47 0.00 1.11 5.08 -0.96 0.07 114.58 118.82 1s4e h GLU 111 Ca -0.01 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1s4e h GLU 111 Cb 0.81 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1s4e h GLU 111 CO 0.02 -0.32 -0.57 -0.39 -1.00 0.00 0.00 179.01 176.76 1s4e h VAL 112 N -0.49 1.14 -0.44 3.13 -1.51 -1.19 0.30 116.25 117.20 1s4e h VAL 112 Ca 0.02 -2.15 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 1s4e h VAL 112 Cb 0.50 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 1s4e h VAL 112 CO -0.13 0.56 0.28 1.23 -1.23 0.00 0.00 177.57 178.28 1s4e h GLY 113 N 2.53 0.62 1.37 5.19 0.00 -0.93 0.25 103.07 112.10 1s4e h GLY 113 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1s4e h GLY 113 CO 0.07 0.23 -0.33 -2.22 0.00 0.00 0.00 176.54 174.29 1s4e h ILE 114 N 0.59 1.28 -0.27 2.60 1.08 -0.77 -1.63 117.51 120.39 1s4e h ILE 114 Ca 0.16 -1.48 -0.11 0.00 -0.39 0.00 0.00 64.86 63.04 1s4e h ILE 114 Cb -0.06 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1s4e h ILE 114 CO -0.03 0.48 -0.31 0.25 -0.69 0.00 0.00 178.15 177.85 1s4e h LEU 115 N 0.60 0.56 -0.55 1.44 6.46 -0.72 -2.48 115.31 120.63 1s4e h LEU 115 Ca 0.06 -0.22 -0.14 0.00 -0.12 0.00 0.00 57.88 57.47 1s4e h LEU 115 Cb 0.85 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1s4e h LEU 115 CO 0.07 0.84 -0.38 -0.08 -0.62 0.00 0.00 178.44 178.28 1s4e h GLU 116 N 0.47 0.75 -0.17 1.25 4.57 -0.33 0.17 114.58 121.30 1s4e h GLU 116 Ca 0.06 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1s4e h GLU 116 Cb 0.77 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1s4e h GLU 116 CO 0.06 1.00 0.10 0.28 -1.18 0.00 0.00 179.01 179.27 1s4e h VAL 117 N 0.62 1.02 -0.34 0.32 2.07 -1.14 -1.22 116.25 117.58 1s4e h VAL 117 Ca 0.06 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1s4e h VAL 117 Cb 0.92 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1s4e h VAL 117 CO 0.08 0.04 -0.35 -0.07 0.02 0.00 0.00 177.57 177.29 1s4e h LEU 118 N 0.20 0.83 -1.16 2.57 3.38 -1.28 0.74 115.31 120.58 1s4e h LEU 118 Ca 0.06 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.80 1s4e h LEU 118 Cb -0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 1s4e h LEU 118 CO -0.03 1.09 0.59 -1.13 0.09 0.00 0.00 178.44 179.06 1s4e h ASN 119 N 0.65 0.80 0.00 -0.43 -1.24 -0.73 -1.08 115.58 113.55 1s4e h ASN 119 Ca 0.06 0.04 -0.13 0.00 0.71 0.00 0.00 56.30 56.99 1s4e h ASN 119 Cb 0.90 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.80 1s4e h ASN 119 CO 0.08 0.43 -0.71 -0.61 -1.29 0.00 0.00 177.43 175.34 1s4e h GLN 120 N 0.86 0.00 -0.65 6.67 5.75 -0.52 -1.64 115.11 125.59 1s4e h GLN 120 Ca 0.45 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 59.03 1s4e h GLN 120 Cb 0.54 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.05 1s4e h GLN 120 CO -0.22 0.93 0.43 -0.07 -2.65 0.00 0.00 178.83 177.25 1s4e h LEU 121 N -1.00 0.50 -2.82 -2.39 3.38 -0.86 -2.85 115.31 109.27 1s4e h LEU 121 Ca -0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1s4e h LEU 121 Cb 1.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1s4e h LEU 121 CO -0.11 0.31 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 1s4e n TYR 122 N -4.48 0.53 -3.71 1.13 4.02 -0.41 -5.00 117.16 109.24 1s4e n TYR 122 Ca 0.10 -0.48 -0.22 0.00 -0.01 0.00 0.00 57.90 57.29 1s4e n TYR 122 Cb 0.30 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.71 -1.23 0.10 7.72 3.02 -0.97 -4.90 115.26 119.71 1s4e n ASN 123 Ca 0.14 -0.84 -0.17 0.00 -0.03 0.00 0.00 54.58 53.68 1s4e n ASN 123 Cb 0.46 -3.98 -0.14 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.86 0.45 -0.24 3.41 3.38 -1.57 -3.48 115.31 115.39 1s4e h LEU 124 Ca -0.61 -0.50 -0.41 0.00 0.09 0.00 0.00 57.88 56.45 1s4e h LEU 124 Cb 1.36 -0.15 0.08 0.00 0.09 0.00 0.00 40.66 42.05 1s4e h LEU 124 CO 0.57 1.40 -0.66 -3.20 0.09 0.00 0.00 178.44 176.63 1s4e n ASN 125 N -3.53 -6.03 -4.74 -0.43 5.15 -1.25 -4.95 115.26 99.48 1s4e n ASN 125 Ca -0.10 -0.49 -0.42 0.00 -0.60 0.00 0.00 54.58 52.97 1s4e n ASN 125 Cb 1.03 -4.80 -0.02 0.00 -0.53 0.00 0.00 39.78 35.46 1s4e n ASN 125 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1s4e s ILE 126 N -3.26 2.29 0.58 -1.44 1.01 -1.26 -4.96 121.20 114.16 1s4e s ILE 126 Ca 0.51 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 1s4e s ILE 126 Cb -0.23 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1s4e s ILE 126 CO 0.62 0.03 1.22 1.51 0.00 0.00 0.00 174.94 178.33 1s4e s ASP 127 N 0.76 5.22 0.16 3.58 1.47 -1.26 -4.74 116.67 121.86 1s4e s ASP 127 Ca 0.67 2.43 -0.17 0.00 1.18 0.00 0.00 52.55 56.66 1s4e s ASP 127 Cb -0.46 -2.60 0.07 0.00 -0.34 0.00 0.00 42.92 39.58 1s4e s ASP 127 CO 0.40 -1.58 1.71 -0.65 0.68 0.00 0.00 175.17 175.73 1s4e h PRO 128 N 0.99 0.13 0.00 2.11 0.11 -2.00 -1.26 132.00 132.07 1s4e h PRO 128 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1s4e h PRO 128 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1s4e h PRO 128 CO 0.55 0.08 0.00 1.25 -0.21 0.00 0.00 178.00 179.68 1s4e h LEU 129 N 0.13 0.00 -0.28 2.35 6.46 -2.00 -2.23 115.31 119.74 1s4e h LEU 129 Ca 0.17 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.76 1s4e h LEU 129 Cb 0.22 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1s4e h LEU 129 CO -0.26 0.00 -0.49 0.50 -0.62 0.00 0.00 178.44 177.57 1s4e h LYS 130 N 0.00 0.83 -0.61 1.25 3.64 -1.64 -2.36 116.57 117.68 1s4e h LYS 130 Ca 0.00 -0.52 0.12 0.00 -1.27 0.00 0.00 60.65 58.98 1s4e h LYS 130 Cb 0.77 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.56 1s4e h LYS 130 CO 0.00 1.15 0.11 0.87 -2.27 0.00 0.00 179.45 179.31 1s4e h LYS 131 N 0.60 0.23 -0.13 1.90 1.57 -0.69 -0.40 116.57 119.65 1s4e h LYS 131 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s4e h LYS 131 Cb 1.10 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1s4e h LYS 131 CO 0.11 0.15 -0.05 0.00 -0.57 0.00 0.00 179.45 179.09 1s4e h ALA 132 N 1.49 0.19 -0.80 3.86 0.00 -1.42 -0.58 119.26 122.01 1s4e h ALA 132 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s4e h ALA 132 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1s4e h ALA 132 CO -0.42 -0.04 0.48 -0.07 0.00 0.00 0.00 179.25 179.20 1s4e h LEU 133 N -0.06 0.95 -0.40 0.00 3.38 -1.16 -1.53 115.31 116.49 1s4e h LEU 133 Ca 0.03 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1s4e h LEU 133 Cb 0.50 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1s4e h LEU 133 CO 0.02 0.73 0.11 -0.07 0.09 0.00 0.00 178.44 179.32 1s4e h LEU 134 N 1.10 0.60 -0.77 1.67 3.38 -0.87 -1.21 115.31 119.21 1s4e h LEU 134 Ca 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s4e h LEU 134 Cb -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1s4e h LEU 134 CO -0.05 0.66 0.49 0.00 0.09 0.00 0.00 178.44 179.63 1s4e h ALA 135 N 0.96 0.98 -0.72 1.53 0.00 -0.41 -0.38 119.26 121.22 1s4e h ALA 135 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1s4e h ALA 135 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1s4e h ALA 135 CO -0.00 0.41 0.38 -0.22 0.00 0.00 0.00 179.25 179.82 1s4e h LYS 136 N 1.05 1.01 -0.08 0.00 3.64 -1.24 -1.13 116.57 119.81 1s4e h LYS 136 Ca 0.28 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1s4e h LYS 136 Cb -0.09 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1s4e h LYS 136 CO -0.06 0.76 0.01 -0.22 -2.27 0.00 0.00 179.45 177.67 1s4e h LYS 137 N 1.01 0.14 -0.65 1.90 3.64 -0.16 0.59 116.57 123.03 1s4e h LYS 137 Ca 0.25 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1s4e h LYS 137 Cb 0.05 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.75 1s4e h LYS 137 CO -0.04 0.36 -0.46 0.00 -2.27 0.00 0.00 179.45 177.04 1s4e h ALA 138 N 0.77 -0.35 -0.45 5.00 0.00 -0.99 -0.38 119.26 122.86 1s4e h ALA 138 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1s4e h ALA 138 Cb 0.29 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s4e h ALA 138 CO 0.00 -0.84 0.15 1.49 0.00 0.00 0.00 179.25 180.05 1s4e h GLU 139 N -0.19 0.69 -0.18 0.00 4.81 -0.92 -1.71 114.58 117.07 1s4e h GLU 139 Ca 0.18 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1s4e h GLU 139 Cb 0.55 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1s4e h GLU 139 CO -0.74 0.66 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.16 1s4e h ASN 140 N 0.58 0.42 0.00 1.04 -0.26 -0.71 -2.35 115.58 114.30 1s4e h ASN 140 Ca 0.14 -0.45 -0.26 0.00 -0.56 0.00 0.00 56.30 55.18 1s4e h ASN 140 Cb 0.25 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 1s4e h ASN 140 CO -0.01 0.78 -2.25 -0.62 -1.06 0.00 0.00 177.43 174.27 1s4e n GLU 141 N -4.55 0.72 0.00 0.81 1.02 -0.17 -3.96 120.64 114.52 1s4e n GLU 141 Ca -0.05 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1s4e n GLU 141 Cb 0.35 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.59 0.00 -1.75 -0.32 7.35 -0.65 -4.79 117.46 114.71 1s4e n PHE 142 Ca -0.24 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.06 1s4e n PHE 142 Cb 0.97 -0.08 0.03 0.00 0.35 0.00 0.00 39.48 40.75 1s4e n PHE 142 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1s4e n VAL 143 N -1.90 3.44 -0.15 -2.13 0.31 -1.19 -4.93 118.33 111.78 1s4e n VAL 143 Ca 0.00 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 1s4e n VAL 143 Cb 0.00 -1.75 0.04 0.00 -0.91 0.00 0.00 33.84 31.23 1s4e n VAL 143 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s4e n GLY 144 N 0.68 3.10 3.64 2.92 0.00 -1.26 -4.12 105.19 110.15 1s4e n GLY 144 Ca 0.08 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.21 5.34 -0.00 1.61 1.01 -0.89 -4.98 120.40 121.28 1s4e s VAL 145 Ca 0.18 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 1s4e s VAL 145 Cb 0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1s4e s VAL 145 CO 0.02 0.32 0.90 -2.16 0.00 0.00 0.00 175.10 174.17 1s4e s PRO 146 N 1.26 4.54 -0.28 2.72 0.04 -1.26 -3.28 135.00 138.74 1s4e s PRO 146 Ca 0.08 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 1s4e s PRO 146 Cb -0.14 -3.44 0.11 0.00 0.04 0.00 0.00 34.50 31.07 1s4e s PRO 146 CO 0.06 0.03 0.87 0.00 0.04 0.00 0.00 177.00 178.00 1s4e n GLY 148 N 3.63 -2.84 0.20 0.00 0.00 -1.26 -4.95 105.19 99.97 1s4e n GLY 148 Ca -0.18 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.78 0.00 -0.89 -0.61 6.09 -1.98 -3.38 117.51 114.97 1s4e h ILE 149 Ca -0.04 -0.72 0.13 0.00 -1.37 0.00 0.00 64.86 62.86 1s4e h ILE 149 Cb 0.13 1.70 -0.14 0.00 0.47 0.00 0.00 36.82 38.97 1s4e h ILE 149 CO 0.03 0.00 -0.40 0.25 -3.07 0.00 0.00 178.15 174.95 1s4e h LEU 150 N 0.00 -1.46 0.82 2.19 7.12 -1.94 -1.10 115.31 120.93 1s4e h LEU 150 Ca 0.00 0.29 -0.04 0.00 0.13 0.00 0.00 57.88 58.26 1s4e h LEU 150 Cb 0.80 0.74 0.01 0.00 -0.53 0.00 0.00 40.66 41.67 1s4e h LEU 150 CO 0.00 -0.29 -0.40 0.44 -0.13 0.00 0.00 178.44 178.06 1s4e h ASP 151 N -0.05 -0.94 0.10 1.25 3.32 -1.98 -2.27 116.42 115.86 1s4e h ASP 151 Ca 0.30 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1s4e h ASP 151 Cb 0.57 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1s4e h ASP 151 CO -0.91 -0.61 -0.21 1.56 -1.72 0.00 0.00 179.24 177.36 1s4e h GLN 152 N -1.22 0.21 0.10 3.56 7.50 -1.81 -2.79 115.11 120.65 1s4e h GLN 152 Ca -0.11 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 1s4e h GLN 152 Cb 0.86 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.37 1s4e h GLN 152 CO 0.19 0.42 -0.05 0.35 -1.50 0.00 0.00 178.83 178.24 1s4e h PHE 153 N 0.19 -0.12 -0.74 2.96 3.57 -1.13 -2.01 116.94 119.66 1s4e h PHE 153 Ca 0.03 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1s4e h PHE 153 Cb 0.49 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1s4e h PHE 153 CO 0.01 0.29 0.49 0.00 -2.23 0.00 0.00 178.31 176.86 1s4e h ALA 154 N 0.27 2.01 -0.02 2.41 0.00 -1.31 -0.34 119.26 122.29 1s4e h ALA 154 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1s4e h ALA 154 Cb 0.46 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1s4e h ALA 154 CO 0.02 -0.20 -0.29 0.28 0.00 0.00 0.00 179.25 179.06 1s4e h VAL 155 N 0.49 1.50 -0.50 0.00 2.07 -1.38 -2.37 116.25 116.07 1s4e h VAL 155 Ca 0.36 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1s4e h VAL 155 Cb 0.71 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1s4e h VAL 155 CO -0.12 0.52 0.27 0.58 0.02 0.00 0.00 177.57 178.85 1s4e h VAL 156 N -0.39 1.17 -0.26 2.57 2.07 -1.15 -1.55 116.25 118.71 1s4e h VAL 156 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1s4e h VAL 156 Cb 1.01 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1s4e h VAL 156 CO 0.06 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.32 1s4e n PHE 157 N -4.65 0.32 -1.72 1.57 3.01 -0.16 -4.07 117.46 111.76 1s4e n PHE 157 Ca 0.02 -0.18 -0.40 0.00 1.01 0.00 0.00 57.45 57.91 1s4e n PHE 157 Cb 0.08 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 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 1.30 0.66 3.12 1.37 0.00 -0.90 -4.75 105.19 106.00 1s4e n GLY 158 Ca 0.16 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.57 1.51 0.00 1.61 2.20 -1.03 -1.09 119.74 120.36 1s4e s LYS 159 Ca 0.66 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1s4e s LYS 159 Cb -0.45 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1s4e s LYS 159 CO 0.53 0.27 0.53 1.17 -0.36 0.00 0.00 175.35 177.49 1s4e n LYS 160 N 3.00 0.00 -1.96 4.03 0.00 -1.26 -1.12 118.16 120.85 1s4e n LYS 160 Ca -0.17 0.53 -0.36 0.00 0.00 0.00 0.00 58.31 58.31 1s4e n LYS 160 Cb 0.54 -0.80 0.04 0.00 0.00 0.00 0.00 35.03 34.80 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 -2.42 6.81 -3.98 3.14 8.00 -1.26 -2.38 116.55 124.47 1s4e n ASP 161 Ca 0.00 -3.80 -0.08 0.00 0.71 0.00 0.00 54.79 51.61 1s4e n ASP 161 Cb 0.00 -0.88 -0.09 0.00 -0.02 0.00 0.00 41.12 40.12 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 -1.86 0.28 0.21 -2.24 0.01 -0.28 -0.19 114.94 110.86 1s4e s ASN 162 Ca 0.53 -0.71 0.11 0.00 -0.71 0.00 0.00 52.86 52.09 1s4e s ASN 162 Cb 0.44 0.22 -0.04 0.00 0.41 0.00 0.00 41.25 42.28 1s4e s ASN 162 CO -0.28 -0.55 -0.22 0.68 -1.51 0.00 0.00 177.10 175.21 1s4e s VAL 163 N -3.13 2.43 -0.36 1.60 -7.23 -0.71 -4.54 120.40 108.45 1s4e s VAL 163 Ca -0.00 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1s4e s VAL 163 Cb 0.02 -2.19 0.09 0.00 0.56 0.00 0.00 36.38 34.87 1s4e s VAL 163 CO -0.07 -0.16 0.11 -0.63 -0.31 0.00 0.00 175.10 174.04 1s4e s ILE 164 N -1.80 2.95 0.25 -0.62 1.01 -0.56 -1.05 121.20 121.37 1s4e s ILE 164 Ca 0.22 -1.96 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 1s4e s ILE 164 Cb -0.08 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 1s4e s ILE 164 CO 0.11 -0.52 1.50 0.12 0.00 0.00 0.00 174.94 176.15 1s4e s PHE 165 N 1.11 2.96 -0.05 3.97 5.36 -0.75 -3.32 117.98 127.26 1s4e s PHE 165 Ca 0.05 0.89 -0.02 0.00 -0.96 0.00 0.00 56.93 56.90 1s4e s PHE 165 Cb -0.21 -3.90 0.03 0.00 -0.34 0.00 0.00 43.02 38.60 1s4e s PHE 165 CO -0.04 -3.03 0.08 -1.17 -1.46 0.00 0.00 175.22 169.60 1s4e s LEU 166 N -0.15 0.32 -0.42 6.12 0.20 0.15 -1.05 118.68 123.86 1s4e s LEU 166 Ca 0.62 0.15 -0.29 0.00 0.69 0.00 0.00 54.13 55.30 1s4e s LEU 166 Cb -0.44 0.01 0.02 0.00 -0.43 0.00 0.00 46.19 45.35 1s4e s LEU 166 CO 0.42 -0.22 1.23 -0.62 -0.29 0.00 0.00 176.35 176.88 1s4e s ASP 167 N 1.91 6.59 0.02 3.68 -1.08 -0.82 -1.45 116.67 125.50 1s4e s ASP 167 Ca 0.01 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.06 1s4e s ASP 167 Cb -0.12 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.87 1s4e s ASP 167 CO -0.04 -1.24 1.83 0.35 0.52 0.00 0.00 175.17 176.59 1s4e n THR 168 N 6.71 0.04 0.02 1.71 -2.24 -0.77 -0.73 114.28 119.03 1s4e n THR 168 Ca 0.14 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1s4e n THR 168 Cb 0.48 -0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.05 0.00 -0.78 4.15 -1.78 -3.38 115.11 113.27 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 0.52 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1s4e h GLN 169 CO 0.00 0.31 -0.96 0.25 -1.93 0.00 0.00 178.83 176.50 1s4e n THR 170 N -4.94 0.00 -3.83 2.39 -2.24 -1.20 -4.99 114.28 99.47 1s4e n THR 170 Ca -0.08 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1s4e n THR 170 Cb 0.21 0.92 0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.51 -2.63 -4.57 3.22 4.77 0.09 -4.98 117.00 111.39 1s4e n LEU 171 Ca 0.04 -0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 54.96 1s4e n LEU 171 Cb 0.33 -2.62 -0.11 0.00 -2.33 0.00 0.00 43.42 38.70 1s4e n LEU 171 CO 0.42 0.48 -0.31 -1.10 -1.33 0.00 0.00 177.39 175.55 1s4e s GLN 172 N -6.54 3.65 0.22 3.23 -1.52 -1.22 -4.98 119.66 112.48 1s4e s GLN 172 Ca 0.64 -0.44 -0.00 0.00 -1.95 0.00 0.00 55.36 53.61 1s4e s GLN 172 Cb -0.32 -2.99 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 1s4e s GLN 172 CO 0.79 0.34 0.12 1.52 -0.25 0.00 0.00 175.29 177.81 1s4e s TYR 173 N 0.13 1.27 -0.23 0.91 -0.85 -1.26 -1.95 117.35 115.38 1s4e s TYR 173 Ca 0.01 -1.31 -0.09 0.00 -0.52 0.00 0.00 57.07 55.16 1s4e s TYR 173 Cb -0.13 -0.66 0.09 0.00 0.38 0.00 0.00 41.96 41.64 1s4e s TYR 173 CO 0.02 -0.54 0.50 -2.00 -1.52 0.00 0.00 175.55 172.01 1s4e s GLU 174 N -4.12 0.43 0.25 -3.49 2.12 -0.21 -5.00 118.70 108.68 1s4e s GLU 174 Ca 0.38 1.11 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 1s4e s GLU 174 Cb 0.07 0.38 -0.09 0.00 0.26 0.00 0.00 34.13 34.75 1s4e s GLU 174 CO 0.12 -0.21 1.17 0.71 -0.54 0.00 0.00 175.26 176.50 1s4e s TYR 175 N 2.38 3.44 -0.13 5.30 4.12 -1.26 -1.81 117.35 129.39 1s4e s TYR 175 Ca -0.05 1.55 -0.01 0.00 0.02 0.00 0.00 57.07 58.59 1s4e s TYR 175 Cb -0.11 -3.40 0.03 0.00 -1.52 0.00 0.00 41.96 36.97 1s4e s TYR 175 CO -0.15 -0.99 -0.05 0.42 0.02 0.00 0.00 175.55 174.80 1s4e s ILE 176 N -0.74 0.95 0.16 2.71 1.01 -0.22 -4.96 121.20 120.12 1s4e s ILE 176 Ca 0.48 -0.39 -0.33 0.00 0.00 0.00 0.00 60.65 60.41 1s4e s ILE 176 Cb -0.33 -1.08 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 1s4e s ILE 176 CO 0.41 0.23 1.67 -2.65 0.00 0.00 0.00 174.94 174.60 1s4e n PRO 177 N 4.95 2.44 -3.71 2.79 -0.02 -1.26 -1.74 135.00 138.44 1s4e n PRO 177 Ca -0.11 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 1s4e n PRO 177 Cb 0.49 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.35 3.22 0.28 6.00 5.36 0.73 -4.89 117.98 130.03 1s4e s PHE 178 Ca 0.78 0.03 -0.30 0.00 -0.96 0.00 0.00 56.93 56.48 1s4e s PHE 178 Cb -0.60 -2.27 -0.13 0.00 -0.34 0.00 0.00 43.02 39.69 1s4e s PHE 178 CO 0.36 -0.08 1.44 -2.30 -1.46 0.00 0.00 175.22 173.18 1s4e n PRO 179 N 4.55 2.26 0.23 10.12 -0.02 -1.26 -4.73 135.00 146.15 1s4e n PRO 179 Ca -0.15 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1s4e n PRO 179 Cb 0.52 -2.48 0.41 0.00 -0.02 0.00 0.00 33.50 31.93 1s4e n PRO 179 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1s4e h LYS 180 N 4.03 0.00 -0.01 -0.52 -0.00 -1.96 -2.85 116.57 115.25 1s4e h LYS 180 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1s4e h LYS 180 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1s4e h LYS 180 CO 0.74 0.13 0.00 -0.40 -0.00 0.00 0.00 179.45 179.92 1s4e n ASP 181 N -3.21 0.10 -4.03 7.07 5.75 -1.26 -4.74 116.55 116.23 1s4e n ASP 181 Ca 0.01 -1.53 -0.20 0.00 -0.01 0.00 0.00 54.79 53.06 1s4e n ASP 181 Cb 0.45 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.38 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 -1.99 0.84 -0.05 2.12 1.01 -1.08 -2.47 120.40 118.79 1s4e s VAL 182 Ca 0.24 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1s4e s VAL 182 Cb 0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1s4e s VAL 182 CO 0.18 0.25 -0.20 -0.55 0.00 0.00 0.00 175.10 174.78 1s4e s SER 183 N -0.07 2.47 -0.18 3.32 0.15 -0.21 -4.77 113.70 114.41 1s4e s SER 183 Ca 0.01 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 1s4e s SER 183 Cb -0.06 -0.68 -0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1s4e s SER 183 CO 0.00 0.19 1.09 -0.69 1.20 0.00 0.00 173.24 175.02 1s4e s VAL 184 N -0.04 4.59 -0.22 4.45 1.01 -1.22 -3.11 120.40 125.87 1s4e s VAL 184 Ca -0.04 1.91 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 1s4e s VAL 184 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1s4e s VAL 184 CO 0.03 -0.13 0.29 -0.22 0.00 0.00 0.00 175.10 175.07 1s4e s LEU 185 N 2.98 4.13 -0.33 3.92 0.20 -0.40 -1.82 118.68 127.36 1s4e s LEU 185 Ca 0.48 0.32 -0.02 0.00 0.69 0.00 0.00 54.13 55.60 1s4e s LEU 185 Cb -0.18 -2.33 0.07 0.00 -0.43 0.00 0.00 46.19 43.32 1s4e s LEU 185 CO 0.11 -0.02 0.05 -0.69 -0.29 0.00 0.00 176.35 175.50 1s4e s VAL 186 N 1.26 3.02 -0.35 1.68 1.01 -0.25 -1.40 120.40 125.37 1s4e s VAL 186 Ca 0.14 -1.58 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1s4e s VAL 186 Cb -0.14 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1s4e s VAL 186 CO 0.07 -0.26 0.13 0.12 0.00 0.00 0.00 175.10 175.16 1s4e s PHE 187 N 1.21 3.25 -0.07 5.22 5.36 -0.67 -1.08 117.98 131.20 1s4e s PHE 187 Ca -0.01 -1.28 -0.27 0.00 -0.96 0.00 0.00 56.93 54.41 1s4e s PHE 187 Cb -0.20 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1s4e s PHE 187 CO -0.02 -0.70 0.87 -0.47 -1.46 0.00 0.00 175.22 173.44 1s4e s TYR 188 N 1.45 3.56 -0.48 10.12 5.04 0.38 -1.22 117.35 136.20 1s4e s TYR 188 Ca -0.01 1.46 0.24 0.00 -2.44 0.00 0.00 57.07 56.33 1s4e s TYR 188 Cb -0.19 -3.01 0.54 0.00 0.35 0.00 0.00 41.96 39.64 1s4e s TYR 188 CO 0.04 -0.06 1.68 1.79 -1.34 0.00 0.00 175.55 177.65 1s4e h THR 189 N 4.92 0.00 -0.07 4.34 1.35 -1.61 -2.81 112.91 119.01 1s4e h THR 189 Ca -0.37 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 64.64 1s4e h THR 189 Cb 1.18 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1s4e h THR 189 CO 0.79 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.64 1s4e n GLY 190 N 1.06 0.51 3.21 5.82 0.00 -1.26 -4.42 105.19 110.12 1s4e n GLY 190 Ca 0.04 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.03 2.42 -0.27 1.61 1.01 -1.26 -4.42 120.40 117.46 1s4e s VAL 191 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1s4e s VAL 191 Cb 0.00 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.46 1s4e s VAL 191 CO 0.00 0.52 0.08 -0.54 0.00 0.00 0.00 175.10 175.17 1s4e s LYS 192 N 0.93 0.59 0.09 2.72 1.02 -1.26 -1.04 119.74 122.80 1s4e s LYS 192 Ca -0.03 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 1s4e s LYS 192 Cb -0.15 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1s4e s LYS 192 CO -0.03 -0.88 0.49 -0.98 -0.92 0.00 0.00 175.35 173.03 1s4e s ARG 193 N 1.79 3.95 0.00 1.68 1.70 -1.24 -5.00 118.95 121.83 1s4e s ARG 193 Ca 0.06 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 1s4e s ARG 193 Cb -0.17 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 1s4e s ARG 193 CO -0.22 0.56 0.00 0.39 -1.08 0.00 0.00 175.30 174.95 1s4e n GLU 194 N 1.13 0.00 0.10 3.89 4.71 -1.26 -1.68 120.64 127.54 1s4e n GLU 194 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.16 1s4e n GLU 194 Cb 0.52 0.00 0.42 0.00 -1.01 0.00 0.00 31.44 31.37 1s4e n GLU 194 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1s4e n LEU 195 N -0.31 0.42 -0.30 -4.62 -0.00 -1.26 -3.81 117.00 107.12 1s4e n LEU 195 Ca 0.00 0.66 0.11 0.00 -0.00 0.00 0.00 56.01 56.77 1s4e n LEU 195 Cb 0.00 -0.66 0.24 0.00 -0.00 0.00 0.00 43.42 43.00 1s4e n LEU 195 CO 0.00 -0.68 0.84 0.00 -0.00 0.00 0.00 177.39 177.55 1s4e h ALA 196 N 2.13 1.05 0.21 1.47 0.00 -1.67 0.68 119.26 123.13 1s4e h ALA 196 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s4e h ALA 196 Cb 0.13 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s4e h ALA 196 CO 0.00 -0.49 -0.10 0.77 0.00 0.00 0.00 179.25 179.43 1s4e h SER 197 N 0.09 -0.24 -0.30 0.00 0.02 -1.80 -2.49 113.55 108.84 1s4e h SER 197 Ca 0.52 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 1s4e h SER 197 Cb 1.02 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1s4e h SER 197 CO -0.77 0.10 -0.17 0.77 -1.14 0.00 0.00 176.83 175.61 1s4e h SER 198 N -0.59 0.76 -0.17 3.07 4.64 -1.72 -1.65 113.55 117.88 1s4e h SER 198 Ca -0.03 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1s4e h SER 198 Cb 0.44 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1s4e h SER 198 CO 0.05 0.93 0.03 -0.33 -0.87 0.00 0.00 176.83 176.64 1s4e h GLU 199 N 0.67 0.28 -0.30 4.77 4.39 -0.95 -0.63 114.58 122.81 1s4e h GLU 199 Ca 0.10 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.80 1s4e h GLU 199 Cb 0.66 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 1s4e h GLU 199 CO 0.05 0.44 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.28 1s4e h TYR 200 N 0.07 -0.34 -0.94 4.33 3.20 -1.35 -1.34 116.97 120.60 1s4e h TYR 200 Ca 0.05 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1s4e h TYR 200 Cb 0.30 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 1s4e h TYR 200 CO 0.02 -0.21 0.61 0.00 -1.64 0.00 0.00 178.16 176.93 1s4e h ALA 201 N 1.14 1.49 0.12 1.82 0.00 -1.09 -0.91 119.26 121.83 1s4e h ALA 201 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1s4e h ALA 201 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s4e h ALA 201 CO -0.36 0.36 -0.06 0.93 0.00 0.00 0.00 179.25 180.12 1s4e h GLU 202 N 1.06 -0.16 -0.92 0.00 4.39 -0.47 0.11 114.58 118.58 1s4e h GLU 202 Ca 0.41 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.17 1s4e h GLU 202 Cb 0.22 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1s4e h GLU 202 CO -0.16 0.02 0.60 0.00 -1.16 0.00 0.00 179.01 178.31 1s4e h ARG 203 N -0.32 1.07 -0.35 2.33 2.47 -0.75 -0.02 114.38 118.81 1s4e h ARG 203 Ca -0.02 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.56 1s4e h ARG 203 Cb 0.26 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1s4e h ARG 203 CO 0.03 0.71 -0.08 -0.22 0.56 0.00 0.00 179.97 180.97 1s4e h LYS 204 N 1.11 0.67 -0.36 0.04 3.64 -0.93 -0.70 116.57 120.05 1s4e h LYS 204 Ca 0.38 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1s4e h LYS 204 Cb 0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1s4e h LYS 204 CO -0.13 0.83 0.01 -0.09 -2.27 0.00 0.00 179.45 177.81 1s4e h ARG 205 N 0.46 0.63 -0.17 1.90 2.43 -0.43 -1.25 114.38 117.94 1s4e h ARG 205 Ca 0.09 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1s4e h ARG 205 Cb 0.58 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1s4e h ARG 205 CO 0.03 0.73 -0.38 0.82 -1.51 0.00 0.00 179.97 179.66 1s4e h ILE 206 N 0.45 1.30 -0.52 1.20 2.04 -0.91 0.75 117.51 121.82 1s4e h ILE 206 Ca 0.10 -1.50 -0.11 0.00 1.00 0.00 0.00 64.86 64.35 1s4e h ILE 206 Cb 0.44 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1s4e h ILE 206 CO 0.02 0.46 -0.12 0.00 0.00 0.00 0.00 178.15 178.51 1s4e h ALA 207 N 1.27 0.71 -0.10 1.87 0.00 -0.99 -1.75 119.26 120.27 1s4e h ALA 207 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 1s4e h ALA 207 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s4e h ALA 207 CO 0.07 0.63 -0.75 0.93 0.00 0.00 0.00 179.25 180.12 1s4e h GLU 208 N 0.86 0.52 -0.54 0.00 5.08 -0.69 -2.21 114.58 117.60 1s4e h GLU 208 Ca 0.13 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1s4e h GLU 208 Cb 0.69 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1s4e h GLU 208 CO 0.05 1.06 0.18 0.93 -1.00 0.00 0.00 179.01 180.23 1s4e h GLU 209 N 0.35 0.80 -0.18 2.33 5.08 -0.84 -2.31 114.58 119.81 1s4e h GLU 209 Ca -0.04 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1s4e h GLU 209 Cb 1.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1s4e h GLU 209 CO 0.14 0.69 0.05 0.77 -1.00 0.00 0.00 179.01 179.66 1s4e h SER 210 N 0.79 0.26 -0.47 1.42 0.02 -1.02 -0.19 113.55 114.35 1s4e h SER 210 Ca 0.18 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1s4e h SER 210 Cb 0.21 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1s4e h SER 210 CO -0.01 0.40 0.29 -0.07 -1.14 0.00 0.00 176.83 176.29 1s4e h LEU 211 N 0.11 0.57 -1.72 5.07 3.38 -1.29 -1.47 115.31 119.96 1s4e h LEU 211 Ca 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1s4e h LEU 211 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1s4e h LEU 211 CO -0.00 0.46 -0.16 0.03 0.09 0.00 0.00 178.44 178.86 1s4e h ARG 212 N 0.63 0.00 -0.03 1.13 3.08 -1.32 -1.31 114.38 116.57 1s4e h ARG 212 Ca 0.17 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 1s4e h ARG 212 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1s4e h ARG 212 CO -0.03 0.16 -0.78 0.82 -1.07 0.00 0.00 179.97 179.07 1s4e h ILE 213 N 0.00 1.44 -0.16 2.04 2.04 -0.03 -3.12 117.51 119.72 1s4e h ILE 213 Ca -0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1s4e h ILE 213 Cb 0.31 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1s4e h ILE 213 CO 0.02 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.05 1s4e n LEU 214 N -3.75 2.44 -1.88 1.44 4.77 -0.73 -4.92 117.00 114.37 1s4e n LEU 214 Ca -0.04 -0.95 -0.19 0.00 -0.03 0.00 0.00 56.01 54.81 1s4e n LEU 214 Cb 0.74 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 1s4e n LEU 214 CO 0.47 0.47 -0.20 0.61 -1.33 0.00 0.00 177.39 177.41 1s4e n GLY 215 N 1.30 0.89 3.96 -0.72 0.00 -0.73 -4.99 105.19 104.89 1s4e n GLY 215 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.16 3.12 -0.01 1.61 3.01 -0.57 -5.01 119.74 117.73 1s4e s LYS 216 Ca 0.00 -1.00 0.09 0.00 -1.01 0.00 0.00 55.97 54.05 1s4e s LYS 216 Cb 0.00 -2.77 -0.13 0.00 -1.01 0.00 0.00 37.83 33.92 1s4e s LYS 216 CO 0.00 0.16 0.26 0.39 0.51 0.00 0.00 175.35 176.67 1s4e n GLU 217 N -1.53 1.42 -3.80 1.68 -0.58 -1.26 -4.37 120.64 112.20 1s4e n GLU 217 Ca -0.03 -0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.53 1s4e n GLU 217 Cb 0.58 -1.13 -0.09 0.00 -0.57 0.00 0.00 31.44 30.23 1s4e n GLU 217 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1s4e s SER 218 N -2.70 -0.10 0.27 1.62 0.15 -1.26 -4.81 113.70 106.87 1s4e s SER 218 Ca -0.01 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 56.78 1s4e s SER 218 Cb 0.06 0.28 1.02 0.00 -1.71 0.00 0.00 66.02 65.68 1s4e s SER 218 CO 0.38 -0.46 1.68 -1.54 1.20 0.00 0.00 173.24 174.50 1s4e n SER 219 N 1.17 0.62 0.13 5.45 3.41 0.21 -2.40 113.62 122.21 1s4e n SER 219 Ca -0.21 0.69 0.04 0.00 -0.26 0.00 0.00 58.87 59.13 1s4e n SER 219 Cb 0.57 -0.81 0.45 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.22 -0.07 4.33 1.57 -1.80 -3.00 116.57 117.83 1s4e h LYS 220 Ca 0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1s4e h LYS 220 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1s4e h LYS 220 CO 0.00 0.29 -0.61 0.93 -0.57 0.00 0.00 179.45 179.49 1s4e h GLU 221 N 0.22 0.23 -7.01 3.15 5.08 -1.87 -3.48 114.58 110.90 1s4e h GLU 221 Ca 0.05 -0.16 -0.53 0.00 -1.00 0.00 0.00 59.36 57.72 1s4e h GLU 221 Cb 0.25 0.03 0.10 0.00 0.50 0.00 0.00 28.75 29.62 1s4e h GLU 221 CO 0.01 0.77 0.58 0.08 -1.00 0.00 0.00 179.01 179.45 1s4e s VAL 222 N -3.74 2.49 0.47 3.13 1.01 -1.14 -5.03 120.40 117.59 1s4e s VAL 222 Ca -0.04 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1s4e s VAL 222 Cb 0.12 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1s4e s VAL 222 CO 0.80 0.01 0.18 -0.89 0.00 0.00 0.00 175.10 175.20 1s4e s THR 223 N -1.36 1.86 0.20 3.92 2.01 -1.26 -5.01 115.64 115.99 1s4e s THR 223 Ca 0.65 -1.74 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1s4e s THR 223 Cb -0.37 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1s4e s THR 223 CO 0.45 0.00 1.53 1.05 -0.69 0.00 0.00 174.62 176.96 1s4e h GLU 224 N 1.27 0.55 -0.31 4.92 9.09 -2.00 -2.64 114.58 125.46 1s4e h GLU 224 Ca -0.42 -0.33 -0.09 0.00 0.05 0.00 0.00 59.36 58.58 1s4e h GLU 224 Cb 1.28 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.39 1s4e h GLU 224 CO 0.69 0.93 -0.17 1.57 0.05 0.00 0.00 179.01 182.07 1s4e h LYS 225 N 0.43 0.56 -0.22 1.06 5.09 -2.00 -2.98 116.57 118.52 1s4e h LYS 225 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 60.65 60.54 1s4e h LYS 225 Cb 1.04 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.32 1s4e h LYS 225 CO 0.10 0.71 0.03 -0.44 -2.09 0.00 0.00 179.45 177.76 1s4e h ASP 226 N 0.51 0.35 -0.38 7.07 3.32 -1.94 -2.66 116.42 122.70 1s4e h ASP 226 Ca 0.08 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1s4e h ASP 226 Cb 0.59 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1s4e h ASP 226 CO 0.04 0.52 0.25 -0.07 -1.72 0.00 0.00 179.24 178.26 1s4e h LEU 227 N 0.16 0.28 -1.69 1.55 3.38 -1.41 0.11 115.31 117.69 1s4e h LEU 227 Ca 0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1s4e h LEU 227 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1s4e h LEU 227 CO 0.00 0.19 -0.17 1.23 0.09 0.00 0.00 178.44 179.78 1s4e h GLY 228 N 0.32 0.00 2.00 0.83 0.00 -1.32 -2.54 103.07 102.36 1s4e h GLY 228 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1s4e h GLY 228 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1s4e n LYS 229 N -4.23 0.05 -3.28 4.80 5.02 0.02 -4.86 118.16 115.68 1s4e n LYS 229 Ca -0.02 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 1s4e n LYS 229 Cb 0.24 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.31 4.09 0.80 -0.35 1.43 -0.96 -5.04 118.68 115.35 1s4e s LEU 230 Ca 0.10 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1s4e s LEU 230 Cb 0.14 -3.80 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1s4e s LEU 230 CO 0.43 -0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 1s4e s PRO 231 N -3.04 2.03 0.18 1.29 0.04 -1.26 -4.60 135.00 129.63 1s4e s PRO 231 Ca 0.49 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 62.30 1s4e s PRO 231 Cb -0.11 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1s4e s PRO 231 CO 0.22 -1.75 1.58 -1.35 0.04 0.00 0.00 177.00 175.73 1s4e h PRO 232 N -1.20 -0.18 -0.28 0.56 0.11 -1.98 0.70 132.00 129.73 1s4e h PRO 232 Ca -0.46 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1s4e h PRO 232 Cb 1.25 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1s4e h PRO 232 CO 0.54 -0.12 -0.32 1.25 -0.21 0.00 0.00 178.00 179.14 1s4e h LEU 233 N -0.18 0.78 -0.38 2.35 5.85 -1.99 -0.79 115.31 120.95 1s4e h LEU 233 Ca 0.21 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1s4e h LEU 233 Cb 0.56 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1s4e h LEU 233 CO -0.70 1.10 0.05 0.45 -0.34 0.00 0.00 178.44 179.01 1s4e h HIS 234 N 0.46 0.08 -0.74 1.25 3.86 -1.73 -1.59 115.15 116.74 1s4e h HIS 234 Ca 0.04 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1s4e h HIS 234 Cb 0.90 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 1s4e h HIS 234 CO 0.07 -0.01 0.46 -0.09 0.86 0.00 0.00 177.93 179.22 1s4e h ARG 235 N 0.17 1.00 -0.37 2.45 1.12 -0.68 -1.28 114.38 116.78 1s4e h ARG 235 Ca 0.18 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 1s4e h ARG 235 Cb 0.23 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1s4e h ARG 235 CO -0.26 0.70 0.18 -0.22 -3.11 0.00 0.00 179.97 177.26 1s4e h LYS 236 N 1.01 0.53 -0.01 0.20 1.63 -0.29 -1.82 116.57 117.83 1s4e h LYS 236 Ca 0.27 -0.08 -0.19 0.00 -0.85 0.00 0.00 60.65 59.80 1s4e h LYS 236 Cb -0.06 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1s4e h LYS 236 CO -0.05 0.47 -0.73 0.74 -3.45 0.00 0.00 179.45 176.43 1s4e h PHE 237 N 0.46 0.75 0.00 1.91 0.05 -1.19 -3.27 116.94 115.65 1s4e h PHE 237 Ca 0.13 -0.40 -0.10 0.00 3.82 0.00 0.00 57.97 61.42 1s4e h PHE 237 Cb 0.11 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 37.96 1s4e h PHE 237 CO -0.02 1.22 -0.47 0.35 -0.18 0.00 0.00 178.31 179.22 1s4e h PHE 238 N 0.06 0.00 -0.26 -0.55 3.57 -1.21 -2.57 116.94 115.98 1s4e h PHE 238 Ca -0.09 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1s4e h PHE 238 Cb 1.42 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 1s4e h PHE 238 CO 0.13 0.47 0.09 0.77 -2.23 0.00 0.00 178.31 177.54 1s4e h SER 239 N 0.00 0.11 -0.69 0.41 0.02 -1.40 -2.10 113.55 109.90 1s4e h SER 239 Ca -0.00 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.10 1s4e h SER 239 Cb 0.84 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 1s4e h SER 239 CO 0.06 0.10 0.21 0.22 -1.14 0.00 0.00 176.83 176.28 1s4e h TYR 240 N 0.21 0.35 -0.51 3.45 3.20 -1.51 -1.40 116.97 120.77 1s4e h TYR 240 Ca 0.11 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1s4e h TYR 240 Cb 0.07 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1s4e h TYR 240 CO -0.12 0.00 0.31 0.82 -1.64 0.00 0.00 178.16 177.53 1s4e h ILE 241 N 0.34 1.07 -0.44 1.81 2.04 -1.37 -1.33 117.51 119.64 1s4e h ILE 241 Ca 0.38 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 1s4e h ILE 241 Cb 0.58 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1s4e h ILE 241 CO -0.42 0.11 0.09 0.58 0.00 0.00 0.00 178.15 178.51 1s4e h VAL 242 N 0.62 1.24 0.00 1.67 2.07 -0.95 0.32 116.25 121.21 1s4e h VAL 242 Ca 0.20 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1s4e h VAL 242 Cb 0.00 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1s4e h VAL 242 CO -0.08 0.30 -0.05 0.03 0.02 0.00 0.00 177.57 177.78 1s4e h ARG 243 N 0.58 0.00 0.17 1.57 3.08 -0.99 -2.93 114.38 115.87 1s4e h ARG 243 Ca 0.14 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.86 1s4e h ARG 243 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1s4e h ARG 243 CO 0.00 0.05 -1.56 0.93 -1.07 0.00 0.00 179.97 178.32 1s4e h GLU 244 N 0.00 0.37 -0.91 0.04 5.08 -0.32 -2.39 114.58 116.45 1s4e h GLU 244 Ca -0.00 -0.63 0.22 0.00 -1.00 0.00 0.00 59.36 57.96 1s4e h GLU 244 Cb 0.09 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 29.45 1s4e h GLU 244 CO 0.01 1.27 0.41 -0.91 -1.00 0.00 0.00 179.01 178.78 1s4e h ASN 245 N 0.10 0.36 -0.39 1.42 2.35 -0.82 0.53 115.58 119.13 1s4e h ASN 245 Ca -0.27 0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1s4e h ASN 245 Cb 2.08 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.56 1s4e h ASN 245 CO 0.20 0.00 -0.24 0.00 -1.65 0.00 0.00 177.43 175.74 1s4e h ALA 246 N 1.71 0.75 -0.13 -0.83 0.00 -1.52 -2.94 119.26 116.30 1s4e h ALA 246 Ca 0.57 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1s4e h ALA 246 Cb 1.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1s4e h ALA 246 CO -0.53 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.17 1s4e h ARG 247 N 0.78 0.21 0.01 0.00 3.08 -0.44 -2.37 114.38 115.65 1s4e h ARG 247 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1s4e h ARG 247 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1s4e h ARG 247 CO 0.07 0.43 -0.01 0.28 -1.07 0.00 0.00 179.97 179.67 1s4e h VAL 248 N 0.20 1.14 -0.10 2.04 2.07 -0.87 -0.78 116.25 119.95 1s4e h VAL 248 Ca 0.03 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1s4e h VAL 248 Cb 0.50 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1s4e h VAL 248 CO 0.03 0.12 0.08 -0.07 0.02 0.00 0.00 177.57 177.76 1s4e h LEU 249 N -0.22 0.00 0.15 2.57 3.38 -1.35 0.03 115.31 119.87 1s4e h LEU 249 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1s4e h LEU 249 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1s4e h LEU 249 CO 0.00 0.00 -1.50 -0.33 0.09 0.00 0.00 178.44 176.70 1s4e h GLU 250 N 0.00 0.32 -0.58 1.13 4.39 -1.19 -2.95 114.58 115.70 1s4e h GLU 250 Ca 0.05 -0.54 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 1s4e h GLU 250 Cb 0.21 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1s4e h GLU 250 CO -0.00 1.21 0.00 0.28 -1.16 0.00 0.00 179.01 179.34 1s4e h VAL 251 N 0.09 1.26 -0.42 3.13 2.07 -0.54 -1.93 116.25 119.91 1s4e h VAL 251 Ca -0.24 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.23 1s4e h VAL 251 Cb 2.04 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 1s4e h VAL 251 CO 0.19 0.41 -0.28 -0.09 0.02 0.00 0.00 177.57 177.82 1s4e h ARG 252 N 0.91 -0.20 -0.55 1.57 2.43 -1.08 0.15 114.38 117.63 1s4e h ARG 252 Ca 0.17 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1s4e h ARG 252 Cb 0.55 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1s4e h ARG 252 CO 0.03 -0.13 0.10 -0.44 -1.51 0.00 0.00 179.97 178.02 1s4e h ASP 253 N -0.20 0.86 0.46 -3.80 5.19 -1.30 -2.07 116.42 115.57 1s4e h ASP 253 Ca 0.19 -0.25 -0.09 0.00 -0.62 0.00 0.00 57.03 56.26 1s4e h ASP 253 Cb 0.51 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1s4e h ASP 253 CO -0.53 0.90 -0.41 0.00 -3.12 0.00 0.00 179.24 176.07 1s4e h ALA 254 N 1.00 1.27 0.02 3.45 0.00 -1.10 -2.68 119.26 121.22 1s4e h ALA 254 Ca 0.17 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 1s4e h ALA 254 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1s4e h ALA 254 CO 0.01 0.52 -1.19 1.25 0.00 0.00 0.00 179.25 179.83 1s4e h LEU 255 N 0.00 0.08 0.00 0.00 6.46 -0.65 0.82 115.31 122.02 1s4e h LEU 255 Ca -0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1s4e h LEU 255 Cb 0.75 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1s4e h LEU 255 CO 0.05 1.07 0.00 0.29 -0.62 0.00 0.00 178.44 179.24 1s4e n LYS 256 N -3.32 0.97 0.00 1.25 5.02 -0.81 -2.76 118.16 118.51 1s4e n LYS 256 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1s4e n LYS 256 Cb 0.98 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1s4e n LYS 256 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s4e n GLU 257 N -0.61 -0.60 -1.10 1.97 1.02 -1.03 -5.00 120.64 115.29 1s4e n GLU 257 Ca 0.05 -0.52 -0.03 0.00 -0.02 0.00 0.00 57.16 56.64 1s4e n GLU 257 Cb 0.02 -0.94 -0.01 0.00 -0.02 0.00 0.00 31.44 30.49 1s4e n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4e n GLY 258 N -0.04 0.55 3.53 0.62 0.00 -0.96 -4.94 105.19 103.97 1s4e n GLY 258 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.20 4.76 0.20 1.61 -0.08 0.24 -4.79 116.55 118.30 1s4e n ASP 259 Ca -0.03 -2.90 0.10 0.00 -1.51 0.00 0.00 54.79 50.44 1s4e n ASP 259 Cb 0.27 -1.74 0.23 0.00 2.34 0.00 0.00 41.12 42.22 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 5.52 0.34 -0.11 5.18 6.09 -1.92 -2.62 117.51 129.98 1s4e h ILE 260 Ca 0.44 -1.31 -0.12 0.00 -1.37 0.00 0.00 64.86 62.50 1s4e h ILE 260 Cb 0.86 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 40.17 1s4e h ILE 260 CO 1.47 0.18 -0.47 -0.33 -3.07 0.00 0.00 178.15 175.93 1s4e h GLU 261 N 0.00 0.26 0.03 2.19 3.07 -1.92 -1.90 114.58 116.31 1s4e h GLU 261 Ca -0.00 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.55 1s4e h GLU 261 Cb 1.02 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1s4e h GLU 261 CO 0.02 0.68 -0.68 -0.22 -1.40 0.00 0.00 179.01 177.41 1s4e h LYS 262 N 0.21 0.41 -0.93 2.33 3.64 -1.91 -2.38 116.57 117.95 1s4e h LYS 262 Ca 0.01 -0.48 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1s4e h LYS 262 Cb 0.91 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1s4e h LYS 262 CO 0.07 1.15 0.58 0.28 -2.27 0.00 0.00 179.45 179.26 1s4e h VAL 263 N -0.11 1.05 -0.41 2.00 2.07 -1.51 -1.67 116.25 117.68 1s4e h VAL 263 Ca -0.09 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1s4e h VAL 263 Cb 1.41 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1s4e h VAL 263 CO 0.13 0.19 -0.35 1.23 0.02 0.00 0.00 177.57 178.80 1s4e h GLY 264 N 1.05 1.03 2.00 2.17 0.00 -1.38 -2.41 103.07 105.54 1s4e h GLY 264 Ca 0.41 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1s4e h GLY 264 CO -0.18 0.92 -0.13 0.07 0.00 0.00 0.00 176.54 177.22 1s4e h LYS 265 N 0.78 0.00 0.03 4.80 2.10 -1.16 -2.98 116.57 120.15 1s4e h LYS 265 Ca 0.07 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.57 1s4e h LYS 265 Cb 0.94 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.28 1s4e h LYS 265 CO 0.09 0.13 -0.62 0.82 -2.00 0.00 0.00 179.45 177.87 1s4e h ILE 266 N 0.00 1.46 -0.76 0.07 2.04 -1.08 -2.93 117.51 116.31 1s4e h ILE 266 Ca -0.00 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 1s4e h ILE 266 Cb 0.25 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 1s4e h ILE 266 CO 0.02 0.63 0.42 -0.07 0.00 0.00 0.00 178.15 179.14 1s4e h LEU 267 N -0.21 0.94 -0.75 1.44 3.38 -1.43 -1.48 115.31 117.20 1s4e h LEU 267 Ca -0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1s4e h LEU 267 Cb 1.37 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1s4e h LEU 267 CO 0.12 0.77 0.47 0.74 0.09 0.00 0.00 178.44 180.63 1s4e h THR 268 N 1.05 1.20 -0.19 0.22 2.02 -1.55 -0.70 112.91 114.96 1s4e h THR 268 Ca 0.27 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1s4e h THR 268 Cb 0.03 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1s4e h THR 268 CO -0.04 0.21 0.10 0.74 0.37 0.00 0.00 175.52 176.89 1s4e h THR 269 N 1.02 1.00 -0.95 3.16 2.02 -1.23 -1.78 112.91 116.16 1s4e h THR 269 Ca 0.27 -0.07 0.17 0.00 0.77 0.00 0.00 66.41 67.55 1s4e h THR 269 Cb -0.07 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.01 1s4e h THR 269 CO -0.05 0.04 0.54 0.00 0.37 0.00 0.00 175.52 176.42 1s4e h ALA 270 N 1.09 1.52 0.01 6.16 0.00 -0.86 -2.23 119.26 124.95 1s4e h ALA 270 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s4e h ALA 270 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s4e h ALA 270 CO -0.05 -0.06 -0.00 1.25 0.00 0.00 0.00 179.25 180.39 1s4e h HIS 271 N 0.71 -0.01 0.00 0.00 6.17 -0.24 -0.40 115.15 121.39 1s4e h HIS 271 Ca 0.54 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.56 1s4e h HIS 271 Cb 0.81 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 1s4e h HIS 271 CO -0.04 0.06 -0.28 -1.49 0.71 0.00 0.00 177.93 176.89 1s4e h TRP 272 N -0.08 0.00 -0.12 5.26 -0.00 -1.26 0.23 115.95 119.98 1s4e h TRP 272 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.66 1s4e h TRP 272 Cb 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.25 1s4e h TRP 272 CO -0.05 0.28 -0.83 0.22 -0.00 0.00 0.00 178.44 178.06 1s4e h ASP 273 N 0.00 0.91 -0.48 -3.49 3.58 -1.13 0.18 116.42 115.99 1s4e h ASP 273 Ca -0.00 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 56.81 1s4e h ASP 273 Cb 0.70 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1s4e h ASP 273 CO 0.04 1.42 0.22 -0.07 -2.88 0.00 0.00 179.24 177.96 1s4e h LEU 274 N 0.50 0.64 -0.26 2.28 3.38 -0.48 -0.95 115.31 120.41 1s4e h LEU 274 Ca -0.07 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1s4e h LEU 274 Cb 1.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1s4e h LEU 274 CO 0.17 0.60 -0.18 0.00 0.09 0.00 0.00 178.44 179.11 1s4e h ALA 275 N 1.06 0.37 0.09 1.53 0.00 -0.43 0.55 119.26 122.43 1s4e h ALA 275 Ca 0.16 -0.35 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 1s4e h ALA 275 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1s4e h ALA 275 CO -0.02 0.29 -1.97 0.39 0.00 0.00 0.00 179.25 177.94 1s4e n GLU 276 N -4.40 0.73 -0.10 0.00 1.02 0.61 -3.69 120.64 114.79 1s4e n GLU 276 Ca -0.04 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.15 1s4e n GLU 276 Cb 0.40 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.36 1.75 0.18 1.62 3.02 -0.40 -4.55 115.26 113.51 1s4e n ASN 277 Ca -0.30 0.16 0.05 0.00 -0.03 0.00 0.00 54.58 54.47 1s4e n ASN 277 Cb 1.05 -0.54 0.24 0.00 -0.61 0.00 0.00 39.78 39.92 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 -0.55 0.00 -4.61 3.10 3.20 -1.40 -3.44 116.97 113.27 1s4e h TYR 278 Ca -0.51 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.07 1s4e h TYR 278 Cb 1.53 0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.90 1s4e h TYR 278 CO -0.04 0.39 -0.52 0.54 -1.64 0.00 0.00 178.16 176.89 1s4e n ARG 279 N -3.37 -5.73 -0.05 1.82 1.74 0.15 -4.95 116.66 106.27 1s4e n ARG 279 Ca 0.01 0.62 0.03 0.00 -0.77 0.00 0.00 57.85 57.73 1s4e n ARG 279 Cb 0.58 -5.01 0.05 0.00 -1.02 0.00 0.00 32.46 27.07 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 -4.16 0.54 -0.29 1.55 0.24 -0.99 -4.99 118.33 110.22 1s4e n VAL 280 Ca -0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1s4e n VAL 280 Cb 0.56 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.16 -0.03 -3.61 -1.34 2.88 -1.26 0.22 113.62 110.64 1s4e n SER 281 Ca 0.05 -0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.24 1s4e n SER 281 Cb 0.25 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.70 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 2.00 0.51 -0.06 0.00 5.08 -2.00 -2.68 114.58 117.42 1s4e h GLU 283 Ca -0.24 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 57.83 1s4e h GLU 283 Cb 1.24 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1s4e h GLU 283 CO 0.28 0.41 -0.89 1.05 -1.00 0.00 0.00 179.01 178.87 1s4e h GLU 284 N 0.51 0.64 -0.36 2.33 9.09 -1.99 -1.64 114.58 123.16 1s4e h GLU 284 Ca 0.13 -0.60 -0.06 0.00 0.05 0.00 0.00 59.36 58.88 1s4e h GLU 284 Cb 0.09 0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 1s4e h GLU 284 CO -0.02 1.21 0.00 -0.07 0.05 0.00 0.00 179.01 180.19 1s4e h LEU 285 N 0.40 0.62 -1.19 3.06 3.38 -1.91 -1.70 115.31 117.96 1s4e h LEU 285 Ca -0.08 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.72 1s4e h LEU 285 Cb 1.52 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1s4e h LEU 285 CO 0.17 0.78 0.59 0.44 0.09 0.00 0.00 178.44 180.51 1s4e h ASP 286 N 0.45 0.75 -0.32 -0.43 3.32 -1.50 -1.20 116.42 117.49 1s4e h ASP 286 Ca 0.10 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 1s4e h ASP 286 Cb 0.46 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s4e h ASP 286 CO 0.02 0.38 -0.39 0.15 -1.72 0.00 0.00 179.24 177.69 1s4e h PHE 287 N 0.79 1.00 -0.58 4.55 3.57 -0.86 -1.13 116.94 124.29 1s4e h PHE 287 Ca 0.46 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1s4e h PHE 287 Cb 0.64 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1s4e h PHE 287 CO -0.00 1.11 0.19 0.35 -2.23 0.00 0.00 178.31 177.73 1s4e h PHE 288 N 0.60 0.92 0.19 0.41 3.57 -0.87 -1.46 116.94 120.28 1s4e h PHE 288 Ca 0.04 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1s4e h PHE 288 Cb 0.98 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1s4e h PHE 288 CO 0.07 0.76 -0.09 0.28 -2.23 0.00 0.00 178.31 177.11 1s4e h VAL 289 N 0.81 0.92 -0.86 1.41 2.07 -1.15 -1.10 116.25 118.34 1s4e h VAL 289 Ca 0.19 -0.60 0.22 0.00 0.82 0.00 0.00 66.70 67.32 1s4e h VAL 289 Cb 0.27 1.27 -0.15 0.00 -1.52 0.00 0.00 31.29 31.16 1s4e h VAL 289 CO -0.01 0.14 0.06 0.11 0.02 0.00 0.00 177.57 177.88 1s4e h LYS 290 N -0.55 0.09 0.00 1.57 6.56 -1.18 -2.68 116.57 120.39 1s4e h LYS 290 Ca -0.03 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.44 1s4e h LYS 290 Cb 0.41 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 1s4e h LYS 290 CO 0.04 0.06 -0.55 -0.22 -2.06 0.00 0.00 179.45 176.73 1s4e h LYS 291 N 0.09 0.00 -0.99 3.15 1.63 -1.01 -2.86 116.57 116.58 1s4e h LYS 291 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1s4e h LYS 291 Cb 0.96 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1s4e h LYS 291 CO -0.75 0.55 0.00 0.00 -3.45 0.00 0.00 179.45 175.79 1s4e n ALA 292 N -2.25 2.11 0.00 5.00 0.00 -0.44 -2.55 120.51 122.38 1s4e n ALA 292 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s4e n ALA 292 Cb 0.73 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 0.40 0.00 -0.10 0.00 1.02 -1.08 -2.33 120.64 118.54 1s4e n GLU 294 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1s4e n GLU 294 Cb 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.75 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 1.02 -0.12 -4.62 4.77 -1.06 -4.87 117.00 112.13 1s4e n LEU 295 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1s4e n LEU 295 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1s4e n LEU 295 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1s4e n GLY 296 N 0.66 1.03 3.93 -0.72 0.00 -1.08 -4.98 105.19 104.03 1s4e n GLY 296 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1s4e n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4e s ALA 297 N -2.24 3.63 0.07 4.61 0.00 -0.98 -4.90 121.76 121.95 1s4e s ALA 297 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1s4e s ALA 297 Cb 0.00 -2.23 -0.14 0.00 0.00 0.00 0.00 23.12 20.75 1s4e s ALA 297 CO 0.00 -0.07 1.31 1.88 0.00 0.00 0.00 175.76 178.88 1s4e h TYR 298 N 0.71 0.79 -1.76 0.00 -1.99 -1.75 -3.49 116.97 109.49 1s4e h TYR 298 Ca -0.49 -0.31 0.24 0.00 2.00 0.00 0.00 58.73 60.17 1s4e h TYR 298 Cb 1.21 -0.14 -0.14 0.00 2.00 0.00 0.00 36.73 39.66 1s4e h TYR 298 CO 0.53 1.08 0.70 0.20 -0.00 0.00 0.00 178.16 180.67 1s4e s GLY 299 N -3.84 -0.35 0.01 3.88 0.00 -1.25 -3.15 107.32 102.61 1s4e s GLY 299 Ca -0.12 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 45.28 1s4e s GLY 299 CO 0.84 0.28 0.79 0.00 0.00 0.00 0.00 173.10 175.00 1s4e s ALA 300 N -2.69 -1.77 -0.16 3.20 0.00 -1.26 -0.25 121.76 118.84 1s4e s ALA 300 Ca 0.11 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1s4e s ALA 300 Cb 0.01 0.32 0.13 0.00 0.00 0.00 0.00 23.12 23.58 1s4e s ALA 300 CO -0.04 -0.60 1.06 0.50 0.00 0.00 0.00 175.76 176.68 1s4e s ARG 301 N -2.69 0.51 0.64 0.00 3.52 -0.12 -3.47 118.95 117.34 1s4e s ARG 301 Ca 0.00 0.02 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 1s4e s ARG 301 Cb -0.01 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1s4e s ARG 301 CO -0.05 -0.18 1.15 -0.48 -0.81 0.00 0.00 175.30 174.92 1s4e s LEU 302 N -1.47 3.50 -0.03 -0.88 0.05 -1.26 -0.76 118.68 117.83 1s4e s LEU 302 Ca 0.02 2.17 0.03 0.00 0.05 0.00 0.00 54.13 56.40 1s4e s LEU 302 Cb -0.01 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.56 1s4e s LEU 302 CO -0.02 -1.66 -0.11 0.28 -0.55 0.00 0.00 176.35 174.29 1s4e s THR 303 N -2.03 0.93 0.00 5.48 -1.32 -1.03 -4.78 115.64 112.89 1s4e s THR 303 Ca 0.71 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 1s4e s THR 303 Cb -0.24 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1s4e s THR 303 CO 0.38 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.68 1s4e n GLY 304 N 3.25 -0.10 0.17 6.08 0.00 -1.26 -4.42 105.19 108.90 1s4e n GLY 304 Ca -0.18 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 0.53 0.00 4.61 0.00 -1.93 -3.44 119.26 119.03 1s4e h ALA 305 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 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 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1s4e n GLY 306 N 0.66 -1.42 2.44 0.00 0.00 -1.26 -4.89 105.19 100.72 1s4e n GLY 306 Ca -0.05 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 0.00 1.61 3.01 0.13 -4.60 117.46 117.61 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 -1.32 0.00 0.00 -0.01 0.00 0.00 39.48 38.15 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 -1.22 0.47 7.00 1.37 0.00 -1.26 -3.60 105.19 107.95 1s4e n GLY 308 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 1.09 3.84 -0.02 0.00 -0.21 -4.91 105.19 104.99 1s4e n GLY 309 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 4.73 0.21 1.61 0.01 -1.14 -1.65 113.70 113.46 1s4e s SER 310 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1s4e s SER 310 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1s4e s SER 310 CO 0.00 -0.77 0.09 0.00 0.41 0.00 0.00 173.24 172.97 1s4e s ALA 311 N -2.61 1.34 0.04 1.44 0.00 -0.36 -2.48 121.76 119.14 1s4e s ALA 311 Ca 0.41 -1.71 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1s4e s ALA 311 Cb -0.01 1.06 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 1s4e s ALA 311 CO 0.24 -0.49 -0.22 0.96 0.00 0.00 0.00 175.76 176.25 1s4e s ILE 312 N -3.93 1.79 -0.05 0.00 -4.36 0.07 -1.66 121.20 113.05 1s4e s ILE 312 Ca 0.34 -1.25 0.03 0.00 -0.26 0.00 0.00 60.65 59.51 1s4e s ILE 312 Cb 0.07 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 42.24 1s4e s ILE 312 CO 0.10 0.25 -0.14 0.00 0.24 0.00 0.00 174.94 175.38 1s4e s ALA 313 N -0.80 1.36 0.08 2.27 0.00 -0.49 -0.94 121.76 123.23 1s4e s ALA 313 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 1s4e s ALA 313 Cb -0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 1s4e s ALA 313 CO 0.02 0.18 0.62 -0.51 0.00 0.00 0.00 175.76 176.08 1s4e s LEU 314 N 0.37 4.52 -0.19 0.00 1.43 0.66 -1.27 118.68 124.19 1s4e s LEU 314 Ca -0.10 1.33 -0.28 0.00 -1.03 0.00 0.00 54.13 54.06 1s4e s LEU 314 Cb -0.14 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.17 1s4e s LEU 314 CO 0.03 0.22 0.80 -0.69 0.23 0.00 0.00 176.35 176.94 1s4e s VAL 315 N -0.89 0.00 0.11 -1.59 1.01 -1.18 -2.06 120.40 115.81 1s4e s VAL 315 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.96 1s4e s VAL 315 Cb -0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 1s4e s VAL 315 CO 0.20 0.00 1.73 0.47 0.00 0.00 0.00 175.10 177.50 1s4e n ASP 316 N 1.80 3.58 -0.23 3.32 8.00 -1.26 -1.04 116.55 130.71 1s4e n ASP 316 Ca -0.15 1.03 -0.02 0.00 0.71 0.00 0.00 54.79 56.36 1s4e n ASP 316 Cb 0.56 -1.48 0.04 0.00 -0.02 0.00 0.00 41.12 40.23 1s4e n ASP 316 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1s4e h LYS 317 N 7.40 -0.07 -1.05 -1.24 2.10 -1.79 -1.57 116.57 120.35 1s4e h LYS 317 Ca -0.46 0.01 0.28 0.00 -2.00 0.00 0.00 60.65 58.47 1s4e h LYS 317 Cb 1.24 0.02 -0.11 0.00 -0.90 0.00 0.00 32.23 32.48 1s4e h LYS 317 CO 0.93 -0.05 0.66 0.38 -2.00 0.00 0.00 179.45 179.37 1s4e h ASP 318 N -0.08 0.49 -1.52 7.07 -0.00 -1.90 -2.53 116.42 117.96 1s4e h ASP 318 Ca 0.29 0.11 -0.63 0.00 -0.00 0.00 0.00 57.03 56.80 1s4e h ASP 318 Cb 0.54 0.03 -0.38 0.00 -0.00 0.00 0.00 39.33 39.52 1s4e h ASP 318 CO -0.73 0.06 -0.24 2.29 -0.00 0.00 0.00 179.24 180.63 1s4e n LYS 319 N -4.72 3.26 -0.09 4.15 2.85 -0.60 -4.79 118.16 118.22 1s4e n LYS 319 Ca 0.27 -4.18 -0.22 0.00 -1.05 0.00 0.00 58.31 53.13 1s4e n LYS 319 Cb 0.89 -2.26 -0.12 0.00 -0.65 0.00 0.00 35.03 32.89 1s4e n LYS 319 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s4e n ALA 320 N -0.54 1.15 0.18 0.58 0.00 -0.95 -3.10 120.51 117.82 1s4e n ALA 320 Ca 0.44 -0.88 0.02 0.00 0.00 0.00 0.00 53.44 53.02 1s4e n ALA 320 Cb 0.59 -0.26 0.32 0.00 0.00 0.00 0.00 19.45 20.10 1s4e n ALA 320 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1s4e h LYS 321 N -0.36 0.00 -0.31 0.00 5.09 -1.86 -2.50 116.57 116.62 1s4e h LYS 321 Ca -0.54 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.09 1s4e h LYS 321 Cb 1.78 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.10 1s4e h LYS 321 CO -0.14 0.43 -0.26 1.15 -2.09 0.00 0.00 179.45 178.53 1s4e h THR 322 N 0.00 1.30 0.00 0.07 2.02 -1.88 -2.45 112.91 111.96 1s4e h THR 322 Ca -0.00 -1.42 -0.19 0.00 0.77 0.00 0.00 66.41 65.57 1s4e h THR 322 Cb 0.77 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1s4e h THR 322 CO 0.06 0.46 -1.02 0.40 0.37 0.00 0.00 175.52 175.79 1s4e h ILE 323 N 0.48 1.21 0.27 3.11 2.04 -1.59 -3.31 117.51 119.73 1s4e h ILE 323 Ca 0.05 -2.82 -0.01 0.00 1.00 0.00 0.00 64.86 63.08 1s4e h ILE 323 Cb 0.83 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1s4e h ILE 323 CO 0.07 0.69 -0.13 1.23 0.00 0.00 0.00 178.15 180.01 1s4e h GLY 324 N 3.30 -0.38 0.18 5.37 0.00 -1.48 -2.87 103.07 107.18 1s4e h GLY 324 Ca -0.07 0.14 0.26 0.00 0.00 0.00 0.00 47.33 47.66 1s4e h GLY 324 CO 0.09 -0.14 0.66 -0.55 0.00 0.00 0.00 176.54 176.61 1s4e h ASP 325 N -0.88 0.00 0.59 0.19 3.32 -1.57 -1.03 116.42 117.04 1s4e h ASP 325 Ca -0.04 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 1s4e h ASP 325 Cb 0.51 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1s4e h ASP 325 CO 0.06 0.00 -1.57 0.00 -1.72 0.00 0.00 179.24 176.01 1s4e h ALA 326 N 1.51 0.69 -0.40 3.45 0.00 -1.64 -1.95 119.26 120.90 1s4e h ALA 326 Ca 0.42 -1.36 -0.14 0.00 0.00 0.00 0.00 54.91 53.84 1s4e h ALA 326 Cb 1.74 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1s4e h ALA 326 CO -0.00 1.52 -0.29 0.82 0.00 0.00 0.00 179.25 181.29 1s4e h ILE 327 N 0.00 1.27 -0.18 0.00 2.04 -0.99 -3.09 117.51 116.57 1s4e h ILE 327 Ca -0.23 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1s4e h ILE 327 Cb 1.97 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1s4e h ILE 327 CO 0.09 0.49 -0.09 0.25 0.00 0.00 0.00 178.15 178.88 1s4e h LEU 328 N 0.74 0.39 -1.35 1.44 7.12 -1.37 0.28 115.31 122.56 1s4e h LEU 328 Ca 0.08 -0.42 0.17 0.00 0.13 0.00 0.00 57.88 57.84 1s4e h LEU 328 Cb 0.85 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.80 1s4e h LEU 328 CO 0.07 0.72 0.58 -0.09 -0.13 0.00 0.00 178.44 179.60 1s4e h ARG 329 N 0.06 0.57 0.11 1.25 9.65 -1.42 -2.05 114.38 122.53 1s4e h ARG 329 Ca 0.04 -0.03 -0.33 0.00 -1.10 0.00 0.00 59.98 58.56 1s4e h ARG 329 Cb 0.58 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1s4e h ARG 329 CO 0.03 0.37 -1.76 1.49 2.80 0.00 0.00 179.97 182.90 1s4e h GLU 330 N 0.58 0.23 0.38 0.20 4.81 -1.43 -3.26 114.58 116.09 1s4e h GLU 330 Ca 0.46 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1s4e h GLU 330 Cb 0.90 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1s4e h GLU 330 CO -0.21 1.19 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.92 1s4e h TYR 331 N -0.17 -1.16 -0.13 0.92 3.20 -0.26 -2.86 116.97 116.51 1s4e h TYR 331 Ca -0.39 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.53 1s4e h TYR 331 Cb 1.88 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 40.60 1s4e h TYR 331 CO 0.09 -0.57 0.15 -0.07 -1.64 0.00 0.00 178.16 176.12 1s4e h LEU 332 N -0.83 0.00 -1.06 2.82 4.07 -1.54 0.41 115.31 119.18 1s4e h LEU 332 Ca -0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1s4e h LEU 332 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1s4e h LEU 332 CO -0.09 0.00 -0.39 0.00 -1.08 0.00 0.00 178.44 176.88 1s4e h ALA 333 N 1.82 1.21 0.00 1.53 0.00 -1.55 -3.33 119.26 118.95 1s4e h ALA 333 Ca 0.06 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 1s4e h ALA 333 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1s4e h ALA 333 CO -0.00 0.55 -1.99 1.17 0.00 0.00 0.00 179.25 178.97 1s4e n LYS 334 N -4.05 0.66 -4.18 0.00 4.81 0.03 -5.00 118.16 110.43 1s4e n LYS 334 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.27 1s4e n LYS 334 Cb 0.45 -1.60 -0.11 0.00 0.02 0.00 0.00 35.03 33.79 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 1.13 -2.44 5.64 0.40 -0.59 -5.05 117.98 114.16 1s4e s PHE 335 Ca -0.07 -0.59 0.22 0.00 -0.60 0.00 0.00 56.93 55.89 1s4e s PHE 335 Cb 0.09 -0.62 0.59 0.00 0.51 0.00 0.00 43.02 43.59 1s4e s PHE 335 CO 0.85 0.04 1.48 -1.13 0.70 0.00 0.00 175.22 177.15 1s4e n SER 336 N 0.75 2.46 -4.77 1.36 3.41 -1.26 -4.46 113.62 111.11 1s4e n SER 336 Ca -0.17 -1.83 -0.30 0.00 -0.26 0.00 0.00 58.87 56.30 1s4e n SER 336 Cb 0.57 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.71 2.66 -1.12 7.33 0.23 -1.26 -4.96 118.94 120.11 1s4e s TRP 337 Ca 0.35 1.27 -0.08 0.00 -2.03 0.00 0.00 56.10 55.61 1s4e s TRP 337 Cb 0.20 -3.09 0.28 0.00 0.03 0.00 0.00 33.47 30.88 1s4e s TRP 337 CO 0.29 -1.91 1.23 0.36 0.96 0.00 0.00 176.95 177.87 1s4e n LYS 338 N -3.56 3.74 -2.05 4.98 -0.00 -1.26 -4.94 118.16 115.08 1s4e n LYS 338 Ca 0.07 -4.43 -0.32 0.00 -0.00 0.00 0.00 58.31 53.64 1s4e n LYS 338 Cb 0.55 -2.58 -0.00 0.00 -0.00 0.00 0.00 35.03 33.00 1s4e n LYS 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s4e s ALA 339 N -1.43 3.01 -0.07 0.58 0.00 -1.26 -4.40 121.76 118.18 1s4e s ALA 339 Ca 0.32 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1s4e s ALA 339 Cb -0.06 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1s4e s ALA 339 CO -0.03 -0.59 0.33 0.15 0.00 0.00 0.00 175.76 175.62 1s4e s LYS 340 N -4.66 0.54 0.23 0.00 3.01 -1.06 -5.01 119.74 112.80 1s4e s LYS 340 Ca 0.58 0.16 0.11 0.00 -1.01 0.00 0.00 55.97 55.81 1s4e s LYS 340 Cb -0.11 0.25 -0.05 0.00 -1.01 0.00 0.00 37.83 36.91 1s4e s LYS 340 CO 0.44 -0.12 -0.20 1.52 0.51 0.00 0.00 175.35 177.51 1s4e s TYR 341 N -0.55 2.35 -0.02 3.18 -0.85 -1.26 -0.47 117.35 119.73 1s4e s TYR 341 Ca -0.07 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1s4e s TYR 341 Cb -0.04 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.21 1s4e s TYR 341 CO 0.02 0.60 -0.06 -0.06 -1.52 0.00 0.00 175.55 174.54 1s4e s PHE 342 N -2.06 0.63 -0.23 -3.49 0.40 -0.24 -4.98 117.98 108.01 1s4e s PHE 342 Ca 0.26 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.27 1s4e s PHE 342 Cb -0.07 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1s4e s PHE 342 CO 0.13 -0.07 0.51 0.08 0.70 0.00 0.00 175.22 176.57 1s4e s VAL 343 N 0.23 5.10 -0.06 -0.44 1.01 -1.26 -1.09 120.40 123.88 1s4e s VAL 343 Ca -0.03 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1s4e s VAL 343 Cb -0.07 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1s4e s VAL 343 CO -0.00 0.14 -0.19 0.54 0.00 0.00 0.00 175.10 175.59 1s4e s VAL 344 N 1.94 1.59 -0.02 2.92 0.11 -0.76 -5.02 120.40 121.16 1s4e s VAL 344 Ca 0.22 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1s4e s VAL 344 Cb -0.15 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 1s4e s VAL 344 CO 0.09 0.45 0.18 -1.59 -3.33 0.00 0.00 175.10 170.91 1s4e s LYS 345 N 0.23 3.44 0.58 1.54 -2.85 -1.26 -3.37 119.74 118.06 1s4e s LYS 345 Ca -0.10 -0.30 -0.19 0.00 -1.00 0.00 0.00 55.97 54.38 1s4e s LYS 345 Cb -0.14 -3.11 -0.04 0.00 -2.06 0.00 0.00 37.83 32.48 1s4e s LYS 345 CO 0.04 0.68 1.17 -2.14 0.10 0.00 0.00 175.35 175.21 1s4e s PRO 346 N -1.86 3.08 0.06 1.78 0.02 -1.26 -2.71 135.00 134.12 1s4e s PRO 346 Ca 0.26 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 62.94 1s4e s PRO 346 Cb -0.13 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1s4e s PRO 346 CO 0.17 -1.09 0.07 0.45 -0.33 0.00 0.00 177.00 176.28 1s4e s SER 347 N -1.76 0.29 0.74 2.53 0.15 0.35 -4.35 113.70 111.64 1s4e s SER 347 Ca 0.75 -0.76 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1s4e s SER 347 Cb -0.27 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1s4e s SER 347 CO 0.32 -0.61 1.17 -1.81 1.20 0.00 0.00 173.24 173.50 1s4e s ASP 348 N -2.67 4.24 0.99 5.45 1.01 -1.26 -2.47 116.67 121.96 1s4e s ASP 348 Ca 0.03 2.22 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1s4e s ASP 348 Cb 0.04 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.50 1s4e s ASP 348 CO -0.09 -2.22 0.58 0.61 0.21 0.00 0.00 175.17 174.26 1s4e n GLY 349 N 0.07 -1.25 3.64 0.21 0.00 -0.25 -4.72 105.19 102.88 1s4e n GLY 349 Ca 0.12 -1.69 -0.61 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.79 0.05 -3.23 1.61 0.24 -0.58 -4.81 118.33 108.81 1s4e n VAL 350 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1s4e n VAL 350 Cb 0.25 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 3.01 4.11 0.53 7.63 0.00 -0.91 -4.99 105.19 114.56 1s4e n GLY 351 Ca 0.25 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.97 1s4e n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70