#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5x s THR 6 N 0.00 5.23 0.43 1.09 2.01 -1.26 -5.00 115.64 118.13 2a5x s THR 6 Ca 0.00 0.78 -0.22 0.00 0.31 0.00 0.00 61.69 62.55 2a5x s THR 6 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2a5x s THR 6 CO 0.00 0.37 1.03 0.00 -0.69 0.00 0.00 174.62 175.33 2a5x s ALA 7 N 0.42 3.01 0.11 7.40 0.00 -1.26 -4.24 121.76 127.19 2a5x s ALA 7 Ca 0.22 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2a5x s ALA 7 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2a5x s ALA 7 CO 0.08 -0.18 0.25 -0.51 0.00 0.00 0.00 175.76 175.40 2a5x s LEU 8 N -3.00 4.35 -0.12 0.00 1.43 0.46 -1.95 118.68 119.84 2a5x s LEU 8 Ca 0.61 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2a5x s LEU 8 Cb -0.18 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.14 2a5x s LEU 8 CO 0.22 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 176.14 2a5x s VAL 9 N -1.64 1.05 -0.19 -1.59 1.01 0.06 -1.22 120.40 117.88 2a5x s VAL 9 Ca 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2a5x s VAL 9 Cb -0.12 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.20 2a5x s VAL 9 CO 0.28 0.33 -0.10 0.00 0.00 0.00 0.00 175.10 175.61 2a5x s ASP 11 N 1.44 5.45 -0.35 0.00 2.15 0.99 -2.79 116.67 123.56 2a5x s ASP 11 Ca 0.00 -1.51 -0.22 0.00 0.43 0.00 0.00 52.55 51.26 2a5x s ASP 11 Cb -0.15 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 2a5x s ASP 11 CO -0.09 -0.48 0.70 0.20 -0.17 0.00 0.00 175.17 175.34 2a5x s ASN 12 N 1.87 6.49 0.38 -0.34 0.01 -1.26 -0.68 114.94 121.42 2a5x s ASN 12 Ca 0.02 0.28 0.08 0.00 -0.71 0.00 0.00 52.86 52.53 2a5x s ASN 12 Cb -0.22 -2.36 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 2a5x s ASN 12 CO 0.01 -0.64 0.06 -0.83 -1.51 0.00 0.00 177.10 174.20 2a5x s GLY 13 N 1.78 2.26 0.47 0.66 0.00 -0.84 -4.90 107.32 106.75 2a5x s GLY 13 Ca 0.28 -2.09 0.15 0.00 0.00 0.00 0.00 44.72 43.05 2a5x s GLY 13 CO 0.15 -1.95 2.05 1.76 0.00 0.00 0.00 173.10 175.11 2a5x h SER 14 N 1.68 0.23 0.00 1.64 0.02 -1.91 -3.34 113.55 111.87 2a5x h SER 14 Ca -0.43 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2a5x h SER 14 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2a5x h SER 14 CO 0.71 0.15 -0.97 0.61 -1.14 0.00 0.00 176.83 176.19 2a5x n GLY 15 N -1.53 0.00 3.12 -3.77 0.00 -1.26 -4.65 105.19 97.10 2a5x n GLY 15 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2a5x n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5x s LEU 16 N -4.64 1.96 -0.23 0.99 1.43 -1.25 -0.81 118.68 116.13 2a5x s LEU 16 Ca 0.00 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2a5x s LEU 16 Cb 0.00 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2a5x s LEU 16 CO 0.00 0.17 0.34 -0.69 0.23 0.00 0.00 176.35 176.40 2a5x s VAL 17 N -0.17 5.22 -0.34 -1.59 1.01 0.16 -1.98 120.40 122.71 2a5x s VAL 17 Ca 0.02 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.46 2a5x s VAL 17 Cb -0.08 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2a5x s VAL 17 CO 0.00 0.24 0.16 -0.54 0.00 0.00 0.00 175.10 174.97 2a5x s LYS 18 N 1.48 2.93 0.06 2.72 3.01 0.15 -1.71 119.74 128.38 2a5x s LYS 18 Ca 0.15 -0.99 0.04 0.00 -1.01 0.00 0.00 55.97 54.16 2a5x s LYS 18 Cb -0.15 -3.60 -0.03 0.00 -1.01 0.00 0.00 37.83 33.04 2a5x s LYS 18 CO 0.08 -0.60 -0.11 0.00 0.51 0.00 0.00 175.35 175.23 2a5x s ALA 19 N 1.53 0.90 0.00 5.17 0.00 0.54 -0.01 121.76 129.90 2a5x s ALA 19 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2a5x s ALA 19 Cb -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2a5x s ALA 19 CO 0.05 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2a5x n GLY 20 N 1.33 -0.57 3.36 0.00 0.00 -0.75 -1.43 105.19 107.14 2a5x n GLY 20 Ca -0.22 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 2a5x n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a5x s PHE 21 N -3.12 2.73 0.28 1.61 0.40 -1.26 -0.76 117.98 117.86 2a5x s PHE 21 Ca 0.00 -0.61 -0.29 0.00 -0.60 0.00 0.00 56.93 55.43 2a5x s PHE 21 Cb 0.00 -1.77 -0.14 0.00 0.51 0.00 0.00 43.02 41.63 2a5x s PHE 21 CO 0.00 -0.16 1.15 0.00 0.70 0.00 0.00 175.22 176.91 2a5x n ALA 22 N 3.24 0.23 0.00 5.36 0.00 -0.82 -2.29 120.51 126.23 2a5x n ALA 22 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2a5x n ALA 22 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2a5x n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5x n GLY 23 N 1.36 0.07 3.90 0.00 0.00 -1.23 -4.78 105.19 104.51 2a5x n GLY 23 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2a5x n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a5x s ASP 24 N -2.11 6.47 0.24 1.61 1.11 -0.97 -5.01 116.67 118.01 2a5x s ASP 24 Ca 0.00 0.54 0.25 0.00 0.18 0.00 0.00 52.55 53.52 2a5x s ASP 24 Cb 0.00 -2.07 0.87 0.00 1.07 0.00 0.00 42.92 42.79 2a5x s ASP 24 CO 0.00 0.07 1.75 0.44 1.18 0.00 0.00 175.17 178.61 2a5x h ASP 25 N 2.85 0.00 -5.02 0.27 5.19 -1.98 -3.47 116.42 114.27 2a5x h ASP 25 Ca -0.46 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.87 2a5x h ASP 25 Cb 1.16 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.50 2a5x h ASP 25 CO 0.73 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.75 2a5x s ALA 26 N -3.20 -1.07 0.35 3.45 0.00 -1.26 -4.90 121.76 115.13 2a5x s ALA 26 Ca 0.08 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 2a5x s ALA 26 Cb 0.11 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.38 2a5x s ALA 26 CO 0.52 -0.41 1.31 -1.25 0.00 0.00 0.00 175.76 175.94 2a5x s PRO 27 N -2.08 4.29 0.45 0.00 0.04 -1.26 -4.78 135.00 131.66 2a5x s PRO 27 Ca -0.08 2.22 0.26 0.00 0.04 0.00 0.00 61.00 63.44 2a5x s PRO 27 Cb -0.02 -3.02 0.69 0.00 0.04 0.00 0.00 34.50 32.20 2a5x s PRO 27 CO 0.01 -0.25 1.73 0.00 0.04 0.00 0.00 177.00 178.53 2a5x h ARG 28 N 3.25 0.00 -3.27 4.56 3.08 -1.69 -3.45 114.38 116.86 2a5x h ARG 28 Ca -0.49 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.25 2a5x h ARG 28 Cb 1.23 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.92 2a5x h ARG 28 CO 0.65 0.00 -0.68 0.00 -1.07 0.00 0.00 179.97 178.87 2a5x s ALA 29 N -3.34 -0.01 -0.10 0.04 0.00 -0.51 -5.04 121.76 112.80 2a5x s ALA 29 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2a5x s ALA 29 Cb 0.07 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2a5x s ALA 29 CO 0.62 -0.38 -0.09 0.08 0.00 0.00 0.00 175.76 176.00 2a5x s VAL 30 N 1.81 1.03 0.13 0.00 1.01 -1.26 -0.34 120.40 122.79 2a5x s VAL 30 Ca -0.01 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2a5x s VAL 30 Cb -0.12 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2a5x s VAL 30 CO -0.04 0.36 0.38 0.72 0.00 0.00 0.00 175.10 176.52 2a5x s PHE 31 N 1.41 -0.11 0.33 5.22 -0.71 -0.69 -4.98 117.98 118.44 2a5x s PHE 31 Ca -0.01 -0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 55.39 2a5x s PHE 31 Cb -0.13 0.22 -0.09 0.00 -1.21 0.00 0.00 43.02 41.80 2a5x s PHE 31 CO -0.05 -0.71 1.07 -1.25 -1.34 0.00 0.00 175.22 172.93 2a5x s PRO 32 N -3.83 4.44 -1.26 1.99 0.04 -1.26 0.39 135.00 135.51 2a5x s PRO 32 Ca 0.05 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2a5x s PRO 32 Cb 0.02 -2.91 0.15 0.00 0.04 0.00 0.00 34.50 31.80 2a5x s PRO 32 CO -0.10 0.08 1.68 0.43 0.04 0.00 0.00 177.00 179.13 2a5x n SER 33 N 0.65 5.05 -4.04 6.66 7.64 0.01 -4.72 113.62 124.87 2a5x n SER 33 Ca 0.02 -3.01 -0.14 0.00 1.01 0.00 0.00 58.87 56.75 2a5x n SER 33 Cb 0.47 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 61.98 2a5x n SER 33 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2a5x s ILE 34 N 1.56 0.52 0.02 0.44 -4.36 -1.26 -4.17 121.20 113.95 2a5x s ILE 34 Ca 0.43 -0.84 0.08 0.00 -0.26 0.00 0.00 60.65 60.07 2a5x s ILE 34 Cb 0.04 -0.55 -0.02 0.00 1.25 0.00 0.00 42.46 43.17 2a5x s ILE 34 CO 0.01 -0.23 -0.26 -0.69 0.24 0.00 0.00 174.94 174.01 2a5x s VAL 35 N -1.01 2.04 -0.08 8.37 1.01 -0.62 -4.97 120.40 125.13 2a5x s VAL 35 Ca -0.06 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.68 2a5x s VAL 35 Cb -0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2a5x s VAL 35 CO 0.00 0.45 -0.08 -0.83 0.00 0.00 0.00 175.10 174.64 2a5x s GLY 36 N -0.94 1.67 -0.18 4.51 0.00 -1.26 -0.40 107.32 110.71 2a5x s GLY 36 Ca 0.11 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 2a5x s GLY 36 CO 0.01 -0.58 0.15 0.54 0.00 0.00 0.00 173.10 173.22 2a5x n ARG 37 N 2.47 0.69 -1.78 2.90 3.00 -1.26 -5.01 116.66 117.67 2a5x n ARG 37 Ca -0.18 0.30 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 2a5x n ARG 37 Cb 0.53 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.33 2a5x n ARG 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2a5x n THR 66 N -3.68 -5.06 -4.44 0.55 -2.24 -1.26 -5.17 114.28 92.98 2a5x n THR 66 Ca -0.37 2.34 -0.34 0.00 -2.27 0.00 0.00 64.05 63.41 2a5x n THR 66 Cb 0.95 -3.11 -0.12 0.00 -2.10 0.00 0.00 70.33 65.96 2a5x n THR 66 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a5x s LEU 67 N -2.62 3.24 -0.10 3.22 1.43 -1.26 -5.00 118.68 117.59 2a5x s LEU 67 Ca 0.00 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2a5x s LEU 67 Cb 0.00 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2a5x s LEU 67 CO 0.00 0.20 0.01 -0.54 0.23 0.00 0.00 176.35 176.25 2a5x s LYS 68 N 0.16 3.14 -0.48 1.70 -0.14 0.46 -4.99 119.74 119.60 2a5x s LYS 68 Ca -0.02 -0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.03 2a5x s LYS 68 Cb -0.14 -2.86 0.06 0.00 -1.68 0.00 0.00 37.83 33.21 2a5x s LYS 68 CO 0.03 0.64 0.48 0.71 -0.76 0.00 0.00 175.35 176.45 2a5x s TYR 69 N -0.71 3.17 -0.22 3.18 1.51 -1.26 -1.59 117.35 121.43 2a5x s TYR 69 Ca 0.11 -0.71 0.26 0.00 -1.01 0.00 0.00 57.07 55.72 2a5x s TYR 69 Cb -0.12 -3.24 1.22 0.00 -0.11 0.00 0.00 41.96 39.71 2a5x s TYR 69 CO 0.02 -0.86 1.80 -1.35 -1.11 0.00 0.00 175.55 174.05 2a5x h PRO 70 N 8.83 0.00 -4.87 -1.71 0.11 -1.90 -3.40 132.00 129.05 2a5x h PRO 70 Ca -0.28 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 2a5x h PRO 70 Cb 1.11 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.89 2a5x h PRO 70 CO 0.89 0.00 -0.74 0.42 -0.21 0.00 0.00 178.00 178.37 2a5x s ILE 71 N -3.51 2.88 -0.26 4.15 1.01 -1.26 -1.36 121.20 122.86 2a5x s ILE 71 Ca 0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 2a5x s ILE 71 Cb 0.09 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 2a5x s ILE 71 CO 0.36 0.11 0.03 -1.61 0.00 0.00 0.00 174.94 173.83 2a5x s GLU 72 N 1.30 3.30 -1.64 2.79 2.02 -0.18 -4.57 118.70 121.71 2a5x s GLU 72 Ca -0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 2a5x s GLU 72 Cb -0.18 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2a5x s GLU 72 CO -0.04 -0.30 0.39 0.72 0.02 0.00 0.00 175.26 176.05 2a5x n HIS 73 N 4.84 -1.61 -0.02 1.61 8.25 -1.26 -2.39 115.22 124.64 2a5x n HIS 73 Ca -0.16 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2a5x n HIS 73 Cb 0.50 -4.32 0.00 0.00 1.12 0.00 0.00 29.99 27.29 2a5x n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a5x n GLY 74 N -1.34 1.05 3.66 -1.41 0.00 -1.26 -4.66 105.19 101.22 2a5x n GLY 74 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2a5x n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5x s ILE 75 N -2.38 4.57 0.02 -0.61 -1.09 -1.01 -4.04 121.20 116.66 2a5x s ILE 75 Ca 0.00 -0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 57.99 2a5x s ILE 75 Cb 0.00 -3.00 -0.06 0.00 -1.58 0.00 0.00 42.46 37.82 2a5x s ILE 75 CO 0.00 0.53 1.41 -0.63 -1.23 0.00 0.00 174.94 175.02 2a5x s ILE 76 N -0.20 3.63 0.00 2.92 1.01 -1.26 -1.02 121.20 126.29 2a5x s ILE 76 Ca 0.07 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2a5x s ILE 76 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2a5x s ILE 76 CO 0.02 0.01 0.00 0.35 0.00 0.00 0.00 174.94 175.31 2a5x n THR 77 N 4.58 0.00 -3.98 2.92 -2.24 -0.46 -4.95 114.28 110.14 2a5x n THR 77 Ca 0.13 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2a5x n THR 77 Cb 0.43 0.86 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 2a5x n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2a5x s ASN 78 N -1.08 2.97 0.01 3.42 3.84 -1.20 -5.04 114.94 117.87 2a5x s ASN 78 Ca 0.00 -0.67 -0.11 0.00 0.21 0.00 0.00 52.86 52.29 2a5x s ASN 78 Cb 0.00 -1.14 -0.32 0.00 -0.55 0.00 0.00 41.25 39.24 2a5x s ASN 78 CO 0.00 -0.12 0.91 -0.50 -2.79 0.00 0.00 177.10 174.60 2a5x h TRP 79 N 8.04 0.75 -0.80 0.43 4.06 -1.92 -2.22 115.95 124.29 2a5x h TRP 79 Ca -0.31 -0.55 0.02 0.00 2.06 0.00 0.00 58.89 60.11 2a5x h TRP 79 Cb 1.12 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.20 2a5x h TRP 79 CO 0.48 1.52 0.52 -0.44 -3.56 0.00 0.00 178.44 176.97 2a5x h ASP 80 N 0.11 0.89 -0.22 -3.49 3.32 -1.99 -0.63 116.42 114.41 2a5x h ASP 80 Ca -0.26 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 2a5x h ASP 80 Cb 2.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.43 2a5x h ASP 80 CO 0.22 0.63 -0.48 0.44 -1.72 0.00 0.00 179.24 178.33 2a5x h ASP 81 N 1.05 0.87 -0.43 6.45 5.19 -1.99 -2.66 116.42 124.89 2a5x h ASP 81 Ca 0.30 -0.43 -0.07 0.00 -0.62 0.00 0.00 57.03 56.21 2a5x h ASP 81 Cb -0.07 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.17 2a5x h ASP 81 CO -0.08 1.20 0.03 -0.03 -3.12 0.00 0.00 179.24 177.24 2a5x h MET 82 N 0.63 0.82 -1.00 3.56 4.05 -1.12 -2.29 114.93 119.57 2a5x h MET 82 Ca 0.03 -0.21 0.04 0.00 -0.28 0.00 0.00 59.70 59.28 2a5x h MET 82 Cb 1.06 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.70 2a5x h MET 82 CO 0.10 0.80 0.65 0.93 0.23 0.00 0.00 176.91 179.63 2a5x h GLU 83 N 0.77 1.22 -0.59 0.39 5.08 -0.91 -1.18 114.58 119.36 2a5x h GLU 83 Ca 0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2a5x h GLU 83 Cb 0.42 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2a5x h GLU 83 CO 0.02 0.81 -0.01 0.87 -1.00 0.00 0.00 179.01 179.69 2a5x h LYS 84 N 1.26 1.05 -0.45 2.33 1.57 -1.10 0.63 116.57 121.86 2a5x h LYS 84 Ca 0.40 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2a5x h LYS 84 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2a5x h LYS 84 CO -0.13 1.04 0.09 0.82 -0.57 0.00 0.00 179.45 180.71 2a5x h ILE 85 N 0.95 1.24 -0.03 1.86 2.04 -1.08 0.10 117.51 122.58 2a5x h ILE 85 Ca 0.17 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 2a5x h ILE 85 Cb 0.57 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2a5x h ILE 85 CO 0.03 0.30 -0.50 -0.50 0.00 0.00 0.00 178.15 177.49 2a5x h TRP 86 N 0.60 0.09 -0.32 1.37 6.55 -1.08 -0.33 115.95 122.82 2a5x h TRP 86 Ca 0.14 -0.03 -0.09 0.00 0.95 0.00 0.00 58.89 59.86 2a5x h TRP 86 Cb 0.35 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.61 2a5x h TRP 86 CO 0.02 0.56 -0.17 1.25 -1.05 0.00 0.00 178.44 179.05 2a5x h HIS 87 N 0.06 0.65 -0.32 0.49 2.76 -0.50 -2.08 115.15 116.21 2a5x h HIS 87 Ca -0.00 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 57.87 2a5x h HIS 87 Cb 0.90 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 2a5x h HIS 87 CO 0.01 0.73 -0.49 1.25 -1.30 0.00 0.00 177.93 178.12 2a5x h HIS 88 N 0.53 1.11 -0.10 5.26 -0.00 -0.40 -2.23 115.15 119.32 2a5x h HIS 88 Ca 0.09 -0.37 0.02 0.00 -0.00 0.00 0.00 60.37 60.11 2a5x h HIS 88 Cb 0.60 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 2a5x h HIS 88 CO 0.02 1.20 -0.04 1.15 -0.00 0.00 0.00 177.93 180.27 2a5x h THR 89 N 0.70 0.87 0.41 6.26 2.02 -0.79 -0.31 112.91 122.06 2a5x h THR 89 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2a5x h THR 89 Cb 1.10 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2a5x h THR 89 CO 0.11 0.00 -0.20 -0.26 0.37 0.00 0.00 175.52 175.55 2a5x h PHE 90 N -0.02 -0.51 0.00 3.16 0.04 -1.39 0.09 116.94 118.31 2a5x h PHE 90 Ca 0.05 -0.01 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 2a5x h PHE 90 Cb 0.10 0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 2a5x h PHE 90 CO -0.16 -0.18 -1.48 1.88 -0.60 0.00 0.00 178.31 177.77 2a5x h TYR 91 N -0.93 0.00 0.00 -0.55 0.05 -1.46 0.14 116.97 114.22 2a5x h TYR 91 Ca -0.06 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.41 2a5x h TYR 91 Cb 0.55 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.25 2a5x h TYR 91 CO 0.02 0.95 -2.02 0.09 -1.05 0.00 0.00 178.16 176.15 2a5x n ASN 92 N -3.11 1.62 -0.01 3.88 4.13 -0.43 -4.23 115.26 117.12 2a5x n ASN 92 Ca -0.12 0.28 -0.09 0.00 1.68 0.00 0.00 54.58 56.33 2a5x n ASN 92 Cb 1.00 -0.66 -0.07 0.00 -1.54 0.00 0.00 39.78 38.50 2a5x n ASN 92 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2a5x h GLU 93 N -0.81 -0.10 0.01 3.52 4.39 -1.16 -3.39 114.58 117.04 2a5x h GLU 93 Ca -0.48 0.01 -0.28 0.00 0.34 0.00 0.00 59.36 58.95 2a5x h GLU 93 Cb 1.38 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.01 2a5x h GLU 93 CO -0.29 0.38 -1.61 -0.07 -1.16 0.00 0.00 179.01 176.26 2a5x h LEU 94 N -0.94 0.02 -2.35 1.33 3.38 -1.10 -3.47 115.31 112.17 2a5x h LEU 94 Ca -0.01 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2a5x h LEU 94 Cb 0.53 -0.01 0.15 0.00 0.09 0.00 0.00 40.66 41.42 2a5x h LEU 94 CO 0.02 1.03 -0.67 0.54 0.09 0.00 0.00 178.44 179.45 2a5x n ARG 95 N -3.11 -2.66 -4.08 1.13 1.74 0.36 -5.01 116.66 105.04 2a5x n ARG 95 Ca -0.15 0.69 -0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2a5x n ARG 95 Cb 1.04 -5.03 -0.11 0.00 -1.02 0.00 0.00 32.46 27.33 2a5x n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2a5x s VAL 96 N -3.31 0.47 -0.32 1.55 -7.23 -0.40 -5.02 120.40 106.15 2a5x s VAL 96 Ca 0.28 -1.32 -0.24 0.00 -1.81 0.00 0.00 61.98 58.89 2a5x s VAL 96 Cb -0.04 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.03 2a5x s VAL 96 CO 0.59 -0.57 0.83 0.00 -0.31 0.00 0.00 175.10 175.64 2a5x s ALA 97 N -2.14 3.50 0.45 1.32 0.00 -1.26 -4.36 121.76 119.27 2a5x s ALA 97 Ca -0.04 -0.42 0.24 0.00 0.00 0.00 0.00 51.96 51.73 2a5x s ALA 97 Cb -0.05 -3.37 1.25 0.00 0.00 0.00 0.00 23.12 20.94 2a5x s ALA 97 CO -0.02 -1.32 1.80 -1.00 0.00 0.00 0.00 175.76 175.23 2a5x h PRO 98 N 8.21 0.25 0.00 0.00 0.13 -1.92 -1.45 132.00 137.22 2a5x h PRO 98 Ca -0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2a5x h PRO 98 Cb 1.09 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2a5x h PRO 98 CO 0.91 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 178.00 2a5x n GLU 99 N -4.47 0.70 0.00 0.86 0.00 -1.25 -2.97 120.64 113.50 2a5x n GLU 99 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.43 2a5x n GLU 99 Cb 0.95 -1.35 -0.01 0.00 0.00 0.00 0.00 31.44 31.02 2a5x n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2a5x n GLU 100 N -0.85 3.14 -4.05 3.44 1.02 -0.54 -4.27 120.64 118.52 2a5x n GLU 100 Ca 0.12 -0.34 -0.23 0.00 -0.02 0.00 0.00 57.16 56.69 2a5x n GLU 100 Cb 0.05 -0.90 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 2a5x n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2a5x s HIS 101 N -1.14 1.00 0.21 -0.32 3.76 -1.16 -2.95 115.29 114.68 2a5x s HIS 101 Ca 0.04 -0.37 -0.32 0.00 -0.15 0.00 0.00 55.06 54.27 2a5x s HIS 101 Cb 0.05 -0.89 -0.15 0.00 1.11 0.00 0.00 32.58 32.70 2a5x s HIS 101 CO 0.17 -0.32 1.25 -2.30 -0.85 0.00 0.00 174.74 172.70 2a5x n PRO 102 N 4.53 1.54 -4.03 8.40 -0.02 -1.26 -4.42 135.00 139.73 2a5x n PRO 102 Ca -0.17 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2a5x n PRO 102 Cb 0.51 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 2a5x n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2a5x s THR 103 N -0.21 1.70 -0.30 3.45 2.01 -0.67 -0.41 115.64 121.22 2a5x s THR 103 Ca 0.70 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 2a5x s THR 103 Cb -0.76 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2a5x s THR 103 CO 0.52 0.38 0.44 -0.22 -0.69 0.00 0.00 174.62 175.05 2a5x s LEU 104 N 1.41 4.17 0.37 4.42 2.96 -0.36 -2.78 118.68 128.88 2a5x s LEU 104 Ca 0.03 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2a5x s LEU 104 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2a5x s LEU 104 CO -0.10 -0.30 0.35 -0.76 -1.32 0.00 0.00 176.35 174.21 2a5x s LEU 105 N 2.20 3.54 0.12 -0.68 1.43 -0.37 -0.61 118.68 124.32 2a5x s LEU 105 Ca 0.17 -0.57 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2a5x s LEU 105 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2a5x s LEU 105 CO 0.11 -0.49 -0.21 0.42 0.23 0.00 0.00 176.35 176.40 2a5x s THR 106 N -2.36 1.83 0.04 5.49 -4.23 -1.12 -1.15 115.64 114.15 2a5x s THR 106 Ca 0.45 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 2a5x s THR 106 Cb -0.05 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2a5x s THR 106 CO 0.28 -0.08 -0.09 -1.83 -0.54 0.00 0.00 174.62 172.35 2a5x s GLU 107 N -2.10 0.60 0.53 3.99 -1.05 0.15 -4.60 118.70 116.22 2a5x s GLU 107 Ca 0.09 -0.75 -0.22 0.00 -0.15 0.00 0.00 54.97 53.94 2a5x s GLU 107 Cb -0.09 -0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 33.10 2a5x s GLU 107 CO 0.05 0.09 1.32 0.00 0.95 0.00 0.00 175.26 177.67 2a5x n ALA 108 N 1.57 1.45 -1.72 -0.84 0.00 -1.26 -1.68 120.51 118.04 2a5x n ALA 108 Ca -0.21 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2a5x n ALA 108 Cb 0.55 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.68 2a5x n ALA 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2a5x n PRO 109 N -0.80 2.14 -0.98 0.00 -0.02 -1.26 -2.03 135.00 132.05 2a5x n PRO 109 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2a5x n PRO 109 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2a5x n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2a5x n LEU 110 N 0.32 0.53 -4.68 2.45 4.77 -1.26 -4.98 117.00 114.14 2a5x n LEU 110 Ca 0.05 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.50 2a5x n LEU 110 Cb 0.39 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 2a5x n LEU 110 CO 0.61 -0.51 1.31 -3.20 -1.33 0.00 0.00 177.39 174.27 2a5x n ASN 111 N -0.49 2.69 -4.66 -1.43 5.15 -0.86 -4.87 115.26 110.79 2a5x n ASN 111 Ca 0.00 1.05 -0.43 0.00 -0.60 0.00 0.00 54.58 54.60 2a5x n ASN 111 Cb 0.24 -1.24 -0.01 0.00 -0.53 0.00 0.00 39.78 38.24 2a5x n ASN 111 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2a5x n PRO 112 N 5.26 1.86 -0.25 1.20 -0.02 -1.26 -4.83 135.00 136.95 2a5x n PRO 112 Ca 0.23 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.43 2a5x n PRO 112 Cb 0.20 -2.19 0.19 0.00 -0.02 0.00 0.00 33.50 31.68 2a5x n PRO 112 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2a5x h LYS 113 N 2.29 0.22 -0.93 -0.52 3.64 -2.00 -1.79 116.57 117.48 2a5x h LYS 113 Ca -0.44 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2a5x h LYS 113 Cb 1.30 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2a5x h LYS 113 CO 0.61 0.15 0.61 0.00 -2.27 0.00 0.00 179.45 178.55 2a5x h ALA 114 N 1.65 1.40 -0.11 5.00 0.00 -2.00 -2.15 119.26 123.05 2a5x h ALA 114 Ca 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2a5x h ALA 114 Cb 0.76 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2a5x h ALA 114 CO -0.56 0.51 0.06 -0.97 0.00 0.00 0.00 179.25 178.29 2a5x h ASN 115 N 1.17 0.14 -0.70 0.00 -0.73 -1.70 -2.22 115.58 111.55 2a5x h ASN 115 Ca 0.37 -0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.50 2a5x h ASN 115 Cb 0.01 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 2a5x h ASN 115 CO -0.11 0.21 0.46 -0.09 -0.37 0.00 0.00 177.43 177.53 2a5x h ARG 116 N 0.07 0.69 -0.15 6.67 2.43 -1.10 -1.79 114.38 121.20 2a5x h ARG 116 Ca 0.04 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2a5x h ARG 116 Cb 0.10 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2a5x h ARG 116 CO -0.01 0.46 -0.61 0.93 -1.51 0.00 0.00 179.97 179.23 2a5x h GLU 117 N 0.71 0.68 -0.43 0.20 5.08 -1.26 -2.33 114.58 117.24 2a5x h GLU 117 Ca 0.31 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2a5x h GLU 117 Cb 0.28 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2a5x h GLU 117 CO -0.10 1.15 0.23 -0.22 -1.00 0.00 0.00 179.01 179.07 2a5x h LYS 118 N 0.37 0.60 -0.56 2.33 1.63 -1.10 -0.15 116.57 119.69 2a5x h LYS 118 Ca -0.03 -0.07 0.11 0.00 -0.85 0.00 0.00 60.65 59.80 2a5x h LYS 118 Cb 1.24 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.67 2a5x h LYS 118 CO 0.13 0.48 0.05 0.52 -3.45 0.00 0.00 179.45 177.18 2a5x h MET 119 N 0.56 0.16 -0.25 1.90 2.86 -1.33 -0.64 114.93 118.20 2a5x h MET 119 Ca 0.15 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2a5x h MET 119 Cb 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2a5x h MET 119 CO -0.02 0.11 0.09 1.15 1.06 0.00 0.00 176.91 179.29 2a5x h THR 120 N 0.17 1.18 -0.40 2.22 2.02 -0.94 -1.90 112.91 115.26 2a5x h THR 120 Ca 0.29 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.96 2a5x h THR 120 Cb 0.44 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2a5x h THR 120 CO -0.43 0.19 0.06 -0.61 0.37 0.00 0.00 175.52 175.10 2a5x h GLN 121 N 0.24 0.17 -0.06 6.66 4.15 -0.72 -1.84 115.11 123.72 2a5x h GLN 121 Ca 0.08 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2a5x h GLN 121 Cb 0.21 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2a5x h GLN 121 CO -0.00 0.11 0.03 0.82 -1.93 0.00 0.00 178.83 177.86 2a5x h ILE 122 N 0.18 1.10 -0.28 2.39 2.04 -0.97 -0.90 117.51 121.06 2a5x h ILE 122 Ca 0.20 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2a5x h ILE 122 Cb 0.25 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2a5x h ILE 122 CO -0.27 0.09 -0.11 0.24 0.00 0.00 0.00 178.15 178.09 2a5x h MET 123 N -0.03 -0.06 0.01 2.37 2.86 -1.19 -0.40 114.93 118.50 2a5x h MET 123 Ca 0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 2a5x h MET 123 Cb 0.11 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2a5x h MET 123 CO -0.00 -0.04 -0.90 0.74 1.06 0.00 0.00 176.91 177.77 2a5x h PHE 124 N -0.06 0.15 0.00 -0.22 0.04 -1.28 -1.57 116.94 114.00 2a5x h PHE 124 Ca 0.14 -0.09 -0.24 0.00 2.80 0.00 0.00 57.97 60.58 2a5x h PHE 124 Cb 0.28 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 2a5x h PHE 124 CO -0.31 0.94 -1.90 0.39 -0.60 0.00 0.00 178.31 176.84 2a5x n GLU 125 N -3.57 1.51 -0.01 1.51 1.02 -0.35 -3.20 120.64 117.55 2a5x n GLU 125 Ca -0.02 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2a5x n GLU 125 Cb 0.84 -1.33 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 2a5x n GLU 125 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2a5x h THR 126 N 0.00 1.13 0.00 2.62 2.02 -1.21 -3.41 112.91 114.06 2a5x h THR 126 Ca -0.36 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.44 2a5x h THR 126 Cb 1.74 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 2a5x h THR 126 CO -0.00 0.65 -1.22 0.49 0.37 0.00 0.00 175.52 175.81 2a5x n PHE 127 N -4.06 0.00 -2.90 3.16 3.72 -0.84 -5.00 117.46 111.53 2a5x n PHE 127 Ca -0.23 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.94 2a5x n PHE 127 Cb 0.83 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 39.28 2a5x n PHE 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2a5x n ASN 128 N -1.67 -6.01 -4.77 4.37 3.02 -0.62 -3.98 115.26 105.60 2a5x n ASN 128 Ca 0.02 -0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 53.94 2a5x n ASN 128 Cb 0.38 -4.89 -0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2a5x n ASN 128 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2a5x s VAL 129 N -3.14 2.39 -0.32 2.41 -7.23 -1.00 -3.92 120.40 109.60 2a5x s VAL 129 Ca 0.24 0.38 0.27 0.00 -1.81 0.00 0.00 61.98 61.06 2a5x s VAL 129 Cb -0.11 -3.23 0.33 0.00 0.56 0.00 0.00 36.38 33.93 2a5x s VAL 129 CO 0.30 0.07 1.78 1.55 -0.31 0.00 0.00 175.10 178.50 2a5x h PRO 130 N 2.90 0.00 -2.56 4.82 0.13 -1.75 -3.41 132.00 132.13 2a5x h PRO 130 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2a5x h PRO 130 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2a5x h PRO 130 CO 0.63 0.00 0.39 0.00 -0.23 0.00 0.00 178.00 178.79 2a5x s ALA 131 N -3.36 -1.69 0.17 -0.56 0.00 -1.26 -1.40 121.76 113.66 2a5x s ALA 131 Ca 0.05 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 2a5x s ALA 131 Cb 0.08 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.90 2a5x s ALA 131 CO 0.57 -0.78 1.04 0.00 0.00 0.00 0.00 175.76 176.59 2a5x s MET 132 N -3.39 1.26 0.00 0.00 0.23 0.54 -1.68 119.30 116.27 2a5x s MET 132 Ca 0.05 -0.80 -0.28 0.00 -1.03 0.00 0.00 55.69 53.63 2a5x s MET 132 Cb -0.01 0.36 0.09 0.00 -1.53 0.00 0.00 34.83 33.73 2a5x s MET 132 CO -0.08 -0.59 0.76 -0.47 -2.03 0.00 0.00 175.02 172.62 2a5x s TYR 133 N -2.29 -0.50 -0.17 3.16 5.04 -1.12 0.17 117.35 121.65 2a5x s TYR 133 Ca 0.21 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2a5x s TYR 133 Cb -0.02 0.49 0.03 0.00 0.35 0.00 0.00 41.96 42.81 2a5x s TYR 133 CO 0.05 -0.62 -0.12 0.08 -1.34 0.00 0.00 175.55 173.60 2a5x s VAL 134 N -2.39 1.57 0.08 3.14 1.01 -1.26 -1.23 120.40 121.32 2a5x s VAL 134 Ca -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.24 2a5x s VAL 134 Cb -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2a5x s VAL 134 CO -0.03 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.45 2a5x s ALA 135 N 1.47 3.41 -0.15 5.51 0.00 -0.30 -4.93 121.76 126.77 2a5x s ALA 135 Ca 0.03 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2a5x s ALA 135 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2a5x s ALA 135 CO -0.10 0.72 1.13 0.42 0.00 0.00 0.00 175.76 177.94 2a5x s ILE 136 N -1.34 4.49 0.20 0.00 1.01 -1.26 -0.67 121.20 123.63 2a5x s ILE 136 Ca 0.27 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.60 2a5x s ILE 136 Cb -0.12 -4.16 0.14 0.00 0.01 0.00 0.00 42.46 38.33 2a5x s ILE 136 CO 0.20 -0.10 1.71 1.56 0.00 0.00 0.00 174.94 178.31 2a5x h GLN 137 N 7.61 0.23 0.00 2.79 4.20 -1.66 -2.10 115.11 126.18 2a5x h GLN 137 Ca -0.27 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 2a5x h GLN 137 Cb 1.11 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 2a5x h GLN 137 CO 0.93 0.15 -0.12 0.00 -0.67 0.00 0.00 178.83 179.12 2a5x h ALA 138 N 1.44 1.05 -0.05 3.87 0.00 -1.92 -2.34 119.26 121.31 2a5x h ALA 138 Ca 0.29 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2a5x h ALA 138 Cb 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2a5x h ALA 138 CO -0.38 0.15 -0.67 0.28 0.00 0.00 0.00 179.25 178.63 2a5x h VAL 139 N 0.00 1.36 -0.18 0.00 2.07 -1.78 -2.55 116.25 115.17 2a5x h VAL 139 Ca -0.00 -2.01 0.05 0.00 0.82 0.00 0.00 66.70 65.56 2a5x h VAL 139 Cb 0.57 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 2a5x h VAL 139 CO 0.02 0.60 -0.15 -0.07 0.02 0.00 0.00 177.57 177.99 2a5x h LEU 140 N 0.14 -0.49 -0.59 2.57 3.38 -1.23 -0.18 115.31 118.91 2a5x h LEU 140 Ca -0.07 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2a5x h LEU 140 Cb 1.34 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 42.23 2a5x h LEU 140 CO 0.13 -0.20 0.01 0.28 0.09 0.00 0.00 178.44 178.76 2a5x h SER 141 N -0.17 -0.24 -0.44 -0.43 0.02 -1.49 -0.01 113.55 110.80 2a5x h SER 141 Ca 0.11 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 2a5x h SER 141 Cb 0.33 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 2a5x h SER 141 CO -0.28 -0.10 0.08 0.25 -1.14 0.00 0.00 176.83 175.64 2a5x h LEU 142 N 0.13 -0.02 -1.11 5.07 5.85 -0.93 -2.49 115.31 121.81 2a5x h LEU 142 Ca 0.31 0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.12 2a5x h LEU 142 Cb 0.49 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2a5x h LEU 142 CO -0.49 0.03 0.60 1.88 -0.34 0.00 0.00 178.44 180.11 2a5x h TYR 143 N 0.21 1.14 0.00 1.25 0.05 0.54 -1.04 116.97 119.11 2a5x h TYR 143 Ca 0.21 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 2a5x h TYR 143 Cb 0.28 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 2a5x h TYR 143 CO -0.22 0.71 -0.01 0.00 -1.05 0.00 0.00 178.16 177.59 2a5x h ALA 144 N 1.44 1.44 -0.22 3.88 0.00 -0.63 -0.11 119.26 125.06 2a5x h ALA 144 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2a5x h ALA 144 Cb -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2a5x h ALA 144 CO -0.07 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 2a5x n SER 145 N -3.74 1.44 -1.89 0.00 3.41 -0.40 -4.92 113.62 107.51 2a5x n SER 145 Ca -0.03 -1.84 -0.10 0.00 -0.26 0.00 0.00 58.87 56.65 2a5x n SER 145 Cb 0.10 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 63.94 2a5x n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a5x n GLY 146 N 1.01 0.26 3.09 5.00 0.00 -0.05 -5.05 105.19 109.45 2a5x n GLY 146 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2a5x n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a5x s ARG 147 N -5.38 0.47 -0.00 1.61 0.52 -1.17 -5.04 118.95 109.95 2a5x s ARG 147 Ca 0.21 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2a5x s ARG 147 Cb -0.09 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.52 2a5x s ARG 147 CO 0.32 -0.11 0.11 0.25 0.02 0.00 0.00 175.30 175.88 2a5x n THR 148 N 1.45 0.00 -5.22 0.02 -2.24 -1.26 -3.40 114.28 103.63 2a5x n THR 148 Ca -0.23 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2a5x n THR 148 Cb 0.55 0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 2a5x n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a5x s THR 149 N -1.87 2.16 0.00 4.28 2.01 -1.26 -0.66 115.64 120.29 2a5x s THR 149 Ca -0.00 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.97 2a5x s THR 149 Cb 0.02 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.74 2a5x s THR 149 CO 0.15 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 2a5x n GLY 150 N 2.97 1.45 3.26 4.40 0.00 0.53 -4.97 105.19 112.82 2a5x n GLY 150 Ca -0.17 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 2a5x n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a5x s ILE 151 N -2.00 3.37 0.09 -0.61 2.07 -0.85 0.27 121.20 123.54 2a5x s ILE 151 Ca 0.00 -0.93 -0.22 0.00 -1.41 0.00 0.00 60.65 58.08 2a5x s ILE 151 Cb 0.00 -2.76 -0.07 0.00 0.13 0.00 0.00 42.46 39.77 2a5x s ILE 151 CO 0.00 0.10 0.67 -0.69 -1.91 0.00 0.00 174.94 173.12 2a5x s VAL 152 N 1.39 4.62 -0.30 4.00 1.01 -0.48 -1.56 120.40 129.09 2a5x s VAL 152 Ca 0.00 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 2a5x s VAL 152 Cb -0.17 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2a5x s VAL 152 CO -0.01 0.50 0.08 -0.22 0.00 0.00 0.00 175.10 175.45 2a5x s LEU 153 N -0.87 3.86 -0.27 3.92 2.96 0.11 -0.82 118.68 127.57 2a5x s LEU 153 Ca 0.33 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2a5x s LEU 153 Cb -0.21 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.65 2a5x s LEU 153 CO 0.22 -0.19 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.36 2a5x s ASP 154 N 1.50 4.51 -0.17 3.68 -1.08 -0.70 -0.24 116.67 124.17 2a5x s ASP 154 Ca 0.02 -1.26 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 2a5x s ASP 154 Cb -0.17 -1.61 0.03 0.00 -1.46 0.00 0.00 42.92 39.71 2a5x s ASP 154 CO 0.02 -0.20 -0.12 -0.55 0.52 0.00 0.00 175.17 174.85 2a5x s SER 155 N 1.19 2.97 0.00 -0.34 0.15 -0.24 -1.06 113.70 116.36 2a5x s SER 155 Ca -0.06 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2a5x s SER 155 Cb -0.19 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2a5x s SER 155 CO -0.04 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2a5x n GLY 156 N 4.74 4.07 0.12 9.45 0.00 -0.77 -2.39 105.19 120.41 2a5x n GLY 156 Ca -0.16 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.10 2a5x n GLY 156 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a5x h ASP 157 N 0.00 0.00 0.00 1.61 3.58 -1.95 -1.13 116.42 118.53 2a5x h ASP 157 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a5x h ASP 157 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2a5x h ASP 157 CO 0.00 0.53 -0.73 0.61 -2.88 0.00 0.00 179.24 176.76 2a5x n GLY 158 N 1.30 0.00 3.33 -0.78 0.00 -1.26 -1.93 105.19 105.85 2a5x n GLY 158 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2a5x n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5x s VAL 159 N -1.48 0.05 -0.10 1.61 0.11 -1.26 -4.23 120.40 115.10 2a5x s VAL 159 Ca 0.00 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2a5x s VAL 159 Cb 0.00 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2a5x s VAL 159 CO 0.00 -0.24 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.50 2a5x s THR 160 N -2.64 1.34 0.05 5.04 2.01 0.28 -1.85 115.64 119.87 2a5x s THR 160 Ca -0.04 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.51 2a5x s THR 160 Cb -0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2a5x s THR 160 CO -0.04 0.41 -0.26 -1.00 -0.69 0.00 0.00 174.62 173.04 2a5x s HIS 161 N 1.08 2.29 -0.27 4.92 3.76 -0.23 0.12 115.29 126.96 2a5x s HIS 161 Ca -0.06 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 2a5x s HIS 161 Cb -0.15 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 2a5x s HIS 161 CO -0.02 0.13 0.11 -0.80 -0.85 0.00 0.00 174.74 173.31 2a5x s ASN 162 N -1.27 5.39 -0.31 1.40 -0.87 0.23 -1.72 114.94 117.78 2a5x s ASN 162 Ca 0.12 -0.25 0.02 0.00 -1.57 0.00 0.00 52.86 51.18 2a5x s ASN 162 Cb -0.10 -1.98 0.09 0.00 -0.02 0.00 0.00 41.25 39.25 2a5x s ASN 162 CO 0.02 -0.08 0.04 -0.69 -2.57 0.00 0.00 177.10 173.82 2a5x s VAL 163 N 1.64 1.84 0.09 1.60 1.01 -0.00 -1.20 120.40 125.38 2a5x s VAL 163 Ca 0.06 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 59.81 2a5x s VAL 163 Cb -0.16 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2a5x s VAL 163 CO 0.06 -0.51 1.07 -2.16 0.00 0.00 0.00 175.10 173.56 2a5x s PRO 164 N 1.15 4.56 -0.05 2.72 0.04 -1.26 -1.38 135.00 140.78 2a5x s PRO 164 Ca 0.07 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2a5x s PRO 164 Cb -0.19 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.01 2a5x s PRO 164 CO -0.12 -0.02 -0.09 0.42 0.04 0.00 0.00 177.00 177.24 2a5x s ILE 165 N 0.43 0.85 -0.13 0.56 1.01 0.14 -1.14 121.20 122.93 2a5x s ILE 165 Ca 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2a5x s ILE 165 Cb -0.26 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.43 2a5x s ILE 165 CO 0.31 0.29 -0.06 -0.47 0.00 0.00 0.00 174.94 175.01 2a5x s TYR 166 N 0.73 1.48 -1.38 3.97 5.04 -0.95 -0.35 117.35 125.88 2a5x s TYR 166 Ca -0.13 -0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 53.65 2a5x s TYR 166 Cb -0.15 -1.22 0.02 0.00 0.35 0.00 0.00 41.96 40.96 2a5x s TYR 166 CO 0.02 -0.54 0.32 0.39 -1.34 0.00 0.00 175.55 174.41 2a5x n GLU 167 N 4.94 -3.29 0.00 4.97 1.02 -1.03 -2.60 120.64 124.65 2a5x n GLU 167 Ca -0.12 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2a5x n GLU 167 Cb 0.49 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 2a5x n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a5x n GLY 168 N -1.16 0.30 3.37 0.62 0.00 0.17 -4.97 105.19 103.52 2a5x n GLY 168 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2a5x n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a5x s TYR 169 N -2.08 2.90 0.40 1.61 1.51 -1.07 -5.04 117.35 115.59 2a5x s TYR 169 Ca 0.00 -0.70 -0.27 0.00 -1.01 0.00 0.00 57.07 55.09 2a5x s TYR 169 Cb 0.00 -1.96 -0.09 0.00 -0.11 0.00 0.00 41.96 39.80 2a5x s TYR 169 CO 0.00 -0.31 1.40 0.00 -1.11 0.00 0.00 175.55 175.54 2a5x s ALA 170 N 0.75 3.38 -0.63 3.71 0.00 -1.26 -2.24 121.76 125.48 2a5x s ALA 170 Ca -0.04 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 2a5x s ALA 170 Cb -0.15 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.56 2a5x s ALA 170 CO 0.02 -1.00 0.61 -0.51 0.00 0.00 0.00 175.76 174.88 2a5x s LEU 171 N -2.34 6.21 0.32 0.00 1.43 -0.29 -4.95 118.68 119.06 2a5x s LEU 171 Ca 0.56 -1.97 0.04 0.00 -1.03 0.00 0.00 54.13 51.73 2a5x s LEU 171 Cb -0.43 -2.23 0.56 0.00 0.03 0.00 0.00 46.19 44.12 2a5x s LEU 171 CO 0.56 -0.83 1.83 -0.65 0.23 0.00 0.00 176.35 177.50 2a5x h PRO 172 N 8.65 0.49 0.00 1.29 0.11 -1.93 -0.85 132.00 139.76 2a5x h PRO 172 Ca -0.19 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2a5x h PRO 172 Cb 1.08 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2a5x h PRO 172 CO 0.98 0.58 -0.00 1.12 -0.21 0.00 0.00 178.00 180.47 2a5x h HIS 173 N 0.46 0.00 -0.01 0.65 2.07 -1.96 -3.09 115.15 113.28 2a5x h HIS 173 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2a5x h HIS 173 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 2a5x h HIS 173 CO 0.01 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.51 2a5x n ALA 174 N -2.09 3.17 -1.92 6.11 0.00 -0.34 -4.99 120.51 120.45 2a5x n ALA 174 Ca -0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 2a5x n ALA 174 Cb 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2a5x n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2a5x s ILE 175 N -1.76 2.64 -0.10 0.00 1.01 -1.12 -4.61 121.20 117.26 2a5x s ILE 175 Ca 0.08 0.43 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 2a5x s ILE 175 Cb 0.10 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2a5x s ILE 175 CO 0.37 0.03 0.01 -0.04 0.00 0.00 0.00 174.94 175.31 2a5x s MET 176 N 1.32 3.12 -0.12 2.79 -1.94 -0.34 -4.96 119.30 119.17 2a5x s MET 176 Ca 0.71 -0.39 0.03 0.00 -1.71 0.00 0.00 55.69 54.32 2a5x s MET 176 Cb -0.44 -2.85 0.01 0.00 2.01 0.00 0.00 34.83 33.56 2a5x s MET 176 CO 0.31 0.65 -0.22 0.50 -0.01 0.00 0.00 175.02 176.25 2a5x s ARG 177 N -0.72 2.92 -0.15 2.03 3.52 -1.26 -0.60 118.95 124.68 2a5x s ARG 177 Ca 0.11 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 2a5x s ARG 177 Cb -0.12 -2.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2a5x s ARG 177 CO 0.02 0.05 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.19 2a5x s LEU 178 N 0.66 2.18 -0.42 -0.88 2.96 0.32 -5.00 118.68 118.50 2a5x s LEU 178 Ca -0.11 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 2a5x s LEU 178 Cb -0.16 -1.48 -0.13 0.00 0.50 0.00 0.00 46.19 44.92 2a5x s LEU 178 CO 0.02 0.06 3.23 0.47 -1.32 0.00 0.00 176.35 178.81 2a5x n ASP 179 N 4.21 6.21 -3.65 3.68 8.00 -1.26 -0.56 116.55 133.17 2a5x n ASP 179 Ca -0.20 -2.73 -0.14 0.00 0.71 0.00 0.00 54.79 52.43 2a5x n ASP 179 Cb 0.51 -1.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.10 2a5x n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a5x s LEU 180 N -0.71 -0.29 0.00 0.64 0.20 -1.26 -4.97 118.68 112.29 2a5x s LEU 180 Ca 0.64 0.54 0.00 0.00 0.69 0.00 0.00 54.13 56.01 2a5x s LEU 180 Cb 0.31 0.68 0.00 0.00 -0.43 0.00 0.00 46.19 46.75 2a5x s LEU 180 CO -0.07 -0.24 0.00 0.00 -0.29 0.00 0.00 176.35 175.74 2a5x n ALA 181 N 5.35 0.00 -0.21 5.97 0.00 -1.26 -4.09 120.51 126.26 2a5x n ALA 181 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2a5x n ALA 181 Cb 0.50 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.35 2a5x n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a5x h GLY 182 N 0.00 0.99 1.23 0.00 0.00 -1.25 -1.17 103.07 102.87 2a5x h GLY 182 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 2a5x h GLY 182 CO 0.00 0.12 -0.12 -0.09 0.00 0.00 0.00 176.54 176.45 2a5x h ARG 183 N 0.64 0.90 -0.62 4.80 2.43 -1.66 -0.33 114.38 120.55 2a5x h ARG 183 Ca 0.39 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2a5x h ARG 183 Cb 0.61 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2a5x h ARG 183 CO -0.15 0.97 0.00 -0.44 -1.51 0.00 0.00 179.97 178.85 2a5x h ASP 184 N 0.81 1.06 -0.36 -3.80 3.32 -1.48 -1.99 116.42 113.98 2a5x h ASP 184 Ca 0.13 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2a5x h ASP 184 Cb 0.65 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2a5x h ASP 184 CO 0.05 1.11 0.17 -0.07 -1.72 0.00 0.00 179.24 178.77 2a5x h LEU 185 N 0.99 0.47 -0.68 1.55 3.38 -1.08 -1.01 115.31 118.93 2a5x h LEU 185 Ca 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2a5x h LEU 185 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2a5x h LEU 185 CO 0.03 0.47 0.44 0.74 0.09 0.00 0.00 178.44 180.21 2a5x h THR 186 N 0.44 1.18 -0.53 0.22 2.02 -0.93 0.27 112.91 115.59 2a5x h THR 186 Ca 0.12 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2a5x h THR 186 Cb 0.13 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2a5x h THR 186 CO -0.02 0.18 0.11 0.44 0.37 0.00 0.00 175.52 176.61 2a5x h ASP 187 N 0.93 0.82 -0.42 4.18 3.32 -1.24 0.72 116.42 124.73 2a5x h ASP 187 Ca 0.25 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2a5x h ASP 187 Cb -0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2a5x h ASP 187 CO -0.05 0.85 0.27 0.22 -1.72 0.00 0.00 179.24 178.81 2a5x h TYR 188 N 0.75 0.51 -0.88 4.55 3.20 -0.62 -0.76 116.97 123.73 2a5x h TYR 188 Ca 0.16 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2a5x h TYR 188 Cb 0.36 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2a5x h TYR 188 CO 0.03 0.32 0.58 1.25 -1.64 0.00 0.00 178.16 178.69 2a5x h LEU 189 N 0.55 0.90 -1.05 2.82 5.85 -0.06 -0.18 115.31 124.15 2a5x h LEU 189 Ca 0.16 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2a5x h LEU 189 Cb -0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2a5x h LEU 189 CO -0.04 0.60 0.44 0.24 -0.34 0.00 0.00 178.44 179.34 2a5x h MET 190 N 1.04 1.11 -0.18 1.25 2.86 -0.09 -2.19 114.93 118.73 2a5x h MET 190 Ca 0.37 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 2a5x h MET 190 Cb 0.14 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2a5x h MET 190 CO -0.13 0.81 -0.21 -0.22 1.06 0.00 0.00 176.91 178.22 2a5x h LYS 191 N 1.12 0.45 -0.01 1.72 3.64 -0.03 -3.03 116.57 120.43 2a5x h LYS 191 Ca 0.28 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2a5x h LYS 191 Cb 0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2a5x h LYS 191 CO -0.05 0.83 -0.77 -0.84 -2.27 0.00 0.00 179.45 176.36 2a5x h ILE 192 N 0.10 1.49 -0.14 2.00 3.07 -1.04 -2.84 117.51 120.16 2a5x h ILE 192 Ca 0.02 -2.46 -0.04 0.00 1.55 0.00 0.00 64.86 63.93 2a5x h ILE 192 Cb 0.77 2.34 -0.01 0.00 -0.27 0.00 0.00 36.82 39.64 2a5x h ILE 192 CO 0.05 0.71 -0.10 -0.07 -1.05 0.00 0.00 178.15 177.69 2a5x h LEU 193 N 0.07 0.19 -0.99 0.16 3.38 -1.47 -2.82 115.31 113.84 2a5x h LEU 193 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2a5x h LEU 193 Cb 1.35 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2a5x h LEU 193 CO 0.11 0.33 0.39 0.74 0.09 0.00 0.00 178.44 180.10 2a5x h THR 194 N 0.20 1.24 0.00 0.22 2.02 -1.37 -1.07 112.91 114.16 2a5x h THR 194 Ca 0.04 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2a5x h THR 194 Cb 0.31 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2a5x h THR 194 CO 0.02 0.28 0.00 1.21 0.37 0.00 0.00 175.52 177.40 2a5x n GLU 195 N -4.33 0.11 0.00 6.66 2.13 -1.07 -1.78 120.64 122.36 2a5x n GLU 195 Ca 0.08 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.18 2a5x n GLU 195 Cb 0.13 -1.50 0.22 0.00 0.27 0.00 0.00 31.44 30.56 2a5x n GLU 195 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2a5x n ARG 196 N -1.41 1.43 0.00 5.31 0.63 -0.44 -4.96 116.66 117.22 2a5x n ARG 196 Ca 0.06 -1.05 0.00 0.00 -0.92 0.00 0.00 57.85 55.94 2a5x n ARG 196 Cb 0.19 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.62 2a5x n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2a5x n GLY 197 N 1.34 1.01 3.87 5.14 0.00 -0.73 -5.11 105.19 110.70 2a5x n GLY 197 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2a5x n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a5x s TYR 198 N -2.00 3.46 -0.64 1.61 4.12 -1.01 -4.99 117.35 117.90 2a5x s TYR 198 Ca 0.00 1.01 0.05 0.00 0.02 0.00 0.00 57.07 58.15 2a5x s TYR 198 Cb 0.00 -2.40 0.16 0.00 -1.52 0.00 0.00 41.96 38.20 2a5x s TYR 198 CO 0.00 -0.03 0.43 0.45 0.02 0.00 0.00 175.55 176.43 2a5x s SER 199 N -3.00 4.39 -0.41 2.29 0.15 -1.26 -3.44 113.70 112.42 2a5x s SER 199 Ca 0.51 -3.60 -0.15 0.00 0.70 0.00 0.00 55.95 53.40 2a5x s SER 199 Cb -0.10 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2a5x s SER 199 CO 0.29 -0.12 0.30 -0.36 1.20 0.00 0.00 173.24 174.55 2a5x s PHE 200 N -1.06 3.24 0.00 3.44 0.40 -1.26 -4.87 117.98 117.86 2a5x s PHE 200 Ca 0.24 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2a5x s PHE 200 Cb -0.08 -2.62 0.00 0.00 0.51 0.00 0.00 43.02 40.83 2a5x s PHE 200 CO -0.14 -0.61 0.00 0.28 0.70 0.00 0.00 175.22 175.46 2a5x n VAL 201 N 5.15 0.00 -2.20 -0.44 0.31 -1.26 -4.83 118.33 115.06 2a5x n VAL 201 Ca -0.11 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.94 2a5x n VAL 201 Cb 0.47 -0.11 0.03 0.00 -0.91 0.00 0.00 33.84 33.32 2a5x n VAL 201 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2a5x s THR 202 N -1.18 3.79 0.32 2.52 -4.23 -1.26 -4.88 115.64 110.72 2a5x s THR 202 Ca 0.00 0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.85 2a5x s THR 202 Cb 0.00 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.36 2a5x s THR 202 CO 0.00 -0.61 1.74 0.71 -0.54 0.00 0.00 174.62 175.92 2a5x h THR 203 N -0.31 1.31 -0.71 3.99 1.35 -1.99 0.92 112.91 117.46 2a5x h THR 203 Ca -0.45 -1.49 0.01 0.00 -0.55 0.00 0.00 66.41 63.93 2a5x h THR 203 Cb 1.25 1.72 -0.04 0.00 -1.73 0.00 0.00 68.15 69.35 2a5x h THR 203 CO 0.62 0.44 0.47 0.00 -0.25 0.00 0.00 175.52 176.79 2a5x h ALA 204 N 1.46 0.91 0.00 6.62 0.00 -2.01 -2.93 119.26 123.30 2a5x h ALA 204 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2a5x h ALA 204 Cb 0.78 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2a5x h ALA 204 CO 0.06 0.30 -0.44 0.93 0.00 0.00 0.00 179.25 180.10 2a5x h GLU 205 N 0.94 0.00 0.00 0.00 5.08 -1.69 -2.53 114.58 116.38 2a5x h GLU 205 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2a5x h GLU 205 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2a5x h GLU 205 CO -0.07 0.44 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.23 2a5x h ARG 206 N 0.00 0.00 -0.16 2.33 2.43 -0.67 -1.93 114.38 116.38 2a5x h ARG 206 Ca -0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2a5x h ARG 206 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2a5x h ARG 206 CO 0.06 0.07 -0.72 0.93 -1.51 0.00 0.00 179.97 178.79 2a5x h GLU 207 N 0.00 0.71 -0.68 0.20 4.39 -1.36 -2.32 114.58 115.51 2a5x h GLU 207 Ca -0.00 -0.55 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 2a5x h GLU 207 Cb 0.14 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2a5x h GLU 207 CO 0.01 1.17 0.24 0.82 -1.16 0.00 0.00 179.01 180.09 2a5x h ILE 208 N 0.50 1.24 -0.00 3.13 2.04 -1.39 -2.07 117.51 120.96 2a5x h ILE 208 Ca -0.04 -0.81 -0.17 0.00 1.00 0.00 0.00 64.86 64.84 2a5x h ILE 208 Cb 1.33 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2a5x h ILE 208 CO 0.14 0.32 -0.79 0.58 0.00 0.00 0.00 178.15 178.41 2a5x h VAL 209 N 1.00 1.53 -0.58 1.67 2.07 -1.38 -1.44 116.25 119.13 2a5x h VAL 209 Ca 0.23 -2.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 2a5x h VAL 209 Cb 0.25 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 2a5x h VAL 209 CO -0.01 0.74 0.23 -0.09 0.02 0.00 0.00 177.57 178.46 2a5x h ARG 210 N 0.04 0.87 -0.34 1.57 2.43 -1.22 0.13 114.38 117.86 2a5x h ARG 210 Ca -0.02 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2a5x h ARG 210 Cb 1.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2a5x h ARG 210 CO 0.11 0.75 0.14 0.22 -1.51 0.00 0.00 179.97 179.67 2a5x h ASP 211 N 0.80 0.46 -0.32 -3.80 3.58 -1.13 -1.47 116.42 114.54 2a5x h ASP 211 Ca 0.19 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.51 2a5x h ASP 211 Cb 0.21 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2a5x h ASP 211 CO -0.01 0.50 0.13 0.40 -2.88 0.00 0.00 179.24 177.37 2a5x h ILE 212 N 0.40 0.93 -0.66 2.25 2.04 -1.08 -1.20 117.51 120.19 2a5x h ILE 212 Ca 0.11 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 66.02 2a5x h ILE 212 Cb 0.18 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 2a5x h ILE 212 CO -0.01 0.05 0.02 0.50 0.00 0.00 0.00 178.15 178.71 2a5x h LYS 213 N 0.27 0.13 0.00 2.37 3.64 -0.58 0.11 116.57 122.51 2a5x h LYS 213 Ca 0.14 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2a5x h LYS 213 Cb 0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2a5x h LYS 213 CO -0.13 0.09 -0.51 0.93 -2.27 0.00 0.00 179.45 177.55 2a5x h GLU 214 N 0.13 0.00 0.00 1.90 5.08 -0.73 -2.11 114.58 118.85 2a5x h GLU 214 Ca 0.35 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.52 2a5x h GLU 214 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2a5x h GLU 214 CO -0.56 0.51 -1.62 1.63 -1.00 0.00 0.00 179.01 177.97 2a5x n LYS 215 N -3.34 0.63 0.00 2.33 4.76 -0.50 -4.75 118.16 117.28 2a5x n LYS 215 Ca 0.01 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2a5x n LYS 215 Cb 0.68 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2a5x n LYS 215 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2a5x n LEU 216 N -2.84 0.00 -4.79 -0.35 4.77 0.32 -5.06 117.00 109.05 2a5x n LEU 216 Ca -0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.49 2a5x n LEU 216 Cb 0.89 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 2a5x n LEU 216 CO 0.43 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.21 2a5x s TYR 218 N -1.78 0.69 -0.28 0.00 -0.85 -0.69 -4.42 117.35 110.02 2a5x s TYR 218 Ca 0.59 -0.99 -0.10 0.00 -0.52 0.00 0.00 57.07 56.05 2a5x s TYR 218 Cb -0.19 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 2a5x s TYR 218 CO 0.24 -0.88 0.16 0.08 -1.52 0.00 0.00 175.55 173.62 2a5x s VAL 219 N -4.00 4.96 0.27 -3.49 1.01 -0.33 -3.86 120.40 114.97 2a5x s VAL 219 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2a5x s VAL 219 Cb 0.02 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2a5x s VAL 219 CO 0.11 0.25 1.44 0.00 0.00 0.00 0.00 175.10 176.89 2a5x s ALA 220 N 1.70 3.61 0.33 5.51 0.00 -1.26 -4.55 121.76 127.11 2a5x s ALA 220 Ca 0.07 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.42 2a5x s ALA 220 Cb -0.16 -3.56 0.58 0.00 0.00 0.00 0.00 23.12 19.99 2a5x s ALA 220 CO 0.08 -0.76 1.84 1.25 0.00 0.00 0.00 175.76 178.17 2a5x h LEU 221 N 4.68 0.44 -7.12 0.00 5.85 -1.97 -3.41 115.31 113.78 2a5x h LEU 221 Ca -0.47 -0.10 -0.32 0.00 0.84 0.00 0.00 57.88 57.83 2a5x h LEU 221 Cb 1.22 -0.12 -0.37 0.00 0.37 0.00 0.00 40.66 41.77 2a5x h LEU 221 CO 0.75 0.57 -0.65 -0.62 -0.34 0.00 0.00 178.44 178.15 2a5x s ASP 222 N -6.78 1.13 0.08 1.25 2.15 -1.26 -4.93 116.67 108.31 2a5x s ASP 222 Ca -0.07 0.06 -0.28 0.00 0.43 0.00 0.00 52.55 52.70 2a5x s ASP 222 Cb 0.15 0.22 -0.17 0.00 -0.30 0.00 0.00 42.92 42.82 2a5x s ASP 222 CO 0.77 -0.28 1.68 0.15 -0.17 0.00 0.00 175.17 177.32 2a5x h PHE 223 N 8.36 -0.42 0.05 -5.34 3.57 -2.00 -2.32 116.94 118.85 2a5x h PHE 223 Ca -0.14 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.37 2a5x h PHE 223 Cb 1.13 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 2a5x h PHE 223 CO 0.32 -0.26 -0.50 0.93 -2.23 0.00 0.00 178.31 176.57 2a5x h GLU 224 N -0.45 -0.66 -0.73 1.11 5.08 -1.99 0.35 114.58 117.30 2a5x h GLU 224 Ca -0.05 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 2a5x h GLU 224 Cb 0.35 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 2a5x h GLU 224 CO 0.08 -0.44 0.05 -0.91 -1.00 0.00 0.00 179.01 176.78 2a5x h ASN 225 N -0.68 -0.25 -0.33 1.42 2.35 -1.99 -1.35 115.58 114.74 2a5x h ASN 225 Ca 0.01 0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2a5x h ASN 225 Cb 0.72 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2a5x h ASN 225 CO -0.32 -0.14 0.11 -0.08 -1.65 0.00 0.00 177.43 175.35 2a5x h GLU 226 N 0.14 0.52 -0.84 0.81 4.57 -1.04 -0.18 114.58 118.56 2a5x h GLU 226 Ca 0.40 -0.11 0.11 0.00 -1.18 0.00 0.00 59.36 58.58 2a5x h GLU 226 Cb 0.70 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 2a5x h GLU 226 CO -0.61 0.55 0.54 0.52 -1.18 0.00 0.00 179.01 178.84 2a5x h MET 227 N 0.39 0.70 0.05 1.92 2.86 -0.39 -1.71 114.93 118.75 2a5x h MET 227 Ca 0.11 -0.04 -0.26 0.00 -2.06 0.00 0.00 59.70 57.45 2a5x h MET 227 Cb 0.25 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.76 2a5x h MET 227 CO -0.00 0.46 -1.08 0.00 1.06 0.00 0.00 176.91 177.36 2a5x h ALA 228 N 1.60 0.20 -0.33 6.32 0.00 -0.57 -0.52 119.26 125.96 2a5x h ALA 228 Ca 0.40 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2a5x h ALA 228 Cb 0.55 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2a5x h ALA 228 CO -0.16 0.79 0.09 1.15 0.00 0.00 0.00 179.25 181.11 2a5x h THR 229 N 0.24 0.87 0.00 0.00 2.02 -0.89 -2.98 112.91 112.17 2a5x h THR 229 Ca -0.12 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2a5x h THR 229 Cb 1.74 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2a5x h THR 229 CO 0.19 0.04 -0.26 0.00 0.37 0.00 0.00 175.52 175.86 2a5x h ALA 230 N 1.23 0.96 0.00 6.16 0.00 -1.17 -0.91 119.26 125.53 2a5x h ALA 230 Ca 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2a5x h ALA 230 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2a5x h ALA 230 CO -0.18 0.32 -0.60 0.00 0.00 0.00 0.00 179.25 178.79 2a5x h ALA 231 N 1.74 0.77 -0.00 0.00 0.00 -1.04 -3.37 119.26 117.36 2a5x h ALA 231 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2a5x h ALA 231 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2a5x h ALA 231 CO 0.03 0.75 -0.01 -1.13 0.00 0.00 0.00 179.25 178.90 2a5x n SER 232 N -3.48 0.76 -3.90 0.00 3.41 -1.05 -5.04 113.62 104.32 2a5x n SER 232 Ca 0.00 -0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 57.65 2a5x n SER 232 Cb 0.68 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 2a5x n SER 232 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a5x s SER 233 N -0.36 -0.20 -0.30 4.04 1.04 -0.37 -5.05 113.70 112.50 2a5x s SER 233 Ca 0.01 -0.71 0.11 0.00 0.48 0.00 0.00 55.95 55.83 2a5x s SER 233 Cb 0.01 0.67 0.66 0.00 0.10 0.00 0.00 66.02 67.46 2a5x s SER 233 CO 0.02 -1.25 1.69 -1.54 0.98 0.00 0.00 173.24 173.14 2a5x n SER 234 N -0.42 4.21 0.01 7.02 3.41 -1.26 -4.45 113.62 122.13 2a5x n SER 234 Ca -0.04 -3.30 0.14 0.00 -0.26 0.00 0.00 58.87 55.41 2a5x n SER 234 Cb 0.60 -0.70 0.60 0.00 -0.26 0.00 0.00 64.21 64.45 2a5x n SER 234 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a5x n SER 235 N -0.45 0.08 -0.41 4.04 3.41 -1.26 -2.85 113.62 116.18 2a5x n SER 235 Ca 0.37 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.55 2a5x n SER 235 Cb 1.26 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 64.71 2a5x n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2a5x n LEU 236 N -1.57 1.75 -4.74 1.04 4.77 -1.26 -5.00 117.00 111.98 2a5x n LEU 236 Ca 0.07 -0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 54.77 2a5x n LEU 236 Cb 0.35 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 2a5x n LEU 236 CO 0.27 0.33 0.92 -1.61 -1.33 0.00 0.00 177.39 175.97 2a5x s GLU 237 N -1.46 4.46 0.10 3.23 2.02 -1.13 -4.75 118.70 121.16 2a5x s GLU 237 Ca 0.13 1.96 0.07 0.00 0.02 0.00 0.00 54.97 57.16 2a5x s GLU 237 Cb 0.11 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 2a5x s GLU 237 CO 0.27 -0.13 -0.19 0.15 0.02 0.00 0.00 175.26 175.38 2a5x s LYS 238 N -0.45 1.05 0.05 1.61 -0.14 -0.57 -4.97 119.74 116.31 2a5x s LYS 238 Ca 0.53 -1.11 -0.09 0.00 -1.36 0.00 0.00 55.97 53.94 2a5x s LYS 238 Cb -0.35 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.51 2a5x s LYS 238 CO 0.39 0.29 0.35 -1.12 -0.76 0.00 0.00 175.35 174.50 2a5x s SER 239 N -1.88 6.60 -0.04 2.83 0.01 -1.26 -1.01 113.70 118.96 2a5x s SER 239 Ca 0.04 0.73 0.02 0.00 1.31 0.00 0.00 55.95 58.05 2a5x s SER 239 Cb -0.10 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2a5x s SER 239 CO 0.04 0.22 -0.07 -0.47 0.41 0.00 0.00 173.24 173.36 2a5x s TYR 240 N -1.33 0.90 -0.23 2.43 5.04 0.64 -4.97 117.35 119.83 2a5x s TYR 240 Ca 0.30 -0.25 -0.17 0.00 -2.44 0.00 0.00 57.07 54.51 2a5x s TYR 240 Cb -0.14 -0.69 -0.03 0.00 0.35 0.00 0.00 41.96 41.44 2a5x s TYR 240 CO 0.17 -0.15 0.45 -2.00 -1.34 0.00 0.00 175.55 172.68 2a5x s GLU 241 N 0.51 4.12 0.68 4.97 2.12 -1.26 -0.94 118.70 128.90 2a5x s GLU 241 Ca -0.08 0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 2a5x s GLU 241 Cb -0.11 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.68 2a5x s GLU 241 CO 0.01 -0.20 1.06 -0.51 -0.54 0.00 0.00 175.26 175.08 2a5x s LEU 242 N 1.80 3.12 0.40 2.70 1.43 0.88 -4.95 118.68 124.06 2a5x s LEU 242 Ca 0.20 1.53 0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2a5x s LEU 242 Cb -0.15 -4.43 1.00 0.00 0.03 0.00 0.00 46.19 42.63 2a5x s LEU 242 CO 0.09 -1.32 1.86 -0.65 0.23 0.00 0.00 176.35 176.55 2a5x h PRO 243 N -0.64 0.48 -0.13 1.29 0.11 -1.98 -1.46 132.00 129.67 2a5x h PRO 243 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a5x h PRO 243 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2a5x h PRO 243 CO 0.58 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 2a5x n ASP 244 N -4.54 1.14 0.00 -2.05 5.75 -1.26 -4.92 116.55 110.67 2a5x n ASP 244 Ca 0.19 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2a5x n ASP 244 Cb 0.62 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2a5x n ASP 244 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a5x n GLY 245 N 1.00 1.96 3.77 6.12 0.00 -0.55 -5.08 105.19 112.41 2a5x n GLY 245 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2a5x n GLY 245 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a5x s GLN 246 N -0.80 4.21 -0.16 1.61 -2.07 -1.26 -4.73 119.66 116.46 2a5x s GLN 246 Ca 0.00 1.81 -0.01 0.00 -1.82 0.00 0.00 55.36 55.33 2a5x s GLN 246 Cb 0.00 -2.78 -0.01 0.00 -1.09 0.00 0.00 33.01 29.13 2a5x s GLN 246 CO 0.00 -0.18 -0.10 0.08 -1.32 0.00 0.00 175.29 173.77 2a5x s VAL 247 N -1.38 3.12 0.24 3.63 1.01 -1.26 -0.08 120.40 125.67 2a5x s VAL 247 Ca 0.54 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.02 2a5x s VAL 247 Cb -0.30 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2a5x s VAL 247 CO 0.38 0.49 -0.20 0.27 0.00 0.00 0.00 175.10 176.05 2a5x s ILE 248 N 0.79 2.30 -0.13 2.22 -4.36 -0.12 -4.93 121.20 116.97 2a5x s ILE 248 Ca -0.04 -2.26 -0.04 0.00 -0.26 0.00 0.00 60.65 58.05 2a5x s ILE 248 Cb -0.15 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 2a5x s ILE 248 CO 0.01 -0.36 0.02 -0.89 0.24 0.00 0.00 174.94 173.96 2a5x s THR 249 N -2.36 4.41 -0.04 8.37 2.01 -1.26 -0.26 115.64 126.51 2a5x s THR 249 Ca 0.26 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2a5x s THR 249 Cb -0.05 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 2a5x s THR 249 CO 0.12 0.54 -0.25 0.27 -0.69 0.00 0.00 174.62 174.61 2a5x s ILE 250 N -0.27 2.04 0.00 1.82 -4.36 -0.18 -4.97 121.20 115.28 2a5x s ILE 250 Ca 0.07 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 2a5x s ILE 250 Cb -0.12 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.88 2a5x s ILE 250 CO 0.02 0.57 0.00 0.61 0.24 0.00 0.00 174.94 176.38 2a5x n GLY 251 N 2.72 1.25 0.37 6.27 0.00 -1.26 -1.51 105.19 113.03 2a5x n GLY 251 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 2a5x n GLY 251 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2a5x h ASN 252 N 0.00 0.00 -0.98 1.61 7.08 -1.91 -0.97 115.58 120.41 2a5x h ASN 252 Ca 0.00 0.00 0.26 0.00 -3.08 0.00 0.00 56.30 53.48 2a5x h ASN 252 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.18 2a5x h ASN 252 CO 0.00 0.00 0.67 -0.33 -2.08 0.00 0.00 177.43 175.69 2a5x h GLU 253 N 0.00 0.20 -0.72 4.14 3.07 -1.97 0.84 114.58 120.15 2a5x h GLU 253 Ca 0.11 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.08 2a5x h GLU 253 Cb 1.05 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.83 2a5x h GLU 253 CO -0.00 0.14 0.29 0.00 -1.40 0.00 0.00 179.01 178.03 2a5x h ARG 254 N 0.21 0.43 0.00 2.33 3.08 -1.49 -2.12 114.38 116.82 2a5x h ARG 254 Ca 0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2a5x h ARG 254 Cb 1.61 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2a5x h ARG 254 CO -0.13 0.29 -1.50 1.97 -1.07 0.00 0.00 179.97 179.53 2a5x n PHE 255 N -4.99 0.00 0.02 3.04 1.16 -0.87 -1.71 117.46 114.11 2a5x n PHE 255 Ca 0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.69 2a5x n PHE 255 Cb 0.37 -0.28 0.25 0.00 -1.61 0.00 0.00 39.48 38.21 2a5x n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a5x h ARG 256 N 0.00 0.47 0.23 3.97 3.08 -0.75 -2.53 114.38 118.86 2a5x h ARG 256 Ca 0.00 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2a5x h ARG 256 Cb 0.62 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2a5x h ARG 256 CO 0.00 0.62 -0.11 0.00 -1.07 0.00 0.00 179.97 179.41 2a5x n PRO 258 N -2.86 0.07 0.28 0.00 -0.04 -1.24 -2.34 135.00 128.85 2a5x n PRO 258 Ca -0.04 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2a5x n PRO 258 Cb 0.12 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 32.88 2a5x n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2a5x h GLU 259 N 0.00 0.00 0.00 0.54 4.57 -1.44 -1.89 114.58 116.36 2a5x h GLU 259 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2a5x h GLU 259 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2a5x h GLU 259 CO 0.00 0.06 -0.01 1.15 -1.18 0.00 0.00 179.01 179.03 2a5x h THR 260 N 0.00 0.41 -0.79 0.32 2.02 -1.58 -0.18 112.91 113.12 2a5x h THR 260 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2a5x h THR 260 Cb 0.15 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 2a5x h THR 260 CO 0.01 0.01 0.49 -0.07 0.37 0.00 0.00 175.52 176.33 2a5x h LEU 261 N 0.00 0.93 0.00 2.58 3.38 -1.57 -2.56 115.31 118.07 2a5x h LEU 261 Ca -0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2a5x h LEU 261 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2a5x h LEU 261 CO 0.00 0.70 -1.56 0.49 0.09 0.00 0.00 178.44 178.16 2a5x n PHE 262 N -4.39 0.69 -3.60 1.13 3.72 -0.22 -1.76 117.46 113.02 2a5x n PHE 262 Ca 0.09 0.22 -0.28 0.00 -0.05 0.00 0.00 57.45 57.43 2a5x n PHE 262 Cb 0.05 -0.95 -0.11 0.00 -0.94 0.00 0.00 39.48 37.53 2a5x n PHE 262 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2a5x s GLN 263 N -3.06 1.44 0.31 -1.08 2.00 -0.38 -4.04 119.66 114.85 2a5x s GLN 263 Ca -0.04 -2.45 0.25 0.00 -2.00 0.00 0.00 55.36 51.11 2a5x s GLN 263 Cb 0.09 -2.18 1.10 0.00 0.80 0.00 0.00 33.01 32.83 2a5x s GLN 263 CO 0.83 -1.32 1.75 -1.35 -0.50 0.00 0.00 175.29 174.70 2a5x h PRO 264 N 5.78 0.00 0.00 1.67 0.11 -1.68 -2.97 132.00 134.91 2a5x h PRO 264 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2a5x h PRO 264 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2a5x h PRO 264 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 2a5x n SER 265 N -2.35 0.20 -0.15 -2.05 3.41 -0.86 -1.97 113.62 109.85 2a5x n SER 265 Ca 0.01 0.56 0.25 0.00 -0.26 0.00 0.00 58.87 59.42 2a5x n SER 265 Cb 0.19 -0.60 0.68 0.00 -0.26 0.00 0.00 64.21 64.22 2a5x n SER 265 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2a5x h PHE 266 N 0.00 0.10 -0.32 7.33 -1.00 -1.81 -0.26 116.94 120.98 2a5x h PHE 266 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2a5x h PHE 266 Cb 0.23 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2a5x h PHE 266 CO 0.00 0.03 0.00 0.44 -1.61 0.00 0.00 178.31 177.17 2a5x n ILE 267 N -4.34 2.01 -0.76 -0.55 -5.35 -0.83 -4.98 119.36 104.56 2a5x n ILE 267 Ca 0.16 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 2a5x n ILE 267 Cb 0.82 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 2a5x n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a5x n GLY 268 N -0.12 0.54 3.79 3.28 0.00 -0.11 -5.05 105.19 107.52 2a5x n GLY 268 Ca 0.20 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2a5x n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a5x s MET 269 N -1.34 3.94 0.22 1.61 -1.94 -1.16 -4.96 119.30 115.67 2a5x s MET 269 Ca 0.00 0.01 0.26 0.00 -1.71 0.00 0.00 55.69 54.24 2a5x s MET 269 Cb 0.00 -3.32 0.69 0.00 2.01 0.00 0.00 34.83 34.21 2a5x s MET 269 CO 0.00 0.49 1.69 0.93 -0.01 0.00 0.00 175.02 178.12 2a5x h GLU 270 N 5.84 0.00 -6.85 2.03 5.08 -1.95 -2.28 114.58 116.46 2a5x h GLU 270 Ca -0.47 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.35 2a5x h GLU 270 Cb 1.19 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.64 2a5x h GLU 270 CO 0.68 0.00 -0.37 0.43 -1.00 0.00 0.00 179.01 178.75 2a5x n SER 271 N -2.34 -1.36 -4.80 1.42 7.64 -1.26 -4.95 113.62 107.96 2a5x n SER 271 Ca 0.05 0.42 -0.30 0.00 1.01 0.00 0.00 58.87 60.05 2a5x n SER 271 Cb 0.44 -1.26 0.08 0.00 -1.01 0.00 0.00 64.21 62.46 2a5x n SER 271 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a5x s ALA 272 N -2.29 2.31 0.86 -0.43 0.00 -1.26 -4.48 121.76 116.47 2a5x s ALA 272 Ca 0.61 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 2a5x s ALA 272 Cb -0.25 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 19.89 2a5x s ALA 272 CO 0.63 -1.66 1.21 0.20 0.00 0.00 0.00 175.76 176.14 2a5x s GLY 273 N -3.86 1.73 0.48 0.00 0.00 -1.26 -4.79 107.32 99.62 2a5x s GLY 273 Ca 0.60 -1.11 0.23 0.00 0.00 0.00 0.00 44.72 44.44 2a5x s GLY 273 CO 0.54 -0.48 2.00 0.16 0.00 0.00 0.00 173.10 175.33 2a5x h ILE 274 N -1.24 0.74 -0.07 0.90 3.07 -1.61 -0.18 117.51 119.12 2a5x h ILE 274 Ca -0.44 -0.71 -0.04 0.00 1.55 0.00 0.00 64.86 65.23 2a5x h ILE 274 Cb 1.27 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 39.25 2a5x h ILE 274 CO 0.47 0.17 -0.11 1.12 -1.05 0.00 0.00 178.15 178.76 2a5x h HIS 275 N 0.00 0.24 -0.73 0.16 2.07 -1.91 -2.69 115.15 112.30 2a5x h HIS 275 Ca -0.00 -0.08 -0.07 0.00 -2.85 0.00 0.00 60.37 57.37 2a5x h HIS 275 Cb 0.42 -0.05 -0.03 0.00 2.57 0.00 0.00 27.41 30.32 2a5x h HIS 275 CO 0.00 0.69 0.19 0.93 -3.07 0.00 0.00 177.93 176.67 2a5x h GLU 276 N -0.27 1.15 -0.03 5.12 5.08 -1.74 -2.26 114.58 121.63 2a5x h GLU 276 Ca 0.01 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2a5x h GLU 276 Cb 0.66 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2a5x h GLU 276 CO 0.02 1.00 -0.64 1.79 -1.00 0.00 0.00 179.01 180.18 2a5x h THR 277 N 1.09 1.43 -0.18 1.13 1.35 -1.15 0.27 112.91 116.85 2a5x h THR 277 Ca 0.23 -2.12 -0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2a5x h THR 277 Cb 0.35 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 2a5x h THR 277 CO -0.00 0.62 0.11 0.74 -0.25 0.00 0.00 175.52 176.74 2a5x h THR 278 N 0.09 1.08 -0.00 6.82 2.02 -1.38 0.19 112.91 121.73 2a5x h THR 278 Ca -0.01 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2a5x h THR 278 Cb 1.15 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2a5x h THR 278 CO 0.09 0.08 0.00 0.22 0.37 0.00 0.00 175.52 176.28 2a5x h TYR 279 N 0.22 0.00 -0.48 3.16 3.20 -1.00 -0.93 116.97 121.13 2a5x h TYR 279 Ca 0.07 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2a5x h TYR 279 Cb 0.03 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2a5x h TYR 279 CO -0.05 0.05 0.24 -0.91 -1.64 0.00 0.00 178.16 175.85 2a5x h ASN 280 N -0.05 0.60 0.28 -2.11 2.35 -0.42 -0.87 115.58 115.36 2a5x h ASN 280 Ca 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2a5x h ASN 280 Cb 0.05 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2a5x h ASN 280 CO -0.00 0.51 -0.13 -1.28 -1.65 0.00 0.00 177.43 174.87 2a5x h SER 281 N 0.68 -0.32 -0.96 5.81 0.87 -0.68 -2.42 113.55 116.53 2a5x h SER 281 Ca 0.17 -0.16 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 2a5x h SER 281 Cb 0.06 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.02 2a5x h SER 281 CO -0.02 -0.01 0.61 0.40 -0.53 0.00 0.00 176.83 177.28 2a5x h ILE 282 N -0.65 0.79 0.00 2.23 2.04 -0.96 -2.05 117.51 118.91 2a5x h ILE 282 Ca -0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2a5x h ILE 282 Cb 0.46 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2a5x h ILE 282 CO 0.06 0.14 -0.06 0.24 0.00 0.00 0.00 178.15 178.53 2a5x h MET 283 N 0.76 0.00 0.00 2.37 2.86 -0.89 -2.10 114.93 117.93 2a5x h MET 283 Ca 0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 2a5x h MET 283 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2a5x h MET 283 CO -0.28 0.06 0.00 1.63 1.06 0.00 0.00 176.91 179.38 2a5x n LYS 284 N -3.17 1.00 -3.98 1.72 4.76 -0.77 -4.87 118.16 112.85 2a5x n LYS 284 Ca 0.01 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.21 2a5x n LYS 284 Cb 0.37 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 2a5x n LYS 284 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a5x n ASP 286 N -0.82 2.85 0.06 0.00 -0.08 -1.26 -4.87 116.55 112.43 2a5x n ASP 286 Ca -0.08 1.12 0.19 0.00 -1.51 0.00 0.00 54.79 54.51 2a5x n ASP 286 Cb 0.55 -1.42 0.72 0.00 2.34 0.00 0.00 41.12 43.31 2a5x n ASP 286 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2a5x h ILE 287 N 3.28 0.65 0.00 5.18 2.10 -1.95 -2.44 117.51 124.34 2a5x h ILE 287 Ca -0.45 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.48 2a5x h ILE 287 Cb 1.27 0.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.75 2a5x h ILE 287 CO 0.81 0.00 -0.05 0.44 -1.08 0.00 0.00 178.15 178.27 2a5x h ASP 288 N 0.00 0.00 -0.01 2.19 5.19 -2.01 -3.00 116.42 118.77 2a5x h ASP 288 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2a5x h ASP 288 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2a5x h ASP 288 CO -0.00 0.05 -0.04 2.30 -3.12 0.00 0.00 179.24 178.43 2a5x n ILE 289 N -4.12 0.00 -0.20 0.35 -5.35 -0.92 -4.66 119.36 104.45 2a5x n ILE 289 Ca -0.03 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 61.91 2a5x n ILE 289 Cb 0.14 1.24 0.10 0.00 -1.74 0.00 0.00 39.64 39.37 2a5x n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2a5x h ARG 290 N 2.21 1.01 -0.40 6.28 3.08 -1.52 -1.40 114.38 123.65 2a5x h ARG 290 Ca 0.00 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2a5x h ARG 290 Cb 0.49 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2a5x h ARG 290 CO 0.00 0.92 0.11 0.87 -1.07 0.00 0.00 179.97 180.80 2a5x h LYS 291 N 0.96 0.24 -0.35 0.04 6.56 -1.83 -1.49 116.57 120.71 2a5x h LYS 291 Ca 0.20 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.72 2a5x h LYS 291 Cb 0.39 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 2a5x h LYS 291 CO 0.01 0.16 0.00 -0.44 -2.06 0.00 0.00 179.45 177.12 2a5x h ASP 292 N 0.25 0.50 0.03 0.86 3.32 -1.77 -1.77 116.42 117.84 2a5x h ASP 292 Ca 0.19 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2a5x h ASP 292 Cb 0.21 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2a5x h ASP 292 CO -0.23 0.57 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.78 2a5x h LEU 293 N 0.51 -0.03 -1.15 1.55 3.38 -0.93 -2.96 115.31 115.68 2a5x h LEU 293 Ca 0.11 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2a5x h LEU 293 Cb 0.33 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2a5x h LEU 293 CO 0.01 0.28 0.59 1.88 0.09 0.00 0.00 178.44 181.29 2a5x h TYR 294 N -0.35 1.00 0.00 1.13 0.05 -1.06 -0.79 116.97 116.96 2a5x h TYR 294 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2a5x h TYR 294 Cb 0.32 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2a5x h TYR 294 CO 0.03 0.45 0.00 0.00 -1.05 0.00 0.00 178.16 177.58 2a5x n ALA 295 N -2.39 2.56 -2.70 3.88 0.00 -0.69 -1.66 120.51 119.51 2a5x n ALA 295 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2a5x n ALA 295 Cb 0.32 -1.49 0.03 0.00 0.00 0.00 0.00 19.45 18.32 2a5x n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2a5x n ASN 296 N -1.13 1.51 -4.56 0.00 3.02 -0.31 -4.37 115.26 109.42 2a5x n ASN 296 Ca 0.19 -2.54 -0.41 0.00 -0.03 0.00 0.00 54.58 51.79 2a5x n ASN 296 Cb 0.16 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2a5x n ASN 296 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2a5x s ASN 297 N -3.30 5.88 -0.17 6.41 0.01 -0.67 -2.00 114.94 121.09 2a5x s ASN 297 Ca 0.27 0.20 -0.10 0.00 -0.71 0.00 0.00 52.86 52.52 2a5x s ASN 297 Cb 0.42 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.49 2a5x s ASN 297 CO 0.02 -1.92 0.17 -0.69 -1.51 0.00 0.00 177.10 173.16 2a5x s VAL 298 N 6.88 5.40 -0.06 1.60 1.01 -0.60 0.45 120.40 135.08 2a5x s VAL 298 Ca 0.54 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2a5x s VAL 298 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2a5x s VAL 298 CO 0.22 0.47 0.12 -0.04 0.00 0.00 0.00 175.10 175.87 2a5x s MET 299 N 0.08 3.30 -0.08 2.72 -1.94 -0.42 0.07 119.30 123.04 2a5x s MET 299 Ca 0.11 -0.29 -0.08 0.00 -1.71 0.00 0.00 55.69 53.72 2a5x s MET 299 Cb -0.12 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.70 2a5x s MET 299 CO 0.00 0.71 0.23 0.45 -0.01 0.00 0.00 175.02 176.41 2a5x s SER 300 N -1.41 -0.22 0.00 3.03 0.15 0.67 -4.51 113.70 111.40 2a5x s SER 300 Ca 0.20 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2a5x s SER 300 Cb -0.12 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2a5x s SER 300 CO 0.10 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2a5x n GLY 301 N 2.83 1.75 0.36 9.45 0.00 0.10 -1.08 105.19 118.61 2a5x n GLY 301 Ca -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.08 2a5x n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2a5x h GLY 302 N 0.00 1.23 1.62 -0.02 0.00 -1.74 -1.06 103.07 103.10 2a5x h GLY 302 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2a5x h GLY 302 CO 0.00 0.37 0.00 2.41 0.00 0.00 0.00 176.54 179.32 2a5x n THR 303 N -4.45 0.47 -0.28 4.70 -1.04 -1.00 -1.43 114.28 111.25 2a5x n THR 303 Ca 0.11 0.12 0.06 0.00 -2.04 0.00 0.00 64.05 62.30 2a5x n THR 303 Cb 0.11 -0.81 0.29 0.00 -1.82 0.00 0.00 70.33 68.11 2a5x n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a5x n THR 304 N -1.31 1.78 1.19 12.58 -2.24 -0.40 -4.44 114.28 121.44 2a5x n THR 304 Ca 0.08 -0.99 0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2a5x n THR 304 Cb 0.16 -0.17 0.31 0.00 -2.10 0.00 0.00 70.33 68.53 2a5x n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a5x n MET 305 N 0.63 0.77 -1.68 -0.78 2.81 -0.51 -4.91 117.12 113.45 2a5x n MET 305 Ca 0.20 -0.48 -0.46 0.00 -1.81 0.00 0.00 57.70 55.15 2a5x n MET 305 Cb 0.85 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.83 2a5x n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2a5x n TYR 306 N -0.69 2.39 -1.57 2.03 4.02 -1.26 -4.94 117.16 117.13 2a5x n TYR 306 Ca 0.11 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.90 57.54 2a5x n TYR 306 Cb 0.36 -2.68 0.01 0.00 -0.02 0.00 0.00 39.34 37.01 2a5x n TYR 306 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2a5x n PRO 307 N 6.25 1.12 -0.10 -0.72 -0.02 -1.26 -2.14 135.00 138.13 2a5x n PRO 307 Ca 0.21 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2a5x n PRO 307 Cb 0.32 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2a5x n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a5x n GLY 308 N 1.34 2.52 0.24 -1.23 0.00 -1.26 -1.18 105.19 105.61 2a5x n GLY 308 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2a5x n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a5x h ILE 309 N 0.00 1.15 -0.12 -0.61 2.10 -1.68 -2.65 117.51 115.71 2a5x h ILE 309 Ca 0.00 -0.66 -0.22 0.00 1.08 0.00 0.00 64.86 65.06 2a5x h ILE 309 Cb 0.00 1.20 0.01 0.00 -1.09 0.00 0.00 36.82 36.94 2a5x h ILE 309 CO 0.00 0.20 -0.80 0.00 -1.08 0.00 0.00 178.15 176.47 2a5x h ALA 310 N 1.73 0.35 0.00 0.18 0.00 -1.90 -2.12 119.26 117.49 2a5x h ALA 310 Ca 0.03 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2a5x h ALA 310 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2a5x h ALA 310 CO 0.02 0.70 -0.49 -0.44 0.00 0.00 0.00 179.25 179.04 2a5x h ASP 311 N 0.47 0.00 0.46 0.00 3.32 -1.95 -1.32 116.42 117.41 2a5x h ASP 311 Ca -0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.69 2a5x h ASP 311 Cb 1.42 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.99 2a5x h ASP 311 CO 0.16 0.49 -1.34 -0.09 -1.72 0.00 0.00 179.24 176.73 2a5x h ARG 312 N 0.00 0.40 -0.51 3.56 9.65 -1.48 -2.33 114.38 123.66 2a5x h ARG 312 Ca -0.00 -0.67 -0.05 0.00 -1.10 0.00 0.00 59.98 58.15 2a5x h ARG 312 Cb 0.89 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2a5x h ARG 312 CO 0.06 1.32 0.10 0.52 2.80 0.00 0.00 179.97 184.78 2a5x h MET 313 N 0.11 0.83 -0.01 0.20 2.86 -1.30 -0.20 114.93 117.42 2a5x h MET 313 Ca -0.19 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 2a5x h MET 313 Cb 2.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 33.57 2a5x h MET 313 CO 0.24 0.81 -0.19 0.37 1.06 0.00 0.00 176.91 179.19 2a5x h GLN 314 N 0.71 -0.30 -0.45 1.72 5.75 -1.26 -0.37 115.11 120.92 2a5x h GLN 314 Ca 0.16 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 2a5x h GLN 314 Cb 0.37 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2a5x h GLN 314 CO 0.01 -0.20 0.17 -0.22 -2.65 0.00 0.00 178.83 175.94 2a5x h LYS 315 N -0.31 0.69 -0.30 1.69 3.64 -1.31 -0.17 116.57 120.50 2a5x h LYS 315 Ca 0.06 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 2a5x h LYS 315 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2a5x h LYS 315 CO -0.19 0.64 -0.25 0.93 -2.27 0.00 0.00 179.45 178.30 2a5x h GLU 316 N 0.59 0.70 -0.34 1.90 4.39 -0.92 -2.40 114.58 118.51 2a5x h GLU 316 Ca 0.15 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2a5x h GLU 316 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2a5x h GLU 316 CO -0.01 0.96 0.11 0.82 -1.16 0.00 0.00 179.01 179.73 2a5x h ILE 317 N 0.45 1.21 -0.56 3.13 1.08 -1.01 -2.88 117.51 118.94 2a5x h ILE 317 Ca 0.05 -0.67 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 2a5x h ILE 317 Cb 0.81 1.01 -0.10 0.00 -3.07 0.00 0.00 36.82 35.47 2a5x h ILE 317 CO 0.06 0.23 -0.03 0.74 -0.69 0.00 0.00 178.15 178.46 2a5x h THR 318 N 0.39 0.53 0.00 -0.27 2.02 -0.97 -1.41 112.91 113.19 2a5x h THR 318 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2a5x h THR 318 Cb 0.25 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2a5x h THR 318 CO -0.00 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.85 2a5x h ALA 319 N 1.52 1.28 0.00 6.16 0.00 -1.22 -2.91 119.26 124.08 2a5x h ALA 319 Ca 0.28 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2a5x h ALA 319 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2a5x h ALA 319 CO -0.49 0.07 -1.96 1.28 0.00 0.00 0.00 179.25 178.14 2a5x n LEU 320 N -3.55 0.22 -4.92 0.00 4.77 -0.73 -5.00 117.00 107.79 2a5x n LEU 320 Ca -0.02 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 2a5x n LEU 320 Cb 0.17 0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2a5x n LEU 320 CO 0.27 0.19 0.53 0.00 -1.33 0.00 0.00 177.39 177.04 2a5x s ALA 321 N -3.05 3.32 0.64 -1.18 0.00 -0.61 -5.05 121.76 115.82 2a5x s ALA 321 Ca -0.07 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 2a5x s ALA 321 Cb 0.10 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2a5x s ALA 321 CO 0.86 -0.78 1.23 -2.14 0.00 0.00 0.00 175.76 174.93 2a5x s PRO 322 N -4.97 2.67 0.50 0.00 0.02 -1.26 -4.89 135.00 127.06 2a5x s PRO 322 Ca 0.54 1.86 0.27 0.00 0.02 0.00 0.00 61.00 63.68 2a5x s PRO 322 Cb -0.11 -1.89 1.35 0.00 0.02 0.00 0.00 34.50 33.88 2a5x s PRO 322 CO 0.45 -1.45 1.90 0.77 -0.33 0.00 0.00 177.00 178.33 2a5x h SER 323 N 0.50 0.12 -0.19 2.53 0.02 -1.97 -1.96 113.55 112.60 2a5x h SER 323 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2a5x h SER 323 Cb 1.31 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2a5x h SER 323 CO 0.53 0.05 0.00 0.35 -1.14 0.00 0.00 176.83 176.62 2a5x n THR 324 N -4.36 0.24 -2.77 -2.27 -2.24 -1.26 -4.94 114.28 96.69 2a5x n THR 324 Ca 0.17 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2a5x n THR 324 Cb 0.83 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2a5x n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2a5x s MET 325 N -1.76 4.23 -0.43 -0.78 0.00 -0.74 -4.98 119.30 114.84 2a5x s MET 325 Ca 0.34 1.17 -0.28 0.00 0.00 0.00 0.00 55.69 56.92 2a5x s MET 325 Cb 0.19 -3.64 -0.02 0.00 0.00 0.00 0.00 34.83 31.35 2a5x s MET 325 CO 0.28 -0.57 1.86 0.21 0.00 0.00 0.00 175.02 176.79 2a5x s LYS 326 N 3.02 3.03 -0.18 4.11 2.47 -1.26 -4.99 119.74 125.93 2a5x s LYS 326 Ca 0.40 1.17 -0.07 0.00 -1.56 0.00 0.00 55.97 55.91 2a5x s LYS 326 Cb -0.15 -4.28 -0.04 0.00 -1.46 0.00 0.00 37.83 31.90 2a5x s LYS 326 CO 0.07 -2.23 0.05 0.42 0.16 0.00 0.00 175.35 173.82 2a5x s ILE 327 N 7.94 4.66 -0.04 5.43 -1.09 -1.26 -3.46 121.20 133.37 2a5x s ILE 327 Ca 0.77 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 2a5x s ILE 327 Cb -0.19 -3.10 0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2a5x s ILE 327 CO 0.29 0.45 0.00 -0.75 -1.23 0.00 0.00 174.94 173.71 2a5x s LYS 328 N 0.46 0.36 -0.29 2.79 2.20 -0.66 -4.95 119.74 119.65 2a5x s LYS 328 Ca 0.02 0.08 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 2a5x s LYS 328 Cb -0.13 -0.57 -0.00 0.00 -1.51 0.00 0.00 37.83 35.62 2a5x s LYS 328 CO 0.01 -0.16 0.08 0.42 -0.36 0.00 0.00 175.35 175.34 2a5x s ILE 329 N 1.19 4.08 -0.27 5.43 -1.09 -1.26 -1.67 121.20 127.61 2a5x s ILE 329 Ca -0.07 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 2a5x s ILE 329 Cb -0.13 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2a5x s ILE 329 CO -0.02 0.14 0.27 -0.63 -1.23 0.00 0.00 174.94 173.47 2a5x s ILE 330 N 1.53 5.25 -0.51 2.92 1.09 0.17 -5.00 121.20 126.66 2a5x s ILE 330 Ca 0.04 0.35 0.03 0.00 -1.10 0.00 0.00 60.65 59.97 2a5x s ILE 330 Cb -0.17 -3.61 0.14 0.00 -1.06 0.00 0.00 42.46 37.77 2a5x s ILE 330 CO 0.03 0.21 0.30 0.00 -0.10 0.00 0.00 174.94 175.38 2a5x s ALA 331 N 1.90 2.76 0.50 9.38 0.00 -1.26 -1.31 121.76 133.73 2a5x s ALA 331 Ca 0.11 -3.03 -0.22 0.00 0.00 0.00 0.00 51.96 48.81 2a5x s ALA 331 Cb -0.16 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 2a5x s ALA 331 CO 0.10 -2.05 1.25 -2.14 0.00 0.00 0.00 175.76 172.93 2a5x s PRO 332 N -0.21 3.49 0.45 0.00 0.02 -1.26 -4.91 135.00 132.57 2a5x s PRO 332 Ca 0.20 1.99 0.11 0.00 0.02 0.00 0.00 61.00 63.31 2a5x s PRO 332 Cb -0.19 -2.35 1.00 0.00 0.02 0.00 0.00 34.50 32.99 2a5x s PRO 332 CO -0.04 -0.84 2.07 -1.35 -0.33 0.00 0.00 177.00 176.51 2a5x h PRO 333 N 1.79 0.28 -0.93 5.54 0.11 -1.99 -2.81 132.00 133.99 2a5x h PRO 333 Ca -0.50 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.33 2a5x h PRO 333 Cb 1.27 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 2a5x h PRO 333 CO 0.59 0.23 0.32 -0.85 -0.21 0.00 0.00 178.00 178.07 2a5x n GLU 334 N -4.46 2.23 0.00 1.05 0.00 -1.26 -4.61 120.64 113.59 2a5x n GLU 334 Ca 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 57.16 55.32 2a5x n GLU 334 Cb 0.11 -1.82 0.56 0.00 0.00 0.00 0.00 31.44 30.29 2a5x n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2a5x n ARG 335 N -0.32 0.20 0.27 3.44 1.85 -1.06 -1.60 116.66 119.44 2a5x n ARG 335 Ca 0.33 0.08 0.13 0.00 -1.00 0.00 0.00 57.85 57.39 2a5x n ARG 335 Cb 1.16 -1.50 0.75 0.00 -1.05 0.00 0.00 32.46 31.82 2a5x n ARG 335 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2a5x h LYS 336 N 0.00 0.00 0.00 2.89 1.57 -1.81 0.29 116.57 119.51 2a5x h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a5x h LYS 336 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2a5x h LYS 336 CO 0.00 0.10 -0.00 0.66 -0.57 0.00 0.00 179.45 179.64 2a5x n TYR 337 N -3.68 0.00 -0.17 -1.35 4.02 -0.63 -4.65 117.16 110.71 2a5x n TYR 337 Ca -0.02 -0.51 -0.01 0.00 -0.01 0.00 0.00 57.90 57.35 2a5x n TYR 337 Cb 0.22 -0.06 0.07 0.00 -0.02 0.00 0.00 39.34 39.55 2a5x n TYR 337 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2a5x h SER 338 N 0.00 -0.14 -0.12 7.72 0.02 -1.57 0.32 113.55 119.78 2a5x h SER 338 Ca 0.00 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2a5x h SER 338 Cb 0.57 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 2a5x h SER 338 CO 0.00 -0.04 -0.14 0.58 -1.14 0.00 0.00 176.83 176.08 2a5x h VAL 339 N 0.16 0.61 -0.30 2.27 2.07 -1.86 0.29 116.25 119.48 2a5x h VAL 339 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.82 2a5x h VAL 339 Cb 0.40 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2a5x h VAL 339 CO -0.41 0.00 0.09 -0.25 0.02 0.00 0.00 177.57 177.02 2a5x h TRP 340 N -0.18 0.16 -0.51 1.57 7.01 -1.70 -2.13 115.95 120.17 2a5x h TRP 340 Ca 0.09 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 2a5x h TRP 340 Cb 0.31 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2a5x h TRP 340 CO -0.26 0.06 0.15 0.82 -2.79 0.00 0.00 178.44 176.43 2a5x h ILE 341 N 0.22 1.23 -0.68 2.65 2.04 -0.33 -0.34 117.51 122.31 2a5x h ILE 341 Ca 0.14 -0.80 0.14 0.00 1.00 0.00 0.00 64.86 65.34 2a5x h ILE 341 Cb 0.12 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2a5x h ILE 341 CO -0.15 0.29 0.46 1.23 0.00 0.00 0.00 178.15 179.98 2a5x h GLY 342 N 0.70 0.52 0.62 5.37 0.00 -0.34 -0.29 103.07 109.66 2a5x h GLY 342 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2a5x h GLY 342 CO -0.00 0.05 -0.16 -1.33 0.00 0.00 0.00 176.54 175.10 2a5x h GLY 343 N 0.32 0.26 0.40 4.60 0.00 -0.51 -0.26 103.07 107.89 2a5x h GLY 343 Ca 0.33 -0.32 0.10 0.00 0.00 0.00 0.00 47.33 47.44 2a5x h GLY 343 CO -0.08 0.29 0.31 0.23 0.00 0.00 0.00 176.54 177.28 2a5x h SER 344 N -0.24 0.36 -0.02 0.19 0.87 -0.60 -0.01 113.55 114.09 2a5x h SER 344 Ca 0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2a5x h SER 344 Cb 0.75 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2a5x h SER 344 CO 0.04 0.20 0.01 0.40 -0.53 0.00 0.00 176.83 176.94 2a5x h ILE 345 N 0.52 1.18 -0.27 2.23 2.04 -1.01 -2.90 117.51 119.29 2a5x h ILE 345 Ca 0.35 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2a5x h ILE 345 Cb 0.41 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2a5x h ILE 345 CO -0.30 0.14 0.15 0.25 0.00 0.00 0.00 178.15 178.39 2a5x h LEU 346 N -0.17 0.33 -1.85 1.44 5.85 -0.78 -2.53 115.31 117.60 2a5x h LEU 346 Ca 0.01 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2a5x h LEU 346 Cb 0.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2a5x h LEU 346 CO -0.00 0.31 0.21 0.00 -0.34 0.00 0.00 178.44 178.63 2a5x h ALA 347 N 1.03 2.05 -0.00 1.25 0.00 -1.07 -1.47 119.26 121.05 2a5x h ALA 347 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a5x h ALA 347 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2a5x h ALA 347 CO -0.02 -0.11 -0.14 0.43 0.00 0.00 0.00 179.25 179.41 2a5x n SER 348 N -4.48 0.37 -4.69 0.00 7.64 -0.98 -4.89 113.62 106.59 2a5x n SER 348 Ca 0.03 -0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.18 2a5x n SER 348 Cb 0.25 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2a5x n SER 348 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2a5x s LEU 349 N -2.65 4.27 0.32 -3.43 1.43 -0.56 -4.93 118.68 113.13 2a5x s LEU 349 Ca 0.23 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 54.91 2a5x s LEU 349 Cb 0.19 -3.51 0.76 0.00 0.03 0.00 0.00 46.19 43.67 2a5x s LEU 349 CO 0.52 -0.39 1.82 -1.28 0.23 0.00 0.00 176.35 177.24 2a5x h SER 350 N 7.04 0.75 0.36 2.29 0.87 -1.91 0.19 113.55 123.13 2a5x h SER 350 Ca -0.33 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 2a5x h SER 350 Cb 1.16 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2a5x h SER 350 CO 0.83 0.32 -0.08 0.74 -0.53 0.00 0.00 176.83 178.11 2a5x h THR 351 N 0.76 0.43 0.00 2.23 2.02 -1.94 -2.94 112.91 113.47 2a5x h THR 351 Ca 0.52 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2a5x h THR 351 Cb 0.81 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2a5x h THR 351 CO -0.30 0.08 -0.90 0.33 0.37 0.00 0.00 175.52 175.11 2a5x n PHE 352 N -3.53 0.52 0.23 3.16 7.35 0.64 -4.25 117.46 121.58 2a5x n PHE 352 Ca -0.02 0.15 0.07 0.00 -0.76 0.00 0.00 57.45 56.89 2a5x n PHE 352 Cb 0.21 -0.64 0.58 0.00 0.35 0.00 0.00 39.48 39.98 2a5x n PHE 352 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2a5x h GLN 353 N 0.00 0.05 0.00 -4.13 1.08 -1.39 0.13 115.11 110.85 2a5x h GLN 353 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2a5x h GLN 353 Cb 0.80 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2a5x h GLN 353 CO 0.00 0.09 0.00 0.00 -0.95 0.00 0.00 178.83 177.97 2a5x n GLN 354 N -4.47 0.03 0.01 1.46 10.64 -1.26 -3.64 117.38 120.15 2a5x n GLN 354 Ca -0.02 0.20 0.08 0.00 -1.83 0.00 0.00 57.00 55.43 2a5x n GLN 354 Cb 0.13 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.89 2a5x n GLN 354 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 2a5x n MET 355 N -1.48 0.65 -1.51 2.61 2.81 0.45 -4.94 117.12 115.71 2a5x n MET 355 Ca 0.04 -0.06 -0.48 0.00 -1.81 0.00 0.00 57.70 55.40 2a5x n MET 355 Cb 0.19 -1.62 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 2a5x n MET 355 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2a5x n TRP 356 N -2.48 0.55 -3.40 2.03 7.02 -1.24 -4.85 117.44 115.08 2a5x n TRP 356 Ca -0.07 0.83 -0.39 0.00 -1.02 0.00 0.00 57.50 56.84 2a5x n TRP 356 Cb 0.66 -2.13 -0.09 0.00 -2.42 0.00 0.00 31.31 27.33 2a5x n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2a5x s ILE 357 N -0.79 5.18 0.41 -0.99 1.01 0.13 -4.88 121.20 121.25 2a5x s ILE 357 Ca 0.66 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 2a5x s ILE 357 Cb -0.86 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 2a5x s ILE 357 CO 0.57 0.14 0.79 0.42 0.00 0.00 0.00 174.94 176.86 2a5x s THR 358 N 2.06 4.74 0.42 2.92 -4.23 -1.26 -0.34 115.64 119.96 2a5x s THR 358 Ca 0.15 0.73 0.10 0.00 -1.18 0.00 0.00 61.69 61.49 2a5x s THR 358 Cb -0.16 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.26 2a5x s THR 358 CO 0.10 -0.50 2.03 0.50 -0.54 0.00 0.00 174.62 176.21 2a5x h LYS 359 N 1.34 0.47 0.29 3.99 3.64 -1.46 -1.67 116.57 123.17 2a5x h LYS 359 Ca -0.47 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2a5x h LYS 359 Cb 1.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2a5x h LYS 359 CO 0.64 0.31 -0.14 0.37 -2.27 0.00 0.00 179.45 178.35 2a5x h GLN 360 N 0.48 -0.38 -0.23 1.90 4.15 -1.94 -1.08 115.11 118.02 2a5x h GLN 360 Ca 0.20 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.71 2a5x h GLN 360 Cb 0.20 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 2a5x h GLN 360 CO -0.05 -0.26 -0.30 0.93 -1.93 0.00 0.00 178.83 177.22 2a5x h GLU 361 N -0.40 -0.31 -0.08 1.69 5.08 -1.79 -2.33 114.58 116.44 2a5x h GLU 361 Ca -0.04 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2a5x h GLU 361 Cb 0.31 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2a5x h GLU 361 CO 0.06 -0.21 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.91 2a5x h TYR 362 N -0.32 -0.10 0.00 4.33 3.20 -1.26 0.16 116.97 122.98 2a5x h TYR 362 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2a5x h TYR 362 Cb 0.52 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2a5x h TYR 362 CO -0.44 -0.07 0.00 -0.44 -1.64 0.00 0.00 178.16 175.58 2a5x h ASP 363 N -0.04 0.00 0.09 -2.11 3.32 -1.08 -2.49 116.42 114.11 2a5x h ASP 363 Ca 0.05 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.83 2a5x h ASP 363 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2a5x h ASP 363 CO -0.11 0.00 -1.40 -0.08 -1.72 0.00 0.00 179.24 175.93 2a5x h GLU 364 N 0.00 0.20 0.00 3.56 4.57 -0.99 -3.45 114.58 118.46 2a5x h GLU 364 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2a5x h GLU 364 Cb 0.32 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2a5x h GLU 364 CO 0.00 1.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.99 2a5x n ALA 365 N -3.03 0.00 0.00 2.92 0.00 0.01 -5.11 120.51 115.30 2a5x n ALA 365 Ca -0.26 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2a5x n ALA 365 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2a5x n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5x n GLY 366 N 1.92 3.84 0.00 0.00 0.00 -0.96 -4.94 105.19 105.06 2a5x n GLY 366 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2a5x n GLY 366 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a5x n PRO 367 N -1.98 0.00 0.01 1.61 -0.02 -1.26 -1.91 135.00 131.44 2a5x n PRO 367 Ca 0.00 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 61.82 2a5x n PRO 367 Cb 0.00 -1.52 0.14 0.00 -0.02 0.00 0.00 33.50 32.10 2a5x n PRO 367 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2a5x h SER 368 N 0.00 0.53 0.00 2.55 4.64 -1.97 -3.04 113.55 116.26 2a5x h SER 368 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2a5x h SER 368 Cb 0.03 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2a5x h SER 368 CO 0.00 0.85 0.40 0.00 -0.87 0.00 0.00 176.83 177.21 2a5x n ILE 369 N -4.05 0.25 -0.01 0.95 0.13 -0.80 -0.56 119.36 115.27 2a5x n ILE 369 Ca -0.01 0.46 -0.08 0.00 -1.10 0.00 0.00 62.75 62.01 2a5x n ILE 369 Cb 0.49 -1.46 0.11 0.00 -0.84 0.00 0.00 39.64 37.94 2a5x n ILE 369 CO 0.00 0.00 0.00 0.55 2.80 0.00 0.00 176.55 179.90 2a5x n VAL 370 N -1.03 1.88 0.00 9.51 3.14 -1.15 -3.84 118.33 126.84 2a5x n VAL 370 Ca 0.00 -0.85 0.00 0.00 -2.96 0.00 0.00 64.34 60.53 2a5x n VAL 370 Cb 0.40 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 2a5x n VAL 370 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2a5x n HIS 371 N -0.15 0.00 0.00 1.45 8.25 0.28 -4.36 115.22 120.68 2a5x n HIS 371 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2a5x n HIS 371 Cb 0.98 0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.17 2a5x n HIS 371 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2a5x n ARG 372 N -1.53 0.00 0.00 -0.41 1.74 -1.26 -5.67 116.66 109.52 2a5x n ARG 372 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2a5x n ARG 372 Cb 0.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2a5x n ARG 372 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2a5x n LYS 373 N 0.55 0.00 0.00 5.56 4.76 -1.25 -5.10 118.16 122.68 2a5x n LYS 373 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2a5x n LYS 373 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2a5x n LYS 373 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03