#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma6 h PHE 30 N 0.00 1.14 -0.70 4.28 3.57 -1.96 -3.17 116.94 120.09 3ma6 h PHE 30 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3ma6 h PHE 30 Cb 0.00 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3ma6 h PHE 30 CO 0.00 1.01 0.45 1.03 -2.23 0.00 0.00 178.31 178.58 3ma6 h SER 31 N 0.94 0.81 0.82 0.41 0.87 -2.05 -0.91 113.55 114.45 3ma6 h SER 31 Ca 0.16 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3ma6 h SER 31 Cb 0.58 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3ma6 h SER 31 CO 0.03 0.60 0.00 0.44 -0.53 0.00 0.00 176.83 177.37 3ma6 h ASP 32 N 0.95 0.00 0.00 6.23 5.19 -2.03 -3.36 116.42 123.39 3ma6 h ASP 32 Ca 0.25 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3ma6 h ASP 32 Cb -0.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 3ma6 h ASP 32 CO -0.05 0.00 -1.11 0.54 -3.12 0.00 0.00 179.24 175.50 3ma6 n ARG 33 N -2.33 0.98 -4.17 3.56 5.12 -0.95 -4.90 116.66 113.96 3ma6 n ARG 33 Ca 0.02 0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.79 3ma6 n ARG 33 Cb 0.25 -1.04 -0.12 0.00 -1.16 0.00 0.00 32.46 30.39 3ma6 n ARG 33 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3ma6 s TYR 34 N -2.04 0.84 -0.19 -1.55 1.51 -0.39 -1.18 117.35 114.35 3ma6 s TYR 34 Ca -0.02 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 3ma6 s TYR 34 Cb 0.01 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3ma6 s TYR 34 CO 0.05 -0.02 -0.06 -1.59 -1.11 0.00 0.00 175.55 172.82 3ma6 s LYS 35 N -1.22 3.44 0.23 -0.62 0.00 -0.30 -4.39 119.74 116.88 3ma6 s LYS 35 Ca -0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 55.97 55.02 3ma6 s LYS 35 Cb -0.08 -2.93 -0.09 0.00 0.00 0.00 0.00 37.83 34.74 3ma6 s LYS 35 CO 0.01 -0.04 1.06 0.20 0.00 0.00 0.00 175.35 176.58 3ma6 s GLY 36 N 1.06 3.01 0.00 0.59 0.00 -1.26 -1.21 107.32 109.51 3ma6 s GLY 36 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3ma6 s GLY 36 CO -0.00 1.48 0.00 -1.06 0.00 0.00 0.00 173.10 173.52 3ma6 n GLN 37 N 1.67 0.00 -2.92 2.90 3.00 0.57 -4.98 117.38 117.63 3ma6 n GLN 37 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.72 3ma6 n GLN 37 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.69 3ma6 n GLN 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3ma6 s ARG 38 N 2.67 3.54 -0.45 -1.09 1.70 -1.25 -4.84 118.95 119.23 3ma6 s ARG 38 Ca 0.00 0.04 -0.23 0.00 -0.47 0.00 0.00 55.73 55.06 3ma6 s ARG 38 Cb 0.00 -2.48 0.03 0.00 -0.57 0.00 0.00 34.95 31.92 3ma6 s ARG 38 CO 0.00 -0.06 0.79 0.08 -1.08 0.00 0.00 175.30 175.03 3ma6 s VAL 39 N -2.55 4.65 0.31 4.99 1.01 -1.26 -0.32 120.40 127.23 3ma6 s VAL 39 Ca 0.45 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.96 3ma6 s VAL 39 Cb -0.10 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.99 3ma6 s VAL 39 CO 0.40 -0.72 1.71 -0.07 0.00 0.00 0.00 175.10 176.43 3ma6 h LEU 40 N 10.13 0.11 0.00 3.92 3.38 -1.61 -3.48 115.31 127.77 3ma6 h LEU 40 Ca -0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3ma6 h LEU 40 Cb 1.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ma6 h LEU 40 CO 0.96 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.66 3ma6 n GLY 41 N -0.14 -0.83 3.75 0.83 0.00 -1.10 -5.03 105.19 102.67 3ma6 n GLY 41 Ca -0.02 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 3ma6 n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ma6 s LYS 42 N -1.80 3.42 0.00 1.61 2.47 -1.26 -0.01 119.74 124.17 3ma6 s LYS 42 Ca 0.00 -0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.13 3ma6 s LYS 42 Cb 0.00 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.31 3ma6 s LYS 42 CO 0.00 0.62 0.00 0.41 0.16 0.00 0.00 175.35 176.54 3ma6 n GLY 43 N 2.45 3.05 0.13 5.54 0.00 -0.14 -4.88 105.19 111.34 3ma6 n GLY 43 Ca -0.19 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 3ma6 n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ma6 h SER 44 N 0.00 -0.23 -0.50 1.61 0.02 -2.00 -3.39 113.55 109.07 3ma6 h SER 44 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ma6 h SER 44 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ma6 h SER 44 CO 0.00 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 176.24 3ma6 n PHE 45 N -3.98 1.62 0.00 3.45 3.72 -1.26 -5.03 117.46 115.98 3ma6 n PHE 45 Ca -0.03 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 3ma6 n PHE 45 Cb 0.11 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 3ma6 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ma6 n GLY 46 N 0.41 0.77 3.76 1.37 0.00 -1.26 -4.27 105.19 105.98 3ma6 n GLY 46 Ca 0.25 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 3ma6 n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ma6 s GLU 47 N -2.00 4.73 -0.19 1.61 2.12 -1.21 -0.97 118.70 122.80 3ma6 s GLU 47 Ca 0.00 1.44 -0.08 0.00 0.36 0.00 0.00 54.97 56.68 3ma6 s GLU 47 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 3ma6 s GLU 47 CO 0.00 0.40 0.09 0.08 -0.54 0.00 0.00 175.26 175.30 3ma6 s VAL 48 N -1.36 5.07 0.01 3.70 1.01 0.99 -1.06 120.40 128.77 3ma6 s VAL 48 Ca 0.45 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3ma6 s VAL 48 Cb -0.23 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3ma6 s VAL 48 CO 0.29 0.46 -0.13 0.27 0.00 0.00 0.00 175.10 175.99 3ma6 s ILE 49 N 0.30 1.05 -0.08 2.22 -0.00 -0.53 -1.54 121.20 122.61 3ma6 s ILE 49 Ca 0.06 -0.77 -0.30 0.00 -0.00 0.00 0.00 60.65 59.64 3ma6 s ILE 49 Cb -0.12 -0.92 -0.02 0.00 -0.00 0.00 0.00 42.46 41.41 3ma6 s ILE 49 CO -0.01 0.14 1.06 -0.22 -0.00 0.00 0.00 174.94 175.91 3ma6 s LEU 50 N -0.73 4.26 0.06 0.37 2.96 0.57 -1.44 118.68 124.74 3ma6 s LEU 50 Ca 0.03 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.62 3ma6 s LEU 50 Cb -0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 3ma6 s LEU 50 CO 0.00 -0.47 -0.15 0.00 -1.32 0.00 0.00 176.35 174.42 3ma6 s LYS 52 N -1.51 2.92 0.07 0.00 -0.14 -0.35 0.75 119.74 121.49 3ma6 s LYS 52 Ca -0.00 -0.60 -0.31 0.00 -1.36 0.00 0.00 55.97 53.70 3ma6 s LYS 52 Cb -0.09 -2.59 -0.08 0.00 -1.68 0.00 0.00 37.83 33.39 3ma6 s LYS 52 CO 0.02 0.52 1.63 0.34 -0.76 0.00 0.00 175.35 177.10 3ma6 s ASP 53 N -0.43 6.62 0.08 2.83 3.68 -0.47 -1.15 116.67 127.82 3ma6 s ASP 53 Ca 0.06 2.47 0.11 0.00 2.13 0.00 0.00 52.55 57.33 3ma6 s ASP 53 Cb -0.12 -2.57 0.52 0.00 -1.45 0.00 0.00 42.92 39.30 3ma6 s ASP 53 CO 0.02 -0.87 1.35 0.29 0.13 0.00 0.00 175.17 176.09 3ma6 n LYS 54 N 5.44 0.05 -0.02 4.34 5.02 -0.33 -0.97 118.16 131.69 3ma6 n LYS 54 Ca 0.15 0.42 -0.04 0.00 -2.02 0.00 0.00 58.31 56.83 3ma6 n LYS 54 Cb 0.41 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3ma6 n LYS 54 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3ma6 n ILE 55 N -1.71 0.26 0.09 -0.18 -6.64 -1.26 -4.81 119.36 105.11 3ma6 n ILE 55 Ca 0.01 -0.08 0.11 0.00 -1.77 0.00 0.00 62.75 61.03 3ma6 n ILE 55 Cb 0.09 -1.16 -0.03 0.00 -1.44 0.00 0.00 39.64 37.11 3ma6 n ILE 55 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 3ma6 n THR 56 N -2.95 0.52 -0.99 7.28 -2.24 -1.24 -4.98 114.28 109.69 3ma6 n THR 56 Ca -0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3ma6 n THR 56 Cb 0.57 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3ma6 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ma6 n GLY 57 N 1.19 0.85 3.71 3.38 0.00 -0.14 -4.97 105.19 109.21 3ma6 n GLY 57 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3ma6 n GLY 57 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ma6 s GLN 58 N -0.04 4.22 0.08 1.61 0.74 -1.26 -4.48 119.66 120.53 3ma6 s GLN 58 Ca 0.00 2.31 -0.31 0.00 0.05 0.00 0.00 55.36 57.42 3ma6 s GLN 58 Cb 0.00 -3.34 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 3ma6 s GLN 58 CO 0.00 -0.64 1.23 -1.21 -0.55 0.00 0.00 175.29 174.12 3ma6 s GLU 59 N 1.72 4.42 0.34 1.67 2.02 -1.26 -1.37 118.70 126.24 3ma6 s GLU 59 Ca 0.71 1.82 0.03 0.00 0.02 0.00 0.00 54.97 57.55 3ma6 s GLU 59 Cb -0.41 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 3ma6 s GLU 59 CO 0.31 -0.28 0.11 0.00 0.02 0.00 0.00 175.26 175.42 3ma6 s ALA 61 N -3.39 2.23 -0.11 0.00 0.00 0.15 -1.38 121.76 119.27 3ma6 s ALA 61 Ca 0.32 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3ma6 s ALA 61 Cb 0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 3ma6 s ALA 61 CO 0.15 0.21 -0.21 0.54 0.00 0.00 0.00 175.76 176.45 3ma6 s VAL 62 N 0.45 2.30 -0.41 0.00 0.11 -0.52 -0.74 120.40 121.59 3ma6 s VAL 62 Ca -0.15 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 57.82 3ma6 s VAL 62 Cb -0.17 -1.91 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3ma6 s VAL 62 CO 0.06 0.55 0.31 -0.54 -3.33 0.00 0.00 175.10 172.15 3ma6 s LYS 63 N 0.38 2.97 -0.83 1.54 1.02 0.11 -1.45 119.74 123.47 3ma6 s LYS 63 Ca -0.16 -1.04 -0.20 0.00 0.02 0.00 0.00 55.97 54.58 3ma6 s LYS 63 Cb -0.17 -3.99 0.10 0.00 -0.52 0.00 0.00 37.83 33.25 3ma6 s LYS 63 CO 0.07 -0.77 1.08 0.14 -0.92 0.00 0.00 175.35 174.95 3ma6 s VAL 64 N 1.68 4.53 -0.76 3.17 -7.23 -0.22 -2.26 120.40 119.29 3ma6 s VAL 64 Ca 0.05 -1.06 -0.22 0.00 -1.81 0.00 0.00 61.98 58.94 3ma6 s VAL 64 Cb -0.19 -4.76 0.07 0.00 0.56 0.00 0.00 36.38 32.06 3ma6 s VAL 64 CO 0.10 -1.51 1.09 -0.63 -0.31 0.00 0.00 175.10 173.84 3ma6 s ILE 65 N 3.35 4.28 0.03 -0.62 1.01 -0.08 -3.34 121.20 125.83 3ma6 s ILE 65 Ca 0.29 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 3ma6 s ILE 65 Cb -0.09 -4.78 -0.08 0.00 0.01 0.00 0.00 42.46 37.52 3ma6 s ILE 65 CO -0.02 -1.57 1.84 -0.55 0.00 0.00 0.00 174.94 174.64 3ma6 s SER 66 N 3.81 6.51 0.48 3.58 0.15 -1.26 -1.73 113.70 125.25 3ma6 s SER 66 Ca 0.28 2.56 0.22 0.00 0.70 0.00 0.00 55.95 59.71 3ma6 s SER 66 Cb -0.12 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 62.90 3ma6 s SER 66 CO 0.05 -1.00 2.02 0.07 1.20 0.00 0.00 173.24 175.58 3ma6 h LYS 67 N 9.86 0.00 -0.25 5.44 -0.00 -1.73 -0.57 116.57 129.33 3ma6 h LYS 67 Ca -0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.04 3ma6 h LYS 67 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3ma6 h LYS 67 CO 0.94 0.16 -0.42 0.07 -0.00 0.00 0.00 179.45 180.21 3ma6 h ARG 68 N 0.00 0.73 0.00 0.07 0.11 -1.92 -3.35 114.38 110.03 3ma6 h ARG 68 Ca -0.00 -0.45 -0.03 0.00 0.10 0.00 0.00 59.98 59.60 3ma6 h ARG 68 Cb 0.36 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 3ma6 h ARG 68 CO 0.02 1.07 -1.77 0.00 0.10 0.00 0.00 179.97 179.39 3ma6 n GLN 69 N -4.17 0.65 -4.61 0.08 10.64 -1.17 -4.92 117.38 113.87 3ma6 n GLN 69 Ca -0.05 -0.10 -0.33 0.00 -1.83 0.00 0.00 57.00 54.69 3ma6 n GLN 69 Cb 0.55 -1.60 -0.15 0.00 -0.86 0.00 0.00 30.24 28.18 3ma6 n GLN 69 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3ma6 s VAL 70 N -3.40 2.90 0.22 -0.39 1.01 -0.23 -4.02 120.40 116.47 3ma6 s VAL 70 Ca -0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 3ma6 s VAL 70 Cb 0.12 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 3ma6 s VAL 70 CO 0.87 0.51 0.51 -1.59 0.00 0.00 0.00 175.10 175.41 3ma6 s LYS 71 N 0.63 3.74 -0.43 2.72 0.00 -1.26 -4.45 119.74 120.70 3ma6 s LYS 71 Ca -0.07 0.16 -0.19 0.00 0.00 0.00 0.00 55.97 55.87 3ma6 s LYS 71 Cb -0.16 -2.69 0.02 0.00 0.00 0.00 0.00 37.83 35.00 3ma6 s LYS 71 CO 0.03 0.34 0.53 -0.65 0.00 0.00 0.00 175.35 175.60 3ma6 s GLN 72 N -2.85 3.19 0.50 1.78 -0.21 -1.26 -2.44 119.66 118.38 3ma6 s GLN 72 Ca 0.46 -0.57 0.30 0.00 0.02 0.00 0.00 55.36 55.57 3ma6 s GLN 72 Cb -0.11 -3.95 1.09 0.00 1.00 0.00 0.00 33.01 31.04 3ma6 s GLN 72 CO 0.23 -0.91 1.88 0.87 -2.12 0.00 0.00 175.29 175.23 3ma6 h LYS 73 N 8.78 0.00 -5.58 2.91 6.56 -0.96 -3.46 116.57 124.82 3ma6 h LYS 73 Ca -0.26 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 58.76 3ma6 h LYS 73 Cb 1.10 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.63 3ma6 h LYS 73 CO 0.84 0.00 -0.62 0.95 -2.06 0.00 0.00 179.45 178.55 3ma6 s THR 74 N -3.53 1.80 0.30 -0.16 -4.23 -1.25 -4.99 115.64 103.57 3ma6 s THR 74 Ca 0.03 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.20 3ma6 s THR 74 Cb 0.08 -2.83 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 3ma6 s THR 74 CO 0.57 -0.07 1.18 1.51 -0.54 0.00 0.00 174.62 177.27 3ma6 s ASP 75 N -3.61 7.08 0.42 3.99 3.84 -1.26 -4.89 116.67 122.24 3ma6 s ASP 75 Ca 0.34 2.43 0.28 0.00 -0.00 0.00 0.00 52.55 55.60 3ma6 s ASP 75 Cb 0.08 -2.64 1.42 0.00 -1.38 0.00 0.00 42.92 40.41 3ma6 s ASP 75 CO 0.16 -0.29 1.59 0.11 -0.00 0.00 0.00 175.17 176.74 3ma6 h LYS 76 N 3.68 0.04 -0.01 2.11 1.79 -2.00 -0.13 116.57 122.04 3ma6 h LYS 76 Ca -0.48 -0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.73 3ma6 h LYS 76 Cb 1.22 -0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.88 3ma6 h LYS 76 CO 0.66 0.03 -1.02 0.93 -1.08 0.00 0.00 179.45 178.97 3ma6 h GLU 77 N 0.04 0.69 0.00 3.15 5.08 -2.00 -3.19 114.58 118.35 3ma6 h GLU 77 Ca 0.85 -0.73 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3ma6 h GLU 77 Cb 2.57 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 32.02 3ma6 h GLU 77 CO -0.54 1.31 -0.34 0.66 -1.00 0.00 0.00 179.01 179.10 3ma6 h SER 78 N 0.39 0.00 -0.12 1.42 4.64 -1.40 -0.84 113.55 117.64 3ma6 h SER 78 Ca -0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3ma6 h SER 78 Cb 1.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3ma6 h SER 78 CO 0.20 0.34 -0.07 0.25 -0.87 0.00 0.00 176.83 176.68 3ma6 h LEU 79 N 0.00 0.27 -1.17 5.97 5.85 -1.57 -2.60 115.31 122.06 3ma6 h LEU 79 Ca -0.00 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 3ma6 h LEU 79 Cb 0.67 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3ma6 h LEU 79 CO 0.04 0.64 -0.26 0.25 -0.34 0.00 0.00 178.44 178.78 3ma6 h LEU 80 N -0.10 0.25 -0.60 2.25 6.46 -1.51 -1.61 115.31 120.46 3ma6 h LEU 80 Ca 0.03 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 3ma6 h LEU 80 Cb 0.54 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3ma6 h LEU 80 CO 0.02 0.52 -0.01 0.03 -0.62 0.00 0.00 178.44 178.37 3ma6 h ARG 81 N 0.23 1.07 -0.07 1.25 3.08 -1.12 -2.02 114.38 116.80 3ma6 h ARG 81 Ca 0.04 -0.35 -0.16 0.00 0.07 0.00 0.00 59.98 59.58 3ma6 h ARG 81 Cb 0.59 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.55 3ma6 h ARG 81 CO 0.04 1.05 -0.56 1.49 -1.07 0.00 0.00 179.97 180.92 3ma6 h GLU 82 N 0.97 0.51 -0.86 0.04 4.81 -1.29 -3.09 114.58 115.67 3ma6 h GLU 82 Ca 0.17 -0.45 0.09 0.00 -0.13 0.00 0.00 59.36 59.03 3ma6 h GLU 82 Cb 0.58 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 3ma6 h GLU 82 CO 0.03 1.09 0.51 0.28 -0.73 0.00 0.00 179.01 180.19 3ma6 h VAL 83 N 0.09 0.95 -0.62 0.32 2.07 -1.28 0.13 116.25 117.91 3ma6 h VAL 83 Ca -0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ma6 h VAL 83 Cb 1.23 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3ma6 h VAL 83 CO 0.11 0.16 0.40 -0.61 0.02 0.00 0.00 177.57 177.66 3ma6 h GLN 84 N 0.87 0.83 -0.34 1.57 5.75 -1.40 -0.90 115.11 121.48 3ma6 h GLN 84 Ca 0.40 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.74 3ma6 h GLN 84 Cb 0.32 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3ma6 h GLN 84 CO -0.23 0.56 -0.19 1.25 -2.65 0.00 0.00 178.83 177.58 3ma6 h LEU 85 N 0.84 0.76 -1.11 -2.39 7.12 -1.24 -3.17 115.31 116.12 3ma6 h LEU 85 Ca 0.23 -0.41 0.04 0.00 0.13 0.00 0.00 57.88 57.86 3ma6 h LEU 85 Cb -0.07 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.79 3ma6 h LEU 85 CO -0.05 1.01 0.60 -0.07 -0.13 0.00 0.00 178.44 179.80 3ma6 h LEU 86 N 0.51 0.98 -1.03 2.25 3.38 -0.40 -2.48 115.31 118.52 3ma6 h LEU 86 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ma6 h LEU 86 Cb 0.73 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ma6 h LEU 86 CO 0.05 0.67 0.36 0.11 0.09 0.00 0.00 178.44 179.72 3ma6 h LYS 87 N 1.14 1.04 0.00 1.13 1.57 -1.15 -2.73 116.57 117.57 3ma6 h LYS 87 Ca 0.37 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3ma6 h LYS 87 Cb 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3ma6 h LYS 87 CO -0.12 0.80 -0.38 1.96 -0.57 0.00 0.00 179.45 181.13 3ma6 h GLN 88 N 1.04 0.00 -6.39 3.15 7.50 -1.46 -3.46 115.11 115.49 3ma6 h GLN 88 Ca 0.25 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.86 3ma6 h GLN 88 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 3ma6 h GLN 88 CO -0.03 0.38 0.81 -0.51 -1.50 0.00 0.00 178.83 177.98 3ma6 s LEU 89 N -6.82 4.32 -0.06 1.46 1.43 -1.03 -5.03 118.68 112.95 3ma6 s LEU 89 Ca 0.01 2.13 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 3ma6 s LEU 89 Cb 0.10 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.78 3ma6 s LEU 89 CO 0.69 -0.70 0.00 -0.62 0.23 0.00 0.00 176.35 175.95 3ma6 s ASP 90 N 1.78 1.30 -0.17 2.29 2.15 -1.26 -4.74 116.67 118.01 3ma6 s ASP 90 Ca 0.64 -0.07 -0.16 0.00 0.43 0.00 0.00 52.55 53.39 3ma6 s ASP 90 Cb -0.32 -0.38 0.05 0.00 -0.30 0.00 0.00 42.92 41.97 3ma6 s ASP 90 CO 0.27 -0.17 0.46 -2.28 -0.17 0.00 0.00 175.17 173.28 3ma6 s HIS 91 N 1.72 -0.51 -1.32 -5.34 2.46 -1.26 -5.07 115.29 105.97 3ma6 s HIS 91 Ca 0.01 1.25 0.06 0.00 0.47 0.00 0.00 55.06 56.85 3ma6 s HIS 91 Cb -0.13 0.18 0.29 0.00 -0.13 0.00 0.00 32.58 32.80 3ma6 s HIS 91 CO -0.04 -0.25 1.08 -2.30 -2.47 0.00 0.00 174.74 170.76 3ma6 n PRO 92 N 2.87 0.06 -0.02 2.88 -0.02 -1.26 -2.66 135.00 136.85 3ma6 n PRO 92 Ca -0.14 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3ma6 n PRO 92 Cb 0.57 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.57 3ma6 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ma6 n ASN 93 N -1.34 1.87 -4.28 2.55 3.02 -1.26 -4.75 115.26 111.08 3ma6 n ASN 93 Ca 0.03 -1.72 -0.28 0.00 -0.03 0.00 0.00 54.58 52.57 3ma6 n ASN 93 Cb 0.05 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 3ma6 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ma6 s ILE 94 N -0.75 1.84 0.04 2.41 1.01 -1.09 -0.50 121.20 124.17 3ma6 s ILE 94 Ca 0.04 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 3ma6 s ILE 94 Cb 0.02 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.84 3ma6 s ILE 94 CO 0.03 0.33 1.58 -0.32 0.00 0.00 0.00 174.94 176.56 3ma6 s MET 95 N -1.04 4.22 -0.07 2.79 -2.45 -0.73 -4.67 119.30 117.36 3ma6 s MET 95 Ca 0.09 2.21 -0.30 0.00 -1.25 0.00 0.00 55.69 56.45 3ma6 s MET 95 Cb -0.09 -3.61 -0.03 0.00 1.25 0.00 0.00 34.83 32.35 3ma6 s MET 95 CO 0.01 -0.69 1.16 0.21 1.05 0.00 0.00 175.02 176.76 3ma6 s LYS 96 N 2.64 4.36 -0.22 4.11 2.36 -1.26 -4.96 119.74 126.77 3ma6 s LYS 96 Ca 0.71 1.61 -0.18 0.00 -2.55 0.00 0.00 55.97 55.56 3ma6 s LYS 96 Cb -0.37 -3.56 -0.03 0.00 -1.05 0.00 0.00 37.83 32.83 3ma6 s LYS 96 CO 0.30 -0.42 0.53 -1.17 1.55 0.00 0.00 175.35 176.14 3ma6 s LEU 97 N 2.19 4.11 -0.19 5.43 1.98 -1.26 -1.76 118.68 129.18 3ma6 s LEU 97 Ca 0.54 0.63 -0.16 0.00 -2.89 0.00 0.00 54.13 52.25 3ma6 s LEU 97 Cb -0.23 -2.71 -0.12 0.00 0.66 0.00 0.00 46.19 43.79 3ma6 s LEU 97 CO 0.21 -0.23 0.01 -1.22 -1.89 0.00 0.00 176.35 173.23 3ma6 n TYR 98 N 5.09 0.88 -3.66 5.38 0.53 0.41 -4.42 117.16 121.37 3ma6 n TYR 98 Ca -0.04 0.38 -0.10 0.00 -1.02 0.00 0.00 57.90 57.12 3ma6 n TYR 98 Cb 0.50 -0.95 -0.04 0.00 -1.03 0.00 0.00 39.34 37.82 3ma6 n TYR 98 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 3ma6 s GLU 99 N -2.35 1.15 -0.01 -0.72 8.01 -0.98 -4.96 118.70 118.85 3ma6 s GLU 99 Ca -0.24 -0.75 0.05 0.00 0.01 0.00 0.00 54.97 54.04 3ma6 s GLU 99 Cb 0.05 0.48 -0.01 0.00 -4.31 0.00 0.00 34.13 30.34 3ma6 s GLU 99 CO 0.44 -0.46 -0.16 0.12 0.01 0.00 0.00 175.26 175.20 3ma6 s PHE 100 N -3.82 1.47 0.05 1.61 5.36 -1.26 -0.86 117.98 120.53 3ma6 s PHE 100 Ca 0.05 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 3ma6 s PHE 100 Cb 0.01 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 41.73 3ma6 s PHE 100 CO -0.10 -0.02 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.48 3ma6 s PHE 101 N -0.43 0.93 -0.13 10.12 0.08 0.51 -5.00 117.98 124.07 3ma6 s PHE 101 Ca 0.06 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 3ma6 s PHE 101 Cb -0.06 -0.54 0.04 0.00 -0.57 0.00 0.00 43.02 41.89 3ma6 s PHE 101 CO -0.00 -0.01 0.31 -1.21 -0.10 0.00 0.00 175.22 174.20 3ma6 s GLU 102 N -1.59 0.32 0.00 0.44 8.01 -1.26 0.01 118.70 124.62 3ma6 s GLU 102 Ca -0.06 0.55 0.00 0.00 0.01 0.00 0.00 54.97 55.47 3ma6 s GLU 102 Cb -0.10 0.03 0.00 0.00 -4.31 0.00 0.00 34.13 29.75 3ma6 s GLU 102 CO 0.01 -0.11 0.00 -0.40 0.01 0.00 0.00 175.26 174.77 3ma6 n ASP 103 N 3.69 1.12 -0.13 -0.19 3.85 -1.13 -5.04 116.55 118.71 3ma6 n ASP 103 Ca -0.20 -0.57 0.14 0.00 -0.71 0.00 0.00 54.79 53.45 3ma6 n ASP 103 Cb 0.56 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 40.95 3ma6 n ASP 103 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3ma6 n LYS 104 N 0.00 0.76 -0.02 0.11 2.85 -1.26 -4.35 118.16 116.26 3ma6 n LYS 104 Ca 0.00 -0.27 -0.04 0.00 -1.05 0.00 0.00 58.31 56.95 3ma6 n LYS 104 Cb 0.00 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 3ma6 n LYS 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ma6 n GLY 105 N 1.26 -0.07 0.05 2.58 0.00 -1.26 -5.01 105.19 102.73 3ma6 n GLY 105 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ma6 n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ma6 n TYR 106 N -2.91 -0.00 -3.80 1.61 4.02 -1.26 -2.73 117.16 112.09 3ma6 n TYR 106 Ca -0.09 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.90 57.62 3ma6 n TYR 106 Cb 0.58 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.75 3ma6 n TYR 106 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 3ma6 s PHE 107 N -1.75 -0.01 -0.21 -0.72 -0.71 -0.70 -2.82 117.98 111.05 3ma6 s PHE 107 Ca 0.00 0.13 0.02 0.00 -1.04 0.00 0.00 56.93 56.04 3ma6 s PHE 107 Cb 0.00 -0.13 0.04 0.00 -1.21 0.00 0.00 43.02 41.72 3ma6 s PHE 107 CO 0.00 -0.07 -0.14 0.71 -1.34 0.00 0.00 175.22 174.39 3ma6 s TYR 108 N 0.68 2.84 -0.31 3.49 2.02 0.10 -0.90 117.35 125.27 3ma6 s TYR 108 Ca -0.06 -1.87 -0.07 0.00 -0.37 0.00 0.00 57.07 54.71 3ma6 s TYR 108 Cb -0.08 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3ma6 s TYR 108 CO -0.02 -0.81 0.09 -0.51 -1.57 0.00 0.00 175.55 172.73 3ma6 s LEU 109 N 1.26 4.01 -0.18 -1.29 1.02 -0.96 -0.37 118.68 122.16 3ma6 s LEU 109 Ca -0.02 -0.84 -0.07 0.00 0.02 0.00 0.00 54.13 53.22 3ma6 s LEU 109 Cb -0.16 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 3ma6 s LEU 109 CO -0.09 -0.24 0.05 -0.69 0.02 0.00 0.00 176.35 175.41 3ma6 s VAL 110 N 1.47 4.64 0.33 -1.59 1.01 -0.04 -0.71 120.40 125.51 3ma6 s VAL 110 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3ma6 s VAL 110 Cb -0.18 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3ma6 s VAL 110 CO 0.03 0.45 0.45 0.61 0.00 0.00 0.00 175.10 176.64 3ma6 n GLY 111 N 3.65 2.21 3.73 4.51 0.00 0.08 -0.44 105.19 118.93 3ma6 n GLY 111 Ca -0.17 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3ma6 n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ma6 s GLU 112 N -2.77 4.18 -0.01 1.61 2.12 -0.72 -0.68 118.70 122.43 3ma6 s GLU 112 Ca 0.28 2.45 -0.17 0.00 0.36 0.00 0.00 54.97 57.89 3ma6 s GLU 112 Cb -0.01 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.22 3ma6 s GLU 112 CO 0.20 -0.62 0.48 0.54 -0.54 0.00 0.00 175.26 175.32 3ma6 s VAL 113 N 0.75 4.99 -0.09 3.70 0.11 -1.26 -4.62 120.40 123.98 3ma6 s VAL 113 Ca 0.68 0.99 0.03 0.00 -2.93 0.00 0.00 61.98 60.75 3ma6 s VAL 113 Cb -0.46 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 30.58 3ma6 s VAL 113 CO 0.36 0.49 -0.20 -0.31 -3.33 0.00 0.00 175.10 172.12 3ma6 s TYR 114 N -0.57 2.62 -0.79 1.54 1.51 -1.26 -5.01 117.35 115.39 3ma6 s TYR 114 Ca 0.26 -0.72 0.21 0.00 -1.01 0.00 0.00 57.07 55.81 3ma6 s TYR 114 Cb -0.17 -1.71 -0.25 0.00 -0.11 0.00 0.00 41.96 39.72 3ma6 s TYR 114 CO 0.14 -0.22 0.81 0.25 -1.11 0.00 0.00 175.55 175.41 3ma6 n THR 115 N 3.22 0.00 0.59 -0.71 -2.24 -0.75 -4.52 114.28 109.87 3ma6 n THR 115 Ca -0.18 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3ma6 n THR 115 Cb 0.53 0.80 0.43 0.00 -2.10 0.00 0.00 70.33 69.98 3ma6 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ma6 n GLY 116 N 1.45 -1.25 7.00 3.38 0.00 -0.72 -4.47 105.19 110.59 3ma6 n GLY 116 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ma6 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ma6 n GLY 117 N 0.45 -1.03 3.71 -0.02 0.00 -1.24 -4.56 105.19 102.50 3ma6 n GLY 117 Ca 0.04 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3ma6 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ma6 s GLU 118 N 0.00 4.37 0.23 1.61 2.02 -1.26 -0.51 118.70 125.16 3ma6 s GLU 118 Ca 0.00 1.89 -0.06 0.00 0.02 0.00 0.00 54.97 56.82 3ma6 s GLU 118 Cb 0.00 -3.35 0.38 0.00 0.10 0.00 0.00 34.13 31.25 3ma6 s GLU 118 CO 0.00 -0.36 1.75 1.25 0.02 0.00 0.00 175.26 177.92 3ma6 h LEU 119 N 7.05 0.35 -1.40 1.80 5.85 -1.61 -2.33 115.31 125.02 3ma6 h LEU 119 Ca -0.41 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3ma6 h LEU 119 Cb 1.21 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3ma6 h LEU 119 CO 0.84 0.18 0.05 -0.26 -0.34 0.00 0.00 178.44 178.91 3ma6 h PHE 120 N 0.51 0.45 -0.19 1.25 -1.00 -1.85 -2.25 116.94 113.85 3ma6 h PHE 120 Ca 0.37 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 61.05 3ma6 h PHE 120 Cb 0.47 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 3ma6 h PHE 120 CO -0.14 0.42 -0.18 -0.44 -1.61 0.00 0.00 178.31 176.36 3ma6 h ASP 121 N 0.44 0.32 -0.13 2.17 3.32 -1.82 -1.64 116.42 119.07 3ma6 h ASP 121 Ca 0.10 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3ma6 h ASP 121 Cb 0.21 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.69 3ma6 h ASP 121 CO 0.00 0.52 -0.64 -0.08 -1.72 0.00 0.00 179.24 177.32 3ma6 h GLU 122 N 0.30 0.66 0.11 3.56 4.57 -1.38 -2.91 114.58 119.49 3ma6 h GLU 122 Ca 0.05 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 3ma6 h GLU 122 Cb 0.50 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ma6 h GLU 122 CO 0.03 1.15 -0.05 0.82 -1.18 0.00 0.00 179.01 179.78 3ma6 h ILE 123 N 0.33 0.91 -0.82 2.32 1.08 -1.16 -2.42 117.51 117.75 3ma6 h ILE 123 Ca -0.04 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.42 3ma6 h ILE 123 Cb 1.27 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.91 3ma6 h ILE 123 CO 0.13 0.02 0.50 0.40 -0.69 0.00 0.00 178.15 178.51 3ma6 h ILE 124 N -0.18 1.05 0.00 -0.67 2.04 -1.41 -2.27 117.51 116.08 3ma6 h ILE 124 Ca -0.02 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3ma6 h ILE 124 Cb 0.14 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3ma6 h ILE 124 CO 0.02 0.17 -0.18 0.77 0.00 0.00 0.00 178.15 178.94 3ma6 h SER 125 N 0.93 0.00 -4.28 1.72 4.64 -1.29 -3.45 113.55 111.81 3ma6 h SER 125 Ca 0.35 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.15 3ma6 h SER 125 Cb 0.14 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.41 3ma6 h SER 125 CO -0.16 0.18 0.26 -0.13 -0.87 0.00 0.00 176.83 176.10 3ma6 s ARG 126 N -4.26 1.43 -0.05 4.77 0.52 -0.85 -5.00 118.95 115.51 3ma6 s ARG 126 Ca -0.03 1.42 0.12 0.00 -0.52 0.00 0.00 55.73 56.73 3ma6 s ARG 126 Cb 0.14 -1.78 -0.23 0.00 0.52 0.00 0.00 34.95 33.59 3ma6 s ARG 126 CO 0.63 -2.30 0.64 1.63 0.02 0.00 0.00 175.30 175.92 3ma6 n LYS 127 N -4.00 0.64 -3.73 3.54 4.01 -1.26 -4.92 118.16 112.44 3ma6 n LYS 127 Ca 0.11 0.29 -0.12 0.00 -0.51 0.00 0.00 58.31 58.08 3ma6 n LYS 127 Cb 0.52 -1.78 -0.13 0.00 -0.51 0.00 0.00 35.03 33.13 3ma6 n LYS 127 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3ma6 s ARG 128 N -2.59 0.23 -0.32 1.97 1.70 -1.26 -5.13 118.95 113.54 3ma6 s ARG 128 Ca -0.05 0.55 0.01 0.00 -0.47 0.00 0.00 55.73 55.77 3ma6 s ARG 128 Cb 0.08 -0.10 0.10 0.00 -0.57 0.00 0.00 34.95 34.46 3ma6 s ARG 128 CO 0.82 -0.16 0.07 0.12 -1.08 0.00 0.00 175.30 175.08 3ma6 s PHE 129 N 1.22 2.50 0.65 5.89 2.19 -1.26 -5.09 117.98 124.07 3ma6 s PHE 129 Ca -0.09 -2.21 -0.00 0.00 0.33 0.00 0.00 56.93 54.96 3ma6 s PHE 129 Cb -0.10 -2.16 0.08 0.00 -1.31 0.00 0.00 43.02 39.54 3ma6 s PHE 129 CO -0.09 -0.90 0.91 -1.54 1.83 0.00 0.00 175.22 175.44 3ma6 s SER 130 N 1.34 4.75 0.36 6.13 1.04 -1.26 -4.99 113.70 121.08 3ma6 s SER 130 Ca 0.10 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.42 3ma6 s SER 130 Cb -0.18 -0.44 0.70 0.00 0.10 0.00 0.00 66.02 66.20 3ma6 s SER 130 CO -0.18 -1.56 1.95 -0.33 0.98 0.00 0.00 173.24 174.10 3ma6 h GLU 131 N -0.30 0.56 -0.89 4.02 5.08 -1.98 -2.52 114.58 118.54 3ma6 h GLU 131 Ca -0.39 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3ma6 h GLU 131 Cb 1.28 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3ma6 h GLU 131 CO 0.47 0.48 0.53 0.28 -1.00 0.00 0.00 179.01 179.77 3ma6 h VAL 132 N 0.55 1.25 -0.47 3.13 2.07 -1.95 -1.59 116.25 119.24 3ma6 h VAL 132 Ca 0.13 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3ma6 h VAL 132 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3ma6 h VAL 132 CO -0.01 0.26 -0.13 0.44 0.02 0.00 0.00 177.57 178.15 3ma6 h ASP 133 N 1.23 0.93 0.09 0.57 3.32 -1.77 -2.43 116.42 118.35 3ma6 h ASP 133 Ca 0.32 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3ma6 h ASP 133 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3ma6 h ASP 133 CO -0.06 1.09 -0.43 0.00 -1.72 0.00 0.00 179.24 178.12 3ma6 h ALA 134 N 0.88 0.94 -0.17 3.45 0.00 -1.25 -2.97 119.26 120.12 3ma6 h ALA 134 Ca 0.12 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 3ma6 h ALA 134 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ma6 h ALA 134 CO 0.05 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.47 3ma6 h ALA 135 N 1.20 0.87 -0.91 0.00 0.00 -1.25 -1.14 119.26 118.03 3ma6 h ALA 135 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3ma6 h ALA 135 Cb 0.90 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3ma6 h ALA 135 CO 0.08 0.66 0.54 -0.09 0.00 0.00 0.00 179.25 180.43 3ma6 h ARG 136 N 0.36 1.23 0.43 0.00 2.43 -1.32 0.80 114.38 118.31 3ma6 h ARG 136 Ca 0.02 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3ma6 h ARG 136 Cb 0.96 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3ma6 h ARG 136 CO 0.08 0.87 -0.21 0.82 -1.51 0.00 0.00 179.97 180.03 3ma6 h ILE 137 N 1.25 0.23 -0.62 1.20 2.04 -1.35 -3.01 117.51 117.25 3ma6 h ILE 137 Ca 0.32 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3ma6 h ILE 137 Cb -0.04 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3ma6 h ILE 137 CO -0.06 0.05 0.28 0.40 0.00 0.00 0.00 178.15 178.82 3ma6 h ILE 138 N -1.07 1.21 -0.54 -0.67 1.08 -1.19 -0.35 117.51 115.98 3ma6 h ILE 138 Ca -0.06 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3ma6 h ILE 138 Cb 0.52 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3ma6 h ILE 138 CO 0.10 0.25 0.34 -0.09 -0.69 0.00 0.00 178.15 178.05 3ma6 h ARG 139 N 0.88 0.66 -0.39 2.37 1.12 -0.94 0.18 114.38 118.26 3ma6 h ARG 139 Ca 0.22 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.00 3ma6 h ARG 139 Cb 0.12 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 3ma6 h ARG 139 CO -0.03 0.43 0.07 1.96 -3.11 0.00 0.00 179.97 179.29 3ma6 h GLN 140 N 0.68 0.64 -0.49 0.20 4.20 -1.24 -2.05 115.11 117.06 3ma6 h GLN 140 Ca 0.21 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3ma6 h GLN 140 Cb -0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3ma6 h GLN 140 CO -0.08 0.70 0.10 0.28 -0.67 0.00 0.00 178.83 179.16 3ma6 h VAL 141 N 0.49 1.24 -0.30 -0.54 2.07 -0.65 -2.85 116.25 115.72 3ma6 h VAL 141 Ca 0.12 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3ma6 h VAL 141 Cb 0.36 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3ma6 h VAL 141 CO 0.01 0.32 0.04 -0.07 0.02 0.00 0.00 177.57 177.89 3ma6 h LEU 142 N 0.67 0.48 -0.75 2.57 3.38 -0.62 -2.07 115.31 118.97 3ma6 h LEU 142 Ca 0.15 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3ma6 h LEU 142 Cb 0.36 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3ma6 h LEU 142 CO 0.01 0.62 0.32 0.28 0.09 0.00 0.00 178.44 179.76 3ma6 h SER 143 N 0.31 0.33 -0.37 -0.43 0.02 -1.34 0.27 113.55 112.34 3ma6 h SER 143 Ca 0.09 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3ma6 h SER 143 Cb 0.35 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3ma6 h SER 143 CO 0.01 0.14 0.13 1.23 -1.14 0.00 0.00 176.83 177.20 3ma6 h GLY 144 N 0.48 0.61 1.11 -3.77 0.00 -1.35 -2.41 103.07 97.73 3ma6 h GLY 144 Ca 0.40 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 3ma6 h GLY 144 CO -0.37 0.32 -0.28 -2.22 0.00 0.00 0.00 176.54 173.99 3ma6 h ILE 145 N 0.45 1.27 -0.60 2.60 2.04 -0.61 -2.83 117.51 119.83 3ma6 h ILE 145 Ca 0.12 -1.45 0.07 0.00 1.00 0.00 0.00 64.86 64.61 3ma6 h ILE 145 Cb 0.22 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3ma6 h ILE 145 CO -0.01 0.49 0.29 0.74 0.00 0.00 0.00 178.15 179.66 3ma6 h THR 146 N 0.79 0.88 0.12 -0.27 2.02 -0.41 0.09 112.91 116.13 3ma6 h THR 146 Ca 0.09 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ma6 h THR 146 Cb 0.87 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3ma6 h THR 146 CO 0.08 0.10 -0.06 0.22 0.37 0.00 0.00 175.52 176.22 3ma6 h TYR 147 N 0.52 -0.16 -0.11 3.16 3.20 -1.38 -1.78 116.97 120.42 3ma6 h TYR 147 Ca 0.29 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 3ma6 h TYR 147 Cb 0.26 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3ma6 h TYR 147 CO -0.12 0.02 -0.20 0.52 -1.64 0.00 0.00 178.16 176.75 3ma6 h MET 148 N -0.31 0.18 -0.27 1.82 2.86 -1.24 -2.27 114.93 115.69 3ma6 h MET 148 Ca -0.02 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3ma6 h MET 148 Cb 0.25 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3ma6 h MET 148 CO 0.03 0.37 -0.50 0.45 1.06 0.00 0.00 176.91 178.33 3ma6 h HIS 149 N 0.16 0.94 0.00 -0.22 3.86 -0.90 0.62 115.15 119.62 3ma6 h HIS 149 Ca 0.03 -0.32 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 3ma6 h HIS 149 Cb 0.45 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3ma6 h HIS 149 CO 0.01 1.10 -0.30 0.87 0.86 0.00 0.00 177.93 180.47 3ma6 h LYS 150 N 0.60 0.00 -0.59 2.45 1.57 -1.01 -2.91 116.57 116.68 3ma6 h LYS 150 Ca 0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 3ma6 h LYS 150 Cb 1.07 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 3ma6 h LYS 150 CO 0.11 0.30 0.17 0.09 -0.57 0.00 0.00 179.45 179.54 3ma6 n ASN 151 N -4.04 4.32 -3.75 0.86 3.02 -0.88 -4.98 115.26 109.81 3ma6 n ASN 151 Ca -0.02 -3.26 -0.29 0.00 -0.03 0.00 0.00 54.58 50.98 3ma6 n ASN 151 Cb 0.36 -0.69 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 3ma6 n ASN 151 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ma6 n LYS 152 N -0.37 -4.61 -4.87 3.52 4.76 -0.87 -5.00 118.16 110.73 3ma6 n LYS 152 Ca 0.36 0.56 -0.33 0.00 -2.87 0.00 0.00 58.31 56.03 3ma6 n LYS 152 Cb 1.24 -5.38 -0.14 0.00 -1.84 0.00 0.00 35.03 28.90 3ma6 n LYS 152 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ma6 s ILE 153 N -3.19 2.93 0.15 -0.18 -1.09 0.21 -5.01 121.20 115.03 3ma6 s ILE 153 Ca 0.58 -0.73 0.10 0.00 -2.23 0.00 0.00 60.65 58.37 3ma6 s ILE 153 Cb -0.30 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 3ma6 s ILE 153 CO 0.72 0.55 -0.17 0.68 -1.23 0.00 0.00 174.94 175.48 3ma6 s VAL 154 N 0.06 2.81 -0.22 2.92 -7.23 -1.26 -3.69 120.40 113.78 3ma6 s VAL 154 Ca -0.06 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 3ma6 s VAL 154 Cb -0.15 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3ma6 s VAL 154 CO 0.05 -0.01 -0.30 1.57 -0.31 0.00 0.00 175.10 176.10 3ma6 n HIS 155 N 0.45 0.16 0.00 2.82 -0.00 -1.26 -1.69 115.22 115.69 3ma6 n HIS 155 Ca -0.14 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3ma6 n HIS 155 Cb 0.54 -0.78 0.00 0.00 -0.12 0.00 0.00 29.99 29.63 3ma6 n HIS 155 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 3ma6 n ARG 156 N -4.38 0.00 -1.28 1.57 0.00 -1.26 -4.50 116.66 106.81 3ma6 n ARG 156 Ca -0.32 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.25 3ma6 n ARG 156 Cb 0.67 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.26 3ma6 n ARG 156 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ma6 n ASP 157 N 2.49 5.49 -4.67 6.15 8.00 -1.26 -4.76 116.55 127.98 3ma6 n ASP 157 Ca 0.00 -3.71 -0.42 0.00 0.71 0.00 0.00 54.79 51.37 3ma6 n ASP 157 Cb 0.00 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 3ma6 n ASP 157 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ma6 s LEU 158 N -3.55 4.33 0.27 0.64 2.96 -1.26 -4.93 118.68 117.14 3ma6 s LEU 158 Ca 0.60 2.26 -0.11 0.00 -0.22 0.00 0.00 54.13 56.65 3ma6 s LEU 158 Cb 0.49 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.64 3ma6 s LEU 158 CO 0.05 -0.90 0.50 -1.59 -1.32 0.00 0.00 176.35 173.09 3ma6 s LYS 159 N 3.66 1.65 0.39 1.98 -2.85 -1.26 -4.83 119.74 118.48 3ma6 s LYS 159 Ca 0.72 -1.35 0.15 0.00 -1.00 0.00 0.00 55.97 54.49 3ma6 s LYS 159 Cb -0.34 0.48 0.99 0.00 -2.06 0.00 0.00 37.83 36.90 3ma6 s LYS 159 CO 0.30 -0.70 1.83 -1.35 0.10 0.00 0.00 175.35 175.53 3ma6 h PRO 160 N 2.21 0.49 -0.19 1.78 0.11 -1.94 -0.74 132.00 133.72 3ma6 h PRO 160 Ca -0.27 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.87 3ma6 h PRO 160 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3ma6 h PRO 160 CO 0.36 0.32 0.14 0.93 -0.21 0.00 0.00 178.00 179.55 3ma6 h GLU 161 N 0.50 0.00 -0.27 1.05 5.08 -1.97 -0.75 114.58 118.22 3ma6 h GLU 161 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3ma6 h GLU 161 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3ma6 h GLU 161 CO -0.23 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.87 3ma6 n ASN 162 N -4.39 1.66 -4.08 1.42 3.02 -0.28 -4.69 115.26 107.92 3ma6 n ASN 162 Ca 0.02 -1.90 -0.34 0.00 -0.03 0.00 0.00 54.58 52.33 3ma6 n ASN 162 Cb 0.28 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 3ma6 n ASN 162 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ma6 s LEU 163 N -1.18 5.04 0.12 3.41 1.43 -0.29 -1.79 118.68 125.42 3ma6 s LEU 163 Ca 0.25 -2.16 0.05 0.00 -1.03 0.00 0.00 54.13 51.23 3ma6 s LEU 163 Cb 0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3ma6 s LEU 163 CO 0.18 -0.46 0.07 -0.76 0.23 0.00 0.00 176.35 175.60 3ma6 s LEU 164 N 0.93 3.65 -0.11 1.79 1.43 -0.30 -1.79 118.68 124.28 3ma6 s LEU 164 Ca 0.10 -0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 3ma6 s LEU 164 Cb -0.21 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3ma6 s LEU 164 CO -0.05 0.13 0.43 -0.76 0.23 0.00 0.00 176.35 176.33 3ma6 s LEU 165 N -2.67 4.30 0.17 1.79 1.43 0.33 0.22 118.68 124.25 3ma6 s LEU 165 Ca 0.29 0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.00 3ma6 s LEU 165 Cb -0.11 -2.62 0.11 0.00 0.03 0.00 0.00 46.19 43.60 3ma6 s LEU 165 CO 0.21 0.06 1.67 -0.08 0.23 0.00 0.00 176.35 178.44 3ma6 h GLU 166 N 6.44 0.01 -4.13 1.70 4.81 -1.54 -1.91 114.58 119.96 3ma6 h GLU 166 Ca -0.42 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.60 3ma6 h GLU 166 Cb 1.18 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.45 3ma6 h GLU 166 CO 0.74 0.01 -0.30 -1.54 -0.73 0.00 0.00 179.01 177.19 3ma6 s SER 167 N -5.22 0.40 0.00 1.04 1.04 -1.26 -1.80 113.70 107.90 3ma6 s SER 167 Ca -0.14 -1.28 0.17 0.00 0.48 0.00 0.00 55.95 55.19 3ma6 s SER 167 Cb 0.15 0.55 1.04 0.00 0.10 0.00 0.00 66.02 67.86 3ma6 s SER 167 CO 0.71 -1.11 1.63 0.29 0.98 0.00 0.00 173.24 175.74 3ma6 n LYS 168 N -0.42 0.94 -1.12 4.02 4.76 -1.26 -3.94 118.16 121.14 3ma6 n LYS 168 Ca 0.01 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 3ma6 n LYS 168 Cb 0.63 -1.29 0.13 0.00 -1.84 0.00 0.00 35.03 32.66 3ma6 n LYS 168 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ma6 n SER 169 N -0.79 0.98 -0.13 4.39 2.88 -1.26 -4.98 113.62 114.70 3ma6 n SER 169 Ca 0.13 0.59 -0.10 0.00 -1.33 0.00 0.00 58.87 58.16 3ma6 n SER 169 Cb 0.06 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.00 3ma6 n SER 169 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3ma6 h LYS 170 N -0.87 0.63 -0.91 -1.46 -0.00 -2.06 -3.22 116.57 108.69 3ma6 h LYS 170 Ca -0.46 -0.17 -0.63 0.00 -0.00 0.00 0.00 60.65 59.39 3ma6 h LYS 170 Cb 1.30 -0.08 -0.35 0.00 -0.00 0.00 0.00 32.23 33.11 3ma6 h LYS 170 CO 0.46 0.68 0.17 -0.40 -0.00 0.00 0.00 179.45 180.36 3ma6 n ASP 171 N -4.55 6.54 -4.77 7.07 5.68 -1.26 -5.05 116.55 120.22 3ma6 n ASP 171 Ca -0.01 -3.77 -0.38 0.00 -0.50 0.00 0.00 54.79 50.13 3ma6 n ASP 171 Cb 0.22 -0.71 -0.02 0.00 -1.14 0.00 0.00 41.12 39.47 3ma6 n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ma6 s ALA 172 N -3.74 3.15 0.39 2.12 0.00 -1.22 -5.05 121.76 117.42 3ma6 s ALA 172 Ca 0.59 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 3ma6 s ALA 172 Cb 0.47 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 3ma6 s ALA 172 CO 0.01 -0.51 0.74 -0.80 0.00 0.00 0.00 175.76 175.20 3ma6 s ASN 173 N -1.16 6.49 0.09 0.00 0.01 -1.26 -4.89 114.94 114.22 3ma6 s ASN 173 Ca 0.57 1.05 -0.22 0.00 -0.71 0.00 0.00 52.86 53.55 3ma6 s ASN 173 Cb -0.30 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 3ma6 s ASN 173 CO 0.38 -0.39 0.66 -0.63 -1.51 0.00 0.00 177.10 175.61 3ma6 s ILE 174 N -2.36 4.63 -0.09 0.60 1.01 -1.26 -1.35 121.20 122.37 3ma6 s ILE 174 Ca 0.50 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.60 3ma6 s ILE 174 Cb -0.10 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3ma6 s ILE 174 CO 0.32 0.51 -0.17 -0.13 0.00 0.00 0.00 174.94 175.47 3ma6 s ARG 175 N -0.90 2.31 -0.20 2.79 1.81 0.13 -4.28 118.95 120.62 3ma6 s ARG 175 Ca 0.32 -0.62 -0.18 0.00 -1.72 0.00 0.00 55.73 53.54 3ma6 s ARG 175 Cb -0.21 -1.86 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 3ma6 s ARG 175 CO 0.22 0.05 0.50 0.42 -0.68 0.00 0.00 175.30 175.81 3ma6 s ILE 176 N 0.66 5.12 0.29 1.52 1.01 0.35 -1.15 121.20 129.01 3ma6 s ILE 176 Ca -0.13 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.51 3ma6 s ILE 176 Cb -0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 3ma6 s ILE 176 CO 0.04 0.19 0.24 0.27 0.00 0.00 0.00 174.94 175.68 3ma6 s ILE 177 N 1.56 3.97 -1.34 2.92 -4.36 -0.74 -1.78 121.20 121.43 3ma6 s ILE 177 Ca 0.23 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3ma6 s ILE 177 Cb -0.15 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.27 3ma6 s ILE 177 CO 0.09 -0.26 0.00 0.47 0.24 0.00 0.00 174.94 175.48 3ma6 n ASP 178 N -1.27 -4.58 -4.70 4.36 8.00 -1.26 -4.86 116.55 112.24 3ma6 n ASP 178 Ca -0.05 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.34 3ma6 n ASP 178 Cb 0.59 -3.18 -0.03 0.00 -0.02 0.00 0.00 41.12 38.47 3ma6 n ASP 178 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ma6 s PHE 179 N -2.45 2.83 0.00 1.24 5.36 -1.26 -2.87 117.98 120.83 3ma6 s PHE 179 Ca 0.00 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 3ma6 s PHE 179 Cb 0.00 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 3ma6 s PHE 179 CO 0.00 -3.15 0.00 0.41 -1.46 0.00 0.00 175.22 171.02 3ma6 n GLY 180 N 3.76 1.84 0.19 13.12 0.00 -0.68 -4.92 105.19 118.50 3ma6 n GLY 180 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 3ma6 n GLY 180 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ma6 h LEU 181 N 0.00 0.46 -1.36 0.99 3.38 -1.78 -3.20 115.31 113.80 3ma6 h LEU 181 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ma6 h LEU 181 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ma6 h LEU 181 CO 0.00 0.95 0.39 0.77 0.09 0.00 0.00 178.44 180.64 3ma6 h SER 182 N 0.31 0.71 -0.54 -0.43 4.64 -1.78 0.99 113.55 117.44 3ma6 h SER 182 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ma6 h SER 182 Cb 1.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3ma6 h SER 182 CO 0.10 0.54 0.34 0.74 -0.87 0.00 0.00 176.83 177.68 3ma6 h THR 183 N 0.84 1.15 0.00 2.95 2.02 -1.86 -3.31 112.91 114.69 3ma6 h THR 183 Ca 0.22 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 3ma6 h THR 183 Cb -0.06 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3ma6 h THR 183 CO -0.05 0.15 -1.66 1.41 0.37 0.00 0.00 175.52 175.75 3ma6 n HIS 184 N -4.44 0.00 -4.35 3.16 8.25 -1.05 -4.60 115.22 112.20 3ma6 n HIS 184 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 3ma6 n HIS 184 Cb 0.06 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 30.65 3ma6 n HIS 184 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ma6 s PHE 185 N -2.48 2.52 0.17 4.41 0.08 0.32 -0.30 117.98 122.70 3ma6 s PHE 185 Ca -0.05 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.63 3ma6 s PHE 185 Cb 0.05 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.29 3ma6 s PHE 185 CO 0.46 0.55 0.33 -1.21 -0.10 0.00 0.00 175.22 175.25 3ma6 s GLU 186 N -2.98 1.20 0.00 0.44 8.01 -1.02 -4.48 118.70 119.86 3ma6 s GLU 186 Ca 0.25 -1.10 0.00 0.00 0.01 0.00 0.00 54.97 54.13 3ma6 s GLU 186 Cb -0.08 0.41 0.00 0.00 -4.31 0.00 0.00 34.13 30.15 3ma6 s GLU 186 CO 0.14 -0.45 0.00 -1.13 0.01 0.00 0.00 175.26 173.83 3ma6 n SER 188 N -0.24 0.00 -4.71 -0.19 3.41 -1.26 -4.69 113.62 105.95 3ma6 n SER 188 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 3ma6 n SER 188 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 3ma6 n SER 188 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ma6 s LYS 189 N -1.58 3.70 -0.42 4.33 2.36 -1.26 -5.06 119.74 121.81 3ma6 s LYS 189 Ca 0.00 -0.29 0.05 0.00 -2.55 0.00 0.00 55.97 53.18 3ma6 s LYS 189 Cb 0.00 -3.15 0.18 0.00 -1.05 0.00 0.00 37.83 33.81 3ma6 s LYS 189 CO 0.00 0.47 0.42 1.17 1.55 0.00 0.00 175.35 178.96 3ma6 n LYS 190 N 2.92 0.30 -0.07 4.03 4.81 -1.26 -5.00 118.16 123.90 3ma6 n LYS 190 Ca -0.18 -3.01 -0.06 0.00 -0.87 0.00 0.00 58.31 54.20 3ma6 n LYS 190 Cb 0.53 -1.58 0.13 0.00 0.02 0.00 0.00 35.03 34.13 3ma6 n LYS 190 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 3ma6 h MET 191 N 5.32 0.71 0.00 1.64 2.86 -1.98 0.88 114.93 124.35 3ma6 h MET 191 Ca 0.21 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ma6 h MET 191 Cb 0.93 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3ma6 h MET 191 CO 0.34 0.84 0.00 0.87 1.06 0.00 0.00 176.91 180.02 3ma6 h LYS 192 N 0.63 0.00 -0.01 1.72 6.56 -2.05 -3.09 116.57 120.32 3ma6 h LYS 192 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 3ma6 h LYS 192 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 3ma6 h LYS 192 CO 0.05 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.04 3ma6 n ASP 193 N -2.31 1.45 0.02 0.86 5.68 -1.10 -4.78 116.55 116.37 3ma6 n ASP 193 Ca 0.03 -1.41 -0.13 0.00 -0.50 0.00 0.00 54.79 52.79 3ma6 n ASP 193 Cb 0.30 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 3ma6 n ASP 193 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3ma6 h LYS 194 N 0.14 -0.05 -0.41 0.11 6.56 -0.74 -2.84 116.57 119.33 3ma6 h LYS 194 Ca 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 3ma6 h LYS 194 Cb 0.22 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3ma6 h LYS 194 CO 0.00 0.29 0.02 0.82 -2.06 0.00 0.00 179.45 178.52 3ma6 h ILE 195 N -0.39 1.22 -0.73 1.86 5.03 -1.87 -2.74 117.51 119.89 3ma6 h ILE 195 Ca -0.01 -0.87 -0.04 0.00 -0.12 0.00 0.00 64.86 63.83 3ma6 h ILE 195 Cb 0.36 0.88 -0.03 0.00 -3.03 0.00 0.00 36.82 35.00 3ma6 h ILE 195 CO 0.01 0.30 0.29 1.23 -0.68 0.00 0.00 178.15 179.30 3ma6 h GLY 196 N 0.91 1.16 2.00 5.37 0.00 -1.86 -3.05 103.07 107.59 3ma6 h GLY 196 Ca 0.13 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 3ma6 h GLY 196 CO 0.01 0.58 -0.88 -0.91 0.00 0.00 0.00 176.54 175.34 3ma6 h THR 197 N 1.06 1.55 -0.29 4.70 1.35 -1.38 -3.35 112.91 116.55 3ma6 h THR 197 Ca 0.25 -3.11 -0.04 0.00 -0.55 0.00 0.00 66.41 62.96 3ma6 h THR 197 Cb 0.20 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 3ma6 h THR 197 CO -0.02 0.87 -0.00 0.00 -0.25 0.00 0.00 175.52 176.11 3ma6 h ALA 198 N 1.12 1.46 -0.24 6.62 0.00 -1.37 -2.85 119.26 124.00 3ma6 h ALA 198 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3ma6 h ALA 198 Cb 1.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3ma6 h ALA 198 CO 0.11 0.38 -0.14 1.88 0.00 0.00 0.00 179.25 181.49 3ma6 h TYR 199 N 0.42 0.42 0.00 0.00 -1.99 -1.69 -3.31 116.97 110.82 3ma6 h TYR 199 Ca 0.09 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3ma6 h TYR 199 Cb 0.28 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3ma6 h TYR 199 CO 0.01 0.53 -1.14 0.66 -0.00 0.00 0.00 178.16 178.21 3ma6 n TYR 200 N -4.22 0.00 -1.95 4.88 4.02 -1.18 -4.81 117.16 113.91 3ma6 n TYR 200 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 3ma6 n TYR 200 Cb 0.31 -0.14 0.03 0.00 -0.02 0.00 0.00 39.34 39.52 3ma6 n TYR 200 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3ma6 s ILE 201 N -2.78 2.45 0.29 -0.72 1.10 -1.08 -3.91 121.20 116.55 3ma6 s ILE 201 Ca 0.02 0.31 -0.15 0.00 -0.51 0.00 0.00 60.65 60.32 3ma6 s ILE 201 Cb 0.12 -3.15 -0.09 0.00 0.15 0.00 0.00 42.46 39.50 3ma6 s ILE 201 CO 0.68 -0.03 0.71 0.00 -2.11 0.00 0.00 174.94 174.19 3ma6 s ALA 202 N -1.45 3.37 0.36 1.50 0.00 -1.26 -4.90 121.76 119.39 3ma6 s ALA 202 Ca 0.73 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.78 3ma6 s ALA 202 Cb -0.35 -2.73 0.70 0.00 0.00 0.00 0.00 23.12 20.75 3ma6 s ALA 202 CO 0.40 0.36 1.90 -1.35 0.00 0.00 0.00 175.76 177.07 3ma6 h PRO 203 N 2.54 0.39 -0.80 0.00 0.11 -1.91 -2.87 132.00 129.46 3ma6 h PRO 203 Ca -0.48 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3ma6 h PRO 203 Cb 1.18 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3ma6 h PRO 203 CO 0.66 0.46 0.39 0.93 -0.21 0.00 0.00 178.00 180.23 3ma6 h GLU 204 N 0.38 1.15 -0.74 1.05 3.07 -1.89 -1.64 114.58 115.96 3ma6 h GLU 204 Ca 0.08 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3ma6 h GLU 204 Cb 0.33 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 3ma6 h GLU 204 CO 0.01 0.88 0.47 0.28 -1.40 0.00 0.00 179.01 179.26 3ma6 h VAL 205 N 1.14 1.20 -0.55 3.13 2.07 -1.76 0.82 116.25 122.30 3ma6 h VAL 205 Ca 0.28 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3ma6 h VAL 205 Cb 0.10 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3ma6 h VAL 205 CO -0.04 0.20 0.07 -0.07 0.02 0.00 0.00 177.57 177.75 3ma6 h LEU 206 N 1.01 0.83 -0.53 2.57 3.38 -1.31 -2.74 115.31 118.52 3ma6 h LEU 206 Ca 0.27 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3ma6 h LEU 206 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3ma6 h LEU 206 CO -0.06 0.86 0.01 0.45 0.09 0.00 0.00 178.44 179.79 3ma6 h HIS 207 N 0.83 1.01 0.00 1.13 3.86 -0.67 -3.48 115.15 117.83 3ma6 h HIS 207 Ca 0.17 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ma6 h HIS 207 Cb 0.39 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3ma6 h HIS 207 CO 0.02 0.92 0.00 0.41 0.86 0.00 0.00 177.93 180.14 3ma6 n GLY 208 N -0.41 1.58 3.39 2.45 0.00 0.22 -5.06 105.19 107.36 3ma6 n GLY 208 Ca 0.02 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 3ma6 n GLY 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ma6 s THR 209 N -0.54 4.93 0.18 2.61 -4.23 -1.16 -4.88 115.64 112.54 3ma6 s THR 209 Ca 0.00 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 3ma6 s THR 209 Cb 0.00 -4.59 -0.04 0.00 1.34 0.00 0.00 72.50 69.20 3ma6 s THR 209 CO 0.00 -1.25 -0.20 -0.72 -0.54 0.00 0.00 174.62 171.91 3ma6 s TYR 210 N 2.24 1.96 0.00 3.99 -0.85 -1.26 -4.60 117.35 118.82 3ma6 s TYR 210 Ca 0.20 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3ma6 s TYR 210 Cb -0.14 -0.97 0.00 0.00 0.38 0.00 0.00 41.96 41.23 3ma6 s TYR 210 CO -0.02 0.39 0.00 -0.40 -1.52 0.00 0.00 175.55 174.00 3ma6 n ASP 211 N 0.26 0.06 0.23 -0.18 5.75 -1.26 -5.05 116.55 116.36 3ma6 n ASP 211 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.77 3ma6 n ASP 211 Cb 0.57 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 41.03 3ma6 n ASP 211 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3ma6 h GLU 212 N 0.00 0.00 -0.07 0.11 9.09 -2.00 -3.32 114.58 118.38 3ma6 h GLU 212 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 3ma6 h GLU 212 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3ma6 h GLU 212 CO 0.00 0.12 0.06 0.87 0.05 0.00 0.00 179.01 180.11 3ma6 h LYS 213 N 0.00 0.00 -0.83 1.06 1.79 -1.96 -2.94 116.57 113.69 3ma6 h LYS 213 Ca -0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 3ma6 h LYS 213 Cb 0.85 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 3ma6 h LYS 213 CO 0.02 0.00 0.55 0.00 -1.08 0.00 0.00 179.45 178.93 3ma6 h ASP 215 N 0.55 0.26 -0.15 0.00 3.32 -1.81 -2.72 116.42 115.87 3ma6 h ASP 215 Ca 0.42 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3ma6 h ASP 215 Cb 0.81 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3ma6 h ASP 215 CO -0.17 0.65 -0.27 0.58 -1.72 0.00 0.00 179.24 178.32 3ma6 h VAL 216 N 0.20 1.28 -0.19 -1.35 2.07 -1.54 -2.08 116.25 114.64 3ma6 h VAL 216 Ca 0.02 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3ma6 h VAL 216 Cb 0.84 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3ma6 h VAL 216 CO 0.07 0.44 0.02 -0.25 0.02 0.00 0.00 177.57 177.87 3ma6 h TRP 217 N 0.53 0.35 -0.89 1.57 2.91 -1.43 -1.70 115.95 117.29 3ma6 h TRP 217 Ca 0.07 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3ma6 h TRP 217 Cb 0.75 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 29.26 3ma6 h TRP 217 CO 0.03 0.49 0.51 0.77 -1.03 0.00 0.00 178.44 179.21 3ma6 h SER 218 N 0.10 1.10 0.38 2.65 0.02 -1.37 -1.33 113.55 115.12 3ma6 h SER 218 Ca 0.06 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 3ma6 h SER 218 Cb 0.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3ma6 h SER 218 CO 0.01 0.87 -0.39 0.74 -1.14 0.00 0.00 176.83 176.92 3ma6 h THR 219 N 1.24 1.28 -0.35 -2.27 2.02 -1.33 -1.23 112.91 112.27 3ma6 h THR 219 Ca 0.32 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3ma6 h THR 219 Cb 0.00 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ma6 h THR 219 CO -0.05 0.38 0.03 1.23 0.37 0.00 0.00 175.52 177.47 3ma6 h GLY 220 N 1.16 0.65 0.91 2.16 0.00 -0.39 0.40 103.07 107.95 3ma6 h GLY 220 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3ma6 h GLY 220 CO 0.05 0.42 0.11 -2.08 0.00 0.00 0.00 176.54 175.04 3ma6 h VAL 221 N 0.42 1.20 -0.36 4.60 2.07 -0.87 0.08 116.25 123.40 3ma6 h VAL 221 Ca 0.10 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3ma6 h VAL 221 Cb 0.41 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3ma6 h VAL 221 CO 0.01 0.22 0.21 0.40 0.02 0.00 0.00 177.57 178.43 3ma6 h ILE 222 N 0.36 1.04 -0.57 4.57 2.04 -1.17 -1.62 117.51 122.16 3ma6 h ILE 222 Ca 0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3ma6 h ILE 222 Cb 0.23 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3ma6 h ILE 222 CO -0.00 0.08 0.32 0.25 0.00 0.00 0.00 178.15 178.80 3ma6 h LEU 223 N 0.43 0.71 -0.43 1.44 5.85 -0.68 -0.82 115.31 121.81 3ma6 h LEU 223 Ca 0.14 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ma6 h LEU 223 Cb -0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3ma6 h LEU 223 CO -0.06 0.59 0.23 0.22 -0.34 0.00 0.00 178.44 179.08 3ma6 h TYR 224 N 0.77 0.43 -0.26 1.25 3.20 -0.68 -2.13 116.97 119.55 3ma6 h TYR 224 Ca 0.20 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 3ma6 h TYR 224 Cb 0.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3ma6 h TYR 224 CO -0.02 0.23 -0.35 0.82 -1.64 0.00 0.00 178.16 177.21 3ma6 h ILE 225 N 0.47 1.29 0.00 1.81 2.04 -1.09 -1.78 117.51 120.24 3ma6 h ILE 225 Ca 0.18 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 3ma6 h ILE 225 Cb 0.06 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3ma6 h ILE 225 CO -0.11 0.47 -0.34 -0.07 0.00 0.00 0.00 178.15 178.09 3ma6 h LEU 226 N 0.47 0.00 0.14 1.44 3.38 -0.74 0.24 115.31 120.24 3ma6 h LEU 226 Ca 0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.67 3ma6 h LEU 226 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ma6 h LEU 226 CO 0.07 0.34 -1.86 -0.07 0.09 0.00 0.00 178.44 177.02 3ma6 h LEU 227 N 0.00 0.46 0.00 1.67 4.07 -1.24 -3.42 115.31 116.85 3ma6 h LEU 227 Ca -0.00 -0.85 -0.22 0.00 0.08 0.00 0.00 57.88 56.89 3ma6 h LEU 227 Cb 0.78 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 3ma6 h LEU 227 CO 0.04 1.74 -1.83 -1.54 -1.08 0.00 0.00 178.44 175.78 3ma6 n SER 228 N -3.49 2.01 0.00 -0.43 3.41 -0.68 -4.91 113.62 109.53 3ma6 n SER 228 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3ma6 n SER 228 Cb 1.06 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 3ma6 n SER 228 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ma6 n GLY 229 N 2.25 1.76 3.52 5.00 0.00 0.84 -4.94 105.19 113.62 3ma6 n GLY 229 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3ma6 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma6 s PRO 231 N -0.56 4.08 0.56 0.00 0.04 -1.26 -4.24 135.00 133.63 3ma6 s PRO 231 Ca 0.08 2.17 0.35 0.00 0.04 0.00 0.00 61.00 63.64 3ma6 s PRO 231 Cb -0.12 -2.85 1.50 0.00 0.04 0.00 0.00 34.50 33.08 3ma6 s PRO 231 CO 0.02 -0.40 2.04 -1.00 0.04 0.00 0.00 177.00 177.69 3ma6 h PRO 232 N 2.88 0.00 -4.62 0.56 0.13 -1.90 -3.39 132.00 125.66 3ma6 h PRO 232 Ca -0.49 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.99 3ma6 h PRO 232 Cb 1.24 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.99 3ma6 h PRO 232 CO 0.63 0.02 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.57 3ma6 s PHE 233 N -3.76 2.87 0.44 1.56 0.40 -1.26 -4.73 117.98 113.51 3ma6 s PHE 233 Ca 0.00 -2.09 0.08 0.00 -0.60 0.00 0.00 56.93 54.32 3ma6 s PHE 233 Cb 0.10 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 3ma6 s PHE 233 CO 0.53 -0.83 0.45 -0.80 0.70 0.00 0.00 175.22 175.26 3ma6 s ASN 234 N 1.23 5.12 0.00 1.36 0.01 -1.26 -4.86 114.94 116.54 3ma6 s ASN 234 Ca -0.07 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.34 3ma6 s ASN 234 Cb -0.19 -0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.04 3ma6 s ASN 234 CO -0.06 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.37 3ma6 n GLY 235 N -1.68 3.38 0.18 0.66 0.00 -1.26 -4.01 105.19 102.46 3ma6 n GLY 235 Ca 0.05 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.76 3ma6 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma6 h ALA 236 N 0.00 1.00 -2.66 4.61 0.00 -2.00 -3.44 119.26 116.76 3ma6 h ALA 236 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ma6 h ALA 236 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3ma6 h ALA 236 CO 0.00 0.00 -0.35 0.54 0.00 0.00 0.00 179.25 179.44 3ma6 s ASN 237 N -4.93 0.05 0.19 0.00 2.20 -1.26 -5.07 114.94 106.12 3ma6 s ASN 237 Ca 0.05 -1.02 -0.20 0.00 -0.94 0.00 0.00 52.86 50.75 3ma6 s ASN 237 Cb 0.09 0.45 0.14 0.00 -2.00 0.00 0.00 41.25 39.94 3ma6 s ASN 237 CO 0.51 -0.93 1.58 1.05 -2.94 0.00 0.00 177.10 176.36 3ma6 h GLU 238 N 2.51 -0.13 -0.19 3.55 -0.00 -1.92 -1.71 114.58 116.70 3ma6 h GLU 238 Ca -0.31 0.01 0.01 0.00 -0.00 0.00 0.00 59.36 59.06 3ma6 h GLU 238 Cb 1.24 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 3ma6 h GLU 238 CO 0.47 -0.08 0.11 -0.92 -0.00 0.00 0.00 179.01 178.58 3ma6 h TYR 239 N -0.13 0.20 -0.74 2.06 5.03 -1.98 -0.62 116.97 120.79 3ma6 h TYR 239 Ca 0.25 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.60 3ma6 h TYR 239 Cb 0.56 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 3ma6 h TYR 239 CO -0.69 0.12 0.49 -0.44 -1.32 0.00 0.00 178.16 176.32 3ma6 h ASP 240 N 0.22 0.80 -0.08 -2.11 3.32 -1.80 0.34 116.42 117.10 3ma6 h ASP 240 Ca 0.07 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3ma6 h ASP 240 Cb -0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3ma6 h ASP 240 CO -0.03 0.56 -0.26 0.40 -1.72 0.00 0.00 179.24 178.18 3ma6 h ILE 241 N 0.93 1.41 -0.55 0.35 2.04 -1.05 -3.02 117.51 117.63 3ma6 h ILE 241 Ca 0.29 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3ma6 h ILE 241 Cb 0.01 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3ma6 h ILE 241 CO -0.08 0.47 0.23 -0.07 0.00 0.00 0.00 178.15 178.70 3ma6 h LEU 242 N -0.15 0.71 -0.45 1.44 3.38 -0.66 -0.83 115.31 118.75 3ma6 h LEU 242 Ca -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ma6 h LEU 242 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ma6 h LEU 242 CO 0.06 0.63 0.16 0.11 0.09 0.00 0.00 178.44 179.49 3ma6 h LYS 243 N 0.78 0.68 -0.44 1.13 6.56 -1.00 0.60 116.57 124.88 3ma6 h LYS 243 Ca 0.19 -0.14 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 3ma6 h LYS 243 Cb 0.14 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 3ma6 h LYS 243 CO -0.02 0.64 0.11 0.87 -2.06 0.00 0.00 179.45 178.99 3ma6 h LYS 244 N 0.58 0.71 -0.29 3.15 1.79 -1.32 -1.46 116.57 119.73 3ma6 h LYS 244 Ca 0.15 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3ma6 h LYS 244 Cb 0.23 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 3ma6 h LYS 244 CO -0.01 0.71 0.11 0.28 -1.08 0.00 0.00 179.45 179.47 3ma6 h VAL 245 N 0.58 0.94 -0.56 0.50 2.07 -1.00 -2.28 116.25 116.50 3ma6 h VAL 245 Ca 0.14 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3ma6 h VAL 245 Cb 0.32 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3ma6 h VAL 245 CO 0.00 0.05 0.36 -0.08 0.02 0.00 0.00 177.57 177.92 3ma6 h GLU 246 N 0.25 0.71 0.00 1.57 4.57 -0.68 -2.48 114.58 118.52 3ma6 h GLU 246 Ca 0.13 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3ma6 h GLU 246 Cb 0.08 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3ma6 h GLU 246 CO -0.12 0.47 -0.30 0.87 -1.18 0.00 0.00 179.01 178.75 3ma6 h LYS 247 N 0.73 0.00 0.00 1.92 6.56 -1.05 -3.47 116.57 121.25 3ma6 h LYS 247 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 3ma6 h LYS 247 Cb -0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 3ma6 h LYS 247 CO -0.07 0.30 0.00 0.41 -2.06 0.00 0.00 179.45 178.03 3ma6 n GLY 248 N -0.24 0.44 3.75 3.86 0.00 -0.88 -5.01 105.19 107.10 3ma6 n GLY 248 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3ma6 n GLY 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ma6 s LYS 249 N -0.63 4.28 0.12 1.61 -0.14 -1.26 -4.92 119.74 118.80 3ma6 s LYS 249 Ca 0.00 0.51 -0.05 0.00 -1.36 0.00 0.00 55.97 55.07 3ma6 s LYS 249 Cb 0.00 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 3ma6 s LYS 249 CO 0.00 0.28 0.14 1.52 -0.76 0.00 0.00 175.35 176.52 3ma6 s TYR 250 N 0.22 0.56 0.21 3.18 -0.85 -1.26 -4.92 117.35 114.49 3ma6 s TYR 250 Ca 0.27 -0.96 0.02 0.00 -0.52 0.00 0.00 57.07 55.88 3ma6 s TYR 250 Cb -0.16 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 41.86 3ma6 s TYR 250 CO 0.12 -0.57 0.03 0.95 -1.52 0.00 0.00 175.55 174.56 3ma6 s THR 251 N -3.98 0.72 -0.27 -3.49 -4.23 -1.26 -5.03 115.64 98.10 3ma6 s THR 251 Ca 0.17 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3ma6 s THR 251 Cb 0.06 -2.32 0.45 0.00 1.34 0.00 0.00 72.50 72.03 3ma6 s THR 251 CO -0.02 -0.30 1.30 0.49 -0.54 0.00 0.00 174.62 175.54 3ma6 n PHE 252 N -0.35 1.25 0.08 3.99 0.99 -1.26 -4.77 117.46 117.39 3ma6 n PHE 252 Ca -0.04 -1.82 -0.09 0.00 -0.00 0.00 0.00 57.45 55.49 3ma6 n PHE 252 Cb 0.64 -0.38 -0.08 0.00 -1.00 0.00 0.00 39.48 38.66 3ma6 n PHE 252 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3ma6 h GLU 253 N 1.42 0.13 -6.89 -1.08 5.08 -1.98 -3.43 114.58 107.82 3ma6 h GLU 253 Ca 0.19 -0.18 -0.54 0.00 -1.00 0.00 0.00 59.36 57.83 3ma6 h GLU 253 Cb 1.30 0.06 0.10 0.00 0.50 0.00 0.00 28.75 30.72 3ma6 h GLU 253 CO 0.39 1.02 0.81 1.28 -1.00 0.00 0.00 179.01 181.52 3ma6 n LEU 254 N -3.51 4.66 -0.35 1.33 4.77 -1.26 -4.89 117.00 117.75 3ma6 n LEU 254 Ca -0.03 1.20 0.30 0.00 -0.03 0.00 0.00 56.01 57.45 3ma6 n LEU 254 Cb 0.90 -1.61 0.62 0.00 -2.33 0.00 0.00 43.42 41.00 3ma6 n LEU 254 CO 0.49 0.17 1.26 1.55 -1.33 0.00 0.00 177.39 179.53 3ma6 h PRO 255 N 3.58 0.20 0.00 3.23 0.13 -2.01 -1.42 132.00 135.71 3ma6 h PRO 255 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3ma6 h PRO 255 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ma6 h PRO 255 CO 0.69 0.13 0.00 0.37 -0.23 0.00 0.00 178.00 178.96 3ma6 h GLN 256 N 0.21 0.00 0.00 0.86 5.75 -1.92 -2.68 115.11 117.33 3ma6 h GLN 256 Ca 0.63 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.13 3ma6 h GLN 256 Cb 1.98 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.53 3ma6 h GLN 256 CO -0.21 0.00 0.00 -1.49 -2.65 0.00 0.00 178.83 174.48 3ma6 h TRP 257 N 0.00 0.00 -0.08 3.99 4.06 -1.53 -3.30 115.95 119.10 3ma6 h TRP 257 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 3ma6 h TRP 257 Cb 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3ma6 h TRP 257 CO 0.00 0.00 -0.38 0.87 -3.56 0.00 0.00 178.44 175.37 3ma6 h LYS 258 N 0.00 0.16 0.00 0.49 6.56 -1.68 -2.94 116.57 119.16 3ma6 h LYS 258 Ca 0.00 -0.07 -0.18 0.00 -1.06 0.00 0.00 60.65 59.34 3ma6 h LYS 258 Cb 0.80 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.43 3ma6 h LYS 258 CO 0.00 0.52 -0.84 0.87 -2.06 0.00 0.00 179.45 177.94 3ma6 h LYS 259 N 0.14 0.04 -6.75 3.15 1.57 -1.78 -3.46 116.57 109.49 3ma6 h LYS 259 Ca 0.01 -0.05 -0.52 0.00 -1.87 0.00 0.00 60.65 58.22 3ma6 h LYS 259 Cb 0.73 0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.10 3ma6 h LYS 259 CO 0.06 0.85 0.65 0.08 -0.57 0.00 0.00 179.45 180.52 3ma6 s VAL 260 N -3.14 3.02 0.65 0.50 1.01 -1.11 -5.01 120.40 116.32 3ma6 s VAL 260 Ca -0.01 0.90 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 3ma6 s VAL 260 Cb 0.11 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 3ma6 s VAL 260 CO 0.80 0.16 1.22 -0.94 0.00 0.00 0.00 175.10 176.34 3ma6 s SER 261 N 0.05 4.76 0.43 3.32 1.04 -1.26 -4.95 113.70 117.07 3ma6 s SER 261 Ca 0.54 2.39 0.19 0.00 0.48 0.00 0.00 55.95 59.56 3ma6 s SER 261 Cb -0.38 -2.60 0.96 0.00 0.10 0.00 0.00 66.02 64.11 3ma6 s SER 261 CO 0.43 -1.89 1.89 -0.08 0.98 0.00 0.00 173.24 174.57 3ma6 h GLU 262 N 0.38 0.00 -0.59 4.02 4.57 -1.95 -3.03 114.58 117.98 3ma6 h GLU 262 Ca -0.49 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 3ma6 h GLU 262 Cb 1.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 3ma6 h GLU 262 CO 0.53 0.28 0.01 0.66 -1.18 0.00 0.00 179.01 179.30 3ma6 h SER 263 N 0.00 1.01 -0.32 1.04 4.64 -1.99 -1.14 113.55 116.79 3ma6 h SER 263 Ca -0.00 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 3ma6 h SER 263 Cb 0.60 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3ma6 h SER 263 CO 0.04 1.07 0.02 0.00 -0.87 0.00 0.00 176.83 177.08 3ma6 h ALA 264 N 0.98 0.43 -0.70 5.18 0.00 -1.92 -2.12 119.26 121.10 3ma6 h ALA 264 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ma6 h ALA 264 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ma6 h ALA 264 CO 0.03 0.16 0.36 0.87 0.00 0.00 0.00 179.25 180.66 3ma6 h LYS 265 N 0.36 0.98 -0.59 0.00 1.57 -1.46 -0.48 116.57 116.94 3ma6 h LYS 265 Ca 0.09 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3ma6 h LYS 265 Cb 0.41 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3ma6 h LYS 265 CO 0.01 0.74 0.21 -0.44 -0.57 0.00 0.00 179.45 179.40 3ma6 h ASP 266 N 0.98 0.84 -0.38 0.86 5.19 -1.04 -0.26 116.42 122.61 3ma6 h ASP 266 Ca 0.24 -0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 3ma6 h ASP 266 Cb 0.06 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3ma6 h ASP 266 CO -0.04 0.80 -0.02 0.25 -3.12 0.00 0.00 179.24 177.11 3ma6 h LEU 267 N 0.82 0.67 -0.68 1.55 5.85 -0.72 -0.93 115.31 121.87 3ma6 h LEU 267 Ca 0.19 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3ma6 h LEU 267 Cb 0.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3ma6 h LEU 267 CO -0.01 0.83 0.36 0.40 -0.34 0.00 0.00 178.44 179.68 3ma6 h ILE 268 N 0.50 1.22 -0.25 4.05 2.04 -0.96 0.15 117.51 124.26 3ma6 h ILE 268 Ca 0.10 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3ma6 h ILE 268 Cb 0.50 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3ma6 h ILE 268 CO 0.02 0.25 0.11 0.03 0.00 0.00 0.00 178.15 178.56 3ma6 h ARG 269 N 0.94 0.24 -0.41 2.37 3.08 -0.91 0.44 114.38 120.14 3ma6 h ARG 269 Ca 0.24 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 3ma6 h ARG 269 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3ma6 h ARG 269 CO -0.04 0.16 0.00 0.87 -1.07 0.00 0.00 179.97 179.90 3ma6 h LYS 270 N 0.25 0.65 0.10 0.04 1.57 -0.80 -3.06 116.57 115.32 3ma6 h LYS 270 Ca 0.11 -0.16 -0.26 0.00 -1.87 0.00 0.00 60.65 58.47 3ma6 h LYS 270 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3ma6 h LYS 270 CO -0.08 0.67 -1.17 0.52 -0.57 0.00 0.00 179.45 178.81 3ma6 h MET 271 N 0.62 0.29 -0.93 3.15 2.86 -0.14 -3.20 114.93 117.58 3ma6 h MET 271 Ca 0.13 -0.45 -0.35 0.00 -2.06 0.00 0.00 59.70 56.97 3ma6 h MET 271 Cb 0.38 0.16 -0.21 0.00 0.06 0.00 0.00 31.60 31.99 3ma6 h MET 271 CO 0.01 1.19 0.44 1.28 1.06 0.00 0.00 176.91 180.90 3ma6 n LEU 272 N -3.58 5.96 -4.65 1.22 4.77 0.15 -4.08 117.00 116.80 3ma6 n LEU 272 Ca -0.08 -3.15 -0.43 0.00 -0.03 0.00 0.00 56.01 52.33 3ma6 n LEU 272 Cb 0.98 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3ma6 n LEU 272 CO 0.53 0.89 1.35 -0.89 -1.33 0.00 0.00 177.39 177.93 3ma6 s THR 273 N -2.75 3.70 0.15 -5.08 2.01 -1.16 -4.93 115.64 107.57 3ma6 s THR 273 Ca 0.48 0.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.06 3ma6 s THR 273 Cb 0.40 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3ma6 s THR 273 CO 0.10 -0.16 1.62 0.22 -0.69 0.00 0.00 174.62 175.72 3ma6 h TYR 274 N 9.94 -0.74 -2.85 4.92 3.20 -1.91 -3.41 116.97 126.12 3ma6 h TYR 274 Ca -0.36 0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.99 3ma6 h TYR 274 Cb 1.16 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 3ma6 h TYR 274 CO 0.89 -0.35 1.01 0.08 -1.64 0.00 0.00 178.16 178.15 3ma6 s VAL 275 N -6.05 3.95 0.39 1.81 1.01 -1.26 -4.86 120.40 115.40 3ma6 s VAL 275 Ca -0.15 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.01 3ma6 s VAL 275 Cb 0.12 -3.84 0.27 0.00 0.00 0.00 0.00 36.38 32.93 3ma6 s VAL 275 CO 0.67 -0.23 2.05 1.55 0.00 0.00 0.00 175.10 179.14 3ma6 h PRO 276 N 9.36 0.62 -0.50 2.72 0.13 -1.93 0.34 132.00 142.75 3ma6 h PRO 276 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3ma6 h PRO 276 Cb 1.13 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 3ma6 h PRO 276 CO 0.99 0.41 0.32 0.77 -0.23 0.00 0.00 178.00 180.25 3ma6 h SER 277 N 0.64 0.58 1.45 1.44 0.02 -1.94 -2.69 113.55 113.04 3ma6 h SER 277 Ca 0.18 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3ma6 h SER 277 Cb -0.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3ma6 h SER 277 CO -0.04 0.44 -0.43 0.24 -1.14 0.00 0.00 176.83 175.90 3ma6 h MET 278 N 0.67 0.00 -6.82 3.45 2.86 -1.75 -3.46 114.93 109.88 3ma6 h MET 278 Ca 0.18 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.29 3ma6 h MET 278 Cb -0.05 0.00 0.07 0.00 0.06 0.00 0.00 31.60 31.68 3ma6 h MET 278 CO -0.04 0.43 0.77 0.50 1.06 0.00 0.00 176.91 179.63 3ma6 s ARG 279 N -3.08 4.22 0.43 1.72 3.52 0.11 -4.99 118.95 120.89 3ma6 s ARG 279 Ca 0.04 2.39 -0.23 0.00 -0.13 0.00 0.00 55.73 57.81 3ma6 s ARG 279 Cb 0.08 -3.06 -0.09 0.00 -1.56 0.00 0.00 34.95 30.32 3ma6 s ARG 279 CO 0.73 -0.45 1.04 0.96 -0.81 0.00 0.00 175.30 176.77 3ma6 s ILE 280 N -0.39 3.80 0.93 4.11 -4.36 -1.21 -4.95 121.20 119.12 3ma6 s ILE 280 Ca 0.57 1.27 -0.12 0.00 -0.26 0.00 0.00 60.65 62.11 3ma6 s ILE 280 Cb -0.44 -3.60 0.15 0.00 1.25 0.00 0.00 42.46 39.82 3ma6 s ILE 280 CO 0.49 -0.10 1.10 -0.94 0.24 0.00 0.00 174.94 175.73 3ma6 s SER 281 N -1.75 3.25 0.20 4.36 1.04 -1.26 -4.85 113.70 114.68 3ma6 s SER 281 Ca 0.61 1.32 -0.08 0.00 0.48 0.00 0.00 55.95 58.28 3ma6 s SER 281 Cb -0.19 -1.99 0.12 0.00 0.10 0.00 0.00 66.02 64.05 3ma6 s SER 281 CO 0.24 -2.76 1.72 0.00 0.98 0.00 0.00 173.24 173.42 3ma6 h ALA 282 N -1.63 0.94 -0.54 5.32 0.00 -1.95 -0.67 119.26 120.72 3ma6 h ALA 282 Ca -0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 3ma6 h ALA 282 Cb 1.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3ma6 h ALA 282 CO 0.57 0.66 0.31 -0.09 0.00 0.00 0.00 179.25 180.70 3ma6 h ARG 283 N 1.08 0.75 -0.00 0.00 1.12 -1.92 -0.25 114.38 115.15 3ma6 h ARG 283 Ca 0.22 -0.08 -0.16 0.00 -1.11 0.00 0.00 59.98 58.85 3ma6 h ARG 283 Cb 0.37 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 3ma6 h ARG 283 CO 0.00 0.56 -0.77 -0.44 -3.11 0.00 0.00 179.97 176.21 3ma6 h ASP 284 N 0.73 0.06 -0.35 -3.80 3.32 -1.87 -2.50 116.42 112.01 3ma6 h ASP 284 Ca 0.19 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3ma6 h ASP 284 Cb 0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ma6 h ASP 284 CO -0.03 0.80 -0.27 0.00 -1.72 0.00 0.00 179.24 178.02 3ma6 h ALA 285 N 1.19 0.75 0.00 3.45 0.00 -0.84 -2.56 119.26 121.26 3ma6 h ALA 285 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3ma6 h ALA 285 Cb 1.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ma6 h ALA 285 CO 0.10 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 181.08 3ma6 h LEU 286 N 0.73 0.00 -6.75 0.00 5.85 -1.01 -3.29 115.31 110.83 3ma6 h LEU 286 Ca 0.09 0.00 -0.75 0.00 0.84 0.00 0.00 57.88 58.05 3ma6 h LEU 286 Cb 0.82 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.53 3ma6 h LEU 286 CO 0.07 0.18 0.41 0.47 -0.34 0.00 0.00 178.44 179.23 3ma6 n ASP 287 N -3.40 5.70 -4.25 1.25 8.00 -0.94 -4.67 116.55 118.24 3ma6 n ASP 287 Ca -0.00 -3.41 -0.20 0.00 0.71 0.00 0.00 54.79 51.88 3ma6 n ASP 287 Cb 0.38 -1.12 -0.12 0.00 -0.02 0.00 0.00 41.12 40.24 3ma6 n ASP 287 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3ma6 s HIS 288 N -2.66 1.52 0.25 1.24 2.46 -1.24 -4.86 115.29 111.99 3ma6 s HIS 288 Ca 0.33 -0.48 -0.03 0.00 0.47 0.00 0.00 55.06 55.35 3ma6 s HIS 288 Cb 0.07 -0.81 0.47 0.00 -0.13 0.00 0.00 32.58 32.18 3ma6 s HIS 288 CO 0.07 0.16 1.74 1.49 -2.47 0.00 0.00 174.74 175.73 3ma6 h GLU 289 N 3.84 0.47 0.14 2.88 4.81 -1.94 -0.47 114.58 124.33 3ma6 h GLU 289 Ca -0.42 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3ma6 h GLU 289 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3ma6 h GLU 289 CO 0.45 0.31 -0.07 2.35 -0.73 0.00 0.00 179.01 181.32 3ma6 h TRP 290 N 0.49 -0.18 -0.37 0.92 7.01 -1.97 -1.70 115.95 120.14 3ma6 h TRP 290 Ca 0.42 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.43 3ma6 h TRP 290 Cb 0.63 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 3ma6 h TRP 290 CO -0.15 0.12 0.22 0.82 -2.79 0.00 0.00 178.44 176.66 3ma6 h ILE 291 N -0.48 1.05 0.22 2.65 1.08 -1.79 -0.70 117.51 119.54 3ma6 h ILE 291 Ca -0.02 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3ma6 h ILE 291 Cb 0.37 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3ma6 h ILE 291 CO 0.03 0.08 -0.10 1.56 -0.69 0.00 0.00 178.15 179.03 3ma6 h GLN 292 N 0.45 -0.28 -0.09 2.37 7.50 -1.13 -3.09 115.11 120.84 3ma6 h GLN 292 Ca 0.15 0.02 -0.15 0.00 0.50 0.00 0.00 58.65 59.16 3ma6 h GLN 292 Cb -0.01 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 3ma6 h GLN 292 CO -0.06 -0.02 -0.61 1.79 -1.50 0.00 0.00 178.83 178.43 3ma6 h THR 293 N -0.52 1.38 -0.36 -0.54 1.35 -1.32 -3.23 112.91 109.66 3ma6 h THR 293 Ca -0.03 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3ma6 h THR 293 Cb 0.39 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3ma6 h THR 293 CO 0.05 0.59 0.00 -1.22 -0.25 0.00 0.00 175.52 174.68 3ma6 n TYR 294 N -3.88 0.88 0.00 4.73 4.02 -0.27 -4.81 117.16 117.83 3ma6 n TYR 294 Ca -0.03 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3ma6 n TYR 294 Cb 0.62 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 3ma6 n TYR 294 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3ma6 n THR 295 N 0.51 0.00 -0.60 -0.72 -1.04 -1.17 -4.38 114.28 106.88 3ma6 n THR 295 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3ma6 n THR 295 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3ma6 n THR 295 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72