#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlu s LEU 3 N 0.00 1.91 -0.20 -3.48 1.02 -1.26 -5.04 118.68 111.63 3mlu s LEU 3 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 3mlu s LEU 3 Cb 0.00 0.53 -0.05 0.00 0.02 0.00 0.00 46.19 46.70 3mlu s LEU 3 CO 0.00 -0.52 0.24 -0.76 0.02 0.00 0.00 176.35 175.33 3mlu s LEU 4 N -2.24 4.19 -0.06 1.79 1.43 -1.26 -4.28 118.68 118.25 3mlu s LEU 4 Ca -0.03 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3mlu s LEU 4 Cb -0.00 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3mlu s LEU 4 CO -0.05 0.08 0.00 -0.89 0.23 0.00 0.00 176.35 175.71 3mlu s THR 5 N 0.75 4.25 0.00 5.49 2.01 0.45 -4.04 115.64 124.55 3mlu s THR 5 Ca 0.13 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 3mlu s THR 5 Cb -0.13 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 3mlu s THR 5 CO 0.03 0.54 0.11 -1.10 -0.69 0.00 0.00 174.62 173.51 3mlu s GLN 6 N -1.08 0.43 0.05 4.92 -0.21 -1.26 -1.59 119.66 120.91 3mlu s GLN 6 Ca 0.15 -0.40 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 3mlu s GLN 6 Cb -0.11 0.18 -0.09 0.00 1.00 0.00 0.00 33.01 33.99 3mlu s GLN 6 CO 0.05 -0.10 1.85 -2.14 -2.12 0.00 0.00 175.29 172.83 3mlu s PRO 7 N -1.30 4.15 0.64 2.91 0.02 -1.26 -4.78 135.00 135.38 3mlu s PRO 7 Ca -0.14 2.52 0.25 0.00 0.02 0.00 0.00 61.00 63.65 3mlu s PRO 7 Cb -0.08 -3.93 1.31 0.00 0.02 0.00 0.00 34.50 31.83 3mlu s PRO 7 CO 0.01 -0.89 1.74 -1.00 -0.33 0.00 0.00 177.00 176.54 3mlu h PRO 8 N 9.68 0.00 -2.21 5.54 0.13 -1.97 -3.35 132.00 139.82 3mlu h PRO 8 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 3mlu h PRO 8 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 3mlu h PRO 8 CO 0.94 0.00 0.37 -1.54 -0.23 0.00 0.00 178.00 177.54 3mlu s SER 9 N -4.35 -0.48 -0.04 1.44 1.04 -1.26 -2.40 113.70 107.65 3mlu s SER 9 Ca -0.03 0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 3mlu s SER 9 Cb 0.09 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3mlu s SER 9 CO 0.31 -0.63 0.19 -0.69 0.98 0.00 0.00 173.24 173.39 3mlu s VAL 11 N -2.34 0.04 -0.06 5.02 1.01 -0.22 -4.90 120.40 118.95 3mlu s VAL 11 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3mlu s VAL 11 Cb -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3mlu s VAL 11 CO -0.03 -0.16 -0.15 -0.44 0.00 0.00 0.00 175.10 174.32 3mlu s SER 12 N -0.56 2.02 -0.01 3.32 0.01 -1.26 0.53 113.70 117.76 3mlu s SER 12 Ca -0.07 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3mlu s SER 12 Cb -0.04 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.39 3mlu s SER 12 CO 0.01 0.09 -0.05 0.54 0.41 0.00 0.00 173.24 174.24 3mlu s VAL 13 N 0.40 0.41 0.41 3.43 0.11 -0.67 -4.97 120.40 119.52 3mlu s VAL 13 Ca -0.11 -0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 58.50 3mlu s VAL 13 Cb -0.14 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 3mlu s VAL 13 CO 0.04 0.13 1.13 -0.44 -3.33 0.00 0.00 175.10 172.63 3mlu s SER 14 N 0.08 6.54 0.82 3.54 0.01 -1.26 -1.73 113.70 121.70 3mlu s SER 14 Ca -0.01 2.24 -0.17 0.00 1.31 0.00 0.00 55.95 59.32 3mlu s SER 14 Cb -0.04 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 3mlu s SER 14 CO -0.00 -0.66 -0.35 -2.65 0.41 0.00 0.00 173.24 169.99 3mlu n PRO 15 N -0.07 0.01 -0.57 12.44 -0.02 -1.26 -1.47 135.00 144.07 3mlu n PRO 15 Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3mlu n PRO 15 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3mlu n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlu n GLY 16 N 2.82 0.00 3.69 -1.23 0.00 0.90 -4.85 105.19 106.51 3mlu n GLY 16 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3mlu n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mlu n GLN 17 N -1.24 0.68 -3.50 1.61 6.02 -0.54 -4.15 117.38 116.26 3mlu n GLN 17 Ca 0.00 -3.19 -0.40 0.00 -0.01 0.00 0.00 57.00 53.40 3mlu n GLN 17 Cb 0.10 0.14 -0.10 0.00 1.02 0.00 0.00 30.24 31.40 3mlu n GLN 17 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3mlu s THR 18 N -2.56 5.25 -0.09 5.09 2.01 -1.26 -2.14 115.64 121.95 3mlu s THR 18 Ca 0.40 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 3mlu s THR 18 Cb -0.03 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3mlu s THR 18 CO 0.25 0.03 0.34 0.00 -0.69 0.00 0.00 174.62 174.55 3mlu s ALA 19 N 1.83 3.66 -0.15 7.40 0.00 -0.71 -4.96 121.76 128.82 3mlu s ALA 19 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3mlu s ALA 19 Cb -0.17 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3mlu s ALA 19 CO 0.11 0.30 -0.01 -1.12 0.00 0.00 0.00 175.76 175.04 3mlu s SER 20 N -0.30 5.06 -0.15 0.00 0.01 -1.26 -1.33 113.70 115.73 3mlu s SER 20 Ca 0.20 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.44 3mlu s SER 20 Cb -0.14 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.34 3mlu s SER 20 CO 0.08 0.21 -0.20 -0.63 0.41 0.00 0.00 173.24 173.11 3mlu s ILE 21 N 0.15 1.96 0.53 1.44 1.01 0.97 -4.99 121.20 122.27 3mlu s ILE 21 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3mlu s ILE 21 Cb -0.13 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.61 3mlu s ILE 21 CO 0.02 0.53 0.75 -0.94 0.00 0.00 0.00 174.94 175.30 3mlu s SER 22 N 1.08 5.36 -0.25 3.58 1.04 -1.26 -0.10 113.70 123.15 3mlu s SER 22 Ca -0.01 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 3mlu s SER 22 Cb -0.14 -0.92 0.12 0.00 0.10 0.00 0.00 66.02 65.18 3mlu s SER 22 CO -0.07 -1.07 0.50 0.00 0.98 0.00 0.00 173.24 173.58 3mlu s SER 24 N 2.72 4.22 0.02 0.00 0.01 -0.62 -0.30 113.70 119.75 3mlu s SER 24 Ca 0.03 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 3mlu s SER 24 Cb -0.13 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 3mlu s SER 24 CO -0.16 0.12 0.07 -0.83 0.41 0.00 0.00 173.24 172.85 3mlu s GLY 25 N 0.61 0.17 0.45 3.44 0.00 -0.60 -0.41 107.32 110.97 3mlu s GLY 25 Ca -0.06 -0.48 0.24 0.00 0.00 0.00 0.00 44.72 44.42 3mlu s GLY 25 CO 0.03 -0.60 1.87 -1.80 0.00 0.00 0.00 173.10 172.60 3mlu h ASP 26 N 4.07 0.00 -0.01 1.64 3.58 -1.85 -3.00 116.42 120.84 3mlu h ASP 26 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 3mlu h ASP 26 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3mlu h ASP 26 CO 0.46 0.23 -0.38 0.29 -2.88 0.00 0.00 179.24 176.96 3mlu n LYS 27 N -3.49 1.49 0.00 0.28 5.02 -1.26 -4.63 118.16 115.57 3mlu n LYS 27 Ca -0.00 -0.95 0.03 0.00 -2.02 0.00 0.00 58.31 55.37 3mlu n LYS 27 Cb 0.40 -1.37 0.15 0.00 -0.02 0.00 0.00 35.03 34.19 3mlu n LYS 27 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3mlu n LEU 28 N -0.00 0.00 0.00 -0.35 4.77 -1.13 -1.01 117.00 119.27 3mlu n LEU 28 Ca 0.08 0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.22 3mlu n LEU 28 Cb 0.40 -0.09 0.35 0.00 -2.33 0.00 0.00 43.42 41.75 3mlu n LEU 28 CO 0.23 -0.07 0.71 -0.90 -1.33 0.00 0.00 177.39 176.03 3mlu n ASP 29 N -1.09 0.00 -0.81 -1.43 5.75 -1.17 -3.69 116.55 114.11 3mlu n ASP 29 Ca 0.03 0.25 -0.03 0.00 -0.01 0.00 0.00 54.79 55.03 3mlu n ASP 29 Cb 0.02 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 3mlu n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3mlu n ASP 30 N -1.37 -0.43 -3.88 -1.12 5.75 -0.18 -4.93 116.55 110.38 3mlu n ASP 30 Ca 0.06 -1.61 -0.22 0.00 -0.01 0.00 0.00 54.79 53.01 3mlu n ASP 30 Cb 0.14 0.12 -0.17 0.00 -1.03 0.00 0.00 41.12 40.18 3mlu n ASP 30 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mlu s LYS 31 N 0.00 0.95 -0.05 0.11 1.02 -1.21 -5.11 119.74 115.45 3mlu s LYS 31 Ca 0.02 -0.11 -0.36 0.00 0.02 0.00 0.00 55.97 55.54 3mlu s LYS 31 Cb 0.03 -1.00 -0.14 0.00 -0.52 0.00 0.00 37.83 36.19 3mlu s LYS 31 CO -0.01 -0.13 1.69 0.66 -0.92 0.00 0.00 175.35 176.64 3mlu n TYR 32 N 4.34 2.12 -3.85 3.18 4.01 -1.26 -4.81 117.16 120.89 3mlu n TYR 32 Ca -0.20 0.29 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 3mlu n TYR 32 Cb 0.51 -2.53 -0.03 0.00 -0.31 0.00 0.00 39.34 36.97 3mlu n TYR 32 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mlu s VAL 33 N 2.66 5.27 0.03 -0.72 1.01 -1.26 -4.53 120.40 122.86 3mlu s VAL 33 Ca 0.90 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.31 3mlu s VAL 33 Cb -0.83 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3mlu s VAL 33 CO 0.51 -0.15 -0.10 -0.44 0.00 0.00 0.00 175.10 174.92 3mlu s SER 34 N -3.30 1.09 0.00 3.32 0.01 -0.89 -1.07 113.70 112.87 3mlu s SER 34 Ca 0.36 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.27 3mlu s SER 34 Cb -0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 3mlu s SER 34 CO 0.29 -0.07 -0.25 0.26 0.41 0.00 0.00 173.24 173.88 3mlu s TRP 35 N -0.94 2.37 0.12 2.43 0.52 -0.06 -1.17 118.94 122.21 3mlu s TRP 35 Ca -0.03 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.77 3mlu s TRP 35 Cb -0.08 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 3mlu s TRP 35 CO 0.01 0.05 -0.18 0.71 0.02 0.00 0.00 176.95 177.55 3mlu s TYR 36 N -0.70 1.68 0.02 -1.98 1.51 -0.41 -0.11 117.35 117.36 3mlu s TYR 36 Ca 0.11 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3mlu s TYR 36 Cb -0.10 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 3mlu s TYR 36 CO 0.00 0.23 -0.06 -0.47 -1.11 0.00 0.00 175.55 174.14 3mlu s TYR 37 N -1.65 2.90 -0.18 2.71 5.04 0.23 -2.42 117.35 123.98 3mlu s TYR 37 Ca 0.09 -0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 3mlu s TYR 37 Cb -0.08 -1.59 0.09 0.00 0.35 0.00 0.00 41.96 40.73 3mlu s TYR 37 CO 0.05 0.40 0.37 -1.14 -1.34 0.00 0.00 175.55 173.88 3mlu s GLN 38 N -1.60 0.27 0.14 4.97 0.74 -0.76 0.12 119.66 123.53 3mlu s GLN 38 Ca 0.19 0.89 -0.25 0.00 0.05 0.00 0.00 55.36 56.23 3mlu s GLN 38 Cb -0.11 0.11 -0.07 0.00 1.10 0.00 0.00 33.01 34.04 3mlu s GLN 38 CO 0.09 -0.31 0.76 1.03 -0.55 0.00 0.00 175.29 176.31 3mlu s ARG 39 N 2.55 4.53 -0.30 1.67 0.52 -1.26 -2.01 118.95 124.64 3mlu s ARG 39 Ca 0.01 1.11 -0.37 0.00 -0.52 0.00 0.00 55.73 55.95 3mlu s ARG 39 Cb -0.12 -3.28 -0.17 0.00 0.52 0.00 0.00 34.95 31.90 3mlu s ARG 39 CO -0.12 0.53 1.21 -2.30 0.02 0.00 0.00 175.30 174.64 3mlu n PRO 40 N 1.82 0.00 0.00 3.54 -0.02 -1.26 -0.23 135.00 138.85 3mlu n PRO 40 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3mlu n PRO 40 Cb 0.49 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3mlu n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlu n GLY 41 N 2.75 2.65 3.97 -1.23 0.00 -1.26 -5.00 105.19 107.06 3mlu n GLY 41 Ca 0.23 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3mlu n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlu s GLN 42 N 0.00 1.10 0.08 1.61 -1.52 0.68 -5.10 119.66 116.50 3mlu s GLN 42 Ca 0.00 -0.90 0.01 0.00 -1.95 0.00 0.00 55.36 52.51 3mlu s GLN 42 Cb 0.00 -2.12 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 3mlu s GLN 42 CO 0.00 -1.95 0.22 -1.12 -0.25 0.00 0.00 175.29 172.18 3mlu s SER 43 N -4.85 6.31 0.35 5.90 0.01 -1.26 -4.64 113.70 115.53 3mlu s SER 43 Ca 0.71 0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.93 3mlu s SER 43 Cb -0.04 -1.93 -0.12 0.00 0.21 0.00 0.00 66.02 64.15 3mlu s SER 43 CO 0.49 0.15 1.35 -2.65 0.41 0.00 0.00 173.24 172.98 3mlu n PRO 44 N 0.15 2.28 -5.02 12.44 -0.02 -1.25 -4.67 135.00 138.90 3mlu n PRO 44 Ca -0.06 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 3mlu n PRO 44 Cb 0.52 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 3mlu n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mlu s VAL 45 N -1.10 1.97 0.29 -1.45 1.01 0.32 -4.88 120.40 116.56 3mlu s VAL 45 Ca 0.55 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3mlu s VAL 45 Cb -0.54 -1.72 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 3mlu s VAL 45 CO 0.63 0.54 1.50 -0.22 0.00 0.00 0.00 175.10 177.54 3mlu s LEU 46 N 0.49 4.36 0.00 3.92 2.96 -1.26 0.77 118.68 129.93 3mlu s LEU 46 Ca -0.16 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 3mlu s LEU 46 Cb -0.17 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.88 3mlu s LEU 46 CO 0.06 -0.80 0.00 0.18 -1.32 0.00 0.00 176.35 174.47 3mlu n LEU 47 N 1.91 0.00 -3.63 -0.68 4.77 0.84 -4.84 117.00 115.36 3mlu n LEU 47 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 3mlu n LEU 47 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3mlu n LEU 47 CO 0.62 0.00 0.77 -0.32 -1.33 0.00 0.00 177.39 177.13 3mlu s MET 48 N -1.88 0.49 -0.01 3.23 0.00 -1.19 -4.23 119.30 115.71 3mlu s MET 48 Ca 0.00 0.52 -0.24 0.00 0.00 0.00 0.00 55.69 55.98 3mlu s MET 48 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 34.83 35.12 3mlu s MET 48 CO 0.00 -0.07 0.52 1.52 0.00 0.00 0.00 175.02 176.99 3mlu s TYR 49 N 0.08 -0.45 -1.08 4.11 -0.85 -0.67 -0.88 117.35 117.61 3mlu s TYR 49 Ca 0.03 0.67 -0.13 0.00 -0.52 0.00 0.00 57.07 57.12 3mlu s TYR 49 Cb -0.05 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3mlu s TYR 49 CO -0.06 -0.56 0.85 0.94 -1.52 0.00 0.00 175.55 175.20 3mlu n GLN 50 N 0.85 -1.72 0.00 -3.49 7.27 -0.93 -0.58 117.38 118.78 3mlu n GLN 50 Ca -0.19 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3mlu n GLN 50 Cb 0.58 -4.98 0.00 0.00 2.41 0.00 0.00 30.24 28.25 3mlu n GLN 50 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3mlu n ASP 51 N -2.91 0.00 0.00 1.69 8.00 -0.23 -3.23 116.55 119.87 3mlu n ASP 51 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3mlu n ASP 51 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3mlu n ASP 51 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3mlu n PHE 52 N 0.00 0.00 -2.31 1.24 1.16 -1.23 -3.51 117.46 112.81 3mlu n PHE 52 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 3mlu n PHE 52 Cb 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 3mlu n PHE 52 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3mlu s LYS 53 N -0.27 3.62 -0.04 3.97 1.02 0.25 -4.53 119.74 123.76 3mlu s LYS 53 Ca 0.00 1.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 3mlu s LYS 53 Cb 0.00 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 3mlu s LYS 53 CO 0.00 -1.50 1.35 1.03 -0.92 0.00 0.00 175.35 175.30 3mlu s ARG 54 N 4.86 4.29 0.66 1.68 0.52 -1.26 -1.67 118.95 128.03 3mlu s ARG 54 Ca 0.63 1.86 -0.15 0.00 -0.52 0.00 0.00 55.73 57.55 3mlu s ARG 54 Cb -0.16 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.69 3mlu s ARG 54 CO 0.31 -0.58 1.11 -1.25 0.02 0.00 0.00 175.30 174.91 3mlu s PRO 55 N 2.61 2.77 0.45 3.54 0.04 -1.26 -4.96 135.00 138.19 3mlu s PRO 55 Ca 0.61 1.38 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 3mlu s PRO 55 Cb -0.28 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3mlu s PRO 55 CO 0.24 -1.27 1.43 -1.13 0.04 0.00 0.00 177.00 176.30 3mlu n SER 56 N -2.47 3.29 0.00 6.66 3.41 -1.26 -2.89 113.62 120.36 3mlu n SER 56 Ca 0.10 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 3mlu n SER 56 Cb 0.52 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 3mlu n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlu n GLY 57 N 0.59 0.78 3.44 5.00 0.00 -1.26 -5.04 105.19 108.70 3mlu n GLY 57 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3mlu n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mlu s ILE 58 N -2.84 4.03 0.60 -0.61 -1.09 -1.14 -5.07 121.20 115.08 3mlu s ILE 58 Ca 0.00 -0.28 -0.19 0.00 -2.23 0.00 0.00 60.65 57.95 3mlu s ILE 58 Cb 0.00 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3mlu s ILE 58 CO 0.00 0.40 1.30 -2.84 -1.23 0.00 0.00 174.94 172.57 3mlu s PRO 59 N 1.21 2.83 0.59 2.79 0.02 -1.26 -4.87 135.00 136.31 3mlu s PRO 59 Ca 0.04 2.07 0.34 0.00 0.02 0.00 0.00 61.00 63.47 3mlu s PRO 59 Cb -0.15 -2.00 1.84 0.00 0.02 0.00 0.00 34.50 34.22 3mlu s PRO 59 CO 0.02 -1.39 2.21 0.93 -0.33 0.00 0.00 177.00 178.44 3mlu h GLU 60 N 0.92 0.00 0.00 5.54 3.07 -2.00 -2.65 114.58 119.45 3mlu h GLU 60 Ca -0.51 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.34 3mlu h GLU 60 Cb 1.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.23 3mlu h GLU 60 CO 0.55 0.04 -0.06 0.07 -1.40 0.00 0.00 179.01 178.21 3mlu h ARG 61 N 0.00 0.00 -6.13 2.33 0.11 -1.91 -3.39 114.38 105.39 3mlu h ARG 61 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.52 3mlu h ARG 61 Cb 0.16 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.19 3mlu h ARG 61 CO 0.01 0.06 0.15 -1.17 0.10 0.00 0.00 179.97 179.11 3mlu s LEU 62 N -6.97 4.34 0.06 0.08 2.96 -1.00 -1.41 118.68 116.74 3mlu s LEU 62 Ca -0.03 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 3mlu s LEU 62 Cb 0.13 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 3mlu s LEU 62 CO 0.54 -0.13 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.43 3mlu s SER 63 N 0.77 0.87 -0.05 3.68 1.04 0.12 -4.94 113.70 115.20 3mlu s SER 63 Ca 0.40 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3mlu s SER 63 Cb -0.19 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3mlu s SER 63 CO 0.20 -0.35 -0.05 -0.83 0.98 0.00 0.00 173.24 173.20 3mlu s GLY 64 N -2.25 0.47 0.16 7.32 0.00 -1.26 -0.24 107.32 111.51 3mlu s GLY 64 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 3mlu s GLY 64 CO -0.03 0.43 0.10 -1.35 0.00 0.00 0.00 173.10 172.25 3mlu s SER 65 N 0.91 0.23 -0.27 1.64 1.04 -0.38 -4.16 113.70 112.71 3mlu s SER 65 Ca -0.11 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 55.05 3mlu s SER 65 Cb -0.14 0.34 0.16 0.00 0.10 0.00 0.00 66.02 66.47 3mlu s SER 65 CO 0.00 -0.78 0.49 -0.75 0.98 0.00 0.00 173.24 173.18 3mlu s LYS 66 N -4.08 0.46 -0.19 4.02 2.20 -1.26 0.49 119.74 121.37 3mlu s LYS 66 Ca 0.29 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.64 3mlu s LYS 66 Cb 0.07 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 3mlu s LYS 66 CO 0.05 -0.61 -0.03 0.45 -0.36 0.00 0.00 175.35 174.85 3mlu s SER 67 N 2.70 4.61 0.87 1.43 0.15 0.32 -4.94 113.70 118.85 3mlu s SER 67 Ca 0.16 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3mlu s SER 67 Cb -0.15 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 3mlu s SER 67 CO -0.18 0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3mlu n GLY 68 N 4.24 1.69 1.38 9.45 0.00 -1.26 -2.07 105.19 118.63 3mlu n GLY 68 Ca -0.17 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.34 3mlu n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlu n LYS 69 N 12.94 3.42 -5.04 1.61 5.02 -1.26 -3.05 118.16 131.80 3mlu n LYS 69 Ca 0.00 -2.23 -0.32 0.00 -2.02 0.00 0.00 58.31 53.74 3mlu n LYS 69 Cb 0.00 -1.88 -0.17 0.00 -0.02 0.00 0.00 35.03 32.96 3mlu n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mlu s THR 70 N -2.00 2.07 0.05 -0.18 2.01 -0.88 -1.56 115.64 115.15 3mlu s THR 70 Ca 0.39 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.46 3mlu s THR 70 Cb 0.27 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 3mlu s THR 70 CO 0.16 0.56 -0.18 0.00 -0.69 0.00 0.00 174.62 174.47 3mlu s ALA 71 N 0.50 2.62 -0.05 7.40 0.00 0.59 -0.52 121.76 132.29 3mlu s ALA 71 Ca -0.15 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3mlu s ALA 71 Cb -0.17 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 3mlu s ALA 71 CO 0.05 0.58 -0.18 0.99 0.00 0.00 0.00 175.76 177.20 3mlu s THR 72 N -0.95 1.52 -0.17 0.00 2.01 0.18 -0.30 115.64 117.92 3mlu s THR 72 Ca 0.15 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 3mlu s THR 72 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3mlu s THR 72 CO 0.06 0.44 0.41 -0.22 -0.69 0.00 0.00 174.62 174.61 3mlu s LEU 73 N 0.15 4.20 -0.07 4.42 2.96 0.85 -1.25 118.68 129.94 3mlu s LEU 73 Ca -0.07 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 3mlu s LEU 73 Cb -0.13 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 3mlu s LEU 73 CO 0.03 -0.04 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.92 3mlu s THR 74 N 1.03 2.38 -0.20 3.68 2.01 0.67 -0.02 115.64 125.19 3mlu s THR 74 Ca 0.21 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3mlu s THR 74 Cb -0.15 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.51 3mlu s THR 74 CO 0.08 0.57 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.85 3mlu s ILE 75 N -0.17 1.60 0.63 1.82 1.01 -0.44 0.15 121.20 125.80 3mlu s ILE 75 Ca -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 3mlu s ILE 75 Cb -0.14 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.70 3mlu s ILE 75 CO 0.04 0.15 0.90 -0.94 0.00 0.00 0.00 174.94 175.08 3mlu s SER 76 N 1.41 4.97 -1.35 3.58 1.04 -0.50 -1.75 113.70 121.10 3mlu s SER 76 Ca -0.01 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 3mlu s SER 76 Cb -0.16 -0.85 0.01 0.00 0.10 0.00 0.00 66.02 65.11 3mlu s SER 76 CO -0.08 -1.41 0.65 0.61 0.98 0.00 0.00 173.24 173.99 3mlu n GLY 77 N -2.63 -0.29 3.75 7.32 0.00 -1.23 -4.76 105.19 107.35 3mlu n GLY 77 Ca 0.09 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3mlu n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mlu s THR 78 N -3.71 2.79 0.04 2.61 -4.23 -0.91 -4.69 115.64 107.54 3mlu s THR 78 Ca 0.06 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.88 3mlu s THR 78 Cb -0.03 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.74 3mlu s THR 78 CO 0.83 -0.15 0.30 -1.10 -0.54 0.00 0.00 174.62 173.96 3mlu s GLN 79 N -3.57 0.79 0.43 3.99 -0.21 -1.26 -0.07 119.66 119.76 3mlu s GLN 79 Ca 0.74 -0.48 0.29 0.00 0.02 0.00 0.00 55.36 55.93 3mlu s GLN 79 Cb -0.27 0.34 1.41 0.00 1.00 0.00 0.00 33.01 35.49 3mlu s GLN 79 CO 0.36 -0.25 1.62 0.77 -2.12 0.00 0.00 175.29 175.66 3mlu h SER 80 N 3.28 0.26 0.05 5.90 0.02 -1.96 0.69 113.55 121.79 3mlu h SER 80 Ca -0.32 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3mlu h SER 80 Cb 1.20 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3mlu h SER 80 CO 0.45 -0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 3mlu n LEU 81 N -4.76 0.00 -0.14 5.07 7.99 -1.26 -2.07 117.00 121.84 3mlu n LEU 81 Ca 0.37 0.11 0.08 0.00 -0.01 0.00 0.00 56.01 56.57 3mlu n LEU 81 Cb 1.41 -0.11 -0.07 0.00 -0.11 0.00 0.00 43.42 44.54 3mlu n LEU 81 CO 0.18 -0.09 0.06 0.47 -1.51 0.00 0.00 177.39 176.51 3mlu n ASP 82 N -1.11 1.12 -4.71 -1.43 8.00 0.24 -4.97 116.55 113.69 3mlu n ASP 82 Ca 0.05 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 3mlu n ASP 82 Cb 0.04 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 3mlu n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mlu s GLU 83 N -2.44 4.26 0.00 -1.24 2.02 -0.88 -4.86 118.70 115.56 3mlu s GLU 83 Ca 0.09 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.29 3mlu s GLU 83 Cb 0.13 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3mlu s GLU 83 CO 0.62 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.75 3mlu n GLY 84 N 3.69 -0.66 3.84 -1.39 0.00 -1.24 -4.81 105.19 104.62 3mlu n GLY 84 Ca 0.13 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 3mlu n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mlu s ASP 85 N -4.00 5.75 -0.02 1.61 1.01 -0.85 -0.59 116.67 119.57 3mlu s ASP 85 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.20 3mlu s ASP 85 Cb 0.00 -1.57 0.03 0.00 1.01 0.00 0.00 42.92 42.39 3mlu s ASP 85 CO 0.00 0.05 0.02 -0.31 0.21 0.00 0.00 175.17 175.14 3mlu s TYR 86 N -1.80 0.14 -0.08 4.23 1.51 -1.08 -1.84 117.35 118.43 3mlu s TYR 86 Ca 0.32 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 3mlu s TYR 86 Cb -0.10 -0.32 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 3mlu s TYR 86 CO 0.25 -0.11 -0.17 0.71 -1.11 0.00 0.00 175.55 175.12 3mlu s TYR 87 N 1.12 1.94 0.16 2.71 1.51 -1.01 -2.46 117.35 121.32 3mlu s TYR 87 Ca -0.09 -0.78 -0.14 0.00 -1.01 0.00 0.00 57.07 55.06 3mlu s TYR 87 Cb -0.13 -1.36 -0.07 0.00 -0.11 0.00 0.00 41.96 40.29 3mlu s TYR 87 CO -0.03 -0.35 0.57 0.00 -1.11 0.00 0.00 175.55 174.63 3mlu s GLN 89 N -2.06 1.06 0.01 0.00 -2.07 -0.32 0.62 119.66 116.89 3mlu s GLN 89 Ca 0.39 -1.49 -0.01 0.00 -1.82 0.00 0.00 55.36 52.43 3mlu s GLN 89 Cb -0.15 -0.27 0.00 0.00 -1.09 0.00 0.00 33.01 31.50 3mlu s GLN 89 CO 0.19 -0.10 0.03 0.00 -1.32 0.00 0.00 175.29 174.09 3mlu n ALA 90 N -0.20 -0.06 -3.00 2.60 0.00 -0.53 -2.09 120.51 117.23 3mlu n ALA 90 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3mlu n ALA 90 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3mlu n ALA 90 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3mlu n TRP 91 N -0.02 0.00 0.00 0.00 7.02 -1.26 -2.06 117.44 121.12 3mlu n TRP 91 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mlu n TRP 91 Cb 0.02 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 3mlu n TRP 91 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3mlu n ASP 92 N 0.00 0.00 -4.56 -0.99 -0.08 -0.67 -4.74 116.55 105.51 3mlu n ASP 92 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 3mlu n ASP 92 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 3mlu n ASP 92 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mlu s ALA 93 N -0.28 3.22 0.00 -1.67 0.00 -1.25 -0.71 121.76 121.07 3mlu s ALA 93 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3mlu s ALA 93 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3mlu s ALA 93 CO 0.00 -0.16 0.00 -1.13 0.00 0.00 0.00 175.76 174.47 3mlu n SER 94 N -1.03 0.00 -4.76 0.00 3.41 -0.83 -4.92 113.62 105.50 3mlu n SER 94 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 3mlu n SER 94 Cb 0.67 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.64 3mlu n SER 94 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mlu s THR 95 N 0.00 2.15 0.36 6.66 2.01 -1.26 -0.96 115.64 124.61 3mlu s THR 95 Ca 0.00 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 3mlu s THR 95 Cb 0.00 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 3mlu s THR 95 CO 0.00 0.01 1.17 -0.83 -0.69 0.00 0.00 174.62 174.28 3mlu s GLY 95 N -0.81 2.93 0.34 4.40 0.00 -1.06 -4.89 107.32 108.23 3mlu s GLY 95 Ca 0.67 0.99 0.06 0.00 0.00 0.00 0.00 44.72 46.43 3mlu s GLY 95 CO 0.50 1.55 1.87 -0.24 0.00 0.00 0.00 173.10 176.77 3mlu h VAL 95 N 2.63 1.20 0.00 1.40 3.04 -2.07 -3.46 116.25 118.99 3mlu h VAL 95 Ca -0.48 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.34 3mlu h VAL 95 Cb 1.23 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 3mlu h VAL 95 CO 0.64 0.28 -0.09 0.77 -1.01 0.00 0.00 177.57 178.16 3mlu h SER 95 N 0.42 0.08 0.00 3.17 4.64 -2.03 -3.56 113.55 116.26 3mlu h SER 95 Ca 0.09 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 3mlu h SER 95 Cb 0.38 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3mlu h SER 95 CO 0.02 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 3mlu n GLY 95 N 1.14 0.00 2.95 -0.77 0.00 -1.26 -5.26 105.19 101.99 3mlu n GLY 95 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3mlu n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlu s THR 96 N 0.00 0.92 -0.23 2.61 2.01 -1.26 -2.58 115.64 117.11 3mlu s THR 96 Ca 0.00 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 3mlu s THR 96 Cb 0.00 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3mlu s THR 96 CO 0.00 0.32 0.50 -0.75 -0.69 0.00 0.00 174.62 174.00 3mlu s LYS 97 N 1.07 4.12 -0.12 4.92 2.20 -0.13 -4.86 119.74 126.95 3mlu s LYS 97 Ca -0.07 0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.81 3mlu s LYS 97 Cb -0.14 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 3mlu s LYS 97 CO -0.01 -0.24 0.10 -0.51 -0.36 0.00 0.00 175.35 174.33 3mlu s LEU 98 N 1.95 4.13 -0.02 5.43 1.43 -1.26 -1.97 118.68 128.37 3mlu s LEU 98 Ca 0.22 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3mlu s LEU 98 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3mlu s LEU 98 CO 0.09 0.38 -0.01 -0.89 0.23 0.00 0.00 176.35 176.15 3mlu s THR 99 N -0.83 0.17 -0.36 5.49 2.01 0.12 -4.99 115.64 117.25 3mlu s THR 99 Ca 0.13 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 3mlu s THR 99 Cb -0.12 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.21 3mlu s THR 99 CO 0.03 0.10 0.16 -0.69 -0.69 0.00 0.00 174.62 173.53 3mlu s VAL 100 N 0.53 4.25 -0.10 3.82 1.01 -1.26 -1.67 120.40 126.98 3mlu s VAL 100 Ca -0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 3mlu s VAL 100 Cb -0.08 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3mlu s VAL 100 CO -0.01 -0.20 0.10 -1.48 0.00 0.00 0.00 175.10 173.51 3mlu s LEU 101 N 1.49 4.13 0.02 3.92 2.34 -0.88 -4.98 118.68 124.74 3mlu s LEU 101 Ca 0.01 0.36 0.05 0.00 0.06 0.00 0.00 54.13 54.61 3mlu s LEU 101 Cb -0.19 -2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 43.39 3mlu s LEU 101 CO 0.05 0.39 -0.11 -0.36 -1.06 0.00 0.00 176.35 175.26 3mlu s PHE 102 N -1.00 2.75 1.16 3.48 0.40 -1.26 -1.45 117.98 122.06 3mlu s PHE 102 Ca 0.15 -0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 3mlu s PHE 102 Cb -0.12 -1.55 0.28 0.00 0.51 0.00 0.00 43.02 42.15 3mlu s PHE 102 CO 0.04 0.32 1.03 0.20 0.70 0.00 0.00 175.22 177.51 3mlu s GLY 103 N -1.43 1.55 0.31 4.36 0.00 0.20 -4.50 107.32 107.81 3mlu s GLY 103 Ca 0.16 -0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.01 3mlu s GLY 103 CO 0.07 0.61 1.31 0.83 0.00 0.00 0.00 173.10 175.92 3mlu h GLU 104 N -2.62 0.00 0.00 2.90 3.07 -1.90 -3.44 114.58 112.59 3mlu h GLU 104 Ca -0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 3mlu h GLU 104 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3mlu h GLU 104 CO 0.50 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.52 3mlu n GLY 105 N 1.15 2.38 2.71 -3.84 0.00 -1.26 -5.01 105.19 101.31 3mlu n GLY 105 Ca 0.02 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 3mlu n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlu s THR 106 N -2.64 0.48 -0.12 2.61 2.01 -1.03 -4.13 115.64 112.82 3mlu s THR 106 Ca 0.00 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 3mlu s THR 106 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3mlu s THR 106 CO 0.00 -0.33 1.54 -0.60 -0.69 0.00 0.00 174.62 174.54 3mlu s ARG 106 N 1.87 4.12 -0.31 4.92 6.06 -1.01 -2.64 118.95 131.96 3mlu s ARG 106 Ca 0.02 1.94 -0.20 0.00 -2.50 0.00 0.00 55.73 54.98 3mlu s ARG 106 Cb -0.17 -3.93 -0.01 0.00 0.06 0.00 0.00 34.95 30.90 3mlu s ARG 106 CO -0.13 -0.89 0.62 -1.17 -2.50 0.00 0.00 175.30 171.23 3mlu s LEU 107 N 4.11 4.16 -0.25 -0.88 2.96 0.24 -1.05 118.68 127.97 3mlu s LEU 107 Ca 0.68 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.87 3mlu s LEU 107 Cb -0.28 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 3mlu s LEU 107 CO 0.25 -0.48 0.16 -0.89 -1.32 0.00 0.00 176.35 174.07 3mlu s THR 108 N 2.60 5.32 -0.42 3.68 2.01 0.19 -3.63 115.64 125.38 3mlu s THR 108 Ca 0.25 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 3mlu s THR 108 Cb -0.15 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3mlu s THR 108 CO 0.12 0.32 0.37 -0.69 -0.69 0.00 0.00 174.62 174.05 3mlu s VAL 109 N 1.25 5.18 -0.92 3.82 1.01 -1.26 -1.67 120.40 127.81 3mlu s VAL 109 Ca 0.07 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 3mlu s VAL 109 Cb -0.14 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 3mlu s VAL 109 CO 0.06 -0.38 1.92 0.18 0.00 0.00 0.00 175.10 176.88 3mlu n LEU 110 N 5.37 3.51 0.12 3.92 4.77 -0.70 -4.75 117.00 129.24 3mlu n LEU 110 Ca -0.09 -2.95 0.13 0.00 -0.03 0.00 0.00 56.01 53.06 3mlu n LEU 110 Cb 0.47 -1.36 0.45 0.00 -2.33 0.00 0.00 43.42 40.65 3mlu n LEU 110 CO 0.44 -1.07 0.87 0.00 -1.33 0.00 0.00 177.39 176.30 3mlu n ALA 111 N 10.56 2.01 -2.62 -1.18 0.00 -1.26 -4.35 120.51 123.66 3mlu n ALA 111 Ca 0.47 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 3mlu n ALA 111 Cb 0.43 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 3mlu n ALA 111 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3mlu s GLN 112 N -3.20 1.43 0.31 0.00 -2.07 -1.26 -5.07 119.66 109.80 3mlu s GLN 112 Ca 0.08 -1.53 -0.29 0.00 -1.82 0.00 0.00 55.36 51.80 3mlu s GLN 112 Cb 0.11 0.36 -0.10 0.00 -1.09 0.00 0.00 33.01 32.29 3mlu s GLN 112 CO 0.51 -0.54 1.19 -2.14 -1.32 0.00 0.00 175.29 172.99 3mlu s PRO 113 N -3.95 4.48 -0.25 9.60 0.02 -1.26 -4.91 135.00 138.73 3mlu s PRO 113 Ca 0.32 1.98 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 3mlu s PRO 113 Cb 0.03 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.35 3mlu s PRO 113 CO 0.13 0.01 0.87 1.17 -0.33 0.00 0.00 177.00 178.85 3mlu n LYS 114 N 0.95 0.00 -4.47 5.54 4.81 -1.26 -4.74 118.16 119.00 3mlu n LYS 114 Ca -0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 3mlu n LYS 114 Cb 0.44 -0.74 -0.10 0.00 0.02 0.00 0.00 35.03 34.64 3mlu n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mlu s ALA 115 N 1.91 2.61 -0.10 3.14 0.00 0.90 -4.90 121.76 125.32 3mlu s ALA 115 Ca 0.54 -1.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 3mlu s ALA 115 Cb -0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3mlu s ALA 115 CO 0.38 0.07 0.03 0.00 0.00 0.00 0.00 175.76 176.24 3mlu s ALA 116 N -2.77 3.37 0.16 0.00 0.00 -1.26 -2.69 121.76 118.58 3mlu s ALA 116 Ca 0.30 -0.78 -0.34 0.00 0.00 0.00 0.00 51.96 51.15 3mlu s ALA 116 Cb 0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 23.12 21.39 3mlu s ALA 116 CO 0.14 0.54 1.44 -2.30 0.00 0.00 0.00 175.76 175.57 3mlu n PRO 117 N 2.30 1.77 -2.88 0.00 -0.02 -1.26 -4.54 135.00 130.37 3mlu n PRO 117 Ca -0.19 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3mlu n PRO 117 Cb 0.54 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 3mlu n PRO 117 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3mlu s SER 118 N 0.56 6.94 -0.21 2.55 0.01 0.35 -4.91 113.70 118.98 3mlu s SER 118 Ca 0.77 1.16 -0.05 0.00 1.31 0.00 0.00 55.95 59.14 3mlu s SER 118 Cb -0.76 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.00 3mlu s SER 118 CO 0.44 -0.43 -0.01 -0.69 0.41 0.00 0.00 173.24 172.97 3mlu s VAL 119 N 2.32 3.79 -0.31 3.43 1.01 -1.26 0.10 120.40 129.48 3mlu s VAL 119 Ca 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3mlu s VAL 119 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.56 3mlu s VAL 119 CO 0.11 0.41 0.02 -0.89 0.00 0.00 0.00 175.10 174.75 3mlu s THR 120 N 1.26 2.85 -0.21 3.92 2.01 0.24 -4.96 115.64 120.74 3mlu s THR 120 Ca 0.04 -1.61 -0.10 0.00 0.31 0.00 0.00 61.69 60.33 3mlu s THR 120 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3mlu s THR 120 CO 0.01 -0.23 0.13 -0.22 -0.69 0.00 0.00 174.62 173.62 3mlu s LEU 121 N 1.18 4.13 0.01 4.42 2.96 -1.26 0.52 118.68 130.64 3mlu s LEU 121 Ca -0.02 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3mlu s LEU 121 Cb -0.20 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 3mlu s LEU 121 CO -0.03 0.14 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.73 3mlu s PHE 122 N 0.63 2.94 0.48 5.38 0.08 -0.35 -4.97 117.98 122.16 3mlu s PHE 122 Ca 0.07 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3mlu s PHE 122 Cb -0.12 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 3mlu s PHE 122 CO 0.01 0.40 0.78 -1.25 -0.10 0.00 0.00 175.22 175.06 3mlu s PRO 123 N -1.51 3.50 0.19 0.24 0.04 -1.26 -1.71 135.00 134.49 3mlu s PRO 123 Ca 0.18 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.07 3mlu s PRO 123 Cb -0.11 -2.39 -0.16 0.00 0.04 0.00 0.00 34.50 31.88 3mlu s PRO 123 CO 0.09 -0.21 0.91 -2.30 0.04 0.00 0.00 177.00 175.53 3mlu n PRO 124 N -2.25 0.70 -2.07 0.56 -0.02 -1.11 -4.87 135.00 125.93 3mlu n PRO 124 Ca 0.00 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 3mlu n PRO 124 Cb 0.55 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 3mlu n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mlu s SER 125 N -0.45 6.26 0.24 2.55 1.04 -1.26 -4.93 113.70 117.15 3mlu s SER 125 Ca 0.69 1.32 -0.04 0.00 0.48 0.00 0.00 55.95 58.40 3mlu s SER 125 Cb -0.89 -2.42 0.45 0.00 0.10 0.00 0.00 66.02 63.26 3mlu s SER 125 CO 0.56 -0.79 1.74 0.28 0.98 0.00 0.00 173.24 176.01 3mlu h SER 126 N -0.13 0.36 -0.03 7.02 0.02 -1.98 -0.74 113.55 118.08 3mlu h SER 126 Ca -0.45 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3mlu h SER 126 Cb 1.19 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 3mlu h SER 126 CO 0.62 0.15 0.02 -0.33 -1.14 0.00 0.00 176.83 176.15 3mlu h GLU 127 N 0.50 0.03 -0.60 3.45 3.07 -1.98 0.51 114.58 119.57 3mlu h GLU 127 Ca 0.41 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.17 3mlu h GLU 127 Cb 0.59 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3mlu h GLU 127 CO -0.37 0.05 -0.01 1.49 -1.40 0.00 0.00 179.01 178.77 3mlu h GLU 128 N 0.01 1.06 -0.43 2.33 4.81 -1.78 0.12 114.58 120.68 3mlu h GLU 128 Ca 0.01 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3mlu h GLU 128 Cb 0.03 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3mlu h GLU 128 CO -0.00 1.04 0.21 -0.07 -0.73 0.00 0.00 179.01 179.45 3mlu h LEU 129 N 0.96 0.57 -2.03 1.64 3.38 -0.73 0.44 115.31 119.54 3mlu h LEU 129 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3mlu h LEU 129 Cb 0.57 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3mlu h LEU 129 CO 0.03 0.54 0.00 1.56 0.09 0.00 0.00 178.44 180.66 3mlu h GLN 130 N 0.56 0.00 -0.63 1.13 4.20 0.30 -0.76 115.11 119.90 3mlu h GLN 130 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mlu h GLN 130 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mlu h GLN 130 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 3mlu n ALA 131 N -2.53 2.74 -1.41 3.87 0.00 0.38 -4.88 120.51 118.67 3mlu n ALA 131 Ca -0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 3mlu n ALA 131 Cb 0.09 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3mlu n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mlu n ASN 132 N 0.16 -5.48 -4.56 0.00 3.02 -0.29 -4.97 115.26 103.14 3mlu n ASN 132 Ca 0.08 0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 54.72 3mlu n ASN 132 Cb 0.39 -4.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 3mlu n ASN 132 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mlu s LYS 133 N -3.16 1.85 -0.12 3.52 -0.14 -0.55 -4.58 119.74 116.57 3mlu s LYS 133 Ca 0.00 -1.93 -0.06 0.00 -1.36 0.00 0.00 55.97 52.62 3mlu s LYS 133 Cb 0.00 -1.73 0.05 0.00 -1.68 0.00 0.00 37.83 34.47 3mlu s LYS 133 CO 0.00 0.13 0.28 0.00 -0.76 0.00 0.00 175.35 175.00 3mlu s ALA 134 N -2.61 -0.67 -0.03 5.17 0.00 -1.20 -2.85 121.76 119.57 3mlu s ALA 134 Ca 0.33 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3mlu s ALA 134 Cb 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3mlu s ALA 134 CO 0.17 -0.21 -0.01 0.99 0.00 0.00 0.00 175.76 176.71 3mlu s THR 135 N 1.21 0.22 -0.16 0.00 2.01 -1.26 -2.61 115.64 115.05 3mlu s THR 135 Ca -0.09 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 3mlu s THR 135 Cb -0.09 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 3mlu s THR 135 CO -0.09 0.15 0.26 -0.76 -0.69 0.00 0.00 174.62 173.49 3mlu s LEU 136 N 1.00 4.26 -0.38 4.42 1.43 -0.43 -2.74 118.68 126.24 3mlu s LEU 136 Ca -0.10 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3mlu s LEU 136 Cb -0.14 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.88 3mlu s LEU 136 CO -0.01 0.15 0.12 -0.69 0.23 0.00 0.00 176.35 176.15 3mlu s VAL 137 N 0.27 2.63 -0.46 -1.59 1.01 -0.69 -2.00 120.40 119.58 3mlu s VAL 137 Ca 0.15 -2.37 -0.21 0.00 0.00 0.00 0.00 61.98 59.55 3mlu s VAL 137 Cb -0.13 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3mlu s VAL 137 CO 0.03 -0.65 0.68 0.00 0.00 0.00 0.00 175.10 175.16 3mlu s LEU 139 N 2.95 5.01 -0.38 0.00 1.43 0.18 -1.39 118.68 126.48 3mlu s LEU 139 Ca 0.23 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3mlu s LEU 139 Cb -0.14 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3mlu s LEU 139 CO 0.19 -0.62 0.28 -0.63 0.23 0.00 0.00 176.35 175.80 3mlu s ILE 140 N 2.10 5.27 0.05 -0.59 1.09 -1.05 0.80 121.20 128.86 3mlu s ILE 140 Ca 0.11 -0.48 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 3mlu s ILE 140 Cb -0.19 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.34 3mlu s ILE 140 CO 0.12 -0.20 -0.14 -0.94 -0.10 0.00 0.00 174.94 173.68 3mlu s SER 141 N 1.70 1.61 0.00 3.58 1.04 0.28 -2.14 113.70 119.77 3mlu s SER 141 Ca 0.06 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3mlu s SER 141 Cb -0.18 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3mlu s SER 141 CO 0.10 -0.02 0.00 0.47 0.98 0.00 0.00 173.24 174.77 3mlu n ASP 142 N 1.64 -1.75 -4.55 7.02 8.00 -0.13 0.13 116.55 126.92 3mlu n ASP 142 Ca -0.19 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.97 3mlu n ASP 142 Cb 0.54 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 3mlu n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mlu s PHE 143 N -2.86 2.95 -0.05 1.24 -0.71 -1.18 -4.18 117.98 113.19 3mlu s PHE 143 Ca 0.00 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.83 3mlu s PHE 143 Cb 0.00 -1.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.06 3mlu s PHE 143 CO 0.00 0.23 -0.09 -0.47 -1.34 0.00 0.00 175.22 173.55 3mlu s TYR 144 N -0.51 1.12 0.00 3.49 5.04 -1.10 -2.25 117.35 123.14 3mlu s TYR 144 Ca 0.08 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3mlu s TYR 144 Cb -0.12 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.33 3mlu s TYR 144 CO 0.02 -0.21 0.00 -2.30 -1.34 0.00 0.00 175.55 171.72 3mlu n PRO 145 N 3.80 0.00 -3.02 4.97 -0.02 -1.26 -0.07 135.00 139.40 3mlu n PRO 145 Ca -0.23 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.07 3mlu n PRO 145 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 3mlu n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlu n GLY 146 N 3.43 3.59 2.98 -1.23 0.00 -1.26 -4.61 105.19 108.08 3mlu n GLY 146 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 3mlu n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlu s ALA 147 N -2.77 0.26 -0.26 4.61 0.00 -1.26 -4.91 121.76 117.43 3mlu s ALA 147 Ca 0.39 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 3mlu s ALA 147 Cb 0.36 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.62 3mlu s ALA 147 CO -0.07 -0.05 0.63 0.14 0.00 0.00 0.00 175.76 176.41 3mlu s VAL 148 N -0.94 -0.16 0.07 0.00 -7.23 -1.26 -4.62 120.40 106.26 3mlu s VAL 148 Ca -0.08 0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 59.86 3mlu s VAL 148 Cb -0.07 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 3mlu s VAL 148 CO -0.00 0.01 0.75 0.42 -0.31 0.00 0.00 175.10 175.97 3mlu s THR 149 N 1.81 4.65 0.17 5.32 -4.23 -0.93 -4.92 115.64 117.51 3mlu s THR 149 Ca -0.09 1.61 0.10 0.00 -1.18 0.00 0.00 61.69 62.13 3mlu s THR 149 Cb -0.07 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 3mlu s THR 149 CO -0.19 0.41 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.42 3mlu s VAL 150 N -0.37 2.66 -0.02 2.29 1.01 -1.26 -0.80 120.40 123.91 3mlu s VAL 150 Ca 0.37 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 3mlu s VAL 150 Cb -0.21 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 33.95 3mlu s VAL 150 CO 0.23 -0.05 0.51 0.00 0.00 0.00 0.00 175.10 175.80 3mlu s ALA 151 N -1.50 -1.31 -0.11 5.51 0.00 -0.60 -4.96 121.76 118.79 3mlu s ALA 151 Ca 0.20 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.00 3mlu s ALA 151 Cb -0.09 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3mlu s ALA 151 CO 0.11 -0.35 -0.19 -1.58 0.00 0.00 0.00 175.76 173.75 3mlu s TRP 152 N -1.47 2.23 -0.22 0.00 0.52 -1.26 0.10 118.94 118.85 3mlu s TRP 152 Ca -0.11 -1.02 -0.14 0.00 0.02 0.00 0.00 56.10 54.86 3mlu s TRP 152 Cb -0.02 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 3mlu s TRP 152 CO 0.06 -0.48 0.30 0.15 0.02 0.00 0.00 176.95 177.00 3mlu s LYS 153 N 0.76 4.13 -0.67 4.98 1.02 -0.59 0.14 119.74 129.51 3mlu s LYS 153 Ca -0.10 0.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 3mlu s LYS 153 Cb -0.16 -3.54 0.12 0.00 -0.52 0.00 0.00 37.83 33.73 3mlu s LYS 153 CO 0.01 0.01 0.78 0.00 -0.92 0.00 0.00 175.35 175.23 3mlu s ALA 154 N 1.19 3.47 0.00 5.17 0.00 0.17 -1.54 121.76 130.22 3mlu s ALA 154 Ca 0.14 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.69 3mlu s ALA 154 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3mlu s ALA 154 CO 0.06 -2.44 0.00 -0.25 0.00 0.00 0.00 175.76 173.13 3mlu n ASP 155 N 6.14 0.00 -0.09 0.00 8.00 0.06 -3.45 116.55 127.21 3mlu n ASP 155 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 3mlu n ASP 155 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.42 3mlu n ASP 155 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mlu n SER 156 N 11.09 1.34 -4.81 -2.24 7.64 -1.26 -4.78 113.62 120.60 3mlu n SER 156 Ca 0.00 -0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.51 3mlu n SER 156 Cb 0.00 0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 3mlu n SER 156 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mlu s SER 157 N -5.47 6.15 0.77 6.43 1.04 -1.22 -4.86 113.70 116.54 3mlu s SER 157 Ca -0.16 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 57.92 3mlu s SER 157 Cb 0.06 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.71 3mlu s SER 157 CO 0.63 -0.91 1.16 -2.84 0.98 0.00 0.00 173.24 172.26 3mlu s PRO 158 N -3.83 1.97 -0.05 4.02 0.02 -1.26 -0.66 135.00 135.22 3mlu s PRO 158 Ca 0.63 1.58 0.03 0.00 0.02 0.00 0.00 61.00 63.26 3mlu s PRO 158 Cb -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3mlu s PRO 158 CO 0.30 -1.92 -0.13 0.54 -0.33 0.00 0.00 177.00 175.46 3mlu s VAL 159 N -2.32 1.15 -0.08 3.83 0.11 0.12 -4.59 120.40 118.62 3mlu s VAL 159 Ca 0.70 -0.54 0.12 0.00 -2.93 0.00 0.00 61.98 59.33 3mlu s VAL 159 Cb -0.25 -1.02 0.19 0.00 -1.53 0.00 0.00 36.38 33.77 3mlu s VAL 159 CO 0.49 0.35 1.08 0.29 -3.33 0.00 0.00 175.10 173.98 3mlu n LYS 160 N 3.43 1.13 -3.98 1.54 4.76 -1.26 -4.25 118.16 119.52 3mlu n LYS 160 Ca -0.20 -2.05 -0.35 0.00 -2.87 0.00 0.00 58.31 52.84 3mlu n LYS 160 Cb 0.53 -1.19 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 3mlu n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mlu s ALA 161 N -1.96 3.45 -0.21 7.82 0.00 -1.26 -4.46 121.76 125.14 3mlu s ALA 161 Ca 0.21 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3mlu s ALA 161 Cb 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3mlu s ALA 161 CO 0.02 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3mlu n GLY 162 N 3.42 0.40 3.71 0.00 0.00 -1.26 -4.68 105.19 106.77 3mlu n GLY 162 Ca -0.17 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 3mlu n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlu s VAL 163 N -2.10 5.30 -0.07 1.61 1.01 -1.26 -1.40 120.40 123.49 3mlu s VAL 163 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3mlu s VAL 163 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.99 3mlu s VAL 163 CO 0.00 0.44 -0.01 -0.70 0.00 0.00 0.00 175.10 174.83 3mlu s GLU 164 N 0.40 0.67 0.27 2.72 2.56 -0.88 -5.00 118.70 119.44 3mlu s GLU 164 Ca 0.07 0.07 0.11 0.00 0.00 0.00 0.00 54.97 55.22 3mlu s GLU 164 Cb -0.11 -0.98 -0.05 0.00 2.00 0.00 0.00 34.13 34.99 3mlu s GLU 164 CO -0.01 -0.28 -0.16 0.99 -0.56 0.00 0.00 175.26 175.24 3mlu s THR 165 N 1.84 2.67 -0.11 -1.70 2.01 -1.26 -1.36 115.64 117.72 3mlu s THR 165 Ca 0.03 -2.26 -0.05 0.00 0.31 0.00 0.00 61.69 59.72 3mlu s THR 165 Cb -0.12 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3mlu s THR 165 CO -0.05 -0.36 0.06 0.42 -0.69 0.00 0.00 174.62 174.00 3mlu s THR 166 N -2.38 4.84 0.21 -0.82 -4.23 -0.05 -4.99 115.64 108.21 3mlu s THR 166 Ca 0.29 -0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.46 3mlu s THR 166 Cb -0.06 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.60 3mlu s THR 166 CO 0.15 0.59 1.40 0.28 -0.54 0.00 0.00 174.62 176.50 3mlu s THR 167 N -0.76 2.93 0.92 3.99 -1.32 -1.26 -4.37 115.64 115.78 3mlu s THR 167 Ca 0.12 0.75 -0.14 0.00 -1.21 0.00 0.00 61.69 61.22 3mlu s THR 167 Cb -0.12 -3.48 -0.00 0.00 -1.51 0.00 0.00 72.50 67.39 3mlu s THR 167 CO 0.03 0.10 0.25 -2.65 -2.21 0.00 0.00 174.62 170.14 3mlu n PRO 168 N 2.77 -0.15 -3.79 7.08 -0.02 -1.26 -4.90 135.00 134.73 3mlu n PRO 168 Ca 0.08 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 3mlu n PRO 168 Cb 0.41 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 3mlu n PRO 168 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mlu s SER 169 N -1.78 -0.24 1.08 2.55 0.15 0.84 -4.92 113.70 111.38 3mlu s SER 169 Ca 0.56 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.48 3mlu s SER 169 Cb -0.23 0.49 0.23 0.00 -1.71 0.00 0.00 66.02 64.80 3mlu s SER 169 CO 0.68 -0.14 1.15 -0.54 1.20 0.00 0.00 173.24 175.59 3mlu s LYS 170 N -0.10 -0.26 0.35 5.44 1.02 -1.26 -0.04 119.74 124.88 3mlu s LYS 170 Ca -0.02 -0.00 0.03 0.00 0.02 0.00 0.00 55.97 56.00 3mlu s LYS 170 Cb -0.03 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 3mlu s LYS 170 CO 0.01 -3.09 0.09 -0.65 -0.92 0.00 0.00 175.35 170.79 3mlu s GLN 171 N -5.42 1.75 0.00 1.68 -0.21 -1.07 -4.74 119.66 111.64 3mlu s GLN 171 Ca 0.70 -2.01 0.07 0.00 0.02 0.00 0.00 55.36 54.14 3mlu s GLN 171 Cb -0.11 -0.70 0.44 0.00 1.00 0.00 0.00 33.01 33.65 3mlu s GLN 171 CO 0.55 -0.32 1.05 0.43 -2.12 0.00 0.00 175.29 174.88 3mlu n SER 172 N -0.92 0.00 -0.07 5.90 7.64 -1.26 -2.09 113.62 122.81 3mlu n SER 172 Ca -0.04 -1.21 -0.08 0.00 1.01 0.00 0.00 58.87 58.55 3mlu n SER 172 Cb 0.66 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.78 3mlu n SER 172 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3mlu n ASN 173 N -0.66 2.41 0.00 6.43 0.23 -1.26 -5.05 115.26 117.36 3mlu n ASN 173 Ca 0.06 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 3mlu n ASN 173 Cb 0.03 0.27 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3mlu n ASN 173 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mlu n ASN 174 N -2.70 0.00 -2.48 0.53 3.02 -0.89 -5.11 115.26 107.63 3mlu n ASN 174 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3mlu n ASN 174 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3mlu n ASN 174 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mlu n LYS 175 N -0.94 1.54 -4.45 3.52 5.02 -1.26 -4.76 118.16 116.82 3mlu n LYS 175 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3mlu n LYS 175 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3mlu n LYS 175 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mlu s TYR 176 N 0.37 2.10 -0.25 2.13 1.51 -0.95 -2.61 117.35 119.64 3mlu s TYR 176 Ca 0.00 -0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 3mlu s TYR 176 Cb 0.00 -1.11 0.07 0.00 -0.11 0.00 0.00 41.96 40.81 3mlu s TYR 176 CO 0.00 0.46 0.65 0.00 -1.11 0.00 0.00 175.55 175.54 3mlu s ALA 177 N -2.81 -1.66 0.21 3.71 0.00 0.94 -0.95 121.76 121.20 3mlu s ALA 177 Ca 0.29 2.01 -0.04 0.00 0.00 0.00 0.00 51.96 54.23 3mlu s ALA 177 Cb 0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3mlu s ALA 177 CO 0.13 -0.33 0.21 0.00 0.00 0.00 0.00 175.76 175.77 3mlu s ALA 178 N 0.83 0.85 0.13 0.00 0.00 -0.91 -0.11 121.76 122.55 3mlu s ALA 178 Ca -0.04 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.46 3mlu s ALA 178 Cb -0.05 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 3mlu s ALA 178 CO -0.07 -0.65 -0.12 -1.54 0.00 0.00 0.00 175.76 173.39 3mlu s SER 179 N -3.13 1.82 0.04 0.00 1.04 -1.26 -2.54 113.70 109.67 3mlu s SER 179 Ca 0.35 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3mlu s SER 179 Cb 0.05 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 3mlu s SER 179 CO 0.11 -0.24 -0.04 -0.55 0.98 0.00 0.00 173.24 173.50 3mlu s SER 180 N -2.75 0.48 -0.01 7.02 0.15 -0.49 -0.87 113.70 117.24 3mlu s SER 180 Ca 0.11 -0.67 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 3mlu s SER 180 Cb -0.02 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 3mlu s SER 180 CO 0.02 -0.37 0.04 -0.31 1.20 0.00 0.00 173.24 173.82 3mlu s TYR 181 N -2.21 0.04 -0.15 3.44 1.51 -0.47 -0.97 117.35 118.55 3mlu s TYR 181 Ca -0.07 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3mlu s TYR 181 Cb -0.04 -0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.77 3mlu s TYR 181 CO -0.03 -0.11 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.92 3mlu s LEU 182 N -0.58 2.06 0.11 -1.29 2.96 -0.85 -2.07 118.68 119.02 3mlu s LEU 182 Ca -0.07 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 3mlu s LEU 182 Cb -0.04 -1.41 -0.07 0.00 0.50 0.00 0.00 46.19 45.17 3mlu s LEU 182 CO -0.00 0.05 0.51 -0.55 -1.32 0.00 0.00 176.35 175.05 3mlu s SER 183 N 0.95 6.84 0.29 3.68 0.15 -0.49 -1.31 113.70 123.81 3mlu s SER 183 Ca -0.04 1.06 -0.10 0.00 0.70 0.00 0.00 55.95 57.56 3mlu s SER 183 Cb -0.15 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3mlu s SER 183 CO -0.04 0.17 0.51 -0.76 1.20 0.00 0.00 173.24 174.31 3mlu s LEU 184 N -1.69 0.48 0.43 3.45 1.02 -1.07 -4.73 118.68 116.56 3mlu s LEU 184 Ca 0.34 -1.11 -0.03 0.00 0.02 0.00 0.00 54.13 53.35 3mlu s LEU 184 Cb -0.16 1.79 -0.03 0.00 0.02 0.00 0.00 46.19 47.81 3mlu s LEU 184 CO 0.18 -1.24 0.69 0.42 0.02 0.00 0.00 176.35 176.42 3mlu s THR 185 N -3.57 4.88 0.28 5.49 -4.23 -1.26 -3.23 115.64 114.00 3mlu s THR 185 Ca 0.24 -0.13 0.36 0.00 -1.18 0.00 0.00 61.69 60.99 3mlu s THR 185 Cb -0.01 -3.82 0.37 0.00 1.34 0.00 0.00 72.50 70.38 3mlu s THR 185 CO 0.12 -0.68 2.10 -0.65 -0.54 0.00 0.00 174.62 174.97 3mlu h PRO 186 N 0.44 0.00 0.00 3.99 0.11 -1.83 -2.43 132.00 132.28 3mlu h PRO 186 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mlu h PRO 186 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mlu h PRO 186 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 3mlu n GLU 187 N -2.85 0.00 -0.26 1.05 4.71 -1.26 -2.15 120.64 119.89 3mlu n GLU 187 Ca -0.02 0.28 -0.02 0.00 -0.01 0.00 0.00 57.16 57.40 3mlu n GLU 187 Cb 0.12 -1.17 0.01 0.00 -1.01 0.00 0.00 31.44 29.40 3mlu n GLU 187 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3mlu n GLN 188 N -1.35 -0.18 0.08 3.49 6.02 -1.06 -0.33 117.38 124.04 3mlu n GLN 188 Ca 0.00 1.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.92 3mlu n GLN 188 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 3mlu n GLN 188 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 3mlu h TRP 189 N 0.00 -0.73 -0.94 1.08 2.91 -1.56 -2.76 115.95 113.96 3mlu h TRP 189 Ca 0.21 0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.50 3mlu h TRP 189 Cb 0.37 0.30 -0.17 0.00 -0.51 0.00 0.00 29.16 29.16 3mlu h TRP 189 CO -0.60 -0.30 0.09 -0.22 -1.03 0.00 0.00 178.44 176.39 3mlu h LYS 190 N -0.40 0.06 0.01 2.65 3.64 -0.15 -3.11 116.57 119.26 3mlu h LYS 190 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3mlu h LYS 190 Cb 0.38 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3mlu h LYS 190 CO -0.11 0.04 -0.06 0.77 -2.27 0.00 0.00 179.45 177.82 3mlu h SER 191 N 0.06 0.04 -3.41 4.20 0.02 -1.28 -3.46 113.55 109.72 3mlu h SER 191 Ca 0.58 -0.90 -0.57 0.00 -0.84 0.00 0.00 61.79 60.06 3mlu h SER 191 Cb 1.21 -0.01 0.17 0.00 0.14 0.00 0.00 62.40 63.90 3mlu h SER 191 CO -0.83 0.94 -0.06 1.41 -1.14 0.00 0.00 176.83 177.15 3mlu n HIS 192 N -4.61 0.27 0.09 3.45 8.25 -1.05 -4.92 115.22 116.68 3mlu n HIS 192 Ca -0.10 0.43 -0.15 0.00 -0.26 0.00 0.00 57.72 57.63 3mlu n HIS 192 Cb 0.46 -2.06 -0.09 0.00 1.12 0.00 0.00 29.99 29.42 3mlu n HIS 192 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3mlu h LYS 193 N 0.27 0.39 -2.87 -0.41 1.57 -1.89 -3.44 116.57 110.19 3mlu h LYS 193 Ca -0.47 -0.50 0.08 0.00 -1.87 0.00 0.00 60.65 57.88 3mlu h LYS 193 Cb 1.37 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.78 3mlu h LYS 193 CO 0.49 1.18 0.28 -1.54 -0.57 0.00 0.00 179.45 179.29 3mlu s SER 194 N -7.16 -0.30 0.11 0.86 1.04 -1.26 -4.55 113.70 102.45 3mlu s SER 194 Ca -0.06 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3mlu s SER 194 Cb 0.08 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 3mlu s SER 194 CO 0.88 -1.20 -0.12 -0.31 0.98 0.00 0.00 173.24 173.48 3mlu s TYR 195 N -3.76 1.19 0.01 5.02 1.51 -0.43 -0.76 117.35 120.14 3mlu s TYR 195 Ca 0.10 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3mlu s TYR 195 Cb -0.04 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 3mlu s TYR 195 CO 0.03 0.06 0.01 -1.12 -1.11 0.00 0.00 175.55 173.42 3mlu s SER 196 N -2.44 0.16 -0.21 2.29 0.01 -0.59 -1.14 113.70 111.78 3mlu s SER 196 Ca 0.07 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 3mlu s SER 196 Cb -0.04 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 3mlu s SER 196 CO 0.01 -0.27 0.06 0.00 0.41 0.00 0.00 173.24 173.45 3mlu s GLN 198 N 0.94 2.44 0.17 0.00 2.00 0.29 -0.89 119.66 124.61 3mlu s GLN 198 Ca 0.04 -2.82 -0.29 0.00 -2.00 0.00 0.00 55.36 50.28 3mlu s GLN 198 Cb -0.14 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.03 3mlu s GLN 198 CO 0.03 -1.18 0.92 0.08 -0.50 0.00 0.00 175.29 174.63 3mlu s VAL 199 N -0.58 4.29 -0.25 1.34 1.01 -0.58 -1.56 120.40 124.08 3mlu s VAL 199 Ca 0.20 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.19 3mlu s VAL 199 Cb -0.18 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.98 3mlu s VAL 199 CO -0.06 0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.60 3mlu s THR 200 N -0.69 1.08 -0.13 3.92 2.01 0.02 0.99 115.64 122.85 3mlu s THR 200 Ca 0.42 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3mlu s THR 200 Cb -0.24 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.72 3mlu s THR 200 CO 0.30 -0.31 -0.18 -2.28 -0.69 0.00 0.00 174.62 171.46 3mlu s HIS 201 N 1.57 2.32 -0.91 4.92 5.04 0.09 -2.19 115.29 126.13 3mlu s HIS 201 Ca 0.01 -1.18 -0.08 0.00 -1.54 0.00 0.00 55.06 52.27 3mlu s HIS 201 Cb -0.18 -1.63 -0.00 0.00 0.04 0.00 0.00 32.58 30.81 3mlu s HIS 201 CO -0.12 -0.58 0.69 0.39 -2.34 0.00 0.00 174.74 172.79 3mlu n GLU 202 N 4.27 -1.33 -1.11 2.88 -0.58 -1.26 -2.62 120.64 120.89 3mlu n GLU 202 Ca -0.19 0.85 -0.04 0.00 -0.42 0.00 0.00 57.16 57.36 3mlu n GLU 202 Cb 0.51 -3.85 -0.02 0.00 -0.57 0.00 0.00 31.44 27.52 3mlu n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mlu n GLY 203 N -1.71 0.52 3.08 0.62 0.00 -1.26 -4.98 105.19 101.46 3mlu n GLY 203 Ca -0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3mlu n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mlu s SER 204 N -2.24 0.67 0.08 1.61 0.01 -1.08 -5.18 113.70 107.58 3mlu s SER 204 Ca 0.00 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.54 3mlu s SER 204 Cb 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 3mlu s SER 204 CO 0.00 -0.42 -0.21 0.42 0.41 0.00 0.00 173.24 173.44 3mlu s THR 205 N -2.79 1.69 -0.13 1.44 -4.23 -1.26 -0.73 115.64 109.62 3mlu s THR 205 Ca -0.00 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 3mlu s THR 205 Cb -0.00 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.39 3mlu s THR 205 CO -0.05 0.03 0.27 -0.69 -0.54 0.00 0.00 174.62 173.64 3mlu s VAL 206 N -1.03 -0.38 0.14 2.29 1.01 0.28 -4.98 120.40 117.73 3mlu s VAL 206 Ca 0.07 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3mlu s VAL 206 Cb -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3mlu s VAL 206 CO 0.03 0.11 -0.10 -1.83 0.00 0.00 0.00 175.10 173.31 3mlu s GLU 207 N 2.29 2.06 0.33 2.72 -1.05 -1.26 -1.53 118.70 122.26 3mlu s GLU 207 Ca -0.00 -1.16 0.09 0.00 -0.15 0.00 0.00 54.97 53.75 3mlu s GLU 207 Cb -0.12 -2.21 -0.06 0.00 -0.44 0.00 0.00 34.13 31.30 3mlu s GLU 207 CO -0.09 0.47 -0.10 0.15 0.95 0.00 0.00 175.26 176.64 3mlu s LYS 208 N -2.51 1.77 0.03 -4.83 -0.14 -0.07 -4.97 119.74 109.02 3mlu s LYS 208 Ca 0.23 -1.90 -0.06 0.00 -1.36 0.00 0.00 55.97 52.87 3mlu s LYS 208 Cb -0.10 -1.65 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 3mlu s LYS 208 CO 0.14 0.15 0.11 0.99 -0.76 0.00 0.00 175.35 175.98 3mlu s THR 209 N -2.65 0.12 0.03 2.17 2.01 -1.26 -1.48 115.64 114.58 3mlu s THR 209 Ca 0.32 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 3mlu s THR 209 Cb 0.02 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.73 3mlu s THR 209 CO 0.16 -0.55 0.17 0.68 -0.69 0.00 0.00 174.62 174.39 3mlu s VAL 210 N -2.37 0.11 0.06 3.82 -7.23 -0.29 -5.00 120.40 109.49 3mlu s VAL 210 Ca -0.07 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3mlu s VAL 210 Cb -0.02 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 3mlu s VAL 210 CO -0.03 -0.48 -0.05 0.00 -0.31 0.00 0.00 175.10 174.22 3mlu s ALA 211 N -2.29 0.61 0.21 1.32 0.00 -1.26 -1.31 121.76 119.04 3mlu s ALA 211 Ca -0.07 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 3mlu s ALA 211 Cb -0.03 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 3mlu s ALA 211 CO -0.03 -0.22 1.50 -2.30 0.00 0.00 0.00 175.76 174.72 3mlu n PRO 212 N 0.59 2.15 0.00 0.00 -0.02 -1.26 -5.06 135.00 131.40 3mlu n PRO 212 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3mlu n PRO 212 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3mlu n PRO 212 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73