#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwc s THR 3 N 0.00 4.31 -0.26 1.96 -1.32 -1.26 -4.96 115.64 114.11 3mwc s THR 3 Ca 0.00 1.71 0.12 0.00 -1.21 0.00 0.00 61.69 62.31 3mwc s THR 3 Cb 0.00 -4.06 0.27 0.00 -1.51 0.00 0.00 72.50 67.21 3mwc s THR 3 CO 0.00 0.31 1.19 -0.62 -2.21 0.00 0.00 174.62 173.29 3mwc n GLU 4 N 1.00 2.42 -4.23 7.08 1.02 -1.26 -4.92 120.64 121.74 3mwc n GLU 4 Ca -0.02 -2.26 -0.32 0.00 -0.02 0.00 0.00 57.16 54.55 3mwc n GLU 4 Cb 0.49 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 3mwc n GLU 4 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3mwc s SER 5 N -1.81 5.12 -0.04 1.62 1.04 -1.25 -3.67 113.70 114.70 3mwc s SER 5 Ca 0.24 -0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 3mwc s SER 5 Cb 0.19 -1.31 0.08 0.00 0.10 0.00 0.00 66.02 65.08 3mwc s SER 5 CO 0.06 0.25 0.72 0.00 0.98 0.00 0.00 173.24 175.24 3mwc s ALA 6 N -1.16 -1.78 -0.17 5.32 0.00 -1.20 -5.04 121.76 117.73 3mwc s ALA 6 Ca 0.22 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.36 3mwc s ALA 6 Cb -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3mwc s ALA 6 CO 0.13 -0.40 0.13 0.50 0.00 0.00 0.00 175.76 176.11 3mwc s ARG 7 N -1.45 3.92 -0.89 0.00 3.52 -1.26 -3.46 118.95 119.32 3mwc s ARG 7 Ca -0.08 -0.20 -0.21 0.00 -0.13 0.00 0.00 55.73 55.11 3mwc s ARG 7 Cb -0.00 -3.33 0.10 0.00 -1.56 0.00 0.00 34.95 30.16 3mwc s ARG 7 CO 0.06 0.46 1.17 0.42 -0.81 0.00 0.00 175.30 176.60 3mwc s ILE 8 N -0.11 4.46 0.10 4.11 -1.09 0.06 -4.24 121.20 124.49 3mwc s ILE 8 Ca 0.10 -1.13 0.02 0.00 -2.23 0.00 0.00 60.65 57.42 3mwc s ILE 8 Cb -0.11 -4.82 -0.24 0.00 -1.58 0.00 0.00 42.46 35.70 3mwc s ILE 8 CO 0.00 -1.60 1.22 0.44 -1.23 0.00 0.00 174.94 173.77 3mwc h ASP 9 N 9.20 0.17 -4.88 3.58 3.32 -1.17 0.42 116.42 127.07 3mwc h ASP 9 Ca 0.07 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3mwc h ASP 9 Cb 1.03 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 40.32 3mwc h ASP 9 CO 1.19 1.14 -0.10 -0.83 -1.72 0.00 0.00 179.24 178.92 3mwc s GLY 10 N -4.69 -0.32 -0.01 2.75 0.00 -1.04 -4.63 107.32 99.39 3mwc s GLY 10 Ca -0.01 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.50 3mwc s GLY 10 CO 0.85 0.51 -0.06 0.14 0.00 0.00 0.00 173.10 174.54 3mwc s VAL 11 N -1.11 0.46 0.06 1.40 1.01 -0.68 -0.17 120.40 121.37 3mwc s VAL 11 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3mwc s VAL 11 Cb -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3mwc s VAL 11 CO 0.06 0.14 -0.04 -0.44 0.00 0.00 0.00 175.10 174.81 3mwc s SER 12 N -0.03 0.71 -0.08 3.32 0.01 0.01 -1.36 113.70 116.28 3mwc s SER 12 Ca 0.01 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.32 3mwc s SER 12 Cb -0.03 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.37 3mwc s SER 12 CO -0.00 -0.53 -0.10 -0.22 0.41 0.00 0.00 173.24 172.80 3mwc s LEU 13 N -2.84 1.46 -0.02 2.44 2.96 0.25 -1.14 118.68 121.80 3mwc s LEU 13 Ca 0.07 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3mwc s LEU 13 Cb 0.06 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 3mwc s LEU 13 CO -0.07 -0.03 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.57 3mwc s TYR 14 N 1.03 2.95 -0.29 5.38 2.02 0.10 -0.03 117.35 128.51 3mwc s TYR 14 Ca -0.08 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 3mwc s TYR 14 Cb -0.15 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3mwc s TYR 14 CO -0.01 0.39 0.19 -2.00 -1.57 0.00 0.00 175.55 172.55 3mwc s GLU 15 N -1.29 3.78 0.05 -0.62 2.12 -0.05 -0.62 118.70 122.08 3mwc s GLU 15 Ca 0.16 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3mwc s GLU 15 Cb -0.11 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 3mwc s GLU 15 CO 0.06 -0.26 0.16 0.96 -0.54 0.00 0.00 175.26 175.65 3mwc s ILE 16 N 1.73 5.10 -0.10 -3.70 -4.36 0.24 -1.61 121.20 118.49 3mwc s ILE 16 Ca 0.07 -0.47 -0.02 0.00 -0.26 0.00 0.00 60.65 59.96 3mwc s ILE 16 Cb -0.16 -3.46 0.04 0.00 1.25 0.00 0.00 42.46 40.12 3mwc s ILE 16 CO 0.10 0.17 0.02 -0.69 0.24 0.00 0.00 174.94 174.78 3mwc s VAL 17 N -1.43 0.33 -0.18 8.37 1.01 0.47 -1.36 120.40 127.61 3mwc s VAL 17 Ca 0.32 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3mwc s VAL 17 Cb -0.13 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.70 3mwc s VAL 17 CO 0.24 0.13 -0.12 -0.63 0.00 0.00 0.00 175.10 174.72 3mwc s ILE 18 N 1.98 1.61 0.14 2.22 1.01 0.46 -4.77 121.20 123.85 3mwc s ILE 18 Ca 0.04 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 3mwc s ILE 18 Cb -0.13 -1.61 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 3mwc s ILE 18 CO -0.06 0.31 1.78 -2.84 0.00 0.00 0.00 174.94 174.13 3mwc s PRO 19 N 1.44 4.14 0.03 2.79 0.02 -1.26 -0.05 135.00 142.11 3mwc s PRO 19 Ca 0.02 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 3mwc s PRO 19 Cb -0.15 -3.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.86 3mwc s PRO 19 CO -0.09 -0.81 1.03 -1.64 -0.33 0.00 0.00 177.00 175.16 3mwc s MET 20 N 2.36 4.55 0.28 5.54 -1.94 0.32 -4.70 119.30 125.70 3mwc s MET 20 Ca 0.79 1.51 0.09 0.00 -1.71 0.00 0.00 55.69 56.37 3mwc s MET 20 Cb -0.46 -3.42 0.37 0.00 2.01 0.00 0.00 34.83 33.33 3mwc s MET 20 CO 0.35 -0.06 1.62 -0.22 -0.01 0.00 0.00 175.02 176.70 3mwc h LYS 21 N 6.63 0.06 -3.21 2.03 3.64 0.42 -3.37 116.57 122.76 3mwc h LYS 21 Ca -0.41 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.30 3mwc h LYS 21 Cb 1.22 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.63 3mwc h LYS 21 CO 0.76 0.63 -0.61 0.42 -2.27 0.00 0.00 179.45 178.38 3mwc s ILE 22 N -3.71 2.70 0.06 2.00 1.01 -1.22 -5.04 121.20 117.00 3mwc s ILE 22 Ca -0.02 -3.81 -0.34 0.00 0.00 0.00 0.00 60.65 56.48 3mwc s ILE 22 Cb 0.13 -2.82 -0.13 0.00 0.01 0.00 0.00 42.46 39.65 3mwc s ILE 22 CO 0.77 -0.91 1.69 -2.65 0.00 0.00 0.00 174.94 173.83 3mwc n PRO 23 N 2.51 2.14 -4.36 2.79 -0.02 -1.26 -4.95 135.00 131.86 3mwc n PRO 23 Ca 0.13 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 62.15 3mwc n PRO 23 Cb 0.34 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 3mwc n PRO 23 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3mwc s PHE 24 N 2.12 2.53 -0.85 6.00 -0.71 -1.25 -4.98 117.98 120.85 3mwc s PHE 24 Ca 0.84 -0.35 -0.25 0.00 -1.04 0.00 0.00 56.93 56.14 3mwc s PHE 24 Cb -0.69 -1.28 -0.01 0.00 -1.21 0.00 0.00 43.02 39.82 3mwc s PHE 24 CO 0.43 0.58 1.76 1.14 -1.34 0.00 0.00 175.22 177.79 3mwc s GLN 25 N -3.66 2.85 0.99 1.99 -2.07 -1.26 -4.08 119.66 114.43 3mwc s GLN 25 Ca 0.33 -0.26 -0.17 0.00 -1.82 0.00 0.00 55.36 53.44 3mwc s GLN 25 Cb -0.03 -4.89 0.23 0.00 -1.09 0.00 0.00 33.01 27.23 3mwc s GLN 25 CO 0.18 -2.87 1.25 0.44 -1.32 0.00 0.00 175.29 172.98 3mwc n ILE 26 N 7.38 0.00 1.34 3.63 -5.35 -0.95 -4.96 119.36 120.46 3mwc n ILE 26 Ca 0.31 -0.87 0.14 0.00 -0.27 0.00 0.00 62.75 62.06 3mwc n ILE 26 Cb 0.49 -1.47 0.72 0.00 -1.74 0.00 0.00 39.64 37.64 3mwc n ILE 26 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3mwc n SER 27 N -4.01 0.00 -1.21 7.28 2.88 -1.26 -3.40 113.62 113.91 3mwc n SER 27 Ca 0.16 -0.10 0.05 0.00 -1.33 0.00 0.00 58.87 57.64 3mwc n SER 27 Cb 0.56 -0.29 0.08 0.00 -0.75 0.00 0.00 64.21 63.81 3mwc n SER 27 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mwc n SER 28 N -1.29 1.20 0.00 -3.46 3.41 -1.26 -5.12 113.62 107.09 3mwc n SER 28 Ca 0.13 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3mwc n SER 28 Cb 0.23 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3mwc n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mwc n GLY 29 N 0.00 0.24 3.38 5.00 0.00 -1.22 -5.05 105.19 107.55 3mwc n GLY 29 Ca 0.10 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 3mwc n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mwc n THR 30 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -2.24 114.28 112.35 3mwc n THR 30 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 3mwc n THR 30 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 3mwc n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mwc h TYR 32 N 0.00 0.00 -3.62 0.00 5.03 -1.93 -3.32 116.97 113.12 3mwc h TYR 32 Ca 0.00 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.08 3mwc h TYR 32 Cb 0.00 0.00 -0.28 0.00 1.55 0.00 0.00 36.73 38.00 3mwc h TYR 32 CO 0.00 0.15 -0.68 0.95 -1.32 0.00 0.00 178.16 177.26 3mwc s THR 33 N -3.39 -0.01 -0.28 1.81 -4.23 -1.26 0.12 115.64 108.40 3mwc s THR 33 Ca 0.03 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.30 3mwc s THR 33 Cb 0.08 -0.07 0.01 0.00 1.34 0.00 0.00 72.50 73.86 3mwc s THR 33 CO 0.65 0.01 0.93 -0.60 -0.54 0.00 0.00 174.62 175.07 3mwc s ARG 34 N 0.13 4.09 -0.19 3.99 6.06 0.93 -4.89 118.95 129.06 3mwc s ARG 34 Ca -0.01 0.95 0.01 0.00 -2.50 0.00 0.00 55.73 54.18 3mwc s ARG 34 Cb -0.02 -3.70 0.02 0.00 0.06 0.00 0.00 34.95 31.32 3mwc s ARG 34 CO -0.00 -0.71 -0.17 0.50 -2.50 0.00 0.00 175.30 172.41 3mwc s ARG 35 N 3.20 2.97 0.22 5.12 3.52 -1.26 -0.41 118.95 132.32 3mwc s ARG 35 Ca 0.39 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 3mwc s ARG 35 Cb -0.14 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 3mwc s ARG 35 CO 0.11 -0.24 0.22 -1.12 -0.81 0.00 0.00 175.30 173.47 3mwc s SER 36 N 1.30 0.20 0.00 -2.12 0.01 -0.47 -4.81 113.70 107.81 3mwc s SER 36 Ca 0.04 -1.31 0.06 0.00 1.31 0.00 0.00 55.95 56.05 3mwc s SER 36 Cb -0.14 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 3mwc s SER 36 CO -0.11 -0.93 -0.17 -0.76 0.41 0.00 0.00 173.24 171.67 3mwc s LEU 37 N -3.14 2.60 -0.14 2.44 1.43 -0.42 -0.59 118.68 120.85 3mwc s LEU 37 Ca 0.35 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3mwc s LEU 37 Cb 0.05 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.77 3mwc s LEU 37 CO 0.12 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.16 3mwc s VAL 38 N -0.82 1.61 -0.19 -1.59 1.01 0.21 -0.97 120.40 119.66 3mwc s VAL 38 Ca 0.13 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3mwc s VAL 38 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3mwc s VAL 38 CO 0.03 0.46 0.41 -0.69 0.00 0.00 0.00 175.10 175.31 3mwc s VAL 39 N 1.35 5.19 -0.19 2.92 1.01 0.18 -0.72 120.40 130.13 3mwc s VAL 39 Ca 0.02 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 3mwc s VAL 39 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3mwc s VAL 39 CO -0.09 0.26 -0.04 -0.70 0.00 0.00 0.00 175.10 174.53 3mwc s GLU 40 N 1.24 3.48 -0.11 2.72 2.12 -0.29 -1.61 118.70 126.25 3mwc s GLU 40 Ca 0.20 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3mwc s GLU 40 Cb -0.15 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 3mwc s GLU 40 CO 0.08 -0.03 -0.14 0.42 -0.54 0.00 0.00 175.26 175.06 3mwc s ILE 41 N 1.06 3.03 -0.15 -3.70 1.01 -0.39 -0.81 121.20 121.25 3mwc s ILE 41 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3mwc s ILE 41 Cb -0.15 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3mwc s ILE 41 CO 0.00 0.54 -0.15 -0.60 0.00 0.00 0.00 174.94 174.74 3mwc s ARG 42 N 0.06 3.24 -0.22 2.79 3.52 0.76 -1.03 118.95 128.08 3mwc s ARG 42 Ca -0.05 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3mwc s ARG 42 Cb -0.15 -2.63 0.02 0.00 -1.56 0.00 0.00 34.95 30.63 3mwc s ARG 42 CO 0.04 0.04 -0.12 -2.00 -0.81 0.00 0.00 175.30 172.46 3mwc s GLU 43 N 0.77 2.92 4.73 5.12 2.12 -0.56 -0.59 118.70 133.20 3mwc s GLU 43 Ca -0.06 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.37 3mwc s GLU 43 Cb -0.15 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.41 3mwc s GLU 43 CO 0.01 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3mwc n GLY 44 N 4.65 1.91 0.80 -1.50 0.00 -1.26 -0.28 105.19 109.52 3mwc n GLY 44 Ca -0.18 0.41 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3mwc n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mwc n ASP 45 N 9.38 2.75 -4.88 1.61 8.00 -1.26 -4.99 116.55 127.16 3mwc n ASP 45 Ca 0.00 -1.82 -0.33 0.00 0.71 0.00 0.00 54.79 53.35 3mwc n ASP 45 Cb 0.00 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 3mwc n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mwc s LEU 46 N -1.40 4.29 -0.04 0.64 1.43 0.62 -5.10 118.68 119.12 3mwc s LEU 46 Ca 0.25 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 3mwc s LEU 46 Cb 0.16 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.20 3mwc s LEU 46 CO 0.24 0.09 -0.07 -0.36 0.23 0.00 0.00 176.35 176.48 3mwc s PHE 47 N -1.55 0.91 -0.04 0.29 0.08 -1.26 -1.50 117.98 114.91 3mwc s PHE 47 Ca 0.38 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.16 3mwc s PHE 47 Cb -0.13 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 3mwc s PHE 47 CO 0.21 -0.18 0.01 0.20 -0.10 0.00 0.00 175.22 175.36 3mwc s GLY 48 N 0.68 1.88 -0.00 4.36 0.00 -0.20 -4.64 107.32 109.39 3mwc s GLY 48 Ca -0.10 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.80 3mwc s GLY 48 CO 0.01 -0.69 -0.19 -0.19 0.00 0.00 0.00 173.10 172.04 3mwc s TYR 49 N -1.00 1.66 0.04 1.90 2.02 -1.25 -1.26 117.35 119.45 3mwc s TYR 49 Ca 0.17 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 3mwc s TYR 49 Cb -0.11 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3mwc s TYR 49 CO 0.07 -0.01 -0.01 0.20 -1.57 0.00 0.00 175.55 174.23 3mwc s GLY 50 N -0.59 0.35 -0.10 0.71 0.00 -0.63 -4.02 107.32 103.05 3mwc s GLY 50 Ca 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.88 3mwc s GLY 50 CO -0.00 -1.03 -0.13 1.85 0.00 0.00 0.00 173.10 173.79 3mwc s GLU 51 N -3.02 3.03 -0.18 2.90 2.12 -1.26 -0.65 118.70 121.63 3mwc s GLU 51 Ca -0.01 -0.68 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 3mwc s GLU 51 Cb 0.01 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 3mwc s GLU 51 CO -0.07 0.39 0.03 -1.12 -0.54 0.00 0.00 175.26 173.95 3mwc s SER 52 N -0.10 5.30 -0.54 -1.70 0.01 -0.14 -3.55 113.70 112.98 3mwc s SER 52 Ca -0.02 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.29 3mwc s SER 52 Cb -0.14 -1.90 0.31 0.00 0.21 0.00 0.00 66.02 64.50 3mwc s SER 52 CO 0.04 0.14 0.82 0.00 0.41 0.00 0.00 173.24 174.64 3mwc n ALA 53 N 3.73 3.81 -1.57 1.44 0.00 -1.26 -1.30 120.51 125.37 3mwc n ALA 53 Ca -0.17 -4.35 -0.30 0.00 0.00 0.00 0.00 53.44 48.62 3mwc n ALA 53 Cb 0.52 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 19.25 3mwc n ALA 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mwc s PRO 54 N -2.81 2.02 0.75 0.00 0.04 -1.26 -4.94 135.00 128.81 3mwc s PRO 54 Ca 0.44 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 3mwc s PRO 54 Cb 0.25 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.92 3mwc s PRO 54 CO -0.09 -1.65 1.13 -0.06 0.04 0.00 0.00 177.00 176.36 3mwc s PHE 55 N -3.18 3.11 -0.39 0.56 0.08 -1.26 -4.57 117.98 112.34 3mwc s PHE 55 Ca 0.61 0.86 0.23 0.00 0.12 0.00 0.00 56.93 58.74 3mwc s PHE 55 Cb -0.14 -3.28 0.25 0.00 -0.57 0.00 0.00 43.02 39.28 3mwc s PHE 55 CO 0.54 -1.48 1.47 0.93 -0.10 0.00 0.00 175.22 176.57 3mwc h GLU 56 N -0.84 0.00 -6.34 0.44 5.08 -1.94 -0.52 114.58 110.46 3mwc h GLU 56 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.25 3mwc h GLU 56 Cb 1.29 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 3mwc h GLU 56 CO 0.65 0.00 -0.66 -1.21 -1.00 0.00 0.00 179.01 176.79 3mwc s GLU 57 N -3.25 2.56 -0.09 2.33 0.41 -1.26 -4.57 118.70 114.83 3mwc s GLU 57 Ca 0.05 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 3mwc s GLU 57 Cb 0.06 -2.55 0.10 0.00 -1.78 0.00 0.00 34.13 29.97 3mwc s GLU 57 CO 0.70 0.55 1.47 -0.35 -0.49 0.00 0.00 175.26 177.14 3mwc n PRO 58 N 0.65 1.24 0.00 0.39 -0.04 -1.26 -4.33 135.00 131.65 3mwc n PRO 58 Ca -0.11 -0.54 0.14 0.00 -0.04 0.00 0.00 63.50 62.95 3mwc n PRO 58 Cb 0.52 -1.21 0.61 0.00 -0.04 0.00 0.00 33.50 33.38 3mwc n PRO 58 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3mwc n PHE 59 N 0.53 0.00 -3.90 0.54 1.16 -1.26 -3.48 117.46 111.04 3mwc n PHE 59 Ca 0.11 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.38 3mwc n PHE 59 Cb 0.64 -0.15 -0.15 0.00 -1.61 0.00 0.00 39.48 38.21 3mwc n PHE 59 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 3mwc s TYR 60 N -2.40 2.94 0.00 2.97 5.04 -1.26 -4.76 117.35 119.88 3mwc s TYR 60 Ca 0.31 -2.59 0.00 0.00 -2.44 0.00 0.00 57.07 52.35 3mwc s TYR 60 Cb 0.20 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 40.05 3mwc s TYR 60 CO 0.46 -0.90 0.00 1.28 -1.34 0.00 0.00 175.55 175.05 3mwc n LEU 61 N 4.28 0.50 0.00 6.97 4.77 -1.26 -3.17 117.00 129.09 3mwc n LEU 61 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3mwc n LEU 61 Cb 0.41 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3mwc n LEU 61 CO 0.20 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 3mwc n GLY 62 N -2.00 0.91 3.82 -0.72 0.00 -1.23 -4.98 105.19 100.99 3mwc n GLY 62 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mwc n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mwc s GLU 63 N -0.54 4.07 0.35 1.61 2.02 -1.19 -4.80 118.70 120.23 3mwc s GLU 63 Ca 0.00 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.63 3mwc s GLU 63 Cb 0.00 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 3mwc s GLU 63 CO 0.00 0.63 0.04 0.95 0.02 0.00 0.00 175.26 176.89 3mwc s THR 64 N -1.17 1.49 0.22 3.63 -4.23 -1.26 -4.34 115.64 109.98 3mwc s THR 64 Ca 0.29 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3mwc s THR 64 Cb -0.18 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.00 3mwc s THR 64 CO 0.17 -0.01 1.71 0.25 -0.54 0.00 0.00 174.62 176.20 3mwc h LEU 65 N 2.01 0.08 -0.22 4.79 5.85 -1.33 0.67 115.31 127.16 3mwc h LEU 65 Ca -0.42 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3mwc h LEU 65 Cb 1.24 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3mwc h LEU 65 CO 0.73 0.03 0.01 -0.33 -0.34 0.00 0.00 178.44 178.54 3mwc h GLU 66 N 0.31 0.39 -0.22 1.25 4.39 -1.88 -0.55 114.58 118.27 3mwc h GLU 66 Ca 0.35 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 3mwc h GLU 66 Cb 0.53 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3mwc h GLU 66 CO -0.41 0.57 -0.26 1.79 -1.16 0.00 0.00 179.01 179.54 3mwc h THR 67 N 0.16 1.26 -0.58 1.13 1.35 -1.91 -1.66 112.91 112.67 3mwc h THR 67 Ca 0.06 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 3mwc h THR 67 Cb 0.39 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 3mwc h THR 67 CO 0.01 0.39 0.22 0.74 -0.25 0.00 0.00 175.52 176.63 3mwc h THR 68 N 0.37 1.23 -0.52 6.82 2.02 -0.71 -0.36 112.91 121.76 3mwc h THR 68 Ca 0.05 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3mwc h THR 68 Cb 0.66 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 3mwc h THR 68 CO 0.05 0.28 0.26 0.11 0.37 0.00 0.00 175.52 176.59 3mwc h LYS 69 N 0.81 0.49 0.24 6.66 1.57 -0.57 -1.26 116.57 124.51 3mwc h LYS 69 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3mwc h LYS 69 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3mwc h LYS 69 CO -0.01 0.32 -0.16 0.28 -0.57 0.00 0.00 179.45 179.31 3mwc h VAL 70 N 0.50 0.65 -0.99 0.50 2.07 -0.79 0.78 116.25 118.97 3mwc h VAL 70 Ca 0.23 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.82 3mwc h VAL 70 Cb 0.14 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3mwc h VAL 70 CO -0.16 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.46 3mwc h ILE 71 N -0.40 1.07 0.02 4.57 1.08 -0.96 -0.50 117.51 122.38 3mwc h ILE 71 Ca -0.02 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3mwc h ILE 71 Cb 0.34 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3mwc h ILE 71 CO 0.01 0.21 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.60 3mwc h LEU 72 N 1.14 -0.02 -0.24 1.44 3.38 -0.84 0.00 115.31 120.17 3mwc h LEU 72 Ca 0.43 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3mwc h LEU 72 Cb 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mwc h LEU 72 CO -0.18 0.65 0.04 0.11 0.09 0.00 0.00 178.44 179.16 3mwc h LYS 73 N -0.72 0.39 0.00 1.13 1.57 -0.76 0.88 116.57 119.07 3mwc h LYS 73 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3mwc h LYS 73 Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3mwc h LYS 73 CO 0.00 0.52 -1.09 0.09 -0.57 0.00 0.00 179.45 178.40 3mwc n ASN 74 N -4.71 0.63 0.05 0.86 3.02 -0.21 -4.49 115.26 110.41 3mwc n ASN 74 Ca -0.03 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3mwc n ASN 74 Cb 0.19 0.75 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 3mwc n ASN 74 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3mwc n HIS 75 N -2.26 -0.62 -0.04 3.10 8.25 -0.71 -4.89 115.22 118.04 3mwc n HIS 75 Ca 0.01 0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.46 3mwc n HIS 75 Cb 0.49 0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.81 3mwc n HIS 75 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3mwc h LEU 76 N 0.00 0.21 -0.44 2.41 5.85 -1.04 -2.45 115.31 119.85 3mwc h LEU 76 Ca 0.00 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 3mwc h LEU 76 Cb 0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3mwc h LEU 76 CO 0.00 0.41 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.44 3mwc h LEU 77 N -0.01 0.76 -0.83 2.25 3.38 -1.05 -2.74 115.31 117.07 3mwc h LEU 77 Ca 0.04 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3mwc h LEU 77 Cb 0.29 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3mwc h LEU 77 CO 0.00 0.88 0.50 -0.65 0.09 0.00 0.00 178.44 179.27 3mwc h PRO 78 N 0.61 1.12 -0.86 1.13 0.11 -1.75 -2.87 132.00 129.49 3mwc h PRO 78 Ca 0.12 -0.10 0.07 0.00 0.11 0.00 0.00 66.00 66.21 3mwc h PRO 78 Cb 0.49 -0.24 -0.07 0.00 0.11 0.00 0.00 31.00 31.30 3mwc h PRO 78 CO 0.02 0.79 0.53 1.98 -0.21 0.00 0.00 178.00 181.11 3mwc h MET 79 N 1.14 0.91 0.00 1.05 4.05 -1.15 -2.83 114.93 118.09 3mwc h MET 79 Ca 0.30 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 3mwc h MET 79 Cb -0.05 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.54 3mwc h MET 79 CO -0.06 0.60 -0.14 -0.84 0.23 0.00 0.00 176.91 176.71 3mwc h ILE 80 N 0.94 0.00 -2.60 1.77 3.07 -1.41 -3.44 117.51 115.83 3mwc h ILE 80 Ca 0.39 -0.76 -0.52 0.00 1.55 0.00 0.00 64.86 65.52 3mwc h ILE 80 Cb 0.23 1.68 0.05 0.00 -0.27 0.00 0.00 36.82 38.50 3mwc h ILE 80 CO -0.19 0.00 1.06 -0.22 -1.05 0.00 0.00 178.15 177.75 3mwc s LEU 81 N -5.33 4.38 0.00 0.16 2.96 -1.07 -1.39 118.68 118.39 3mwc s LEU 81 Ca 0.08 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 3mwc s LEU 81 Cb 0.09 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3mwc s LEU 81 CO 0.66 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3mwc n GLY 82 N 4.11 2.32 3.78 7.98 0.00 0.15 -5.01 105.19 118.52 3mwc n GLY 82 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3mwc n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mwc s LYS 83 N -0.21 3.19 -0.55 1.61 -0.14 -0.49 -4.62 119.74 118.53 3mwc s LYS 83 Ca 0.00 1.42 0.05 0.00 -1.36 0.00 0.00 55.97 56.08 3mwc s LYS 83 Cb 0.00 -2.00 0.20 0.00 -1.68 0.00 0.00 37.83 34.35 3mwc s LYS 83 CO 0.00 -0.94 0.51 -1.91 -0.76 0.00 0.00 175.35 172.24 3mwc n GLU 84 N -1.83 1.29 -1.74 1.68 2.13 -1.26 -0.76 120.64 120.16 3mwc n GLU 84 Ca 0.10 -3.91 -0.40 0.00 0.66 0.00 0.00 57.16 53.61 3mwc n GLU 84 Cb 0.52 -1.90 0.02 0.00 0.27 0.00 0.00 31.44 30.35 3mwc n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3mwc n PRO 85 N 1.89 2.01 0.14 5.31 -0.04 -1.23 -4.83 135.00 138.25 3mwc n PRO 85 Ca 0.25 0.72 0.12 0.00 -0.04 0.00 0.00 63.50 64.55 3mwc n PRO 85 Cb 0.43 -2.54 0.15 0.00 -0.04 0.00 0.00 33.50 31.51 3mwc n PRO 85 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3mwc h LEU 86 N 2.00 0.00 -7.96 1.53 3.38 -1.91 -3.18 115.31 109.16 3mwc h LEU 86 Ca -0.50 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.51 3mwc h LEU 86 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3mwc h LEU 86 CO 0.60 0.02 0.26 -0.94 0.09 0.00 0.00 178.44 178.47 3mwc s SER 87 N -5.32 -0.23 0.21 -0.43 1.04 -1.24 -3.91 113.70 103.82 3mwc s SER 87 Ca 0.05 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 3mwc s SER 87 Cb 0.09 0.71 0.14 0.00 0.10 0.00 0.00 66.02 67.07 3mwc s SER 87 CO 0.70 -1.32 1.76 0.40 0.98 0.00 0.00 173.24 175.76 3mwc h ILE 88 N 2.00 1.26 -0.59 -1.02 2.04 -1.93 -0.71 117.51 118.56 3mwc h ILE 88 Ca -0.21 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 3mwc h ILE 88 Cb 1.25 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3mwc h ILE 88 CO 0.25 0.34 0.03 -0.33 0.00 0.00 0.00 178.15 178.44 3mwc h GLU 89 N 1.13 1.00 -0.29 2.37 3.07 -1.95 -0.40 114.58 119.51 3mwc h GLU 89 Ca 0.25 -0.29 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 3mwc h GLU 89 Cb 0.25 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3mwc h GLU 89 CO -0.02 0.96 -0.47 0.93 -1.40 0.00 0.00 179.01 179.01 3mwc h GLU 90 N 0.92 0.77 -0.81 2.33 4.39 -1.88 -1.76 114.58 118.54 3mwc h GLU 90 Ca 0.17 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3mwc h GLU 90 Cb 0.49 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 3mwc h GLU 90 CO 0.02 1.07 0.33 0.35 -1.16 0.00 0.00 179.01 179.63 3mwc h PHE 91 N 0.61 1.21 -0.63 4.33 3.57 -0.98 -0.09 116.94 124.96 3mwc h PHE 91 Ca 0.03 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3mwc h PHE 91 Cb 1.05 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3mwc h PHE 91 CO 0.06 0.91 0.37 -0.91 -2.23 0.00 0.00 178.31 176.51 3mwc h ASN 92 N 1.17 0.59 -0.58 0.41 2.35 -0.87 -1.64 115.58 117.01 3mwc h ASN 92 Ca 0.27 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3mwc h ASN 92 Cb 0.20 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3mwc h ASN 92 CO -0.02 0.40 0.27 -0.74 -1.65 0.00 0.00 177.43 175.69 3mwc h HIS 93 N 0.72 0.84 -0.62 1.19 2.76 -0.84 -2.71 115.15 116.48 3mwc h HIS 93 Ca 0.26 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 3mwc h HIS 93 Cb 0.08 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 3mwc h HIS 93 CO -0.06 0.65 0.29 1.25 -1.30 0.00 0.00 177.93 178.75 3mwc h LEU 94 N 0.78 0.37 -0.15 0.26 5.85 -0.48 -2.28 115.31 119.66 3mwc h LEU 94 Ca 0.20 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3mwc h LEU 94 Cb 0.13 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3mwc h LEU 94 CO -0.02 0.23 -0.10 0.16 -0.34 0.00 0.00 178.44 178.36 3mwc h ILE 95 N 0.52 0.18 0.00 4.05 3.07 -1.18 -2.78 117.51 121.38 3mwc h ILE 95 Ca 0.30 -1.20 0.00 0.00 1.55 0.00 0.00 64.86 65.51 3mwc h ILE 95 Cb 0.29 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 3mwc h ILE 95 CO -0.24 0.10 -0.35 0.11 -1.05 0.00 0.00 178.15 176.72 3mwc h LYS 96 N 0.00 0.00 0.03 0.16 1.57 -1.19 -3.35 116.57 113.79 3mwc h LYS 96 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mwc h LYS 96 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3mwc h LYS 96 CO 0.01 0.00 -0.01 -0.97 -0.57 0.00 0.00 179.45 177.91 3mwc h ASN 97 N 0.00 -0.03 -0.06 0.86 -1.24 -1.12 -3.08 115.58 110.92 3mwc h ASN 97 Ca 0.00 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.45 3mwc h ASN 97 Cb 0.86 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.92 3mwc h ASN 97 CO 0.00 0.56 0.00 0.61 -1.29 0.00 0.00 177.43 177.31 3mwc n GLY 98 N 0.54 0.01 2.80 1.57 0.00 -1.26 -4.69 105.19 104.16 3mwc n GLY 98 Ca -0.09 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 3mwc n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mwc s ILE 99 N -1.94 -0.45 0.61 -0.61 1.01 -1.16 -5.00 121.20 113.66 3mwc s ILE 99 Ca 0.37 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3mwc s ILE 99 Cb 0.20 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 3mwc s ILE 99 CO 0.31 -0.35 0.96 -0.13 0.00 0.00 0.00 174.94 175.74 3mwc s ARG 100 N 2.40 3.07 3.73 2.79 0.52 -1.26 -4.53 118.95 125.67 3mwc s ARG 100 Ca 0.09 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 3mwc s ARG 100 Cb -0.14 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3mwc s ARG 100 CO -0.26 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 174.75 3mwc n GLY 101 N -2.69 1.38 3.81 -3.53 0.00 -1.26 -4.90 105.19 98.00 3mwc n GLY 101 Ca 0.05 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3mwc n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mwc n ASN 102 N -2.38 -0.80 0.14 1.61 3.02 -1.26 -4.87 115.26 110.73 3mwc n ASN 102 Ca 0.00 -0.91 0.03 0.00 -0.03 0.00 0.00 54.58 53.67 3mwc n ASN 102 Cb 0.00 -3.60 0.41 0.00 -0.61 0.00 0.00 39.78 35.98 3mwc n ASN 102 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3mwc h HIS 103 N -1.85 0.19 -0.43 3.10 3.86 -1.89 -2.30 115.15 115.83 3mwc h HIS 103 Ca -0.62 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 58.50 3mwc h HIS 103 Cb 1.37 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 3mwc h HIS 103 CO 0.47 0.34 -0.00 0.74 0.86 0.00 0.00 177.93 180.34 3mwc h PHE 104 N 0.17 0.82 -0.22 2.45 0.04 -1.90 0.12 116.94 118.42 3mwc h PHE 104 Ca 0.03 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3mwc h PHE 104 Cb 0.39 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3mwc h PHE 104 CO 0.00 0.82 0.08 0.00 -0.60 0.00 0.00 178.31 178.61 3mwc h ALA 105 N 0.90 0.29 -0.76 2.45 0.00 -1.85 -2.41 119.26 117.88 3mwc h ALA 105 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mwc h ALA 105 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3mwc h ALA 105 CO 0.02 -0.11 0.43 -0.09 0.00 0.00 0.00 179.25 179.50 3mwc h ARG 106 N 0.20 1.05 -0.53 0.00 2.43 -1.36 -2.87 114.38 113.29 3mwc h ARG 106 Ca 0.07 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3mwc h ARG 106 Cb 0.20 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3mwc h ARG 106 CO -0.00 0.77 0.28 0.00 -1.51 0.00 0.00 179.97 179.51 3mwc h GLY 108 N 0.71 1.24 0.91 0.00 0.00 -1.23 -0.17 103.07 104.54 3mwc h GLY 108 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 3mwc h GLY 108 CO -0.03 0.60 -0.40 -2.08 0.00 0.00 0.00 176.54 174.63 3mwc h VAL 109 N 1.14 1.34 -0.32 4.60 2.07 -1.33 -2.35 116.25 121.40 3mwc h VAL 109 Ca 0.27 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3mwc h VAL 109 Cb 0.13 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3mwc h VAL 109 CO -0.03 0.50 0.09 -0.08 0.02 0.00 0.00 177.57 178.07 3mwc h GLU 110 N 0.24 0.50 -0.73 1.57 4.22 -0.46 -2.52 114.58 117.40 3mwc h GLU 110 Ca 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 3mwc h GLU 110 Cb 1.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3mwc h GLU 110 CO 0.09 0.56 0.26 -0.91 -2.18 0.00 0.00 179.01 176.82 3mwc h ASN 111 N 0.36 1.03 -0.55 1.04 -0.26 -1.10 -2.02 115.58 114.08 3mwc h ASN 111 Ca 0.10 -0.19 0.02 0.00 -0.56 0.00 0.00 56.30 55.67 3mwc h ASN 111 Cb 0.27 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 3mwc h ASN 111 CO -0.00 0.95 0.36 0.00 -1.06 0.00 0.00 177.43 177.68 3mwc h ALA 112 N 1.13 1.68 -0.44 -0.83 0.00 -1.21 -1.17 119.26 118.42 3mwc h ALA 112 Ca 0.24 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3mwc h ALA 112 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mwc h ALA 112 CO -0.01 0.27 -0.24 -0.92 0.00 0.00 0.00 179.25 178.35 3mwc h TYR 113 N 0.67 1.09 -0.76 0.00 3.20 -0.94 -0.28 116.97 119.96 3mwc h TYR 113 Ca 0.21 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3mwc h TYR 113 Cb 0.02 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 3mwc h TYR 113 CO -0.00 1.09 0.50 -1.49 -1.64 0.00 0.00 178.16 176.62 3mwc h TRP 114 N 0.78 0.94 -0.46 -3.82 4.06 -0.98 -1.17 115.95 115.29 3mwc h TRP 114 Ca 0.09 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 3mwc h TRP 114 Cb 0.82 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 3mwc h TRP 114 CO 0.06 0.58 0.23 0.22 -3.56 0.00 0.00 178.44 175.96 3mwc h ASP 115 N 1.00 0.60 -0.42 -3.49 3.58 -0.85 0.72 116.42 117.55 3mwc h ASP 115 Ca 0.28 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 3mwc h ASP 115 Cb -0.08 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3mwc h ASP 115 CO -0.07 0.55 0.19 0.25 -2.88 0.00 0.00 179.24 177.27 3mwc h LEU 116 N 0.60 0.56 -0.75 2.28 5.85 -0.74 -1.89 115.31 121.22 3mwc h LEU 116 Ca 0.16 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3mwc h LEU 116 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3mwc h LEU 116 CO -0.02 0.55 -0.23 0.40 -0.34 0.00 0.00 178.44 178.80 3mwc h ILE 117 N 0.54 1.27 -0.59 4.05 1.08 -0.97 -0.91 117.51 121.98 3mwc h ILE 117 Ca 0.14 -1.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.26 3mwc h ILE 117 Cb 0.15 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3mwc h ILE 117 CO -0.02 0.44 0.24 0.00 -0.69 0.00 0.00 178.15 178.13 3mwc h ALA 118 N 1.13 0.77 -0.09 1.87 0.00 -0.63 -1.86 119.26 120.43 3mwc h ALA 118 Ca 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3mwc h ALA 118 Cb 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mwc h ALA 118 CO 0.06 0.37 -0.29 0.87 0.00 0.00 0.00 179.25 180.25 3mwc h LYS 119 N 0.81 0.36 -0.76 0.00 1.57 -1.13 0.05 116.57 117.48 3mwc h LYS 119 Ca 0.20 -0.27 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3mwc h LYS 119 Cb 0.19 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3mwc h LYS 119 CO -0.02 0.89 0.50 -0.22 -0.57 0.00 0.00 179.45 180.03 3mwc h LYS 120 N -0.10 0.57 -0.01 3.15 3.64 -1.13 -0.13 116.57 122.55 3mwc h LYS 120 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3mwc h LYS 120 Cb 0.92 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3mwc h LYS 120 CO 0.06 0.38 -0.13 0.09 -2.27 0.00 0.00 179.45 177.58 3mwc n ASN 121 N -4.50 1.57 -3.76 4.20 3.02 -0.71 -4.97 115.26 110.10 3mwc n ASN 121 Ca 0.13 -1.36 -0.23 0.00 -0.03 0.00 0.00 54.58 53.10 3mwc n ASN 121 Cb 0.40 0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 3mwc n ASN 121 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mwc n LYS 122 N 0.02 -4.28 -4.12 3.52 5.02 -0.06 -4.99 118.16 113.26 3mwc n LYS 122 Ca 0.15 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 56.88 3mwc n LYS 122 Cb 0.39 -4.96 -0.11 0.00 -0.02 0.00 0.00 35.03 30.33 3mwc n LYS 122 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3mwc s ILE 123 N -3.74 0.66 0.47 -0.18 2.07 -0.16 -4.86 121.20 115.45 3mwc s ILE 123 Ca 0.02 -1.48 -0.21 0.00 -1.41 0.00 0.00 60.65 57.57 3mwc s ILE 123 Cb -0.01 -1.12 -0.09 0.00 0.13 0.00 0.00 42.46 41.37 3mwc s ILE 123 CO 0.83 -0.59 1.02 -0.94 -1.91 0.00 0.00 174.94 173.36 3mwc s SER 124 N -2.25 6.50 0.21 4.50 1.04 -1.26 -2.29 113.70 120.15 3mwc s SER 124 Ca 0.00 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.23 3mwc s SER 124 Cb -0.03 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.80 3mwc s SER 124 CO -0.02 -0.67 1.73 -0.07 0.98 0.00 0.00 173.24 175.19 3mwc h LEU 125 N 1.73 0.12 -0.85 2.42 3.38 -1.76 -0.86 115.31 119.50 3mwc h LEU 125 Ca -0.49 0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3mwc h LEU 125 Cb 1.21 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3mwc h LEU 125 CO 0.60 0.08 0.50 0.50 0.09 0.00 0.00 178.44 180.20 3mwc h LYS 126 N 0.33 0.83 -0.63 1.13 3.64 -1.88 -0.22 116.57 119.78 3mwc h LYS 126 Ca 0.30 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3mwc h LYS 126 Cb 0.41 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3mwc h LYS 126 CO -0.34 0.55 0.11 0.00 -2.27 0.00 0.00 179.45 177.50 3mwc h ALA 127 N 1.45 1.01 -0.60 5.00 0.00 -1.56 -1.09 119.26 123.47 3mwc h ALA 127 Ca 0.40 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3mwc h ALA 127 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3mwc h ALA 127 CO -0.23 0.63 0.05 0.52 0.00 0.00 0.00 179.25 180.23 3mwc h MET 128 N 0.96 1.03 -0.23 0.00 2.86 -0.40 -2.30 114.93 116.84 3mwc h MET 128 Ca 0.20 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3mwc h MET 128 Cb 0.40 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3mwc h MET 128 CO 0.01 0.99 0.01 0.82 1.06 0.00 0.00 176.91 179.80 3mwc h ILE 129 N 0.93 1.25 -0.65 -1.22 2.04 -0.74 -0.82 117.51 118.29 3mwc h ILE 129 Ca 0.18 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3mwc h ILE 129 Cb 0.49 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3mwc h ILE 129 CO 0.02 0.26 0.39 -0.08 0.00 0.00 0.00 178.15 178.74 3mwc h GLU 130 N 0.18 0.72 -0.28 2.37 4.81 -1.14 0.13 114.58 121.37 3mwc h GLU 130 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3mwc h GLU 130 Cb 0.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3mwc h GLU 130 CO 0.01 0.48 0.11 -0.22 -0.73 0.00 0.00 179.01 178.66 3mwc h LYS 131 N 0.74 0.41 -0.20 1.92 3.64 -1.22 -0.39 116.57 121.48 3mwc h LYS 131 Ca 0.27 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3mwc h LYS 131 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3mwc h LYS 131 CO -0.14 0.44 0.09 -0.22 -2.27 0.00 0.00 179.45 177.35 3mwc h LYS 132 N 0.30 0.19 -0.63 1.90 1.63 -0.77 0.11 116.57 119.30 3mwc h LYS 132 Ca 0.09 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.01 3mwc h LYS 132 Cb 0.18 -0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.66 3mwc h LYS 132 CO -0.01 0.13 0.02 0.52 -3.45 0.00 0.00 179.45 176.66 3mwc h MET 133 N 0.20 0.13 -0.31 1.90 2.86 -0.58 -0.12 114.93 119.01 3mwc h MET 133 Ca 0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3mwc h MET 133 Cb 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3mwc h MET 133 CO -0.07 0.09 0.06 -0.22 1.06 0.00 0.00 176.91 177.82 3mwc h LYS 134 N 0.13 0.50 0.00 1.72 3.64 -0.26 -1.39 116.57 120.91 3mwc h LYS 134 Ca 0.33 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3mwc h LYS 134 Cb 0.53 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3mwc h LYS 134 CO -0.52 0.59 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.29 3mwc h ASN 135 N 0.33 0.00 0.54 4.20 2.35 -0.11 -1.75 115.58 121.14 3mwc h ASN 135 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3mwc h ASN 135 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3mwc h ASN 135 CO 0.00 0.05 -0.20 0.18 -1.65 0.00 0.00 177.43 175.81 3mwc n LEU 136 N -4.27 0.41 0.00 1.61 4.77 -0.12 -4.92 117.00 114.48 3mwc n LEU 136 Ca -0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3mwc n LEU 136 Cb 0.13 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3mwc n LEU 136 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3mwc n GLY 137 N 1.40 0.67 3.67 -0.72 0.00 -0.66 -5.04 105.19 104.52 3mwc n GLY 137 Ca 0.10 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 3mwc n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mwc n VAL 138 N -2.60 1.04 -1.73 1.61 0.31 -0.57 -4.90 118.33 111.50 3mwc n VAL 138 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 3mwc n VAL 138 Cb 0.03 -1.48 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 3mwc n VAL 138 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3mwc n LYS 139 N 1.91 2.41 -0.31 5.55 5.02 -1.26 -4.79 118.16 126.70 3mwc n LYS 139 Ca 0.11 0.85 0.15 0.00 -2.02 0.00 0.00 58.31 57.40 3mwc n LYS 139 Cb 0.32 -2.53 0.34 0.00 -0.02 0.00 0.00 35.03 33.13 3mwc n LYS 139 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3mwc h GLN 140 N 3.32 0.30 -0.20 1.97 5.75 -2.00 0.26 115.11 124.51 3mwc h GLN 140 Ca -0.48 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.06 3mwc h GLN 140 Cb 1.26 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 3mwc h GLN 140 CO 0.68 0.20 0.17 1.49 -2.65 0.00 0.00 178.83 178.71 3mwc h GLU 141 N 0.30 0.00 -0.45 1.69 4.81 -2.00 -2.39 114.58 116.55 3mwc h GLU 141 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 3mwc h GLU 141 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3mwc h GLU 141 CO -0.60 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.34 3mwc n TYR 142 N -4.22 0.59 0.95 0.92 4.01 0.92 -3.32 117.16 117.01 3mwc n TYR 142 Ca 0.02 -0.29 0.13 0.00 -0.16 0.00 0.00 57.90 57.59 3mwc n TYR 142 Cb 0.30 -0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.68 3mwc n TYR 142 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3mwc n LEU 143 N 1.55 0.38 -4.78 7.72 4.77 -0.90 -4.35 117.00 121.40 3mwc n LEU 143 Ca 0.20 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.02 3mwc n LEU 143 Cb 0.62 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3mwc n LEU 143 CO 0.16 0.07 0.75 0.00 -1.33 0.00 0.00 177.39 177.04 3mwc s ALA 144 N -3.02 2.61 0.23 -1.18 0.00 -1.21 -4.88 121.76 114.32 3mwc s ALA 144 Ca 0.11 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 3mwc s ALA 144 Cb 0.17 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3mwc s ALA 144 CO 0.65 -0.97 0.54 -1.54 0.00 0.00 0.00 175.76 174.45 3mwc s SER 145 N -2.25 -0.19 0.38 0.00 1.04 -1.26 -0.09 113.70 111.33 3mwc s SER 145 Ca 0.69 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 56.50 3mwc s SER 145 Cb -0.21 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3mwc s SER 145 CO 0.34 -1.15 0.39 0.20 0.98 0.00 0.00 173.24 174.00 3mwc s ASN 146 N -2.94 5.35 -0.18 7.02 0.01 -0.48 -4.93 114.94 118.78 3mwc s ASN 146 Ca 0.15 -0.54 0.11 0.00 -0.71 0.00 0.00 52.86 51.88 3mwc s ASN 146 Cb -0.02 -0.81 0.65 0.00 0.41 0.00 0.00 41.25 41.49 3mwc s ASN 146 CO 0.04 -0.54 1.49 -0.46 -1.51 0.00 0.00 177.10 176.12 3mwc n ASN 147 N -1.55 4.74 -3.70 -1.22 0.23 -1.26 -4.77 115.26 107.73 3mwc n ASN 147 Ca 0.02 -2.72 -0.10 0.00 -0.53 0.00 0.00 54.58 51.25 3mwc n ASN 147 Cb 0.60 -0.64 -0.04 0.00 -2.08 0.00 0.00 39.78 37.62 3mwc n ASN 147 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 3mwc s TYR 148 N -2.37 -0.14 0.17 -2.53 -0.85 -1.26 -0.96 117.35 109.41 3mwc s TYR 148 Ca 0.43 -0.19 0.08 0.00 -0.52 0.00 0.00 57.07 56.87 3mwc s TYR 148 Cb 0.33 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 3mwc s TYR 148 CO 0.13 -0.81 -0.06 0.96 -1.52 0.00 0.00 175.55 174.25 3mwc s ILE 149 N -3.85 3.41 0.28 -3.49 -4.36 0.15 -4.67 121.20 108.68 3mwc s ILE 149 Ca 0.07 -1.55 -0.09 0.00 -0.26 0.00 0.00 60.65 58.82 3mwc s ILE 149 Cb 0.00 -2.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.95 3mwc s ILE 149 CO -0.07 -0.10 0.60 -1.61 0.24 0.00 0.00 174.94 174.00 3mwc s GLU 150 N -2.85 3.77 -0.08 0.37 2.02 -1.26 -1.08 118.70 119.59 3mwc s GLU 150 Ca 0.26 0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.57 3mwc s GLU 150 Cb -0.09 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 3mwc s GLU 150 CO 0.16 0.22 -0.24 0.45 0.02 0.00 0.00 175.26 175.87 3mwc s SER 151 N -2.70 3.09 0.16 -0.19 0.15 -0.20 -0.99 113.70 113.02 3mwc s SER 151 Ca 0.48 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.69 3mwc s SER 151 Cb -0.11 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 3mwc s SER 151 CO 0.25 0.20 -0.16 -0.83 1.20 0.00 0.00 173.24 173.90 3mwc s GLY 152 N 0.08 1.71 0.26 9.45 0.00 -0.24 -1.27 107.32 117.30 3mwc s GLY 152 Ca -0.11 -1.48 -0.18 0.00 0.00 0.00 0.00 44.72 42.95 3mwc s GLY 152 CO 0.06 -1.49 0.72 0.00 0.00 0.00 0.00 173.10 172.40 3mwc s ALA 153 N -1.53 3.39 -0.18 3.20 0.00 0.10 -4.60 121.76 122.14 3mwc s ALA 153 Ca 0.22 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3mwc s ALA 153 Cb -0.09 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.25 3mwc s ALA 153 CO 0.12 0.33 -0.18 0.00 0.00 0.00 0.00 175.76 176.03 3mwc s ALA 154 N -1.68 2.38 -0.10 0.00 0.00 -1.26 -1.25 121.76 119.84 3mwc s ALA 154 Ca 0.47 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3mwc s ALA 154 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3mwc s ALA 154 CO 0.20 -0.33 -0.04 -0.51 0.00 0.00 0.00 175.76 175.07 3mwc s LEU 155 N 1.27 3.27 0.00 0.00 1.43 -0.21 -4.99 118.68 119.46 3mwc s LEU 155 Ca 0.04 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3mwc s LEU 155 Cb -0.13 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.40 3mwc s LEU 155 CO -0.11 0.30 0.41 0.61 0.23 0.00 0.00 176.35 177.79 3mwc n GLY 156 N 2.68 -0.26 3.67 -3.19 0.00 -1.26 -0.46 105.19 106.37 3mwc n GLY 156 Ca -0.18 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 3mwc n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mwc s ILE 157 N -1.48 5.12 0.21 -0.61 1.01 -1.26 -4.48 121.20 119.71 3mwc s ILE 157 Ca 0.25 0.93 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 3mwc s ILE 157 Cb -0.01 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3mwc s ILE 157 CO 0.17 0.20 1.38 -2.16 0.00 0.00 0.00 174.94 174.54 3mwc s PRO 158 N 1.47 4.33 0.61 2.79 0.04 -1.26 -4.90 135.00 138.07 3mwc s PRO 158 Ca 0.24 2.17 0.35 0.00 0.04 0.00 0.00 61.00 63.80 3mwc s PRO 158 Cb -0.15 -3.16 1.98 0.00 0.04 0.00 0.00 34.50 33.20 3mwc s PRO 158 CO 0.10 -0.35 2.26 0.93 0.04 0.00 0.00 177.00 179.98 3mwc h GLU 159 N 5.45 0.00 -0.06 4.56 5.08 -1.96 -0.61 114.58 127.05 3mwc h GLU 159 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3mwc h GLU 159 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3mwc h GLU 159 CO 0.79 0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.42 3mwc n ASP 160 N -3.50 1.65 -1.15 1.42 5.68 -1.26 -4.93 116.55 114.46 3mwc n ASP 160 Ca -0.03 -1.58 -0.15 0.00 -0.50 0.00 0.00 54.79 52.53 3mwc n ASP 160 Cb 0.11 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 40.00 3mwc n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mwc n GLY 161 N 1.18 1.48 3.73 6.12 0.00 -0.24 -4.97 105.19 112.50 3mwc n GLY 161 Ca 0.18 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3mwc n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mwc s ARG 162 N -3.23 4.22 0.38 1.61 1.81 -1.26 -4.97 118.95 117.50 3mwc s ARG 162 Ca 0.00 0.06 0.06 0.00 -1.72 0.00 0.00 55.73 54.12 3mwc s ARG 162 Cb 0.00 -3.41 0.74 0.00 -0.45 0.00 0.00 34.95 31.83 3mwc s ARG 162 CO 0.00 0.27 1.97 0.82 -0.68 0.00 0.00 175.30 177.68 3mwc h ILE 163 N 4.64 1.15 0.00 1.52 1.08 -1.98 -2.28 117.51 121.65 3mwc h ILE 163 Ca -0.42 -0.47 -0.05 0.00 -0.39 0.00 0.00 64.86 63.53 3mwc h ILE 163 Cb 1.17 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 3mwc h ILE 163 CO 0.75 0.18 -0.26 -0.08 -0.69 0.00 0.00 178.15 178.05 3mwc h GLU 164 N 0.53 0.00 -0.19 2.37 4.57 -1.98 -0.28 114.58 119.60 3mwc h GLU 164 Ca 0.13 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.14 3mwc h GLU 164 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3mwc h GLU 164 CO -0.01 0.26 -0.59 1.15 -1.18 0.00 0.00 179.01 178.63 3mwc h THR 165 N 0.00 1.32 -0.37 0.32 2.02 -1.83 0.05 112.91 114.42 3mwc h THR 165 Ca -0.00 -1.85 -0.10 0.00 0.77 0.00 0.00 66.41 65.23 3mwc h THR 165 Cb 0.58 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3mwc h THR 165 CO 0.03 0.58 -0.17 0.25 0.37 0.00 0.00 175.52 176.58 3mwc h LEU 166 N 0.46 0.79 -0.80 2.58 5.85 -1.43 -3.02 115.31 119.74 3mwc h LEU 166 Ca -0.00 -0.40 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 3mwc h LEU 166 Cb 1.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3mwc h LEU 166 CO 0.11 1.02 -0.33 0.40 -0.34 0.00 0.00 178.44 179.30 3mwc h ILE 167 N 0.56 1.29 -0.53 4.05 1.08 -0.83 -1.19 117.51 121.94 3mwc h ILE 167 Ca 0.08 -1.43 0.01 0.00 -0.39 0.00 0.00 64.86 63.13 3mwc h ILE 167 Cb 0.72 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 3mwc h ILE 167 CO 0.05 0.45 0.35 -0.74 -0.69 0.00 0.00 178.15 177.58 3mwc h HIS 168 N 0.44 0.66 0.00 1.37 -0.00 -0.98 -1.42 115.15 115.22 3mwc h HIS 168 Ca 0.05 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.29 3mwc h HIS 168 Cb 0.79 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 3mwc h HIS 168 CO 0.03 0.41 -0.68 1.96 -0.00 0.00 0.00 177.93 179.65 3mwc h GLN 169 N 0.71 0.00 -0.41 5.26 4.20 -1.14 -1.90 115.11 121.83 3mwc h GLN 169 Ca 0.20 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 3mwc h GLN 169 Cb -0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3mwc h GLN 169 CO -0.04 0.68 -0.27 0.28 -0.67 0.00 0.00 178.83 178.81 3mwc h VAL 170 N 0.00 1.27 -0.40 -0.54 2.07 -0.49 -1.79 116.25 116.37 3mwc h VAL 170 Ca -0.01 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 3mwc h VAL 170 Cb 1.32 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3mwc h VAL 170 CO 0.09 0.48 -0.16 -0.33 0.02 0.00 0.00 177.57 177.66 3mwc h GLU 171 N 0.74 0.81 -0.41 1.57 5.08 -1.15 -2.26 114.58 118.96 3mwc h GLU 171 Ca 0.09 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3mwc h GLU 171 Cb 0.82 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3mwc h GLU 171 CO 0.07 0.97 0.03 0.93 -1.00 0.00 0.00 179.01 180.01 3mwc h GLU 172 N 0.62 0.64 -0.57 2.33 5.08 -1.24 -1.86 114.58 119.58 3mwc h GLU 172 Ca 0.09 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3mwc h GLU 172 Cb 0.71 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3mwc h GLU 172 CO 0.05 0.64 -0.05 0.77 -1.00 0.00 0.00 179.01 179.42 3mwc h SER 173 N 0.61 1.03 -0.39 1.42 0.02 -1.10 -0.97 113.55 114.16 3mwc h SER 173 Ca 0.13 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3mwc h SER 173 Cb 0.34 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3mwc h SER 173 CO 0.01 1.10 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.70 3mwc h LEU 174 N 0.94 0.71 -1.55 5.07 3.38 -1.03 -2.57 115.31 120.26 3mwc h LEU 174 Ca 0.16 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3mwc h LEU 174 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3mwc h LEU 174 CO 0.04 0.87 -0.23 -0.61 0.09 0.00 0.00 178.44 178.60 3mwc h GLN 175 N 0.54 0.00 0.00 1.13 4.15 -1.20 -2.29 115.11 117.43 3mwc h GLN 175 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3mwc h GLN 175 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3mwc h GLN 175 CO 0.03 0.23 0.00 0.39 -1.93 0.00 0.00 178.83 177.55 3mwc n GLU 176 N -4.21 0.14 -0.02 1.69 1.02 -0.38 -4.93 120.64 113.94 3mwc n GLU 176 Ca -0.02 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3mwc n GLU 176 Cb 0.29 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3mwc n GLU 176 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mwc n GLY 177 N 1.35 0.63 3.74 0.62 0.00 -0.86 -4.64 105.19 106.02 3mwc n GLY 177 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3mwc n GLY 177 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mwc n TYR 178 N -2.01 2.58 1.01 1.61 4.01 -0.99 -2.96 117.16 120.41 3mwc n TYR 178 Ca 0.00 0.47 0.12 0.00 -0.16 0.00 0.00 57.90 58.33 3mwc n TYR 178 Cb 0.00 -2.45 0.28 0.00 -0.31 0.00 0.00 39.34 36.86 3mwc n TYR 178 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3mwc n ARG 179 N 0.08 2.10 -3.55 -0.72 1.74 -0.40 -4.77 116.66 111.14 3mwc n ARG 179 Ca 0.05 -1.62 -0.15 0.00 -0.77 0.00 0.00 57.85 55.36 3mwc n ARG 179 Cb 0.40 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3mwc n ARG 179 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3mwc s ARG 180 N -1.84 0.87 -0.02 5.56 3.00 -1.25 -4.50 118.95 120.75 3mwc s ARG 180 Ca 0.34 0.29 0.06 0.00 -1.00 0.00 0.00 55.73 55.42 3mwc s ARG 180 Cb 0.20 0.41 -0.01 0.00 0.00 0.00 0.00 34.95 35.55 3mwc s ARG 180 CO 0.31 -0.25 -0.20 0.42 0.00 0.00 0.00 175.30 175.58 3mwc s ILE 181 N -0.98 1.56 0.01 4.11 1.01 -0.73 0.01 121.20 126.18 3mwc s ILE 181 Ca -0.07 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3mwc s ILE 181 Cb -0.01 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3mwc s ILE 181 CO 0.06 0.44 -0.20 -1.59 0.00 0.00 0.00 174.94 173.65 3mwc s LYS 182 N -0.39 1.51 0.01 2.79 -2.85 -0.38 -2.09 119.74 118.34 3mwc s LYS 182 Ca 0.06 -0.78 0.09 0.00 -1.00 0.00 0.00 55.97 54.33 3mwc s LYS 182 Cb -0.08 -1.52 -0.02 0.00 -2.06 0.00 0.00 37.83 34.15 3mwc s LYS 182 CO -0.00 0.41 -0.26 0.96 0.10 0.00 0.00 175.35 176.55 3mwc s ILE 183 N -0.58 2.09 0.33 3.79 -4.36 -0.41 -1.04 121.20 121.02 3mwc s ILE 183 Ca 0.07 -1.23 -0.28 0.00 -0.26 0.00 0.00 60.65 58.95 3mwc s ILE 183 Cb -0.08 -1.76 -0.10 0.00 1.25 0.00 0.00 42.46 41.78 3mwc s ILE 183 CO 0.00 0.49 1.24 -0.75 0.24 0.00 0.00 174.94 176.16 3mwc s LYS 184 N -0.88 4.38 0.20 0.37 2.20 0.39 -1.65 119.74 124.76 3mwc s LYS 184 Ca 0.11 2.06 0.01 0.00 -0.36 0.00 0.00 55.97 57.79 3mwc s LYS 184 Cb -0.10 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 3mwc s LYS 184 CO 0.00 -0.11 0.05 0.96 -0.36 0.00 0.00 175.35 175.90 3mwc s ILE 185 N -1.18 0.53 0.04 5.43 -4.36 -0.96 -4.65 121.20 116.05 3mwc s ILE 185 Ca 0.49 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.62 3mwc s ILE 185 Cb -0.37 -2.34 0.09 0.00 1.25 0.00 0.00 42.46 41.10 3mwc s ILE 185 CO 0.48 -0.26 0.94 -1.59 0.24 0.00 0.00 174.94 174.75 3mwc s LYS 186 N -3.99 0.91 0.21 0.37 -2.85 -1.09 -4.32 119.74 108.97 3mwc s LYS 186 Ca 0.30 -0.41 -0.32 0.00 -1.00 0.00 0.00 55.97 54.54 3mwc s LYS 186 Cb 0.07 0.37 -0.12 0.00 -2.06 0.00 0.00 37.83 36.09 3mwc s LYS 186 CO 0.08 -0.40 1.73 -2.30 0.10 0.00 0.00 175.35 174.55 3mwc n PRO 187 N -0.32 2.77 0.00 1.78 -0.02 -1.26 -0.96 135.00 136.98 3mwc n PRO 187 Ca -0.08 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3mwc n PRO 187 Cb 0.61 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3mwc n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwc n GLY 188 N 3.97 2.70 2.44 -1.23 0.00 -1.26 -4.92 105.19 106.89 3mwc n GLY 188 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3mwc n GLY 188 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3mwc n TRP 189 N -2.00 1.57 0.00 1.61 -0.00 -0.14 -4.94 117.44 113.55 3mwc n TRP 189 Ca 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 57.50 53.64 3mwc n TRP 189 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 31.31 30.95 3mwc n TRP 189 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3mwc n ASP 190 N 1.58 0.00 -0.14 5.87 5.68 -1.25 -2.67 116.55 125.62 3mwc n ASP 190 Ca 0.25 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.45 3mwc n ASP 190 Cb 0.45 0.01 -0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3mwc n ASP 190 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3mwc h VAL 191 N 0.00 1.20 0.61 2.12 2.07 -1.92 -2.79 116.25 117.54 3mwc h VAL 191 Ca 0.00 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3mwc h VAL 191 Cb 0.00 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3mwc h VAL 191 CO 0.00 0.22 -0.29 -0.08 0.02 0.00 0.00 177.57 177.44 3mwc h GLU 192 N 0.53 -0.79 -1.00 1.57 4.81 -1.94 -1.20 114.58 116.55 3mwc h GLU 192 Ca 0.14 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3mwc h GLU 192 Cb 0.19 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 3mwc h GLU 192 CO -0.01 -0.48 0.63 -1.35 -0.73 0.00 0.00 179.01 177.07 3mwc h PRO 193 N -1.04 0.97 -0.17 0.92 0.11 -1.90 0.09 132.00 130.98 3mwc h PRO 193 Ca -0.08 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.88 3mwc h PRO 193 Cb 0.68 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3mwc h PRO 193 CO 0.14 0.65 -0.27 1.25 -0.21 0.00 0.00 178.00 179.55 3mwc h LEU 194 N 1.00 0.32 -0.11 2.35 5.85 -1.38 0.17 115.31 123.52 3mwc h LEU 194 Ca 0.49 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 3mwc h LEU 194 Cb 0.46 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3mwc h LEU 194 CO -0.25 0.59 -0.10 1.56 -0.34 0.00 0.00 178.44 179.90 3mwc h GLN 195 N 0.29 0.26 0.00 1.25 4.20 0.23 -0.57 115.11 120.76 3mwc h GLN 195 Ca 0.04 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3mwc h GLN 195 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3mwc h GLN 195 CO 0.05 0.67 -0.35 0.93 -0.67 0.00 0.00 178.83 179.45 3mwc h GLU 196 N -0.14 0.00 -0.04 1.46 4.39 -0.97 -2.94 114.58 116.34 3mwc h GLU 196 Ca 0.02 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3mwc h GLU 196 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3mwc h GLU 196 CO 0.03 0.35 -0.26 1.15 -1.16 0.00 0.00 179.01 179.12 3mwc h THR 197 N 0.00 1.46 -0.96 1.13 2.02 -0.87 -2.67 112.91 113.03 3mwc h THR 197 Ca -0.00 -1.73 0.13 0.00 0.77 0.00 0.00 66.41 65.58 3mwc h THR 197 Cb 0.65 2.45 -0.08 0.00 -1.74 0.00 0.00 68.15 69.43 3mwc h THR 197 CO 0.05 0.49 0.61 -0.09 0.37 0.00 0.00 175.52 176.94 3mwc h ARG 198 N -0.30 0.84 0.00 6.66 9.65 -0.98 -1.82 114.38 128.43 3mwc h ARG 198 Ca -0.02 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.61 3mwc h ARG 198 Cb 0.92 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 3mwc h ARG 198 CO 0.05 0.55 -1.04 0.07 2.80 0.00 0.00 179.97 182.40 3mwc h ARG 199 N 0.86 0.00 0.00 0.20 0.11 -1.57 0.36 114.38 114.34 3mwc h ARG 199 Ca 0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.54 3mwc h ARG 199 Cb 0.61 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 3mwc h ARG 199 CO -0.25 0.74 -0.11 0.00 0.10 0.00 0.00 179.97 180.45 3mwc h ALA 200 N 1.15 1.37 0.00 0.08 0.00 -0.98 -3.18 119.26 117.70 3mwc h ALA 200 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mwc h ALA 200 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3mwc h ALA 200 CO 0.10 0.14 -0.70 1.33 0.00 0.00 0.00 179.25 180.11 3mwc n VAL 201 N -3.75 0.00 0.00 0.00 0.24 -0.91 -5.01 118.33 108.90 3mwc n VAL 201 Ca -0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3mwc n VAL 201 Cb 0.21 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 3mwc n VAL 201 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mwc n GLY 202 N 1.48 -1.76 0.38 7.63 0.00 0.12 -4.21 105.19 108.83 3mwc n GLY 202 Ca 0.00 -1.42 0.21 0.00 0.00 0.00 0.00 46.02 44.81 3mwc n GLY 202 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mwc h ASP 203 N 0.00 0.00 0.81 1.61 3.32 -1.93 -2.07 116.42 118.16 3mwc h ASP 203 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3mwc h ASP 203 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3mwc h ASP 203 CO 0.00 0.00 -0.34 1.12 -1.72 0.00 0.00 179.24 178.30 3mwc h HIS 204 N 0.00 0.00 -3.46 4.55 2.07 -1.91 -3.46 115.15 112.94 3mwc h HIS 204 Ca 0.23 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.22 3mwc h HIS 204 Cb 1.03 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.98 3mwc h HIS 204 CO 0.00 0.34 0.36 0.12 -3.07 0.00 0.00 177.93 175.67 3mwc s PHE 205 N -3.67 3.70 -0.12 6.12 5.36 -0.78 -4.93 117.98 123.66 3mwc s PHE 205 Ca -0.00 1.71 -0.34 0.00 -0.96 0.00 0.00 56.93 57.34 3mwc s PHE 205 Cb 0.11 -3.09 -0.11 0.00 -0.34 0.00 0.00 43.02 39.59 3mwc s PHE 205 CO 0.68 0.06 1.92 -2.30 -1.46 0.00 0.00 175.22 174.12 3mwc n PRO 206 N 3.55 2.07 -3.77 10.12 -0.02 -1.26 -4.94 135.00 140.75 3mwc n PRO 206 Ca 0.05 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 3mwc n PRO 206 Cb 0.50 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 3mwc n PRO 206 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mwc s LEU 207 N 4.50 0.85 0.20 2.45 2.96 -1.26 -1.78 118.68 126.62 3mwc s LEU 207 Ca 0.95 0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3mwc s LEU 207 Cb -0.70 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 46.64 3mwc s LEU 207 CO 0.51 -0.12 0.24 -1.66 -1.32 0.00 0.00 176.35 174.01 3mwc s TRP 208 N 0.68 0.81 0.19 5.38 -2.14 -0.89 -0.67 118.94 122.31 3mwc s TRP 208 Ca -0.05 -1.10 0.05 0.00 2.66 0.00 0.00 56.10 57.66 3mwc s TRP 208 Cb -0.06 -0.27 -0.04 0.00 -3.10 0.00 0.00 33.47 30.00 3mwc s TRP 208 CO -0.04 -0.74 0.23 0.95 -2.66 0.00 0.00 176.95 174.69 3mwc s THR 209 N -4.09 4.86 -0.27 0.66 -4.23 -1.20 -1.28 115.64 110.09 3mwc s THR 209 Ca 0.30 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3mwc s THR 209 Cb 0.04 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.42 3mwc s THR 209 CO 0.09 -0.20 0.09 -0.62 -0.54 0.00 0.00 174.62 173.44 3mwc s ASP 210 N -3.47 3.63 0.01 3.99 -1.08 -0.66 -1.20 116.67 117.88 3mwc s ASP 210 Ca 0.33 -1.34 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 3mwc s ASP 210 Cb -0.10 -0.69 0.88 0.00 -1.46 0.00 0.00 42.92 41.55 3mwc s ASP 210 CO 0.26 -0.39 1.68 0.00 0.52 0.00 0.00 175.17 177.24 3mwc n ALA 211 N 4.98 2.89 -3.97 3.66 0.00 -1.09 -2.28 120.51 124.71 3mwc n ALA 211 Ca -0.05 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 3mwc n ALA 211 Cb 0.43 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3mwc n ALA 211 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mwc n ASN 212 N -1.53 -0.57 -1.17 0.00 4.13 -1.23 -2.04 115.26 112.85 3mwc n ASN 212 Ca 0.06 -1.03 -0.14 0.00 1.68 0.00 0.00 54.58 55.14 3mwc n ASN 212 Cb 0.34 -2.94 -0.06 0.00 -1.54 0.00 0.00 39.78 35.58 3mwc n ASN 212 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mwc n SER 213 N -2.95 -5.17 -0.03 6.41 7.64 -0.11 -4.85 113.62 114.57 3mwc n SER 213 Ca -0.30 0.36 0.15 0.00 1.01 0.00 0.00 58.87 60.09 3mwc n SER 213 Cb 0.68 -4.19 0.77 0.00 -1.01 0.00 0.00 64.21 60.46 3mwc n SER 213 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mwc n SER 214 N -1.06 0.10 -4.76 6.43 3.41 -0.87 -3.92 113.62 112.97 3mwc n SER 214 Ca -0.14 -0.43 -0.22 0.00 -0.26 0.00 0.00 58.87 57.81 3mwc n SER 214 Cb 0.59 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3mwc n SER 214 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mwc s PHE 215 N -2.42 2.86 0.36 7.33 0.08 -0.64 -4.57 117.98 120.98 3mwc s PHE 215 Ca 0.33 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.23 3mwc s PHE 215 Cb 0.21 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 3mwc s PHE 215 CO 0.44 0.45 0.13 -1.21 -0.10 0.00 0.00 175.22 174.94 3mwc s GLU 216 N -3.82 2.29 0.52 0.44 0.41 -1.26 -4.18 118.70 113.10 3mwc s GLU 216 Ca 0.35 -1.65 0.16 0.00 -0.41 0.00 0.00 54.97 53.42 3mwc s GLU 216 Cb -0.06 -2.09 1.29 0.00 -1.78 0.00 0.00 34.13 31.49 3mwc s GLU 216 CO 0.23 0.06 2.15 1.25 -0.49 0.00 0.00 175.26 178.46 3mwc h LEU 217 N 1.56 0.00 0.00 1.80 5.85 -1.96 -1.71 115.31 120.85 3mwc h LEU 217 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3mwc h LEU 217 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3mwc h LEU 217 CO 0.65 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.85 3mwc n ASP 218 N -4.52 0.00 -1.70 1.25 5.75 -1.26 -1.45 116.55 114.62 3mwc n ASP 218 Ca -0.03 -0.70 0.08 0.00 -0.01 0.00 0.00 54.79 54.13 3mwc n ASP 218 Cb 0.09 -0.07 0.37 0.00 -1.03 0.00 0.00 41.12 40.48 3mwc n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mwc n GLN 219 N -1.07 4.17 -0.05 0.11 6.02 -0.64 -4.64 117.38 121.28 3mwc n GLN 219 Ca 0.19 -2.91 0.11 0.00 -0.01 0.00 0.00 57.00 54.39 3mwc n GLN 219 Cb 0.12 -2.05 0.51 0.00 1.02 0.00 0.00 30.24 29.84 3mwc n GLN 219 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 3mwc h TRP 220 N 3.94 0.40 -0.46 1.08 5.08 -1.40 -1.02 115.95 123.57 3mwc h TRP 220 Ca 0.00 0.01 0.06 0.00 1.08 0.00 0.00 58.89 60.04 3mwc h TRP 220 Cb 1.66 -0.13 -0.03 0.00 -3.00 0.00 0.00 29.16 27.66 3mwc h TRP 220 CO 0.90 0.20 0.31 0.93 -1.28 0.00 0.00 178.44 179.50 3mwc h GLU 221 N 0.38 0.37 -0.86 0.12 5.08 -1.85 0.16 114.58 117.99 3mwc h GLU 221 Ca 0.25 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3mwc h GLU 221 Cb 0.47 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3mwc h GLU 221 CO -0.06 0.25 0.55 1.15 -1.00 0.00 0.00 179.01 179.90 3mwc h THR 222 N 0.39 1.12 -0.68 1.13 2.02 -1.56 -1.34 112.91 113.99 3mwc h THR 222 Ca 0.20 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3mwc h THR 222 Cb 0.31 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3mwc h THR 222 CO -0.05 0.19 0.11 -0.26 0.37 0.00 0.00 175.52 175.88 3mwc h PHE 223 N 1.06 1.20 -0.85 3.16 0.04 -0.84 -2.29 116.94 118.42 3mwc h PHE 223 Ca 0.35 -0.17 0.17 0.00 2.80 0.00 0.00 57.97 61.13 3mwc h PHE 223 Cb 0.04 -0.33 -0.10 0.00 2.20 0.00 0.00 35.95 37.75 3mwc h PHE 223 CO -0.02 1.00 0.40 -0.22 -0.60 0.00 0.00 178.31 178.87 3mwc h LYS 224 N 1.05 0.50 -0.06 1.51 1.63 -0.17 -0.96 116.57 120.07 3mwc h LYS 224 Ca 0.21 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.83 3mwc h LYS 224 Cb 0.45 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3mwc h LYS 224 CO 0.01 0.33 -0.63 0.00 -3.45 0.00 0.00 179.45 175.71 3mwc h ALA 225 N 1.61 0.82 0.00 5.00 0.00 -0.86 -2.48 119.26 123.35 3mwc h ALA 225 Ca 0.49 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mwc h ALA 225 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3mwc h ALA 225 CO -0.43 0.75 0.00 -1.33 0.00 0.00 0.00 179.25 178.24 3mwc n MET 226 N -3.85 0.33 0.26 0.00 2.81 -0.40 -3.18 117.12 113.09 3mwc n MET 226 Ca -0.02 0.09 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 3mwc n MET 226 Cb 0.64 -1.50 0.69 0.00 -0.71 0.00 0.00 33.22 32.34 3mwc n MET 226 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3mwc h ASP 227 N 0.00 0.00 0.36 7.83 3.32 -1.02 -2.61 116.42 124.29 3mwc h ASP 227 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3mwc h ASP 227 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3mwc h ASP 227 CO 0.00 0.13 -0.30 0.00 -1.72 0.00 0.00 179.24 177.36 3mwc h ALA 228 N 1.87 1.42 0.00 3.45 0.00 -1.76 -2.23 119.26 122.01 3mwc h ALA 228 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mwc h ALA 228 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mwc h ALA 228 CO 0.02 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3mwc n ALA 229 N -2.44 1.95 -4.01 0.00 0.00 -0.98 -4.93 120.51 110.10 3mwc n ALA 229 Ca -0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3mwc n ALA 229 Cb 0.35 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3mwc n ALA 229 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mwc n LYS 230 N -1.49 -2.23 -2.22 0.00 5.02 -0.84 -4.96 118.16 111.44 3mwc n LYS 230 Ca 0.05 0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 56.39 3mwc n LYS 230 Cb 0.24 -4.08 0.12 0.00 -0.02 0.00 0.00 35.03 31.28 3mwc n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mwc h LEU 232 N -0.91 0.69 -7.34 0.00 3.38 -1.27 -3.45 115.31 106.42 3mwc h LEU 232 Ca -0.42 -0.30 0.31 0.00 0.09 0.00 0.00 57.88 57.56 3mwc h LEU 232 Cb 1.28 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 3mwc h LEU 232 CO 0.48 0.99 0.81 0.72 0.09 0.00 0.00 178.44 181.53 3mwc s PHE 233 N -4.32 -0.04 -0.21 1.13 -0.12 -1.26 -4.31 117.98 108.86 3mwc s PHE 233 Ca -0.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.69 3mwc s PHE 233 Cb 0.12 0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 43.07 3mwc s PHE 233 CO 0.83 -0.33 -0.08 -1.01 -0.05 0.00 0.00 175.22 174.59 3mwc s HIS 234 N -2.44 2.91 -0.24 3.49 3.76 -0.12 -3.27 115.29 119.38 3mwc s HIS 234 Ca 0.16 -1.08 -0.26 0.00 -0.15 0.00 0.00 55.06 53.73 3mwc s HIS 234 Cb 0.04 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3mwc s HIS 234 CO -0.03 -0.59 0.92 -2.00 -0.85 0.00 0.00 174.74 172.19 3mwc s GLU 235 N 1.37 4.21 -1.16 1.40 2.12 -0.34 -0.54 118.70 125.76 3mwc s GLU 235 Ca 0.05 1.11 -0.27 0.00 0.36 0.00 0.00 54.97 56.21 3mwc s GLU 235 Cb -0.14 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3mwc s GLU 235 CO -0.05 -0.58 0.73 0.94 -0.54 0.00 0.00 175.26 175.76 3mwc n GLN 236 N 6.16 -0.71 0.14 4.30 -0.06 0.85 -2.69 117.38 125.38 3mwc n GLN 236 Ca 0.08 0.28 -0.00 0.00 -2.00 0.00 0.00 57.00 55.36 3mwc n GLN 236 Cb 0.47 -3.20 0.17 0.00 -4.06 0.00 0.00 30.24 23.63 3mwc n GLN 236 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3mwc h PRO 237 N -2.18 0.00 -5.59 3.69 0.13 -1.81 -0.25 132.00 125.98 3mwc h PRO 237 Ca -0.68 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.82 3mwc h PRO 237 Cb 1.38 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.42 3mwc h PRO 237 CO 0.49 0.60 -0.45 -0.51 -0.23 0.00 0.00 178.00 177.89 3mwc s LEU 238 N -7.36 2.62 0.37 1.56 1.43 -1.26 -1.62 118.68 114.43 3mwc s LEU 238 Ca -0.01 -1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 51.44 3mwc s LEU 238 Cb 0.12 -1.02 -0.12 0.00 0.03 0.00 0.00 46.19 45.20 3mwc s LEU 238 CO 0.75 -0.84 1.12 1.57 0.23 0.00 0.00 176.35 179.18 3mwc n HIS 239 N -1.39 1.62 0.31 0.29 -0.00 -1.25 -4.18 115.22 110.63 3mwc n HIS 239 Ca -0.09 0.58 0.19 0.00 -0.00 0.00 0.00 57.72 58.40 3mwc n HIS 239 Cb 0.66 -2.30 1.02 0.00 -0.00 0.00 0.00 29.99 29.37 3mwc n HIS 239 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 3mwc h TYR 240 N 1.97 0.00 -0.02 1.57 -0.00 -1.93 -1.75 116.97 116.81 3mwc h TYR 240 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 3mwc h TYR 240 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 3mwc h TYR 240 CO 0.47 0.02 -0.04 0.39 -0.00 0.00 0.00 178.16 178.99 3mwc n GLU 241 N -3.31 2.01 -2.06 0.10 1.02 -1.26 -4.30 120.64 112.84 3mwc n GLU 241 Ca -0.02 -1.54 -0.40 0.00 -0.02 0.00 0.00 57.16 55.17 3mwc n GLU 241 Cb 0.13 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3mwc n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mwc n ALA 242 N 0.85 6.69 -0.08 0.62 0.00 -0.66 -4.79 120.51 123.14 3mwc n ALA 242 Ca 0.15 -4.14 -0.09 0.00 0.00 0.00 0.00 53.44 49.36 3mwc n ALA 242 Cb 0.51 -2.73 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 3mwc n ALA 242 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mwc h LEU 243 N 5.54 0.34 -0.81 0.00 3.38 -1.83 -0.95 115.31 120.98 3mwc h LEU 243 Ca 0.68 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.47 3mwc h LEU 243 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mwc h LEU 243 CO 1.46 0.29 -0.46 -0.07 0.09 0.00 0.00 178.44 179.74 3mwc h LEU 244 N 0.36 0.33 -1.28 1.67 3.38 -1.99 -2.20 115.31 115.58 3mwc h LEU 244 Ca 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3mwc h LEU 244 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3mwc h LEU 244 CO -0.02 0.75 0.20 0.44 0.09 0.00 0.00 178.44 179.90 3mwc h ASP 245 N 0.25 0.63 -0.40 -0.43 3.32 -1.87 0.67 116.42 118.60 3mwc h ASP 245 Ca 0.02 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3mwc h ASP 245 Cb 0.91 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3mwc h ASP 245 CO 0.08 0.57 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.74 3mwc h LEU 246 N 0.69 1.00 -0.44 1.55 3.38 -0.75 0.22 115.31 120.96 3mwc h LEU 246 Ca 0.17 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3mwc h LEU 246 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3mwc h LEU 246 CO -0.02 1.24 0.21 0.50 0.09 0.00 0.00 178.44 180.47 3mwc h LYS 247 N 0.76 0.63 -0.32 1.13 3.64 -1.10 -2.44 116.57 118.88 3mwc h LYS 247 Ca 0.07 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3mwc h LYS 247 Cb 0.94 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3mwc h LYS 247 CO 0.09 0.54 0.08 1.49 -2.27 0.00 0.00 179.45 179.38 3mwc h GLU 248 N 0.57 0.50 -0.61 1.90 4.57 -0.72 -2.26 114.58 118.54 3mwc h GLU 248 Ca 0.15 -0.12 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 3mwc h GLU 248 Cb 0.11 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.54 3mwc h GLU 248 CO -0.02 0.56 0.08 1.25 -1.18 0.00 0.00 179.01 179.70 3mwc h LEU 249 N 0.35 -0.10 -2.00 1.64 5.85 -0.94 0.53 115.31 120.64 3mwc h LEU 249 Ca 0.10 0.13 0.15 0.00 0.84 0.00 0.00 57.88 59.10 3mwc h LEU 249 Cb 0.28 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3mwc h LEU 249 CO -0.00 -0.04 0.37 1.23 -0.34 0.00 0.00 178.44 179.66 3mwc h GLY 250 N 0.20 0.00 1.65 3.75 0.00 -0.91 -0.63 103.07 107.13 3mwc h GLY 250 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 3mwc h GLY 250 CO -0.45 0.00 -0.58 0.83 0.00 0.00 0.00 176.54 176.34 3mwc h GLU 251 N 0.00 0.00 0.00 4.80 5.08 -0.50 -3.29 114.58 120.67 3mwc h GLU 251 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3mwc h GLU 251 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3mwc h GLU 251 CO -0.00 0.21 -0.32 0.54 -1.00 0.00 0.00 179.01 178.44 3mwc n ARG 252 N -3.03 0.24 -4.54 2.33 1.74 -0.26 -4.94 116.66 108.20 3mwc n ARG 252 Ca 0.00 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 3mwc n ARG 252 Cb 0.65 -1.71 -0.09 0.00 -1.02 0.00 0.00 32.46 30.29 3mwc n ARG 252 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3mwc s ILE 253 N -3.12 1.01 -0.07 0.55 -4.36 -1.09 -4.91 121.20 109.22 3mwc s ILE 253 Ca 0.09 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 3mwc s ILE 253 Cb 0.14 -2.54 -0.24 0.00 1.25 0.00 0.00 42.46 41.07 3mwc s ILE 253 CO 0.66 0.00 0.55 -0.62 0.24 0.00 0.00 174.94 175.77 3mwc n GLU 254 N -0.89 0.68 -2.49 0.37 -0.58 -1.26 -4.90 120.64 111.57 3mwc n GLU 254 Ca -0.07 0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.54 3mwc n GLU 254 Cb 0.66 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 3mwc n GLU 254 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3mwc s THR 255 N -2.58 4.32 0.88 2.62 2.01 -1.26 -5.01 115.64 116.62 3mwc s THR 255 Ca -0.11 1.64 -0.11 0.00 0.31 0.00 0.00 61.69 63.42 3mwc s THR 255 Cb 0.07 -4.05 0.12 0.00 0.01 0.00 0.00 72.50 68.66 3mwc s THR 255 CO 0.80 0.01 1.11 -2.84 -0.69 0.00 0.00 174.62 173.02 3mwc s PRO 256 N 2.10 1.31 -0.11 4.92 0.02 -1.26 -4.76 135.00 137.21 3mwc s PRO 256 Ca 0.55 1.28 -0.04 0.00 0.02 0.00 0.00 61.00 62.81 3mwc s PRO 256 Cb -0.24 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3mwc s PRO 256 CO 0.22 -2.34 0.03 0.42 -0.33 0.00 0.00 177.00 175.00 3mwc s ILE 257 N -2.75 4.54 -0.05 2.83 -1.09 -1.26 -0.95 121.20 122.47 3mwc s ILE 257 Ca 0.65 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.95 3mwc s ILE 257 Cb -0.20 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3mwc s ILE 257 CO 0.58 0.57 -0.13 0.00 -1.23 0.00 0.00 174.94 174.73 3mwc s LEU 259 N -0.78 4.38 0.00 0.00 1.43 -0.55 -0.10 118.68 123.06 3mwc s LEU 259 Ca 0.12 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3mwc s LEU 259 Cb -0.11 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3mwc s LEU 259 CO 0.01 0.33 0.00 -0.67 0.23 0.00 0.00 176.35 176.25 3mwc n ASP 260 N 2.23 0.00 -0.25 2.29 -0.08 -1.26 -0.63 116.55 118.84 3mwc n ASP 260 Ca -0.17 0.00 0.23 0.00 -1.51 0.00 0.00 54.79 53.34 3mwc n ASP 260 Cb 0.54 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.58 3mwc n ASP 260 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3mwc h GLU 261 N 0.00 0.27 0.00 -0.67 3.07 -1.94 -1.29 114.58 114.02 3mwc h GLU 261 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3mwc h GLU 261 Cb 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3mwc h GLU 261 CO 0.00 0.18 -0.11 0.77 -1.40 0.00 0.00 179.01 178.45 3mwc h SER 262 N 0.27 0.00 -1.71 1.42 0.02 -1.91 -3.38 113.55 108.27 3mwc h SER 262 Ca 0.50 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.71 3mwc h SER 262 Cb 1.46 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.85 3mwc h SER 262 CO -0.15 0.11 1.71 0.18 -1.14 0.00 0.00 176.83 177.54 3mwc n LEU 263 N -4.33 5.55 0.00 5.07 4.77 -0.49 -4.74 117.00 122.84 3mwc n LEU 263 Ca -0.03 -4.40 0.12 0.00 -0.03 0.00 0.00 56.01 51.67 3mwc n LEU 263 Cb 0.18 -1.61 0.20 0.00 -2.33 0.00 0.00 43.42 39.86 3mwc n LEU 263 CO 0.35 0.79 0.37 2.30 -1.33 0.00 0.00 177.39 179.87 3mwc n ILE 264 N 4.63 0.02 -3.64 -0.08 -5.35 -1.26 -4.73 119.36 108.96 3mwc n ILE 264 Ca 0.40 -0.02 -0.05 0.00 -0.27 0.00 0.00 62.75 62.80 3mwc n ILE 264 Cb 0.42 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 3mwc n ILE 264 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3mwc s SER 265 N -3.09 -0.26 0.32 7.28 1.04 -1.26 -4.35 113.70 113.38 3mwc s SER 265 Ca 0.10 -0.22 0.12 0.00 0.48 0.00 0.00 55.95 56.43 3mwc s SER 265 Cb 0.17 0.43 0.54 0.00 0.10 0.00 0.00 66.02 67.26 3mwc s SER 265 CO 0.72 -0.76 1.72 0.77 0.98 0.00 0.00 173.24 176.67 3mwc h SER 266 N 2.00 0.00 -0.68 7.02 4.64 -1.91 -1.38 113.55 123.23 3mwc h SER 266 Ca -0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 3mwc h SER 266 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3mwc h SER 266 CO 0.28 0.49 0.19 0.03 -0.87 0.00 0.00 176.83 176.96 3mwc h ARG 267 N 0.00 1.09 -0.37 4.77 3.08 -1.98 -0.38 114.38 120.60 3mwc h ARG 267 Ca -0.00 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 3mwc h ARG 267 Cb 0.89 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3mwc h ARG 267 CO 0.06 0.95 -0.32 0.28 -1.07 0.00 0.00 179.97 179.87 3mwc h VAL 268 N 1.04 1.28 -0.78 2.04 2.07 -1.92 -3.05 116.25 116.94 3mwc h VAL 268 Ca 0.22 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3mwc h VAL 268 Cb 0.33 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 3mwc h VAL 268 CO -0.00 0.49 0.42 0.00 0.02 0.00 0.00 177.57 178.50 3mwc h ALA 269 N 0.76 1.10 -0.15 1.67 0.00 -0.79 -0.86 119.26 120.99 3mwc h ALA 269 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3mwc h ALA 269 Cb 0.90 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3mwc h ALA 269 CO 0.08 0.04 -0.34 0.93 0.00 0.00 0.00 179.25 179.96 3mwc h GLU 270 N 0.71 -0.38 0.00 0.00 5.08 -0.97 0.12 114.58 119.14 3mwc h GLU 270 Ca 0.38 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 3mwc h GLU 270 Cb 0.37 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3mwc h GLU 270 CO -0.26 -0.26 -0.50 0.27 -1.00 0.00 0.00 179.01 177.27 3mwc h PHE 271 N -0.40 0.00 -0.42 4.33 -5.15 -1.48 -1.78 116.94 112.05 3mwc h PHE 271 Ca 0.10 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.81 3mwc h PHE 271 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.71 3mwc h PHE 271 CO -0.43 0.50 0.01 0.28 -2.00 0.00 0.00 178.31 176.67 3mwc h VAL 272 N 0.00 1.22 -0.14 0.88 2.07 -0.88 -0.32 116.25 119.09 3mwc h VAL 272 Ca -0.00 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3mwc h VAL 272 Cb 1.37 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3mwc h VAL 272 CO 0.06 0.31 -0.11 0.00 0.02 0.00 0.00 177.57 177.86 3mwc h ALA 273 N 1.37 0.20 -0.82 1.67 0.00 -0.56 -2.84 119.26 118.27 3mwc h ALA 273 Ca 0.13 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3mwc h ALA 273 Cb 0.39 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3mwc h ALA 273 CO 0.01 0.05 0.46 -0.22 0.00 0.00 0.00 179.25 179.55 3mwc h LYS 274 N -0.05 0.72 -0.00 0.00 1.63 -1.15 -2.50 116.57 115.23 3mwc h LYS 274 Ca 0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3mwc h LYS 274 Cb 0.62 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3mwc h LYS 274 CO 0.03 0.48 -0.03 1.28 -3.45 0.00 0.00 179.45 177.76 3mwc n LEU 275 N -4.77 0.06 -3.69 5.20 4.77 -0.15 -4.93 117.00 113.49 3mwc n LEU 275 Ca 0.14 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.20 3mwc n LEU 275 Cb 0.31 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3mwc n LEU 275 CO 0.26 0.01 0.12 0.61 -1.33 0.00 0.00 177.39 177.06 3mwc n GLY 276 N 1.37 -0.45 0.26 -0.72 0.00 -0.94 -4.92 105.19 99.79 3mwc n GLY 276 Ca 0.11 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3mwc n GLY 276 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mwc h ILE 277 N -2.22 1.24 -2.19 -0.61 1.08 -1.80 -3.47 117.51 109.54 3mwc h ILE 277 Ca -0.58 -0.87 -0.06 0.00 -0.39 0.00 0.00 64.86 62.95 3mwc h ILE 277 Cb 1.36 0.79 -0.21 0.00 -3.07 0.00 0.00 36.82 35.69 3mwc h ILE 277 CO 0.59 0.32 0.06 -0.55 -0.69 0.00 0.00 178.15 177.88 3mwc s SER 278 N -6.20 -0.63 0.00 1.72 0.15 -1.26 -4.02 113.70 103.46 3mwc s SER 278 Ca -0.13 1.04 0.23 0.00 0.70 0.00 0.00 55.95 57.80 3mwc s SER 278 Cb 0.12 1.02 0.45 0.00 -1.71 0.00 0.00 66.02 65.90 3mwc s SER 278 CO 0.80 -0.35 1.42 -3.20 1.20 0.00 0.00 173.24 173.11 3mwc n ASN 279 N 2.11 3.53 -3.70 5.45 5.15 -1.26 -4.85 115.26 121.69 3mwc n ASN 279 Ca -0.16 -2.00 -0.22 0.00 -0.60 0.00 0.00 54.58 51.60 3mwc n ASN 279 Cb 0.56 -0.27 -0.18 0.00 -0.53 0.00 0.00 39.78 39.36 3mwc n ASN 279 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mwc s ILE 280 N -1.46 0.09 -0.05 -1.44 1.01 -1.26 -0.99 121.20 117.09 3mwc s ILE 280 Ca 0.40 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.28 3mwc s ILE 280 Cb 0.23 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 3mwc s ILE 280 CO 0.32 0.10 -0.24 0.26 0.00 0.00 0.00 174.94 175.38 3mwc s TRP 281 N 2.08 2.44 -0.02 3.97 0.51 -0.24 -1.47 118.94 126.20 3mwc s TRP 281 Ca 0.04 -0.61 -0.14 0.00 -2.12 0.00 0.00 56.10 53.28 3mwc s TRP 281 Cb -0.13 -1.58 -0.05 0.00 -0.81 0.00 0.00 33.47 30.89 3mwc s TRP 281 CO -0.05 -0.14 0.36 1.21 -0.51 0.00 0.00 176.95 177.82 3mwc s ASN 282 N -0.30 6.73 -0.22 2.95 3.84 0.19 -2.21 114.94 125.92 3mwc s ASN 282 Ca 0.01 0.87 -0.02 0.00 0.21 0.00 0.00 52.86 53.93 3mwc s ASN 282 Cb -0.13 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 3mwc s ASN 282 CO 0.02 0.33 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.95 3mwc s ILE 283 N -1.01 2.89 -0.16 -5.21 1.01 -0.45 -4.73 121.20 113.55 3mwc s ILE 283 Ca 0.22 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3mwc s ILE 283 Cb -0.16 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3mwc s ILE 283 CO 0.12 0.35 -0.17 -0.54 0.00 0.00 0.00 174.94 174.69 3mwc s LYS 284 N 1.37 2.62 0.20 2.79 1.02 -1.26 -1.42 119.74 125.06 3mwc s LYS 284 Ca 0.03 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 3mwc s LYS 284 Cb -0.15 -2.30 0.13 0.00 -0.52 0.00 0.00 37.83 34.99 3mwc s LYS 284 CO -0.06 -0.19 1.82 0.82 -0.92 0.00 0.00 175.35 176.82 3mwc h ILE 285 N 5.98 1.21 -0.95 2.17 2.04 -1.89 -1.97 117.51 124.10 3mwc h ILE 285 Ca -0.40 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3mwc h ILE 285 Cb 1.15 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3mwc h ILE 285 CO 0.57 0.23 0.57 1.56 0.00 0.00 0.00 178.15 181.09 3mwc h GLN 286 N 0.96 1.29 -0.76 2.37 1.08 -1.91 -1.16 115.11 116.98 3mwc h GLN 286 Ca 0.25 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3mwc h GLN 286 Cb 0.03 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.15 3mwc h GLN 286 CO -0.04 0.90 0.33 -0.09 -0.95 0.00 0.00 178.83 178.98 3mwc h ARG 287 N 1.31 1.10 -0.02 1.46 2.43 -1.71 -2.81 114.38 116.15 3mwc h ARG 287 Ca 0.34 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3mwc h ARG 287 Cb -0.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3mwc h ARG 287 CO -0.06 0.87 -0.05 1.33 -1.51 0.00 0.00 179.97 180.55 3mwc n VAL 288 N -4.30 0.00 -1.32 0.20 0.24 -1.01 -4.84 118.33 107.30 3mwc n VAL 288 Ca 0.07 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3mwc n VAL 288 Cb 0.16 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 3mwc n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mwc n GLY 289 N 1.23 0.61 0.00 7.63 0.00 -0.73 -4.82 105.19 109.10 3mwc n GLY 289 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3mwc n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwc n GLY 290 N -1.69 1.56 0.16 -0.02 0.00 -0.52 -3.70 105.19 100.99 3mwc n GLY 290 Ca 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 3mwc n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mwc h LEU 291 N 0.00 0.67 -0.52 0.99 5.85 -1.91 -2.19 115.31 118.20 3mwc h LEU 291 Ca 0.00 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3mwc h LEU 291 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3mwc h LEU 291 CO 0.00 1.38 0.22 0.25 -0.34 0.00 0.00 178.44 179.96 3mwc h LEU 292 N 0.26 0.70 -0.45 2.25 5.85 -1.97 0.18 115.31 122.13 3mwc h LEU 292 Ca -0.12 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3mwc h LEU 292 Cb 1.72 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 3mwc h LEU 292 CO 0.19 0.66 0.27 -0.08 -0.34 0.00 0.00 178.44 179.15 3mwc h GLU 293 N 0.70 0.61 -0.69 1.25 4.57 -1.88 0.51 114.58 119.65 3mwc h GLU 293 Ca 0.18 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.37 3mwc h GLU 293 Cb 0.17 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 3mwc h GLU 293 CO -0.02 0.45 0.38 0.00 -1.18 0.00 0.00 179.01 178.65 3mwc h ALA 294 N 1.13 0.94 -0.48 2.92 0.00 -0.86 -0.95 119.26 121.95 3mwc h ALA 294 Ca 0.16 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3mwc h ALA 294 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mwc h ALA 294 CO -0.03 0.05 0.00 0.82 0.00 0.00 0.00 179.25 180.10 3mwc h ILE 295 N 0.70 1.24 -0.58 0.00 2.04 0.07 0.05 117.51 121.03 3mwc h ILE 295 Ca 0.32 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3mwc h ILE 295 Cb 0.22 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3mwc h ILE 295 CO -0.20 0.35 0.07 0.11 0.00 0.00 0.00 178.15 178.49 3mwc h LYS 296 N 0.74 0.94 -0.39 2.37 1.57 -0.29 -1.42 116.57 120.09 3mwc h LYS 296 Ca 0.14 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3mwc h LYS 296 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3mwc h LYS 296 CO 0.02 0.89 -0.03 0.82 -0.57 0.00 0.00 179.45 180.58 3mwc h ILE 297 N 0.89 1.27 -0.65 1.86 2.04 -0.91 -2.49 117.51 119.51 3mwc h ILE 297 Ca 0.18 -1.06 0.13 0.00 1.00 0.00 0.00 64.86 65.10 3mwc h ILE 297 Cb 0.42 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3mwc h ILE 297 CO 0.01 0.36 0.15 0.22 0.00 0.00 0.00 178.15 178.89 3mwc h TYR 298 N 0.53 0.23 -0.62 1.37 3.20 -0.66 0.16 116.97 121.19 3mwc h TYR 298 Ca 0.11 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3mwc h TYR 298 Cb 0.52 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3mwc h TYR 298 CO 0.04 -0.04 0.30 -0.22 -1.64 0.00 0.00 178.16 176.60 3mwc h LYS 299 N 0.27 0.88 -0.19 1.82 3.64 -1.10 -0.81 116.57 121.08 3mwc h LYS 299 Ca 0.35 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3mwc h LYS 299 Cb 0.54 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3mwc h LYS 299 CO -0.44 0.70 0.06 0.82 -2.27 0.00 0.00 179.45 178.32 3mwc h ILE 300 N 0.84 1.19 0.08 2.00 2.04 -0.92 0.52 117.51 123.26 3mwc h ILE 300 Ca 0.21 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3mwc h ILE 300 Cb 0.10 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3mwc h ILE 300 CO -0.03 0.18 -0.15 0.00 0.00 0.00 0.00 178.15 178.16 3mwc h ALA 301 N 0.88 -0.24 0.00 1.87 0.00 -0.87 -2.46 119.26 118.45 3mwc h ALA 301 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3mwc h ALA 301 Cb 0.23 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3mwc h ALA 301 CO -0.00 -0.67 -0.42 1.79 0.00 0.00 0.00 179.25 179.95 3mwc h THR 302 N -0.29 1.05 0.00 0.00 1.35 -1.02 0.50 112.91 114.50 3mwc h THR 302 Ca 0.03 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3mwc h THR 302 Cb 0.31 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3mwc h THR 302 CO -0.09 0.41 -0.10 0.44 -0.25 0.00 0.00 175.52 175.93 3mwc h ASP 303 N 0.00 0.00 -0.37 5.36 3.32 -0.72 -3.19 116.42 120.82 3mwc h ASP 303 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mwc h ASP 303 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3mwc h ASP 303 CO 0.05 0.10 0.00 0.59 -1.72 0.00 0.00 179.24 178.27 3mwc n ASN 304 N -4.37 3.00 -0.42 6.45 3.02 -0.02 -4.95 115.26 117.96 3mwc n ASN 304 Ca -0.03 -2.00 -0.05 0.00 -0.03 0.00 0.00 54.58 52.47 3mwc n ASN 304 Cb 0.18 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3mwc n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mwc n GLY 305 N 0.60 0.80 3.72 7.41 0.00 -0.59 -4.99 105.19 112.14 3mwc n GLY 305 Ca 0.12 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3mwc n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mwc s ILE 306 N -2.17 4.93 0.21 -0.61 1.01 -0.09 -5.01 121.20 119.47 3mwc s ILE 306 Ca 0.00 1.71 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 3mwc s ILE 306 Cb 0.00 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3mwc s ILE 306 CO 0.00 0.23 0.83 -0.54 0.00 0.00 0.00 174.94 175.46 3mwc s LYS 307 N 0.75 4.58 0.23 2.79 1.02 -0.16 -4.36 119.74 124.60 3mwc s LYS 307 Ca 0.43 1.21 0.11 0.00 0.02 0.00 0.00 55.97 57.74 3mwc s LYS 307 Cb -0.19 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3mwc s LYS 307 CO 0.23 0.49 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.44 3mwc s LEU 308 N -1.42 2.59 0.04 3.17 1.43 -1.07 -1.08 118.68 122.35 3mwc s LEU 308 Ca 0.40 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 3mwc s LEU 308 Cb -0.22 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.79 3mwc s LEU 308 CO 0.26 0.08 0.30 -1.66 0.23 0.00 0.00 176.35 175.56 3mwc s TRP 309 N -2.03 -0.10 -0.02 0.29 1.48 -0.94 -1.16 118.94 116.48 3mwc s TRP 309 Ca 0.25 -0.04 -0.05 0.00 -1.06 0.00 0.00 56.10 55.20 3mwc s TRP 309 Cb -0.07 0.09 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 3mwc s TRP 309 CO 0.13 -0.50 0.22 0.20 -4.06 0.00 0.00 176.95 172.94 3mwc s GLY 310 N -2.05 2.21 0.27 3.67 0.00 -1.26 -1.34 107.32 108.81 3mwc s GLY 310 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.04 3mwc s GLY 310 CO -0.03 -0.48 0.08 -0.32 0.00 0.00 0.00 173.10 172.35 3mwc s GLY 311 N -1.69 1.77 0.12 0.20 0.00 -0.51 -1.41 107.32 105.81 3mwc s GLY 311 Ca 0.26 -1.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 3mwc s GLY 311 CO 0.15 -1.64 0.04 -0.51 0.00 0.00 0.00 173.10 171.15 3mwc s THR 312 N -3.64 0.15 0.11 0.90 -4.23 -1.08 -4.40 115.64 103.45 3mwc s THR 312 Ca 0.36 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.80 3mwc s THR 312 Cb 0.08 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 3mwc s THR 312 CO 0.13 -0.52 1.59 0.24 -0.54 0.00 0.00 174.62 175.52 3mwc h MET 313 N 2.89 0.53 -6.43 3.99 2.86 -1.94 -3.46 114.93 113.36 3mwc h MET 313 Ca -0.35 -0.13 -0.46 0.00 -2.06 0.00 0.00 59.70 56.69 3mwc h MET 313 Cb 1.19 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.80 3mwc h MET 313 CO 0.60 0.60 -0.26 -1.25 1.06 0.00 0.00 176.91 177.66 3mwc s PRO 314 N -5.23 3.31 0.00 -0.22 0.04 -1.26 -5.16 135.00 126.48 3mwc s PRO 314 Ca -0.13 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.29 3mwc s PRO 314 Cb 0.09 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3mwc s PRO 314 CO 0.75 0.12 0.00 0.39 0.04 0.00 0.00 177.00 178.30 3mwc n GLU 315 N -1.72 0.92 -1.75 4.56 4.71 -1.26 -5.03 120.64 121.06 3mwc n GLU 315 Ca -0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.82 3mwc n GLU 315 Cb 0.57 0.00 0.14 0.00 -1.01 0.00 0.00 31.44 31.15 3mwc n GLU 315 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3mwc s SER 316 N -1.00 3.51 0.55 1.62 1.04 -1.26 -4.84 113.70 113.33 3mwc s SER 316 Ca 0.00 0.65 0.34 0.00 0.48 0.00 0.00 55.95 57.41 3mwc s SER 316 Cb 0.00 -0.99 1.49 0.00 0.10 0.00 0.00 66.02 66.61 3mwc s SER 316 CO 0.00 -2.52 1.81 1.23 0.98 0.00 0.00 173.24 174.75 3mwc h GLY 317 N -1.48 0.00 0.66 7.32 0.00 -1.92 -2.51 103.07 105.13 3mwc h GLY 317 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3mwc h GLY 317 CO 0.53 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.95 3mwc h LEU 318 N 0.00 -0.30 -0.77 3.11 5.85 -1.92 -2.24 115.31 119.05 3mwc h LEU 318 Ca 0.46 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3mwc h LEU 318 Cb 1.97 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 43.01 3mwc h LEU 318 CO -0.00 0.07 0.44 1.23 -0.34 0.00 0.00 178.44 179.83 3mwc h GLY 319 N -0.70 1.17 0.84 3.75 0.00 -1.82 -2.18 103.07 104.13 3mwc h GLY 319 Ca -0.04 -0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.12 3mwc h GLY 319 CO 0.06 0.15 0.47 0.00 0.00 0.00 0.00 176.54 177.21 3mwc h ALA 320 N 1.42 2.03 -0.85 3.60 0.00 -1.36 -2.52 119.26 121.57 3mwc h ALA 320 Ca 0.36 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.40 3mwc h ALA 320 Cb 0.29 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 3mwc h ALA 320 CO -0.22 -0.20 0.46 0.00 0.00 0.00 0.00 179.25 179.29 3mwc h ARG 321 N 0.46 0.68 -0.56 0.00 2.47 -0.76 0.14 114.38 116.81 3mwc h ARG 321 Ca 0.34 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 3mwc h ARG 321 Cb 0.68 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 3mwc h ARG 321 CO -0.11 0.45 0.31 0.74 0.56 0.00 0.00 179.97 181.92 3mwc h PHE 322 N 0.70 0.77 -0.43 3.04 0.04 -1.55 -2.65 116.94 116.86 3mwc h PHE 322 Ca 0.45 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 61.07 3mwc h PHE 322 Cb 0.56 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3mwc h PHE 322 CO -0.07 0.56 -0.25 1.25 -0.60 0.00 0.00 178.31 179.20 3mwc h LEU 323 N 0.76 0.93 -0.51 1.54 5.85 -1.40 -3.09 115.31 119.38 3mwc h LEU 323 Ca 0.20 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3mwc h LEU 323 Cb 0.04 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3mwc h LEU 323 CO -0.03 1.12 0.32 0.40 -0.34 0.00 0.00 178.44 179.92 3mwc h ILE 324 N 0.77 1.10 -0.02 4.05 2.04 -0.44 0.45 117.51 125.46 3mwc h ILE 324 Ca 0.10 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3mwc h ILE 324 Cb 0.81 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3mwc h ILE 324 CO 0.07 0.12 0.01 0.28 0.00 0.00 0.00 178.15 178.62 3mwc h SER 325 N 0.66 0.03 -0.50 1.72 0.02 -1.54 -3.19 113.55 110.75 3mwc h SER 325 Ca 0.20 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3mwc h SER 325 Cb -0.04 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3mwc h SER 325 CO -0.06 0.24 0.25 0.25 -1.14 0.00 0.00 176.83 176.37 3mwc h LEU 326 N -0.18 0.35 0.00 5.07 5.85 -1.38 -3.10 115.31 121.92 3mwc h LEU 326 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3mwc h LEU 326 Cb 0.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3mwc h LEU 326 CO -0.00 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 3mwc n ALA 327 N -2.33 2.32 0.93 1.25 0.00 0.16 -2.83 120.51 119.99 3mwc n ALA 327 Ca 0.04 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3mwc n ALA 327 Cb 0.14 -1.39 0.44 0.00 0.00 0.00 0.00 19.45 18.64 3mwc n ALA 327 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mwc n SER 328 N -1.12 0.30 -4.79 0.00 3.41 -1.17 -4.69 113.62 105.57 3mwc n SER 328 Ca 0.15 0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 3mwc n SER 328 Cb 0.13 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3mwc n SER 328 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mwc s PHE 329 N -3.02 2.78 0.54 7.33 0.08 -1.13 -1.39 117.98 123.18 3mwc s PHE 329 Ca 0.12 1.52 0.23 0.00 0.12 0.00 0.00 56.93 58.92 3mwc s PHE 329 Cb 0.17 -3.03 1.41 0.00 -0.57 0.00 0.00 43.02 41.01 3mwc s PHE 329 CO 0.61 -1.52 2.06 -0.09 -0.10 0.00 0.00 175.22 176.18 3mwc h ARG 330 N -0.48 0.00 -0.18 0.44 2.43 -0.70 -1.67 114.38 114.23 3mwc h ARG 330 Ca -0.45 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 3mwc h ARG 330 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3mwc h ARG 330 CO 0.54 0.00 0.17 0.78 -1.51 0.00 0.00 179.97 179.95 3mwc h GLY 331 N 0.00 0.00 -6.86 2.80 0.00 -1.84 -3.39 103.07 93.77 3mwc h GLY 331 Ca 0.15 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.85 3mwc h GLY 331 CO -0.00 0.00 0.28 -1.36 0.00 0.00 0.00 176.54 175.46 3mwc s PHE 332 N -4.74 3.09 -0.01 5.60 0.08 -0.63 -2.60 117.98 118.76 3mwc s PHE 332 Ca -0.05 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.34 3mwc s PHE 332 Cb 0.16 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3mwc s PHE 332 CO 0.59 -0.78 0.62 1.33 -0.10 0.00 0.00 175.22 176.88 3mwc n VAL 333 N 5.83 0.23 -4.24 -0.44 0.24 -0.31 -4.90 118.33 114.75 3mwc n VAL 333 Ca 0.01 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.34 61.54 3mwc n VAL 333 Cb 0.48 0.89 -0.11 0.00 -1.47 0.00 0.00 33.84 33.63 3mwc n VAL 333 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3mwc s PHE 334 N -0.24 1.29 0.51 6.34 0.08 -1.24 -5.06 117.98 119.67 3mwc s PHE 334 Ca 0.00 -0.65 -0.22 0.00 0.12 0.00 0.00 56.93 56.18 3mwc s PHE 334 Cb 0.00 -0.67 -0.07 0.00 -0.57 0.00 0.00 43.02 41.72 3mwc s PHE 334 CO 0.00 0.10 1.20 -2.30 -0.10 0.00 0.00 175.22 174.12 3mwc n PRO 335 N 0.22 1.52 -3.49 0.24 -0.02 -1.26 -4.57 135.00 127.63 3mwc n PRO 335 Ca -0.13 0.56 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 3mwc n PRO 335 Cb 0.59 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3mwc n PRO 335 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mwc s ALA 336 N -1.32 3.74 -0.70 3.55 0.00 -0.16 -4.56 121.76 122.30 3mwc s ALA 336 Ca 0.69 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 3mwc s ALA 336 Cb -0.46 -2.06 0.10 0.00 0.00 0.00 0.00 23.12 20.71 3mwc s ALA 336 CO 0.52 0.08 0.89 -0.51 0.00 0.00 0.00 175.76 176.74 3mwc s ASP 337 N -3.89 6.31 -0.06 0.00 1.01 -0.50 -1.08 116.67 118.46 3mwc s ASP 337 Ca 0.39 -1.47 0.00 0.00 0.71 0.00 0.00 52.55 52.18 3mwc s ASP 337 Cb -0.10 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.50 3mwc s ASP 337 CO 0.34 -1.20 -0.03 -0.69 0.21 0.00 0.00 175.17 173.80 3mwc s VAL 338 N 3.06 0.52 -0.07 -1.27 1.01 -1.26 -2.65 120.40 119.73 3mwc s VAL 338 Ca 0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3mwc s VAL 338 Cb -0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3mwc s VAL 338 CO 0.03 0.24 1.36 0.00 0.00 0.00 0.00 175.10 176.73 3mwc s ALA 339 N 1.25 3.60 -0.10 5.51 0.00 -1.26 -4.88 121.76 125.87 3mwc s ALA 339 Ca -0.06 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3mwc s ALA 339 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3mwc s ALA 339 CO -0.02 -1.04 1.53 0.00 0.00 0.00 0.00 175.76 176.23 3mwc s ALA 340 N 2.98 3.60 0.19 0.00 0.00 -1.26 -4.83 121.76 122.44 3mwc s ALA 340 Ca 0.61 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 3mwc s ALA 340 Cb -0.27 -3.72 0.10 0.00 0.00 0.00 0.00 23.12 19.24 3mwc s ALA 340 CO 0.22 -1.37 1.56 0.77 0.00 0.00 0.00 175.76 176.94 3mwc h SER 341 N 9.22 -1.59 -0.90 0.00 0.02 -1.59 -2.60 113.55 116.11 3mwc h SER 341 Ca -0.35 0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3mwc h SER 341 Cb 1.15 0.76 -0.06 0.00 0.14 0.00 0.00 62.40 64.39 3mwc h SER 341 CO 0.96 -0.29 0.56 -0.08 -1.14 0.00 0.00 176.83 176.84 3mwc h GLU 342 N -0.08 0.99 0.28 3.45 4.22 -1.79 -0.45 114.58 121.19 3mwc h GLU 342 Ca 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 3mwc h GLU 342 Cb 0.55 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3mwc h GLU 342 CO -0.86 0.66 -0.15 -0.22 -2.18 0.00 0.00 179.01 176.26 3mwc h LYS 343 N 1.02 -0.38 0.02 1.92 3.11 -1.79 -1.69 116.57 118.78 3mwc h LYS 343 Ca 0.39 0.03 -0.27 0.00 -2.81 0.00 0.00 60.65 57.99 3mwc h LYS 343 Cb 0.18 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 3mwc h LYS 343 CO -0.18 -0.26 -1.48 -1.49 -2.81 0.00 0.00 179.45 173.24 3mwc h TRP 344 N -0.40 0.09 0.00 1.91 4.06 -1.37 -3.40 115.95 116.85 3mwc h TRP 344 Ca -0.03 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3mwc h TRP 344 Cb 0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3mwc h TRP 344 CO -0.07 1.10 -0.56 0.66 -3.56 0.00 0.00 178.44 176.00 3mwc n TYR 345 N -3.22 0.00 0.00 0.49 4.01 -0.23 0.10 117.16 118.31 3mwc n TYR 345 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3mwc n TYR 345 Cb 1.02 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3mwc n TYR 345 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mwc n GLY 346 N 1.68 0.52 3.72 2.72 0.00 -0.64 -4.62 105.19 108.58 3mwc n GLY 346 Ca 0.00 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 3mwc n GLY 346 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mwc n LYS 347 N 0.84 2.54 -0.49 1.61 4.81 -1.26 -2.12 118.16 124.10 3mwc n LYS 347 Ca 0.00 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 3mwc n LYS 347 Cb 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.39 3mwc n LYS 347 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mwc n GLY 348 N 2.33 1.15 0.14 3.14 0.00 -1.26 -4.85 105.19 105.84 3mwc n GLY 348 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3mwc n GLY 348 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mwc h ASN 349 N 0.00 0.00 -3.93 1.61 2.35 -1.70 -3.46 115.58 110.45 3mwc h ASN 349 Ca 0.00 -0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.27 3mwc h ASN 349 Cb 0.00 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.53 3mwc h ASN 349 CO 0.00 0.00 0.20 -0.62 -1.65 0.00 0.00 177.43 175.36 3mwc s ASP 350 N -5.53 2.88 0.13 5.81 -1.08 -1.26 -4.95 116.67 112.67 3mwc s ASP 350 Ca 0.02 1.52 -0.15 0.00 -0.52 0.00 0.00 52.55 53.42 3mwc s ASP 350 Cb 0.09 -2.19 -0.01 0.00 -1.46 0.00 0.00 42.92 39.35 3mwc s ASP 350 CO 0.75 -3.02 1.62 0.25 0.52 0.00 0.00 175.17 175.30 3mwc h LEU 351 N -1.81 0.64 -8.39 -1.34 5.85 -1.95 -3.42 115.31 104.88 3mwc h LEU 351 Ca -0.52 -0.25 -0.28 0.00 0.84 0.00 0.00 57.88 57.68 3mwc h LEU 351 Cb 1.30 -0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.98 3mwc h LEU 351 CO 0.53 0.72 -0.72 0.68 -0.34 0.00 0.00 178.44 179.31 3mwc s VAL 352 N -5.24 0.77 -0.23 1.05 -7.23 -1.26 -4.78 120.40 103.49 3mwc s VAL 352 Ca -0.13 -1.62 -0.17 0.00 -1.81 0.00 0.00 61.98 58.25 3mwc s VAL 352 Cb 0.10 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3mwc s VAL 352 CO 0.78 -0.63 0.47 -0.70 -0.31 0.00 0.00 175.10 174.71 3mwc s GLU 353 N -2.88 4.13 -0.18 4.82 2.56 -1.26 -4.28 118.70 121.61 3mwc s GLU 353 Ca 0.04 0.29 -0.01 0.00 0.00 0.00 0.00 54.97 55.30 3mwc s GLU 353 Cb -0.02 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.52 3mwc s GLU 353 CO -0.01 -0.20 -0.13 -0.80 -0.56 0.00 0.00 175.26 173.55 3mwc s ASN 354 N 1.30 3.73 -0.17 -1.70 0.01 -1.26 -5.00 114.94 111.85 3mwc s ASN 354 Ca 0.21 -0.49 -0.05 0.00 -0.71 0.00 0.00 52.86 51.82 3mwc s ASN 354 Cb -0.15 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.88 3mwc s ASN 354 CO 0.09 0.03 -0.01 0.42 -1.51 0.00 0.00 177.10 176.12 3mwc s THR 355 N 1.14 4.06 -0.27 1.60 -4.23 -1.26 -1.39 115.64 115.29 3mwc s THR 355 Ca 0.01 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 3mwc s THR 355 Cb -0.14 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 3mwc s THR 355 CO -0.05 0.47 0.21 -0.32 -0.54 0.00 0.00 174.62 174.39 3mwc s MET 356 N 0.54 3.99 -0.12 3.99 1.75 -1.26 -4.36 119.30 123.83 3mwc s MET 356 Ca -0.01 -0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.19 3mwc s MET 356 Cb -0.14 -3.63 0.01 0.00 2.84 0.00 0.00 34.83 33.92 3mwc s MET 356 CO 0.02 -0.13 -0.16 0.99 -0.65 0.00 0.00 175.02 175.09 3mwc s THR 357 N 1.63 1.58 -1.56 10.11 2.01 -0.05 -4.73 115.64 124.62 3mwc s THR 357 Ca 0.08 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 3mwc s THR 357 Cb -0.15 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.94 3mwc s THR 357 CO 0.09 0.46 0.12 -0.67 -0.69 0.00 0.00 174.62 173.93 3mwc n ASP 358 N 4.25 0.51 -1.04 3.53 2.03 -1.26 -0.45 116.55 124.12 3mwc n ASP 358 Ca -0.19 -1.23 -0.14 0.00 0.52 0.00 0.00 54.79 53.75 3mwc n ASP 358 Cb 0.51 -1.82 -0.06 0.00 -0.72 0.00 0.00 41.12 39.04 3mwc n ASP 358 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mwc n GLY 359 N -2.37 1.42 3.26 0.27 0.00 -1.16 -4.94 105.19 101.67 3mwc n GLY 359 Ca -0.29 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3mwc n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mwc s LYS 360 N -3.12 1.65 -0.20 1.61 1.02 0.40 -1.04 119.74 120.06 3mwc s LYS 360 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 3mwc s LYS 360 Cb 0.00 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 3mwc s LYS 360 CO 0.00 0.45 -0.11 0.42 -0.92 0.00 0.00 175.35 175.18 3mwc s ILE 361 N -0.65 2.77 0.34 2.17 1.01 -0.24 -0.87 121.20 125.73 3mwc s ILE 361 Ca 0.09 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 3mwc s ILE 361 Cb -0.09 -2.23 -0.10 0.00 0.01 0.00 0.00 42.46 40.06 3mwc s ILE 361 CO 0.00 0.47 0.99 -0.31 0.00 0.00 0.00 174.94 176.10 3mwc s TYR 362 N 1.39 3.56 -0.08 3.97 2.02 -1.26 -0.67 117.35 126.28 3mwc s TYR 362 Ca 0.05 1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 58.19 3mwc s TYR 362 Cb -0.14 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 3mwc s TYR 362 CO -0.08 -0.12 1.10 0.08 -1.57 0.00 0.00 175.55 174.96 3mwc s VAL 363 N -1.57 4.53 0.46 0.71 1.01 -0.13 -4.91 120.40 120.50 3mwc s VAL 363 Ca 0.52 1.82 -0.24 0.00 0.00 0.00 0.00 61.98 64.07 3mwc s VAL 363 Cb -0.21 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 3mwc s VAL 363 CO 0.27 0.01 1.31 -2.65 0.00 0.00 0.00 175.10 174.04 3mwc n PRO 364 N 5.05 1.92 0.00 2.72 -0.02 -1.26 -4.93 135.00 138.48 3mwc n PRO 364 Ca 0.10 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 3mwc n PRO 364 Cb 0.48 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3mwc n PRO 364 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mwc n ASP 365 N -0.17 1.24 -4.79 2.55 5.68 -1.26 -4.78 116.55 115.02 3mwc n ASP 365 Ca 0.07 -1.12 -0.29 0.00 -0.50 0.00 0.00 54.79 52.95 3mwc n ASP 365 Cb 0.41 0.65 0.12 0.00 -1.14 0.00 0.00 41.12 41.16 3mwc n ASP 365 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3mwc s GLU 366 N -1.96 1.44 0.12 0.11 2.02 -1.26 -4.42 118.70 114.75 3mwc s GLU 366 Ca 0.10 0.41 -0.31 0.00 0.02 0.00 0.00 54.97 55.19 3mwc s GLU 366 Cb 0.11 -1.86 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 3mwc s GLU 366 CO 0.44 -2.02 1.33 -2.14 0.02 0.00 0.00 175.26 172.89 3mwc s PRO 367 N -5.23 4.36 3.41 0.39 0.02 -1.26 -4.19 135.00 132.50 3mwc s PRO 367 Ca 0.63 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3mwc s PRO 367 Cb -0.15 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3mwc s PRO 367 CO 0.54 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.26 3mwc n GLY 368 N 3.23 0.31 0.04 0.52 0.00 -0.97 -3.94 105.19 104.39 3mwc n GLY 368 Ca 0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 3mwc n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwc n ALA 369 N 4.57 1.83 -0.73 4.61 0.00 -1.26 -4.33 120.51 125.19 3mwc n ALA 369 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 52.90 3mwc n ALA 369 Cb 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 19.45 19.71 3mwc n ALA 369 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mwc n SER 370 N -2.32 4.03 -0.29 0.00 3.41 -1.26 -4.66 113.62 112.54 3mwc n SER 370 Ca -0.15 -2.67 0.20 0.00 -0.26 0.00 0.00 58.87 55.99 3mwc n SER 370 Cb 0.77 -0.49 0.48 0.00 -0.26 0.00 0.00 64.21 64.70 3mwc n SER 370 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3mwc h PHE 371 N 2.52 0.66 -0.55 7.33 -5.15 -1.84 -1.08 116.94 118.83 3mwc h PHE 371 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3mwc h PHE 371 Cb 1.34 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 37.31 3mwc h PHE 371 CO 0.55 0.13 0.00 -0.40 -2.00 0.00 0.00 178.31 176.59 3mwc n ASP 372 N -4.58 3.46 -4.54 -0.68 5.75 -1.26 -4.89 116.55 109.81 3mwc n ASP 372 Ca 0.22 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.58 3mwc n ASP 372 Cb 0.75 -0.36 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 3mwc n ASP 372 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3mwc s MET 373 N -1.00 3.45 0.41 0.11 1.75 -0.41 -4.97 119.30 118.63 3mwc s MET 373 Ca 0.37 -0.25 -0.21 0.00 -1.25 0.00 0.00 55.69 54.34 3mwc s MET 373 Cb 0.19 -3.88 -0.11 0.00 2.84 0.00 0.00 34.83 33.87 3mwc s MET 373 CO 0.25 -0.83 0.94 0.95 -0.65 0.00 0.00 175.02 175.67 3mwc s THR 374 N 2.62 4.39 0.28 10.11 -4.23 -1.26 -4.96 115.64 122.59 3mwc s THR 374 Ca 0.21 1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 62.18 3mwc s THR 374 Cb -0.15 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 70.31 3mwc s THR 374 CO 0.16 -0.26 1.95 0.25 -0.54 0.00 0.00 174.62 176.18 3mwc h LEU 375 N 2.08 1.04 -0.95 4.79 5.85 -1.98 -2.15 115.31 123.99 3mwc h LEU 375 Ca -0.49 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 3mwc h LEU 375 Cb 1.18 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3mwc h LEU 375 CO 0.62 0.74 -0.51 0.77 -0.34 0.00 0.00 178.44 179.72 3mwc h SER 376 N 1.22 0.00 -0.32 1.25 4.64 -1.98 -0.79 113.55 117.57 3mwc h SER 376 Ca 0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 3mwc h SER 376 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3mwc h SER 376 CO -0.08 0.51 -0.28 -0.74 -0.87 0.00 0.00 176.83 175.38 3mwc h HIS 377 N 0.00 0.96 -0.21 4.77 -0.00 -1.80 -0.62 115.15 118.25 3mwc h HIS 377 Ca -0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 3mwc h HIS 377 Cb 0.93 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 3mwc h HIS 377 CO 0.00 1.01 0.10 1.25 -0.00 0.00 0.00 177.93 180.29 3mwc h LEU 378 N 0.71 0.27 -2.01 0.26 5.85 -1.03 -1.74 115.31 117.62 3mwc h LEU 378 Ca 0.08 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3mwc h LEU 378 Cb 0.82 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3mwc h LEU 378 CO 0.07 0.32 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.09 3mwc h GLU 379 N 0.21 0.00 0.00 1.25 5.08 -0.97 -1.08 114.58 119.07 3mwc h GLU 379 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3mwc h GLU 379 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3mwc h GLU 379 CO -0.01 0.07 -0.66 0.00 -1.00 0.00 0.00 179.01 177.41 3mwc h ALA 380 N 1.93 0.62 0.00 3.43 0.00 -0.48 -3.31 119.26 121.45 3mwc h ALA 380 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mwc h ALA 380 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mwc h ALA 380 CO 0.01 0.75 -1.00 1.28 0.00 0.00 0.00 179.25 180.29 3mwc n LEU 381 N -3.22 0.68 0.00 0.00 4.32 -0.71 -5.03 117.00 113.05 3mwc n LEU 381 Ca 0.01 -0.19 -0.04 0.00 -0.02 0.00 0.00 56.01 55.77 3mwc n LEU 381 Cb 0.78 -0.08 0.02 0.00 -1.62 0.00 0.00 43.42 42.51 3mwc n LEU 381 CO 0.42 0.13 0.46 0.61 -1.22 0.00 0.00 177.39 177.78 3mwc n GLY 382 N 1.43 1.07 3.05 -0.72 0.00 -0.49 -0.39 105.19 109.14 3mwc n GLY 382 Ca 0.03 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 3mwc n GLY 382 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mwc s LYS 383 N -2.05 0.71 -0.05 1.61 1.02 -0.64 -4.46 119.74 115.89 3mwc s LYS 383 Ca 0.13 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 3mwc s LYS 383 Cb -0.03 -0.66 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 3mwc s LYS 383 CO 0.06 0.17 1.59 0.21 -0.92 0.00 0.00 175.35 176.46 3mwc s LYS 384 N -0.67 4.20 -0.00 1.68 2.20 -1.26 -0.87 119.74 125.01 3mwc s LYS 384 Ca 0.01 2.13 0.10 0.00 -0.36 0.00 0.00 55.97 57.85 3mwc s LYS 384 Cb -0.06 -3.90 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 3mwc s LYS 384 CO 0.00 -0.80 0.39 0.44 -0.36 0.00 0.00 175.35 175.03 3mwc n ILE 385 N 5.34 0.00 -3.55 5.43 -5.35 0.96 -4.94 119.36 117.25 3mwc n ILE 385 Ca 0.16 -0.25 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 3mwc n ILE 385 Cb 0.43 0.82 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 3mwc n ILE 385 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3mwc s TRP 386 N -2.17 -0.67 0.14 4.28 -0.00 -1.14 -5.00 118.94 114.37 3mwc s TRP 386 Ca 0.02 1.28 -0.24 0.00 -0.00 0.00 0.00 56.10 57.16 3mwc s TRP 386 Cb 0.08 0.38 0.07 0.00 -0.00 0.00 0.00 33.47 34.00 3mwc s TRP 386 CO 0.43 -0.54 0.64 -1.83 -0.00 0.00 0.00 176.95 175.65 3mwc s GLU 387 N -0.82 1.22 -0.18 5.86 -1.05 -1.26 -0.58 118.70 121.89 3mwc s GLU 387 Ca -0.08 -0.43 -0.28 0.00 -0.15 0.00 0.00 54.97 54.03 3mwc s GLU 387 Cb -0.01 0.56 0.08 0.00 -0.44 0.00 0.00 34.13 34.32 3mwc s GLU 387 CO 0.07 -0.53 0.73 0.45 0.95 0.00 0.00 175.26 176.94 3mwc s SER 388 N -2.68 -0.68 0.00 0.83 0.15 -0.46 -5.01 113.70 105.84 3mwc s SER 388 Ca 0.01 1.08 0.04 0.00 0.70 0.00 0.00 55.95 57.78 3mwc s SER 388 Cb -0.01 1.02 0.03 0.00 -1.71 0.00 0.00 66.02 65.35 3mwc s SER 388 CO -0.12 -0.39 0.62 0.00 1.20 0.00 0.00 173.24 174.55