#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqc s SER 7 N 0.00 2.94 -0.24 4.04 1.04 -1.26 -5.01 113.70 115.20 2pqc s SER 7 Ca 0.00 -1.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.03 2pqc s SER 7 Cb 0.00 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.00 2pqc s SER 7 CO 0.00 -0.54 0.07 -0.13 0.98 0.00 0.00 173.24 173.62 2pqc s ARG 8 N -3.82 0.52 0.77 4.02 1.81 -1.26 -5.01 118.95 115.98 2pqc s ARG 8 Ca 0.36 -0.57 -0.11 0.00 -1.72 0.00 0.00 55.73 53.68 2pqc s ARG 8 Cb 0.09 -1.88 0.06 0.00 -0.45 0.00 0.00 34.95 32.77 2pqc s ARG 8 CO 0.16 -0.80 1.10 -1.25 -0.68 0.00 0.00 175.30 173.83 2pqc s PRO 9 N 1.87 2.22 0.01 3.54 0.04 -1.19 -0.20 135.00 141.29 2pqc s PRO 9 Ca 0.04 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.27 2pqc s PRO 9 Cb -0.17 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 2pqc s PRO 9 CO -0.18 -1.68 0.11 0.00 0.04 0.00 0.00 177.00 175.29 2pqc s ALA 10 N -2.77 -0.24 -0.08 8.56 0.00 -0.92 -0.87 121.76 125.43 2pqc s ALA 10 Ca 0.63 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2pqc s ALA 10 Cb -0.18 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2pqc s ALA 10 CO 0.54 -0.20 -0.14 0.99 0.00 0.00 0.00 175.76 176.95 2pqc s THR 11 N -1.38 1.31 -0.14 0.00 2.01 0.11 -0.89 115.64 116.67 2pqc s THR 11 Ca -0.15 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 2pqc s THR 11 Cb -0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2pqc s THR 11 CO 0.01 0.40 0.15 0.00 -0.69 0.00 0.00 174.62 174.49 2pqc s ALA 12 N 0.74 3.80 0.17 7.40 0.00 0.40 -0.52 121.76 133.76 2pqc s ALA 12 Ca -0.13 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.30 2pqc s ALA 12 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2pqc s ALA 12 CO 0.03 0.44 -0.18 1.03 0.00 0.00 0.00 175.76 177.09 2pqc s ARG 13 N -0.52 1.77 0.10 0.00 0.52 -0.52 -2.09 118.95 118.21 2pqc s ARG 13 Ca 0.13 -1.36 -0.34 0.00 -0.52 0.00 0.00 55.73 53.63 2pqc s ARG 13 Cb -0.12 -2.01 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 2pqc s ARG 13 CO 0.02 0.43 1.60 1.17 0.02 0.00 0.00 175.30 178.54 2pqc n LYS 14 N 0.29 2.01 -3.86 3.54 4.81 -0.96 -4.11 118.16 119.88 2pqc n LYS 14 Ca -0.13 0.73 -0.33 0.00 -0.87 0.00 0.00 58.31 57.71 2pqc n LYS 14 Cb 0.55 -2.49 -0.05 0.00 0.02 0.00 0.00 35.03 33.06 2pqc n LYS 14 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2pqc s SER 15 N 1.43 6.40 0.00 3.14 0.15 -0.65 -4.93 113.70 119.25 2pqc s SER 15 Ca 0.82 0.39 0.28 0.00 0.70 0.00 0.00 55.95 58.15 2pqc s SER 15 Cb -0.72 -2.02 1.08 0.00 -1.71 0.00 0.00 66.02 62.65 2pqc s SER 15 CO 0.42 0.22 1.76 -1.54 1.20 0.00 0.00 173.24 175.30 2pqc n SER 16 N 0.76 1.15 0.00 5.45 3.41 -1.26 -4.78 113.62 118.35 2pqc n SER 16 Ca -0.09 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 2pqc n SER 16 Cb 0.52 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2pqc n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pqc n GLY 17 N 1.21 3.92 3.75 5.00 0.00 -1.25 -4.71 105.19 113.11 2pqc n GLY 17 Ca 0.17 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2pqc n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pqc s LEU 18 N 0.00 4.05 -0.19 0.99 1.43 -1.26 -4.72 118.68 118.99 2pqc s LEU 18 Ca 0.00 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 2pqc s LEU 18 Cb 0.00 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.28 2pqc s LEU 18 CO 0.00 0.31 0.48 -0.55 0.23 0.00 0.00 176.35 176.81 2pqc s SER 19 N -0.42 -0.54 0.00 2.29 0.15 -0.55 -0.78 113.70 113.84 2pqc s SER 19 Ca 0.10 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2pqc s SER 19 Cb -0.12 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2pqc s SER 19 CO 0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2pqc n GLY 20 N 3.39 -0.61 2.87 9.45 0.00 -0.93 -4.57 105.19 114.80 2pqc n GLY 20 Ca -0.17 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 2pqc n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pqc s THR 21 N -2.11 0.56 0.04 2.61 2.01 -1.26 -0.76 115.64 116.73 2pqc s THR 21 Ca 0.00 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2pqc s THR 21 Cb 0.00 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2pqc s THR 21 CO 0.00 0.25 -0.04 0.68 -0.69 0.00 0.00 174.62 174.81 2pqc s VAL 22 N 1.17 0.28 -0.15 3.82 -7.23 0.06 -4.96 120.40 113.38 2pqc s VAL 22 Ca -0.07 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 2pqc s VAL 22 Cb -0.14 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 2pqc s VAL 22 CO -0.01 -0.58 0.33 -0.60 -0.31 0.00 0.00 175.10 173.93 2pqc s ARG 23 N -2.07 4.27 0.35 4.82 3.52 -1.26 -0.71 118.95 127.86 2pqc s ARG 23 Ca -0.09 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 2pqc s ARG 23 Cb -0.06 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 2pqc s ARG 23 CO -0.02 0.22 0.80 -1.50 -0.81 0.00 0.00 175.30 173.99 2pqc s ILE 24 N 0.49 4.59 0.84 4.11 1.10 -1.24 -4.93 121.20 126.16 2pqc s ILE 24 Ca 0.19 1.11 -0.11 0.00 -0.51 0.00 0.00 60.65 61.32 2pqc s ILE 24 Cb -0.13 -3.61 0.10 0.00 0.15 0.00 0.00 42.46 38.96 2pqc s ILE 24 CO 0.05 -0.22 1.15 -2.84 -2.11 0.00 0.00 174.94 170.98 2pqc s PRO 25 N -3.02 1.55 0.85 3.50 0.02 -1.26 -4.63 135.00 132.01 2pqc s PRO 25 Ca 0.56 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.99 2pqc s PRO 25 Cb -0.10 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 32.72 2pqc s PRO 25 CO 0.16 -2.24 1.04 0.41 -0.33 0.00 0.00 177.00 176.05 2pqc n GLY 26 N -0.02 -0.46 3.69 0.52 0.00 -1.25 -0.79 105.19 106.89 2pqc n GLY 26 Ca 0.12 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2pqc n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pqc s ASP 27 N -2.19 6.64 0.07 1.61 2.15 0.42 -4.06 116.67 121.31 2pqc s ASP 27 Ca 0.69 2.44 -0.20 0.00 0.43 0.00 0.00 52.55 55.91 2pqc s ASP 27 Cb -0.27 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.68 2pqc s ASP 27 CO 0.55 -0.85 1.55 0.50 -0.17 0.00 0.00 175.17 176.76 2pqc h LYS 28 N 8.04 0.29 -0.37 4.34 3.64 -1.91 0.50 116.57 131.10 2pqc h LYS 28 Ca -0.42 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2pqc h LYS 28 Cb 1.20 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 2pqc h LYS 28 CO 0.92 0.44 0.10 0.77 -2.27 0.00 0.00 179.45 179.41 2pqc h SER 29 N 0.09 0.07 0.01 4.20 0.02 -2.00 -0.75 113.55 115.19 2pqc h SER 29 Ca 0.05 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 2pqc h SER 29 Cb 0.28 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2pqc h SER 29 CO 0.00 0.07 -0.46 0.40 -1.14 0.00 0.00 176.83 175.71 2pqc h ILE 30 N 0.23 1.31 -0.45 3.27 2.04 -1.96 -2.84 117.51 119.12 2pqc h ILE 30 Ca 0.17 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 2pqc h ILE 30 Cb 0.18 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2pqc h ILE 30 CO -0.20 0.52 0.17 0.28 0.00 0.00 0.00 178.15 178.92 2pqc h SER 31 N 0.42 0.62 -0.07 1.72 0.02 -0.35 0.10 113.55 116.02 2pqc h SER 31 Ca 0.03 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2pqc h SER 31 Cb 0.97 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2pqc h SER 31 CO 0.09 0.63 -0.11 0.45 -1.14 0.00 0.00 176.83 176.74 2pqc h HIS 32 N 0.58 -0.29 0.00 3.45 3.86 -1.14 -2.22 115.15 119.40 2pqc h HIS 32 Ca 0.15 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2pqc h HIS 32 Cb 0.20 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2pqc h HIS 32 CO 0.00 -0.17 -0.24 0.00 0.86 0.00 0.00 177.93 178.38 2pqc h ARG 33 N -0.16 0.00 -0.49 2.45 3.08 -1.25 -1.97 114.38 116.04 2pqc h ARG 33 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2pqc h ARG 33 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2pqc h ARG 33 CO -0.16 0.24 0.08 0.77 -1.07 0.00 0.00 179.97 179.82 2pqc h SER 34 N 0.00 0.78 -0.34 7.04 0.02 -0.20 0.15 113.55 121.00 2pqc h SER 34 Ca -0.00 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 2pqc h SER 34 Cb 0.49 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2pqc h SER 34 CO 0.03 0.84 -0.10 -0.26 -1.14 0.00 0.00 176.83 176.21 2pqc h PHE 35 N 0.69 0.75 0.15 3.45 0.04 -1.22 -0.10 116.94 120.71 2pqc h PHE 35 Ca 0.15 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2pqc h PHE 35 Cb 0.40 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2pqc h PHE 35 CO 0.03 0.84 -0.07 0.52 -0.60 0.00 0.00 178.31 179.02 2pqc h MET 36 N 0.44 -0.20 -0.22 1.51 2.86 -1.21 0.17 114.93 118.29 2pqc h MET 36 Ca 0.08 0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 2pqc h MET 36 Cb 0.60 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2pqc h MET 36 CO 0.04 0.08 -0.53 0.74 1.06 0.00 0.00 176.91 178.30 2pqc h PHE 37 N -0.47 0.78 -0.63 -0.22 0.04 -0.78 -1.72 116.94 113.94 2pqc h PHE 37 Ca -0.02 -0.27 -0.06 0.00 2.80 0.00 0.00 57.97 60.42 2pqc h PHE 37 Cb 0.37 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2pqc h PHE 37 CO 0.01 1.02 0.16 0.78 -0.60 0.00 0.00 178.31 179.68 2pqc h GLY 38 N 0.99 1.06 1.98 -1.45 0.00 -1.03 -0.42 103.07 104.20 2pqc h GLY 38 Ca 0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 2pqc h GLY 38 CO 0.10 0.59 -0.51 -1.33 0.00 0.00 0.00 176.54 175.40 2pqc h GLY 39 N 1.04 0.03 1.28 4.60 0.00 -0.72 -3.25 103.07 106.05 2pqc h GLY 39 Ca 0.20 -0.03 -0.29 0.00 0.00 0.00 0.00 47.33 47.21 2pqc h GLY 39 CO -0.00 0.03 -1.50 -2.00 0.00 0.00 0.00 176.54 173.06 2pqc h LEU 40 N 0.02 0.28-10.30 3.11 5.85 -1.04 -1.51 115.31 111.71 2pqc h LEU 40 Ca -0.00 -0.40 -0.47 0.00 0.84 0.00 0.00 57.88 57.85 2pqc h LEU 40 Cb 0.90 -0.09 0.17 0.00 0.37 0.00 0.00 40.66 42.01 2pqc h LEU 40 CO 0.07 1.33 0.19 0.00 -0.34 0.00 0.00 178.44 179.69 2pqc s ALA 41 N -2.62 1.04 0.01 1.25 0.00 -0.19 -0.04 121.76 121.20 2pqc s ALA 41 Ca -0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 2pqc s ALA 41 Cb 0.07 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2pqc s ALA 41 CO 0.84 -2.77 0.91 -1.12 0.00 0.00 0.00 175.76 173.63 2pqc s SER 42 N -3.21 7.32 0.00 0.00 0.01 0.31 -1.93 113.70 116.20 2pqc s SER 42 Ca 0.65 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2pqc s SER 42 Cb -0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2pqc s SER 42 CO 0.59 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2pqc n GLY 43 N 2.77 -1.46 3.84 3.44 0.00 -1.26 -0.90 105.19 111.61 2pqc n GLY 43 Ca 0.03 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2pqc n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pqc s GLU 44 N 0.00 3.91 -0.05 1.61 2.12 -1.26 -1.19 118.70 123.85 2pqc s GLU 44 Ca 0.00 0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.77 2pqc s GLU 44 Cb 0.00 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 2pqc s GLU 44 CO 0.00 0.68 -0.22 0.99 -0.54 0.00 0.00 175.26 176.18 2pqc s THR 45 N -1.03 1.77 -0.13 -1.70 2.01 -0.08 -3.33 115.64 113.14 2pqc s THR 45 Ca 0.23 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2pqc s THR 45 Cb -0.16 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.86 2pqc s THR 45 CO 0.13 0.50 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.21 2pqc s ARG 46 N -0.15 2.98 -0.13 4.92 0.52 -0.47 -0.34 118.95 126.28 2pqc s ARG 46 Ca -0.02 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 2pqc s ARG 46 Cb -0.12 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.96 2pqc s ARG 46 CO 0.02 0.00 -0.22 0.42 0.02 0.00 0.00 175.30 175.54 2pqc s ILE 47 N 0.78 2.11 0.06 1.52 1.01 0.78 0.08 121.20 127.53 2pqc s ILE 47 Ca -0.08 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.67 2pqc s ILE 47 Cb -0.16 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2pqc s ILE 47 CO -0.01 0.55 -0.18 0.42 0.00 0.00 0.00 174.94 175.72 2pqc s THR 48 N 0.65 2.77 0.00 2.92 -4.23 -0.37 -0.91 115.64 116.46 2pqc s THR 48 Ca -0.11 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2pqc s THR 48 Cb -0.16 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2pqc s THR 48 CO 0.02 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2pqc n GLY 49 N 1.38 0.57 3.74 3.99 0.00 -1.26 -0.90 105.19 112.71 2pqc n GLY 49 Ca -0.16 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2pqc n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pqc n LEU 50 N 0.00 4.30 -4.69 0.99 7.94 -1.26 -3.77 117.00 120.51 2pqc n LEU 50 Ca 0.00 1.20 -0.42 0.00 -1.11 0.00 0.00 56.01 55.68 2pqc n LEU 50 Cb 0.00 -1.57 -0.03 0.00 0.53 0.00 0.00 43.42 42.35 2pqc n LEU 50 CO 0.00 -0.02 0.99 -0.22 -1.11 0.00 0.00 177.39 177.02 2pqc s LEU 51 N -1.29 4.30 -0.42 -1.96 2.96 -1.26 -4.63 118.68 116.38 2pqc s LEU 51 Ca 0.57 1.91 0.05 0.00 -0.22 0.00 0.00 54.13 56.45 2pqc s LEU 51 Cb -0.51 -3.56 0.66 0.00 0.50 0.00 0.00 46.19 43.28 2pqc s LEU 51 CO 0.59 -0.60 1.85 -0.62 -1.32 0.00 0.00 176.35 176.25 2pqc n GLU 52 N 5.08 2.38 -1.42 1.98 1.02 -1.26 -4.78 120.64 123.65 2pqc n GLU 52 Ca 0.11 -3.04 -0.30 0.00 -0.02 0.00 0.00 57.16 53.91 2pqc n GLU 52 Cb 0.46 -2.14 0.10 0.00 -0.02 0.00 0.00 31.44 29.83 2pqc n GLU 52 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2pqc s GLY 53 N -1.41 1.63 0.26 0.62 0.00 -1.26 -4.80 107.32 102.35 2pqc s GLY 53 Ca 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 2pqc s GLY 53 CO 0.10 0.34 1.81 0.83 0.00 0.00 0.00 173.10 176.18 2pqc h GLU 54 N -1.20 0.81 -0.52 2.90 5.08 -1.09 -2.37 114.58 118.18 2pqc h GLU 54 Ca -0.47 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2pqc h GLU 54 Cb 1.26 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2pqc h GLU 54 CO 0.57 0.53 0.18 -0.44 -1.00 0.00 0.00 179.01 178.86 2pqc h ASP 55 N 0.83 0.18 -0.38 1.42 5.19 -1.66 -1.59 116.42 120.41 2pqc h ASP 55 Ca 0.45 0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 56.78 2pqc h ASP 55 Cb 0.48 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2pqc h ASP 55 CO -0.28 0.13 -0.32 0.58 -3.12 0.00 0.00 179.24 176.23 2pqc h VAL 56 N 0.36 1.28 -0.97 -1.35 2.07 -1.66 -2.73 116.25 113.24 2pqc h VAL 56 Ca 0.26 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.33 2pqc h VAL 56 Cb 0.29 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2pqc h VAL 56 CO -0.26 0.50 0.64 0.40 0.02 0.00 0.00 177.57 178.86 2pqc h ILE 57 N 0.70 1.16 -0.69 4.57 1.08 -1.16 -0.71 117.51 122.46 2pqc h ILE 57 Ca 0.07 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 2pqc h ILE 57 Cb 0.91 -0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2pqc h ILE 57 CO 0.08 0.22 0.26 0.78 -0.69 0.00 0.00 178.15 178.80 2pqc h ASN 58 N 1.22 0.95 -0.64 1.72 2.35 -1.03 -0.62 115.58 119.52 2pqc h ASN 58 Ca 0.39 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 2pqc h ASN 58 Cb 0.03 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2pqc h ASN 58 CO -0.12 0.86 0.15 0.74 -1.65 0.00 0.00 177.43 177.40 2pqc h THR 59 N 1.01 1.26 -0.64 2.81 2.02 -1.05 -2.10 112.91 116.20 2pqc h THR 59 Ca 0.23 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.47 2pqc h THR 59 Cb 0.22 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2pqc h THR 59 CO -0.02 0.36 0.42 1.23 0.37 0.00 0.00 175.52 177.88 2pqc h GLY 60 N 0.96 0.91 1.80 2.16 0.00 -0.39 -1.53 103.07 106.99 2pqc h GLY 60 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2pqc h GLY 60 CO 0.00 0.30 -0.17 0.50 0.00 0.00 0.00 176.54 177.17 2pqc h LYS 61 N 0.84 0.24 -0.46 4.80 1.57 -0.95 -1.42 116.57 121.19 2pqc h LYS 61 Ca 0.25 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2pqc h LYS 61 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2pqc h LYS 61 CO -0.07 0.42 -0.21 0.00 -0.57 0.00 0.00 179.45 179.02 2pqc h ALA 62 N 1.60 0.65 -0.47 3.86 0.00 -0.69 -1.54 119.26 122.66 2pqc h ALA 62 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2pqc h ALA 62 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pqc h ALA 62 CO 0.03 0.63 -0.16 0.52 0.00 0.00 0.00 179.25 180.27 2pqc h MET 63 N 0.81 0.92 -0.78 0.00 2.86 -0.91 -2.64 114.93 115.19 2pqc h MET 63 Ca 0.11 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 2pqc h MET 63 Cb 0.79 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 2pqc h MET 63 CO 0.07 1.01 0.39 1.96 1.06 0.00 0.00 176.91 181.40 2pqc h GLN 64 N 0.81 1.10 0.00 1.72 4.20 -1.16 -1.73 115.11 120.05 2pqc h GLN 64 Ca 0.12 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pqc h GLN 64 Cb 0.71 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2pqc h GLN 64 CO 0.05 0.84 -0.01 0.00 -0.67 0.00 0.00 178.83 179.04 2pqc h ALA 65 N 1.33 1.07 -0.42 3.87 0.00 -0.92 -1.96 119.26 122.22 2pqc h ALA 65 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pqc h ALA 65 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pqc h ALA 65 CO -0.04 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 2pqc n MET 66 N -3.20 3.21 0.00 0.00 2.81 -0.72 -4.27 117.12 114.95 2pqc n MET 66 Ca -0.02 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 2pqc n MET 66 Cb 0.13 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2pqc n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pqc n GLY 67 N 0.38 0.64 3.81 3.03 0.00 -0.74 -0.98 105.19 111.33 2pqc n GLY 67 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2pqc n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 68 N -2.00 3.07 -0.17 4.61 0.00 -0.80 -4.78 121.76 121.69 2pqc s ALA 68 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2pqc s ALA 68 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2pqc s ALA 68 CO 0.00 0.14 -0.01 1.03 0.00 0.00 0.00 175.76 176.92 2pqc s ARG 69 N -3.00 3.71 -0.03 0.00 0.52 -0.88 -4.14 118.95 115.13 2pqc s ARG 69 Ca 0.60 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 55.37 2pqc s ARG 69 Cb -0.11 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 2pqc s ARG 69 CO 0.15 0.19 -0.19 0.42 0.02 0.00 0.00 175.30 175.89 2pqc s ILE 70 N 0.52 1.52 0.07 1.52 1.01 -1.26 -0.77 121.20 123.81 2pqc s ILE 70 Ca -0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 2pqc s ILE 70 Cb -0.14 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.07 2pqc s ILE 70 CO 0.02 0.43 0.37 0.00 0.00 0.00 0.00 174.94 175.77 2pqc s ARG 71 N -0.15 0.93 -0.24 2.79 1.70 -0.75 -5.01 118.95 118.23 2pqc s ARG 71 Ca 0.00 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 54.72 2pqc s ARG 71 Cb -0.10 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2pqc s ARG 71 CO 0.01 -0.33 -0.07 0.21 -1.08 0.00 0.00 175.30 174.05 2pqc s LYS 72 N -2.94 2.99 -0.31 3.89 2.20 -1.26 -0.25 119.74 124.06 2pqc s LYS 72 Ca -0.02 -0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 2pqc s LYS 72 Cb 0.00 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.42 2pqc s LYS 72 CO -0.06 -0.33 0.02 -2.00 -0.36 0.00 0.00 175.35 172.63 2pqc s GLU 73 N 1.36 2.45 7.40 4.03 2.12 0.08 -4.95 118.70 131.18 2pqc s GLU 73 Ca 0.02 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.08 2pqc s GLU 73 Cb -0.16 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2pqc s GLU 73 CO -0.05 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 2pqc n GLY 74 N 4.65 2.62 1.55 -1.50 0.00 -1.26 -1.58 105.19 109.67 2pqc n GLY 74 Ca -0.13 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.70 2pqc n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqc n ASP 75 N 6.15 4.88 -4.34 1.61 10.43 -1.26 -4.94 116.55 129.09 2pqc n ASP 75 Ca 0.00 -2.65 -0.33 0.00 2.57 0.00 0.00 54.79 54.38 2pqc n ASP 75 Cb 0.00 -0.59 -0.15 0.00 1.84 0.00 0.00 41.12 42.22 2pqc n ASP 75 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2pqc s THR 76 N -2.22 2.87 -0.14 -3.53 2.01 -0.62 -4.45 115.64 109.56 2pqc s THR 76 Ca 0.50 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 2pqc s THR 76 Cb 0.35 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2pqc s THR 76 CO 0.19 0.53 0.58 0.26 -0.69 0.00 0.00 174.62 175.49 2pqc s TRP 77 N 0.39 3.47 -0.13 4.92 0.52 -0.09 -0.74 118.94 127.27 2pqc s TRP 77 Ca -0.12 0.97 0.00 0.00 0.02 0.00 0.00 56.10 56.97 2pqc s TRP 77 Cb -0.16 -2.70 -0.01 0.00 -1.15 0.00 0.00 33.47 29.45 2pqc s TRP 77 CO 0.06 0.02 -0.14 0.42 0.02 0.00 0.00 176.95 177.32 2pqc s ILE 78 N 1.15 2.89 -0.07 2.03 1.01 0.66 -0.16 121.20 128.71 2pqc s ILE 78 Ca 0.29 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2pqc s ILE 78 Cb -0.16 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 2pqc s ILE 78 CO 0.12 0.52 -0.22 -0.63 0.00 0.00 0.00 174.94 174.73 2pqc s ILE 79 N 0.46 1.86 -0.40 2.92 1.01 0.53 -1.80 121.20 125.78 2pqc s ILE 79 Ca -0.10 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 2pqc s ILE 79 Cb -0.16 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.76 2pqc s ILE 79 CO 0.05 0.52 0.24 -1.81 0.00 0.00 0.00 174.94 173.94 2pqc s ASP 80 N 0.16 5.79 0.73 3.58 1.01 0.05 -0.90 116.67 127.09 2pqc s ASP 80 Ca -0.11 -1.12 -0.11 0.00 0.71 0.00 0.00 52.55 51.92 2pqc s ASP 80 Cb -0.15 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.76 2pqc s ASP 80 CO 0.06 -0.45 1.10 -0.83 0.21 0.00 0.00 175.17 175.26 2pqc s GLY 81 N 1.76 1.63 0.02 0.21 0.00 -0.33 -2.07 107.32 108.53 2pqc s GLY 81 Ca 0.02 -0.31 0.23 0.00 0.00 0.00 0.00 44.72 44.67 2pqc s GLY 81 CO 0.06 0.08 1.08 3.33 0.00 0.00 0.00 173.10 177.65 2pqc n VAL 82 N -3.13 0.07 0.00 1.40 0.24 -0.57 -4.26 118.33 112.08 2pqc n VAL 82 Ca 0.07 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2pqc n VAL 82 Cb 0.57 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2pqc n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pqc n GLY 83 N 1.44 -0.61 3.67 7.63 0.00 0.94 -4.39 105.19 113.88 2pqc n GLY 83 Ca 0.03 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 2pqc n GLY 83 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pqc n ASN 84 N -0.72 2.89 0.00 1.61 5.15 -0.92 -0.32 115.26 122.95 2pqc n ASN 84 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 2pqc n ASN 84 Cb 0.00 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 37.82 2pqc n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pqc n GLY 85 N 2.61 1.01 1.17 8.20 0.00 -1.26 -4.94 105.19 111.98 2pqc n GLY 85 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2pqc n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqc n GLY 86 N -2.00 1.80 3.77 -0.02 0.00 0.57 -4.99 105.19 104.31 2pqc n GLY 86 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 2pqc n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pqc s LEU 87 N -1.39 4.13 0.02 0.99 1.43 -1.26 -4.89 118.68 117.72 2pqc s LEU 87 Ca 0.41 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.28 2pqc s LEU 87 Cb 0.23 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2pqc s LEU 87 CO 0.32 -1.07 0.09 -0.76 0.23 0.00 0.00 176.35 175.16 2pqc s LEU 88 N -2.68 3.90 0.11 1.79 1.43 -0.15 -5.05 118.68 118.02 2pqc s LEU 88 Ca 0.60 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.50 2pqc s LEU 88 Cb -0.40 -2.38 -0.11 0.00 0.03 0.00 0.00 46.19 43.33 2pqc s LEU 88 CO 0.52 0.24 1.85 0.00 0.23 0.00 0.00 176.35 179.19 2pqc n ALA 89 N 0.92 2.14 -1.77 4.21 0.00 -1.26 -4.40 120.51 120.34 2pqc n ALA 89 Ca -0.11 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 2pqc n ALA 89 Cb 0.52 -2.60 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 2pqc n ALA 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pqc s PRO 90 N 2.89 4.08 0.21 0.00 0.04 -1.26 -4.91 135.00 136.05 2pqc s PRO 90 Ca 0.83 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.74 2pqc s PRO 90 Cb -0.48 -2.69 0.16 0.00 0.04 0.00 0.00 34.50 31.53 2pqc s PRO 90 CO 0.38 -0.30 1.49 0.93 0.04 0.00 0.00 177.00 179.54 2pqc h GLU 91 N 2.67 0.23 -4.91 4.56 5.08 -1.93 -3.47 114.58 116.81 2pqc h GLU 91 Ca -0.49 -0.18 -0.42 0.00 -1.00 0.00 0.00 59.36 57.27 2pqc h GLU 91 Cb 1.23 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 2pqc h GLU 91 CO 0.63 0.84 -0.57 0.00 -1.00 0.00 0.00 179.01 178.91 2pqc s ALA 92 N -3.56 2.01 0.59 3.43 0.00 -1.26 -5.13 121.76 117.84 2pqc s ALA 92 Ca -0.04 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 2pqc s ALA 92 Cb 0.11 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 2pqc s ALA 92 CO 0.81 -0.48 1.15 -2.30 0.00 0.00 0.00 175.76 174.95 2pqc n PRO 93 N -0.59 1.18 -3.07 0.00 -0.02 -1.26 -4.76 135.00 126.47 2pqc n PRO 93 Ca 0.00 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2pqc n PRO 93 Cb 0.65 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2pqc n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pqc s LEU 94 N -2.92 4.29 -0.46 2.45 1.43 0.79 -4.95 118.68 119.30 2pqc s LEU 94 Ca 0.76 0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.71 2pqc s LEU 94 Cb -0.41 -2.83 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2pqc s LEU 94 CO 0.46 -0.69 0.59 -0.62 0.23 0.00 0.00 176.35 176.32 2pqc s ASP 95 N 1.88 6.25 0.00 2.29 -1.08 -1.26 -1.77 116.67 122.98 2pqc s ASP 95 Ca 0.26 -0.66 0.22 0.00 -0.52 0.00 0.00 52.55 51.84 2pqc s ASP 95 Cb -0.14 -2.29 0.57 0.00 -1.46 0.00 0.00 42.92 39.60 2pqc s ASP 95 CO 0.17 -0.79 1.46 0.49 0.52 0.00 0.00 175.17 177.03 2pqc n PHE 96 N 6.08 0.33 0.00 -5.34 3.01 -0.36 -4.85 117.46 116.33 2pqc n PHE 96 Ca -0.05 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2pqc n PHE 96 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2pqc n PHE 96 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pqc n GLY 97 N 1.32 2.46 0.70 1.37 0.00 -1.26 -0.71 105.19 109.07 2pqc n GLY 97 Ca 0.17 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.68 2pqc n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pqc n ASN 98 N 7.90 2.34 -4.44 1.61 2.85 -1.26 -0.27 115.26 124.00 2pqc n ASN 98 Ca 0.00 -1.70 -0.43 0.00 -0.11 0.00 0.00 54.58 52.34 2pqc n ASN 98 Cb 0.00 0.14 -0.04 0.00 1.24 0.00 0.00 39.78 41.13 2pqc n ASN 98 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqc s ALA 99 N -2.17 3.21 0.25 5.20 0.00 0.11 -4.77 121.76 123.60 2pqc s ALA 99 Ca 0.27 -2.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.12 2pqc s ALA 99 Cb 0.20 -3.85 0.32 0.00 0.00 0.00 0.00 23.12 19.79 2pqc s ALA 99 CO 0.40 -2.76 1.69 0.00 0.00 0.00 0.00 175.76 175.09 2pqc h ALA 100 N 9.36 1.01 -0.03 0.00 0.00 -1.92 -1.92 119.26 125.76 2pqc h ALA 100 Ca -0.19 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2pqc h ALA 100 Cb 1.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2pqc h ALA 100 CO 1.15 0.59 -0.06 1.15 0.00 0.00 0.00 179.25 182.08 2pqc h THR 101 N 0.54 0.83 -0.35 0.00 2.02 -1.97 0.30 112.91 114.28 2pqc h THR 101 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2pqc h THR 101 Cb 0.68 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2pqc h THR 101 CO 0.05 0.00 0.16 1.23 0.37 0.00 0.00 175.52 177.33 2pqc h GLY 102 N -0.09 0.54 0.91 2.16 0.00 -1.88 -2.07 103.07 102.64 2pqc h GLY 102 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2pqc h GLY 102 CO -0.09 0.26 -0.13 0.00 0.00 0.00 0.00 176.54 176.58 2pqc h ARG 104 N -0.46 0.97 -0.34 0.00 3.08 -0.44 -1.18 114.38 116.02 2pqc h ARG 104 Ca -0.04 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.55 2pqc h ARG 104 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2pqc h ARG 104 CO 0.06 1.00 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.57 2pqc h LEU 105 N 0.84 0.77 -0.99 3.04 4.07 -1.40 -2.98 115.31 118.66 2pqc h LEU 105 Ca 0.14 -0.31 -0.11 0.00 0.08 0.00 0.00 57.88 57.68 2pqc h LEU 105 Cb 0.59 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2pqc h LEU 105 CO 0.04 1.03 -0.49 0.74 -1.08 0.00 0.00 178.44 178.67 2pqc h THR 106 N 0.62 1.36 -0.51 0.22 2.02 -0.96 -0.47 112.91 115.18 2pqc h THR 106 Ca 0.07 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.57 2pqc h THR 106 Cb 0.85 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 2pqc h THR 106 CO 0.07 0.49 0.31 0.24 0.37 0.00 0.00 175.52 177.01 2pqc h MET 107 N 0.02 0.61 -0.35 6.66 2.86 -1.07 0.83 114.93 124.49 2pqc h MET 107 Ca -0.00 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2pqc h MET 107 Cb 0.88 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2pqc h MET 107 CO 0.07 0.40 -0.26 0.78 1.06 0.00 0.00 176.91 178.96 2pqc h GLY 108 N 0.63 0.87 0.99 8.32 0.00 -1.35 0.75 103.07 113.27 2pqc h GLY 108 Ca 0.20 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2pqc h GLY 108 CO -0.08 0.76 -0.08 -2.00 0.00 0.00 0.00 176.54 175.14 2pqc h LEU 109 N 0.59 -0.19 0.00 3.11 5.85 -0.58 -3.07 115.31 121.02 2pqc h LEU 109 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2pqc h LEU 109 Cb 0.83 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2pqc h LEU 109 CO 0.07 -0.12 -1.19 1.33 -0.34 0.00 0.00 178.44 178.18 2pqc n VAL 110 N -5.18 0.00 0.24 1.05 0.24 0.24 -4.33 118.33 110.59 2pqc n VAL 110 Ca -0.09 -0.15 0.13 0.00 -2.04 0.00 0.00 64.34 62.19 2pqc n VAL 110 Cb 0.12 0.74 0.77 0.00 -1.47 0.00 0.00 33.84 34.00 2pqc n VAL 110 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2pqc h GLY 111 N 4.38 0.00 0.36 7.63 0.00 -0.94 -1.39 103.07 113.13 2pqc h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pqc h GLY 111 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2pqc n VAL 112 N -4.18 0.02 -3.36 4.60 0.24 -1.26 -2.15 118.33 112.24 2pqc n VAL 112 Ca -0.01 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.34 61.84 2pqc n VAL 112 Cb 0.18 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.39 2pqc n VAL 112 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2pqc s TYR 113 N -1.98 3.58 -1.36 6.34 1.51 -0.52 -4.50 117.35 120.40 2pqc s TYR 113 Ca 0.41 1.04 -0.09 0.00 -1.01 0.00 0.00 57.07 57.42 2pqc s TYR 113 Cb 0.20 -2.36 -0.11 0.00 -0.11 0.00 0.00 41.96 39.58 2pqc s TYR 113 CO 0.33 0.40 2.96 -3.47 -1.11 0.00 0.00 175.55 174.66 2pqc n ASP 114 N 0.65 7.98 -3.70 2.29 2.03 -1.26 -1.38 116.55 123.15 2pqc n ASP 114 Ca -0.04 -2.53 -0.09 0.00 0.52 0.00 0.00 54.79 52.64 2pqc n ASP 114 Cb 0.52 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.40 2pqc n ASP 114 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2pqc s PHE 115 N 2.14 -0.23 0.24 -0.67 -0.12 -1.26 -4.93 117.98 113.15 2pqc s PHE 115 Ca 0.67 -0.11 -0.23 0.00 -0.05 0.00 0.00 56.93 57.20 2pqc s PHE 115 Cb 0.19 0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 43.02 2pqc s PHE 115 CO -0.05 -1.01 0.81 -0.51 -0.05 0.00 0.00 175.22 174.41 2pqc s ASP 116 N -2.86 7.24 -0.01 1.98 1.11 -1.26 -3.76 116.67 119.10 2pqc s ASP 116 Ca 0.08 1.61 0.00 0.00 0.18 0.00 0.00 52.55 54.42 2pqc s ASP 116 Cb -0.03 -2.49 0.02 0.00 1.07 0.00 0.00 42.92 41.49 2pqc s ASP 116 CO -0.02 0.05 0.01 -0.94 1.18 0.00 0.00 175.17 175.45 2pqc s SER 117 N -1.51 0.12 -0.04 0.27 1.04 -0.33 -4.49 113.70 108.76 2pqc s SER 117 Ca 0.43 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.93 2pqc s SER 117 Cb -0.19 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 2pqc s SER 117 CO 0.23 -0.08 -0.20 -0.89 0.98 0.00 0.00 173.24 173.29 2pqc s THR 118 N 0.67 2.56 -0.13 2.02 2.01 -1.26 -0.11 115.64 121.40 2pqc s THR 118 Ca -0.06 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2pqc s THR 118 Cb -0.08 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2pqc s THR 118 CO -0.02 0.58 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.92 2pqc s PHE 119 N -0.57 2.65 0.21 4.92 0.40 0.14 -0.15 117.98 125.59 2pqc s PHE 119 Ca 0.08 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.31 2pqc s PHE 119 Cb -0.11 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 2pqc s PHE 119 CO 0.00 -0.48 0.04 0.96 0.70 0.00 0.00 175.22 176.45 2pqc s ILE 120 N 0.58 0.61 0.06 0.64 -4.36 -0.73 -2.01 121.20 115.99 2pqc s ILE 120 Ca -0.12 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.24 2pqc s ILE 120 Cb -0.17 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.23 2pqc s ILE 120 CO 0.03 -0.28 0.20 0.61 0.24 0.00 0.00 174.94 175.74 2pqc n GLY 121 N -0.32 1.41 2.44 6.27 0.00 -1.26 -1.22 105.19 112.50 2pqc n GLY 121 Ca -0.04 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 2pqc n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pqc n ASP 122 N -0.88 0.09 -0.09 1.61 3.85 0.63 -4.67 116.55 117.09 2pqc n ASP 122 Ca -0.01 -1.32 0.09 0.00 -0.71 0.00 0.00 54.79 52.84 2pqc n ASP 122 Cb 0.12 -0.64 0.45 0.00 -1.35 0.00 0.00 41.12 39.70 2pqc n ASP 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pqc h ALA 123 N -1.82 1.87 -0.00 2.12 0.00 -1.99 -0.81 119.26 118.63 2pqc h ALA 123 Ca -0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pqc h ALA 123 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pqc h ALA 123 CO 0.19 0.02 -0.01 1.03 0.00 0.00 0.00 179.25 180.49 2pqc h SER 124 N 0.53 0.01 -0.08 0.00 0.87 -1.91 -3.29 113.55 109.68 2pqc h SER 124 Ca 0.26 -0.70 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 2pqc h SER 124 Cb 0.35 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2pqc h SER 124 CO -0.08 0.71 -0.12 0.25 -0.53 0.00 0.00 176.83 177.06 2pqc h LEU 125 N -0.69 0.39 -1.14 2.23 5.85 -1.73 -2.33 115.31 117.88 2pqc h LEU 125 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2pqc h LEU 125 Cb 0.71 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2pqc h LEU 125 CO 0.00 0.54 0.00 0.74 -0.34 0.00 0.00 178.44 179.39 2pqc h THR 126 N 0.38 0.00 0.00 1.05 2.02 -1.25 -2.07 112.91 113.03 2pqc h THR 126 Ca 0.07 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2pqc h THR 126 Cb 0.44 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2pqc h THR 126 CO 0.03 0.00 -0.88 0.29 0.37 0.00 0.00 175.52 175.33 2pqc n LYS 127 N -2.38 0.00 -2.84 6.66 5.02 -0.88 -4.09 118.16 119.65 2pqc n LYS 127 Ca 0.01 -0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2pqc n LYS 127 Cb 0.17 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 2pqc n LYS 127 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pqc s ARG 128 N -3.00 4.23 0.07 1.97 0.52 -0.78 -5.00 118.95 116.96 2pqc s ARG 128 Ca 0.09 1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 56.09 2pqc s ARG 128 Cb 0.16 -2.22 -0.07 0.00 0.52 0.00 0.00 34.95 33.34 2pqc s ARG 128 CO 0.83 -0.01 1.37 -1.25 0.02 0.00 0.00 175.30 176.26 2pqc s PRO 129 N -3.12 4.32 0.00 3.54 0.04 -1.26 -4.66 135.00 133.86 2pqc s PRO 129 Ca 0.61 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.76 2pqc s PRO 129 Cb -0.09 -3.36 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 2pqc s PRO 129 CO 0.14 -0.46 0.47 -1.33 0.04 0.00 0.00 177.00 175.86 2pqc n MET 130 N 4.38 3.38 -0.18 4.56 2.81 -0.53 -4.61 117.12 126.93 2pqc n MET 130 Ca 0.12 -0.01 0.17 0.00 -1.81 0.00 0.00 57.70 56.16 2pqc n MET 130 Cb 0.43 -1.02 0.52 0.00 -0.71 0.00 0.00 33.22 32.45 2pqc n MET 130 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2pqc h GLY 131 N 2.56 0.70 1.95 3.03 0.00 -1.81 0.03 103.07 109.53 2pqc h GLY 131 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2pqc h GLY 131 CO 0.00 0.04 0.02 0.07 0.00 0.00 0.00 176.54 176.67 2pqc h ARG 132 N 0.39 0.00 0.00 4.80 0.11 -1.94 -0.26 114.38 117.48 2pqc h ARG 132 Ca 0.39 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.13 2pqc h ARG 132 Cb 0.96 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.97 2pqc h ARG 132 CO -0.12 0.00 -2.29 1.33 0.10 0.00 0.00 179.97 178.99 2pqc n VAL 133 N -3.92 1.29 0.19 0.08 0.24 -0.29 -4.51 118.33 111.41 2pqc n VAL 133 Ca -0.03 -0.60 0.03 0.00 -2.04 0.00 0.00 64.34 61.70 2pqc n VAL 133 Cb 0.11 -1.03 0.36 0.00 -1.47 0.00 0.00 33.84 31.81 2pqc n VAL 133 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2pqc h LEU 134 N 0.00 0.00 0.06 1.34 3.38 -0.70 -2.83 115.31 116.55 2pqc h LEU 134 Ca -0.51 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2pqc h LEU 134 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2pqc h LEU 134 CO -0.04 0.38 -0.03 0.78 0.09 0.00 0.00 178.44 179.62 2pqc h ASN 135 N 0.00 -0.06 0.03 -0.43 2.35 -1.29 -0.04 115.58 116.14 2pqc h ASN 135 Ca -0.00 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.49 2pqc h ASN 135 Cb 0.68 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2pqc h ASN 135 CO 0.05 0.17 -0.13 1.55 -1.65 0.00 0.00 177.43 177.43 2pqc h PRO 136 N -0.30 0.21 -0.38 0.81 0.13 -1.77 -1.95 132.00 128.75 2pqc h PRO 136 Ca -0.01 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2pqc h PRO 136 Cb 0.27 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 2pqc h PRO 136 CO 0.01 0.35 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.02 2pqc h LEU 137 N 0.20 0.60 -1.08 1.56 3.38 -1.23 -1.34 115.31 117.41 2pqc h LEU 137 Ca 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2pqc h LEU 137 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2pqc h LEU 137 CO 0.02 0.70 0.21 0.03 0.09 0.00 0.00 178.44 179.49 2pqc h ARG 138 N 0.59 0.87 -0.16 1.13 3.08 -0.26 -0.66 114.38 118.96 2pqc h ARG 138 Ca 0.12 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2pqc h ARG 138 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2pqc h ARG 138 CO 0.02 0.73 -0.23 1.49 -1.07 0.00 0.00 179.97 180.91 2pqc h GLU 139 N 0.85 0.29 0.00 0.04 4.81 -0.76 -1.45 114.58 118.36 2pqc h GLU 139 Ca 0.20 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2pqc h GLU 139 Cb 0.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2pqc h GLU 139 CO -0.01 0.51 0.00 -1.33 -0.73 0.00 0.00 179.01 177.45 2pqc n MET 140 N -4.17 0.69 0.00 1.92 2.81 -0.61 -4.78 117.12 112.99 2pqc n MET 140 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2pqc n MET 140 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2pqc n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pqc n GLY 141 N 0.99 0.77 3.74 3.03 0.00 -0.55 -1.28 105.19 111.90 2pqc n GLY 141 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2pqc n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqc s VAL 142 N -2.00 4.04 -0.15 1.61 1.01 -0.35 -3.88 120.40 120.68 2pqc s VAL 142 Ca 0.00 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 2pqc s VAL 142 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2pqc s VAL 142 CO 0.00 0.38 0.53 -1.10 0.00 0.00 0.00 175.10 174.91 2pqc s GLN 143 N -0.72 4.29 -0.13 2.72 -0.21 0.05 -4.22 119.66 121.44 2pqc s GLN 143 Ca 0.45 0.50 0.01 0.00 0.02 0.00 0.00 55.36 56.35 2pqc s GLN 143 Cb -0.27 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 2pqc s GLN 143 CO 0.34 0.00 -0.16 0.08 -2.12 0.00 0.00 175.29 173.42 2pqc s VAL 144 N 1.12 2.69 -0.26 1.09 1.01 -1.26 -1.59 120.40 123.20 2pqc s VAL 144 Ca 0.27 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2pqc s VAL 144 Cb -0.16 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.18 2pqc s VAL 144 CO 0.11 0.53 -0.10 -0.54 0.00 0.00 0.00 175.10 175.10 2pqc s LYS 145 N 0.46 2.18 0.28 2.72 1.02 -0.40 -5.01 119.74 120.99 2pqc s LYS 145 Ca -0.12 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.56 2pqc s LYS 145 Cb -0.16 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 2pqc s LYS 145 CO 0.05 -0.58 0.06 -1.54 -0.92 0.00 0.00 175.35 172.42 2pqc s SER 146 N 1.11 1.81 0.62 2.83 1.04 -1.26 -0.53 113.70 119.32 2pqc s SER 146 Ca -0.08 -1.34 -0.09 0.00 0.48 0.00 0.00 55.95 54.92 2pqc s SER 146 Cb -0.20 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2pqc s SER 146 CO -0.05 -0.63 0.98 -1.61 0.98 0.00 0.00 173.24 172.91 2pqc s GLU 147 N -3.94 3.19 0.18 4.02 0.41 -0.56 -4.90 118.70 117.12 2pqc s GLU 147 Ca 0.35 0.39 -0.32 0.00 -0.41 0.00 0.00 54.97 54.98 2pqc s GLU 147 Cb 0.08 -2.15 -0.15 0.00 -1.78 0.00 0.00 34.13 30.12 2pqc s GLU 147 CO 0.13 -0.69 1.16 -0.25 -0.49 0.00 0.00 175.26 175.12 2pqc n ASP 148 N -2.71 1.37 0.00 -0.19 8.00 -1.26 -1.21 116.55 120.55 2pqc n ASP 148 Ca 0.05 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2pqc n ASP 148 Cb 0.56 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2pqc n ASP 148 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqc n GLY 149 N 1.97 0.66 3.39 0.44 0.00 -1.26 -4.04 105.19 106.34 2pqc n GLY 149 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2pqc n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqc n ASP 150 N 0.00 -5.13 -4.61 1.61 9.92 -0.35 -4.59 116.55 113.39 2pqc n ASP 150 Ca 0.00 -0.75 -0.24 0.00 -0.53 0.00 0.00 54.79 53.27 2pqc n ASP 150 Cb 0.00 -4.83 -0.08 0.00 -0.64 0.00 0.00 41.12 35.57 2pqc n ASP 150 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2pqc s ARG 151 N -4.94 2.10 0.70 -1.24 3.00 -0.97 -1.46 118.95 116.14 2pqc s ARG 151 Ca 0.34 -1.64 -0.15 0.00 0.00 0.00 0.00 55.73 54.29 2pqc s ARG 151 Cb -0.06 -1.99 0.02 0.00 0.00 0.00 0.00 34.95 32.92 2pqc s ARG 151 CO 0.76 0.24 1.15 -0.51 0.00 0.00 0.00 175.30 176.94 2pqc s LEU 152 N -3.68 3.32 0.52 2.53 1.43 -1.26 -1.49 118.68 120.06 2pqc s LEU 152 Ca 0.33 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.39 2pqc s LEU 152 Cb -0.03 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.55 2pqc s LEU 152 CO 0.19 -1.98 1.08 -2.84 0.23 0.00 0.00 176.35 173.03 2pqc s PRO 153 N -4.06 3.55 -0.03 1.29 0.02 -1.26 -4.64 135.00 129.87 2pqc s PRO 153 Ca 0.70 1.47 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2pqc s PRO 153 Cb -0.24 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.23 2pqc s PRO 153 CO 0.44 -0.66 -0.12 0.08 -0.33 0.00 0.00 177.00 176.42 2pqc s VAL 154 N -1.91 0.99 -0.12 3.83 1.01 -0.85 -3.24 120.40 120.11 2pqc s VAL 154 Ca 0.70 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2pqc s VAL 154 Cb -0.20 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2pqc s VAL 154 CO 0.24 0.29 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 2pqc s THR 155 N 0.06 2.00 0.11 3.92 2.01 0.31 0.28 115.64 124.34 2pqc s THR 155 Ca -0.02 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2pqc s THR 155 Cb -0.09 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2pqc s THR 155 CO 0.01 0.54 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.65 2pqc s LEU 156 N 0.64 3.16 -0.15 4.42 1.43 0.84 -1.27 118.68 127.74 2pqc s LEU 156 Ca -0.12 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2pqc s LEU 156 Cb -0.16 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.20 2pqc s LEU 156 CO 0.02 0.17 0.17 -0.60 0.23 0.00 0.00 176.35 176.34 2pqc s ARG 157 N -2.32 0.10 0.64 1.70 6.06 -0.62 -1.19 118.95 123.33 2pqc s ARG 157 Ca 0.23 0.26 -0.11 0.00 -2.50 0.00 0.00 55.73 53.61 2pqc s ARG 157 Cb -0.11 -1.03 -0.03 0.00 0.06 0.00 0.00 34.95 33.84 2pqc s ARG 157 CO 0.15 -0.54 1.04 0.20 -2.50 0.00 0.00 175.30 173.66 2pqc s GLY 158 N 2.27 1.66 0.77 8.12 0.00 -0.48 -0.77 107.32 118.89 2pqc s GLY 158 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 2pqc s GLY 158 CO -0.09 0.18 1.13 2.56 0.00 0.00 0.00 173.10 176.89 2pqc s PRO 159 N -5.19 2.15 0.22 2.90 0.04 -1.25 -4.25 135.00 129.62 2pqc s PRO 159 Ca 0.56 0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 2pqc s PRO 159 Cb -0.11 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.60 2pqc s PRO 159 CO 0.54 -1.44 1.86 -0.22 0.04 0.00 0.00 177.00 177.78 2pqc h LYS 160 N -0.90 1.12 -3.60 4.56 3.64 -1.94 -3.37 116.57 116.08 2pqc h LYS 160 Ca -0.46 -0.10 -0.54 0.00 -1.27 0.00 0.00 60.65 58.28 2pqc h LYS 160 Cb 1.31 -0.23 -0.40 0.00 -0.41 0.00 0.00 32.23 32.50 2pqc h LYS 160 CO 0.65 0.79 -0.77 0.99 -2.27 0.00 0.00 179.45 178.84 2pqc s THR 161 N -5.96 0.67 0.79 1.00 2.01 -1.26 -4.89 115.64 108.00 2pqc s THR 161 Ca -0.13 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 2pqc s THR 161 Cb 0.16 -1.24 0.07 0.00 0.01 0.00 0.00 72.50 71.50 2pqc s THR 161 CO 0.80 -0.31 1.11 -2.84 -0.69 0.00 0.00 174.62 172.69 2pqc s PRO 162 N 1.77 2.03 -0.22 4.92 0.02 -1.26 -5.00 135.00 137.26 2pqc s PRO 162 Ca 0.01 1.31 -0.08 0.00 0.02 0.00 0.00 61.00 62.27 2pqc s PRO 162 Cb -0.17 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 2pqc s PRO 162 CO -0.12 -1.83 0.08 0.99 -0.33 0.00 0.00 177.00 175.78 2pqc s THR 163 N -2.73 4.59 0.42 0.99 2.01 -0.40 -4.46 115.64 116.05 2pqc s THR 163 Ca 0.64 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 2pqc s THR 163 Cb -0.19 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 2pqc s THR 163 CO 0.54 0.38 1.07 -2.16 -0.69 0.00 0.00 174.62 173.76 2pqc s PRO 164 N 1.12 4.05 0.30 4.92 0.04 -1.26 -4.34 135.00 139.82 2pqc s PRO 164 Ca 0.05 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2pqc s PRO 164 Cb -0.14 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2pqc s PRO 164 CO 0.03 -0.25 0.08 0.96 0.04 0.00 0.00 177.00 177.86 2pqc s ILE 165 N -1.68 0.90 -0.24 0.56 -4.36 -1.26 -4.98 121.20 110.15 2pqc s ILE 165 Ca 0.60 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2pqc s ILE 165 Cb -0.22 -2.71 0.04 0.00 1.25 0.00 0.00 42.46 40.81 2pqc s ILE 165 CO 0.28 0.00 -0.12 -0.89 0.24 0.00 0.00 174.94 174.45 2pqc s THR 166 N -3.48 2.38 -0.15 8.37 2.01 -1.26 -0.99 115.64 122.52 2pqc s THR 166 Ca 0.37 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2pqc s THR 166 Cb 0.08 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.37 2pqc s THR 166 CO 0.15 0.19 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.60 2pqc s TYR 167 N 1.22 2.58 -0.34 4.92 6.14 0.70 -4.98 117.35 127.59 2pqc s TYR 167 Ca -0.02 -1.39 -0.17 0.00 0.64 0.00 0.00 57.07 56.12 2pqc s TYR 167 Cb -0.17 -1.78 -0.01 0.00 0.42 0.00 0.00 41.96 40.42 2pqc s TYR 167 CO -0.07 -0.67 0.47 0.50 0.64 0.00 0.00 175.55 176.42 2pqc s ARG 168 N 1.06 3.63 -0.02 4.97 3.52 -1.26 -0.87 118.95 129.98 2pqc s ARG 168 Ca -0.02 -0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.07 2pqc s ARG 168 Cb -0.14 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.39 2pqc s ARG 168 CO -0.07 -0.59 1.51 0.08 -0.81 0.00 0.00 175.30 175.42 2pqc s VAL 169 N 2.28 3.60 0.15 7.11 1.01 -0.56 -4.92 120.40 129.07 2pqc s VAL 169 Ca 0.17 0.91 0.20 0.00 0.00 0.00 0.00 61.98 63.26 2pqc s VAL 169 Cb -0.16 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.80 2pqc s VAL 169 CO 0.13 -0.03 1.76 1.55 0.00 0.00 0.00 175.10 178.50 2pqc h PRO 170 N 8.46 0.00 -5.41 2.72 0.13 -1.95 -3.43 132.00 132.51 2pqc h PRO 170 Ca -0.38 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.27 2pqc h PRO 170 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2pqc h PRO 170 CO 0.93 0.33 -0.66 0.00 -0.23 0.00 0.00 178.00 178.37 2pqc s MET 171 N -3.62 1.54 -1.40 0.86 0.23 -1.26 -5.04 119.30 110.61 2pqc s MET 171 Ca 0.00 -1.79 -0.14 0.00 -1.03 0.00 0.00 55.69 52.74 2pqc s MET 171 Cb 0.11 -1.05 -0.01 0.00 -1.53 0.00 0.00 34.83 32.34 2pqc s MET 171 CO 0.67 -0.01 2.34 0.00 -2.03 0.00 0.00 175.02 176.00 2pqc n ALA 172 N -0.58 5.69 -3.36 3.16 0.00 -1.26 -4.89 120.51 119.27 2pqc n ALA 172 Ca -0.05 -3.68 -0.36 0.00 0.00 0.00 0.00 53.44 49.35 2pqc n ALA 172 Cb 0.64 -3.50 -0.13 0.00 0.00 0.00 0.00 19.45 16.46 2pqc n ALA 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pqc s SER 173 N 3.20 4.91 0.33 0.00 0.15 -1.26 -4.90 113.70 116.13 2pqc s SER 173 Ca 0.53 -0.83 0.15 0.00 0.70 0.00 0.00 55.95 56.49 2pqc s SER 173 Cb 0.15 -1.81 0.55 0.00 -1.71 0.00 0.00 66.02 63.20 2pqc s SER 173 CO -0.06 -0.19 1.69 0.00 1.20 0.00 0.00 173.24 175.88 2pqc h ALA 174 N 8.16 1.02 -0.46 5.45 0.00 -1.90 -2.83 119.26 128.69 2pqc h ALA 174 Ca -0.30 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 2pqc h ALA 174 Cb 1.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2pqc h ALA 174 CO 0.59 0.60 -0.13 1.96 0.00 0.00 0.00 179.25 182.27 2pqc h GLN 175 N 0.00 0.85 -0.17 0.00 4.20 -1.93 0.54 115.11 118.60 2pqc h GLN 175 Ca -0.00 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2pqc h GLN 175 Cb 0.96 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 2pqc h GLN 175 CO 0.06 0.94 -0.07 0.28 -0.67 0.00 0.00 178.83 179.37 2pqc h VAL 176 N 0.76 1.30 -0.67 -0.54 2.07 -1.89 0.20 116.25 117.49 2pqc h VAL 176 Ca 0.12 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.63 2pqc h VAL 176 Cb 0.64 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 2pqc h VAL 176 CO 0.04 0.33 0.34 0.50 0.02 0.00 0.00 177.57 178.80 2pqc h LYS 177 N 0.04 0.59 -0.51 1.57 3.64 -1.41 -1.98 116.57 118.51 2pqc h LYS 177 Ca 0.04 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2pqc h LYS 177 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2pqc h LYS 177 CO 0.02 0.39 0.15 0.77 -2.27 0.00 0.00 179.45 178.51 2pqc h SER 178 N 0.60 0.76 -0.62 4.20 0.02 -0.63 -1.85 113.55 116.03 2pqc h SER 178 Ca 0.32 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2pqc h SER 178 Cb 0.29 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2pqc h SER 178 CO -0.23 0.77 0.31 0.00 -1.14 0.00 0.00 176.83 176.54 2pqc h ALA 179 N 1.01 0.79 -0.49 3.77 0.00 -0.62 -0.15 119.26 123.58 2pqc h ALA 179 Ca 0.16 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pqc h ALA 179 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pqc h ALA 179 CO -0.00 0.34 -0.08 0.28 0.00 0.00 0.00 179.25 179.78 2pqc h VAL 180 N 0.84 1.27 -0.64 0.00 2.07 -1.22 -1.07 116.25 117.50 2pqc h VAL 180 Ca 0.21 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2pqc h VAL 180 Cb 0.10 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2pqc h VAL 180 CO -0.03 0.42 0.20 -0.07 0.02 0.00 0.00 177.57 178.11 2pqc h LEU 181 N 0.78 0.94 -0.79 2.57 3.38 -1.10 -1.16 115.31 119.93 2pqc h LEU 181 Ca 0.13 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2pqc h LEU 181 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2pqc h LEU 181 CO 0.04 0.90 -0.11 -0.07 0.09 0.00 0.00 178.44 179.29 2pqc h LEU 182 N 0.93 0.78 -1.09 1.67 3.38 -0.88 -1.59 115.31 118.51 2pqc h LEU 182 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2pqc h LEU 182 Cb 0.30 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2pqc h LEU 182 CO -0.01 0.92 0.42 0.00 0.09 0.00 0.00 178.44 179.86 2pqc h ALA 183 N 1.16 1.30 -0.04 1.53 0.00 -0.94 -2.04 119.26 120.23 2pqc h ALA 183 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pqc h ALA 183 Cb 0.60 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pqc h ALA 183 CO 0.04 0.57 0.04 0.78 0.00 0.00 0.00 179.25 180.67 2pqc h GLY 184 N 1.10 0.00 1.43 0.00 0.00 -0.21 -2.57 103.07 102.82 2pqc h GLY 184 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.66 2pqc h GLY 184 CO -0.04 0.00 0.26 1.41 0.00 0.00 0.00 176.54 178.16 2pqc h LEU 185 N 0.00 0.24 -3.36 3.11 3.38 -1.08 -1.98 115.31 115.62 2pqc h LEU 185 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2pqc h LEU 185 Cb 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2pqc h LEU 185 CO -0.00 0.16 0.02 -3.20 0.09 0.00 0.00 178.44 175.51 2pqc n ASN 186 N -4.48 4.04 -4.31 -0.43 5.15 -0.97 -0.31 115.26 113.95 2pqc n ASN 186 Ca 0.05 -3.13 -0.33 0.00 -0.60 0.00 0.00 54.58 50.57 2pqc n ASN 186 Cb 0.25 -0.60 -0.15 0.00 -0.53 0.00 0.00 39.78 38.75 2pqc n ASN 186 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2pqc s THR 187 N -2.90 2.76 0.28 -0.44 2.01 -0.74 -4.72 115.64 111.88 2pqc s THR 187 Ca 0.45 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 2pqc s THR 187 Cb 0.37 -2.14 -0.10 0.00 0.01 0.00 0.00 72.50 70.64 2pqc s THR 187 CO 0.09 0.53 1.12 -2.16 -0.69 0.00 0.00 174.62 173.51 2pqc s PRO 188 N 0.49 4.61 0.00 4.92 0.04 -1.26 -3.77 135.00 140.03 2pqc s PRO 188 Ca -0.11 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2pqc s PRO 188 Cb -0.16 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2pqc s PRO 188 CO 0.05 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.67 2pqc n GLY 189 N 1.19 -1.16 3.50 0.56 0.00 -1.26 -4.36 105.19 103.66 2pqc n GLY 189 Ca -0.01 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2pqc n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqc s ILE 190 N 0.00 4.68 -0.14 -0.61 -1.09 -1.26 -1.11 121.20 121.67 2pqc s ILE 190 Ca 0.00 -0.05 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 2pqc s ILE 190 Cb 0.00 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2pqc s ILE 190 CO 0.00 0.31 0.24 -0.89 -1.23 0.00 0.00 174.94 173.37 2pqc s THR 191 N 1.65 5.34 -0.07 2.92 2.01 -0.26 -4.42 115.64 122.80 2pqc s THR 191 Ca 0.07 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.54 2pqc s THR 191 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2pqc s THR 191 CO 0.06 0.47 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.39 2pqc s THR 192 N -0.04 1.56 -0.12 -0.82 2.01 -0.16 -0.83 115.64 117.24 2pqc s THR 192 Ca 0.15 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2pqc s THR 192 Cb -0.13 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 2pqc s THR 192 CO 0.04 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2pqc s VAL 193 N 0.39 2.66 -0.19 3.82 1.01 0.29 -0.21 120.40 128.17 2pqc s VAL 193 Ca -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2pqc s VAL 193 Cb -0.16 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2pqc s VAL 193 CO 0.05 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.99 2pqc s ILE 194 N 0.42 3.28 -0.29 2.22 1.01 -0.04 -0.37 121.20 127.43 2pqc s ILE 194 Ca -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2pqc s ILE 194 Cb -0.16 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.90 2pqc s ILE 194 CO 0.06 0.46 -0.03 -0.70 0.00 0.00 0.00 174.94 174.73 2pqc s GLU 195 N 1.09 2.40 0.42 2.79 2.12 -0.30 -1.49 118.70 125.73 2pqc s GLU 195 Ca 0.01 -1.28 0.19 0.00 0.36 0.00 0.00 54.97 54.25 2pqc s GLU 195 Cb -0.15 -3.11 0.94 0.00 0.26 0.00 0.00 34.13 32.07 2pqc s GLU 195 CO -0.01 -0.60 1.88 -1.00 -0.54 0.00 0.00 175.26 174.99 2pqc h PRO 196 N 7.95 0.00 -4.29 4.30 0.13 -1.85 -0.86 132.00 137.39 2pqc h PRO 196 Ca -0.21 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.47 2pqc h PRO 196 Cb 1.06 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.85 2pqc h PRO 196 CO 0.52 0.29 -0.79 0.42 -0.23 0.00 0.00 178.00 178.20 2pqc s ILE 197 N -4.05 0.81 0.31 -3.56 1.01 -1.26 -4.22 121.20 110.24 2pqc s ILE 197 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2pqc s ILE 197 Cb 0.13 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 2pqc s ILE 197 CO 0.67 0.28 1.57 -0.32 0.00 0.00 0.00 174.94 177.14 2pqc s MET 198 N 0.74 4.12 0.37 2.79 -2.45 -1.26 -4.92 119.30 118.68 2pqc s MET 198 Ca -0.13 2.58 0.05 0.00 -1.25 0.00 0.00 55.69 56.95 2pqc s MET 198 Cb -0.15 -3.01 -0.07 0.00 1.25 0.00 0.00 34.83 32.85 2pqc s MET 198 CO 0.02 -0.61 0.03 0.95 1.05 0.00 0.00 175.02 176.46 2pqc s THR 199 N -0.25 1.60 0.21 10.11 -4.23 -1.26 -4.76 115.64 117.05 2pqc s THR 199 Ca 0.61 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.81 2pqc s THR 199 Cb -0.48 -2.89 -0.15 0.00 1.34 0.00 0.00 72.50 70.32 2pqc s THR 199 CO 0.51 -0.01 1.05 -2.11 -0.54 0.00 0.00 174.62 173.53 2pqc n ARG 200 N -0.82 1.11 -0.84 3.99 1.85 -1.26 -4.87 116.66 115.81 2pqc n ARG 200 Ca -0.04 0.39 -0.06 0.00 -1.00 0.00 0.00 57.85 57.15 2pqc n ARG 200 Cb 0.67 -1.80 0.20 0.00 -1.05 0.00 0.00 32.46 30.48 2pqc n ARG 200 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2pqc n ASP 201 N 1.73 2.66 -0.22 2.89 5.75 -1.26 -4.69 116.55 123.41 2pqc n ASP 201 Ca 0.13 -3.74 -0.00 0.00 -0.01 0.00 0.00 54.79 51.18 2pqc n ASP 201 Cb 0.27 -0.66 0.23 0.00 -1.03 0.00 0.00 41.12 39.93 2pqc n ASP 201 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2pqc h HIS 202 N 1.04 0.96 0.07 2.11 3.86 -1.98 -1.72 115.15 119.50 2pqc h HIS 202 Ca 0.26 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2pqc h HIS 202 Cb 1.78 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.93 2pqc h HIS 202 CO 1.08 0.62 -0.04 1.15 0.86 0.00 0.00 177.93 181.61 2pqc h THR 203 N 1.02 0.98 -0.06 2.45 2.02 -1.96 0.29 112.91 117.65 2pqc h THR 203 Ca 0.27 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.26 2pqc h THR 203 Cb -0.08 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2pqc h THR 203 CO -0.05 0.05 0.02 -0.33 0.37 0.00 0.00 175.52 175.57 2pqc h GLU 204 N -0.19 0.04 -0.55 6.66 3.07 -1.86 0.10 114.58 121.86 2pqc h GLU 204 Ca -0.01 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2pqc h GLU 204 Cb 0.16 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2pqc h GLU 204 CO 0.02 0.03 0.20 0.87 -1.40 0.00 0.00 179.01 178.73 2pqc h LYS 205 N 0.04 0.84 -0.22 2.33 1.57 -1.27 -2.07 116.57 117.78 2pqc h LYS 205 Ca 0.03 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 2pqc h LYS 205 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2pqc h LYS 205 CO -0.03 0.75 -0.61 0.52 -0.57 0.00 0.00 179.45 179.50 2pqc h MET 206 N 0.76 0.76 -0.52 3.15 2.86 -0.81 -1.80 114.93 119.34 2pqc h MET 206 Ca 0.18 -0.52 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 2pqc h MET 206 Cb 0.23 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2pqc h MET 206 CO -0.01 1.14 0.12 -0.07 1.06 0.00 0.00 176.91 179.16 2pqc h LEU 207 N 0.56 0.73 -0.65 1.22 3.38 -0.94 -0.48 115.31 119.14 2pqc h LEU 207 Ca -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2pqc h LEU 207 Cb 1.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2pqc h LEU 207 CO 0.13 0.72 0.16 1.56 0.09 0.00 0.00 178.44 181.10 2pqc h GLN 208 N 0.76 1.04 -0.01 1.13 4.20 -1.23 -1.02 115.11 119.99 2pqc h GLN 208 Ca 0.17 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2pqc h GLN 208 Cb 0.28 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2pqc h GLN 208 CO -0.00 0.94 -0.10 0.78 -0.67 0.00 0.00 178.83 179.78 2pqc h GLY 209 N 0.97 0.01 -0.24 3.46 0.00 -0.46 -0.90 103.07 105.91 2pqc h GLY 209 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2pqc h GLY 209 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 2pqc n PHE 210 N -4.42 0.12 -0.22 5.60 3.01 -0.27 -4.92 117.46 116.36 2pqc n PHE 210 Ca -0.03 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2pqc n PHE 210 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2pqc n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pqc n GLY 211 N 1.01 0.72 3.77 1.37 0.00 -0.34 -0.86 105.19 110.85 2pqc n GLY 211 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2pqc n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 212 N -2.26 3.18 -1.20 4.61 0.00 -0.44 -4.89 121.76 120.76 2pqc s ALA 212 Ca 0.00 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 2pqc s ALA 212 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.73 2pqc s ALA 212 CO 0.00 -0.95 1.53 1.21 0.00 0.00 0.00 175.76 177.56 2pqc s ASN 213 N -0.77 6.89 -0.08 0.00 2.47 -1.26 -4.57 114.94 117.63 2pqc s ASN 213 Ca 0.60 -2.56 0.03 0.00 0.42 0.00 0.00 52.86 51.35 2pqc s ASN 213 Cb -0.39 -2.49 0.01 0.00 -1.45 0.00 0.00 41.25 36.94 2pqc s ASN 213 CO 0.49 -1.01 -0.15 -0.22 -3.72 0.00 0.00 177.10 172.49 2pqc s LEU 214 N 3.04 1.75 0.17 3.21 0.20 -1.26 -1.73 118.68 124.07 2pqc s LEU 214 Ca 0.47 -0.38 0.10 0.00 0.69 0.00 0.00 54.13 55.01 2pqc s LEU 214 Cb 0.00 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 2pqc s LEU 214 CO 0.02 0.06 -0.23 0.42 -0.29 0.00 0.00 176.35 176.33 2pqc s THR 215 N 0.65 2.13 -0.09 3.68 -4.23 -0.10 -4.90 115.64 112.78 2pqc s THR 215 Ca -0.14 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2pqc s THR 215 Cb -0.16 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.73 2pqc s THR 215 CO 0.04 -0.13 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.17 2pqc s VAL 216 N -1.62 1.27 -0.10 2.29 1.01 -1.26 -1.24 120.40 120.75 2pqc s VAL 216 Ca 0.17 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2pqc s VAL 216 Cb -0.08 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2pqc s VAL 216 CO 0.08 0.39 -0.20 -0.70 0.00 0.00 0.00 175.10 174.67 2pqc s GLU 217 N 0.98 2.67 -0.19 2.72 2.12 -0.41 -4.98 118.70 121.61 2pqc s GLU 217 Ca -0.08 -0.74 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 2pqc s GLU 217 Cb -0.15 -2.09 -0.01 0.00 0.26 0.00 0.00 34.13 32.14 2pqc s GLU 217 CO -0.01 0.09 -0.07 0.99 -0.54 0.00 0.00 175.26 175.73 2pqc s THR 218 N 0.56 3.29 0.72 -1.70 2.01 -1.26 -0.79 115.64 118.46 2pqc s THR 218 Ca -0.15 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 2pqc s THR 218 Cb -0.17 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2pqc s THR 218 CO 0.05 0.46 1.08 -0.62 -0.69 0.00 0.00 174.62 174.89 2pqc s ASP 219 N 1.13 4.99 0.61 3.53 -1.08 -0.28 -4.88 116.67 120.70 2pqc s ASP 219 Ca 0.01 1.77 0.34 0.00 -0.52 0.00 0.00 52.55 54.15 2pqc s ASP 219 Cb -0.14 -2.52 1.97 0.00 -1.46 0.00 0.00 42.92 40.77 2pqc s ASP 219 CO -0.01 -1.71 2.26 0.00 0.52 0.00 0.00 175.17 176.23 2pqc h ALA 220 N -0.72 1.41 -0.07 3.66 0.00 -1.99 0.15 119.26 121.71 2pqc h ALA 220 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pqc h ALA 220 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pqc h ALA 220 CO 0.54 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 2pqc n ASP 221 N -3.61 0.69 0.00 0.00 5.68 -1.26 -4.92 116.55 113.13 2pqc n ASP 221 Ca -0.02 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2pqc n ASP 221 Cb 0.11 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2pqc n ASP 221 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pqc n GLY 222 N 0.93 2.02 3.73 6.12 0.00 0.54 -5.05 105.19 113.49 2pqc n GLY 222 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2pqc n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqc s VAL 223 N -2.33 2.64 -0.17 1.61 1.01 -1.26 -4.67 120.40 117.24 2pqc s VAL 223 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 2pqc s VAL 223 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2pqc s VAL 223 CO 0.00 0.06 0.07 -0.13 0.00 0.00 0.00 175.10 175.10 2pqc s ARG 224 N 0.23 3.86 -0.26 2.72 0.52 -0.33 -1.13 118.95 124.56 2pqc s ARG 224 Ca 0.64 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2pqc s ARG 224 Cb -0.43 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 31.88 2pqc s ARG 224 CO 0.39 0.36 -0.03 0.99 0.02 0.00 0.00 175.30 177.03 2pqc s THR 225 N 0.12 2.99 -0.24 0.02 2.01 0.03 -1.15 115.64 119.42 2pqc s THR 225 Ca 0.06 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2pqc s THR 225 Cb -0.12 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 2pqc s THR 225 CO 0.00 0.11 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.42 2pqc s ILE 226 N 1.32 3.61 -0.09 1.82 1.01 0.50 -1.29 121.20 128.09 2pqc s ILE 226 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2pqc s ILE 226 Cb -0.17 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2pqc s ILE 226 CO -0.03 0.33 -0.09 -0.13 0.00 0.00 0.00 174.94 175.02 2pqc s ARG 227 N 1.50 2.98 -0.07 2.79 0.52 -0.37 -0.55 118.95 125.75 2pqc s ARG 227 Ca 0.05 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2pqc s ARG 227 Cb -0.15 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.72 2pqc s ARG 227 CO -0.01 0.51 -0.05 -1.17 0.02 0.00 0.00 175.30 174.60 2pqc s LEU 228 N -0.40 1.18 -0.20 2.53 2.96 -0.01 -0.92 118.68 123.82 2pqc s LEU 228 Ca 0.05 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.55 2pqc s LEU 228 Cb -0.12 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 2pqc s LEU 228 CO 0.02 -0.09 0.78 -0.70 -1.32 0.00 0.00 176.35 175.04 2pqc s GLU 229 N 1.26 4.23 0.71 1.98 2.12 -0.70 -1.10 118.70 127.20 2pqc s GLU 229 Ca -0.05 0.88 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 2pqc s GLU 229 Cb -0.14 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.67 2pqc s GLU 229 CO -0.02 -0.37 1.07 0.20 -0.54 0.00 0.00 175.26 175.60 2pqc s GLY 230 N 1.24 1.65 -1.61 -1.50 0.00 -0.26 -4.15 107.32 102.68 2pqc s GLY 230 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 2pqc s GLY 230 CO 0.10 0.26 0.23 0.54 0.00 0.00 0.00 173.10 174.22 2pqc n ARG 231 N -3.14 -2.90 -3.27 2.90 1.74 0.58 -4.61 116.66 107.96 2pqc n ARG 231 Ca 0.07 0.91 -0.23 0.00 -0.77 0.00 0.00 57.85 57.83 2pqc n ARG 231 Cb 0.55 -5.64 -0.00 0.00 -1.02 0.00 0.00 32.46 26.35 2pqc n ARG 231 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2pqc s GLY 232 N -2.30 1.44 0.34 -0.13 0.00 -1.26 -5.06 107.32 100.35 2pqc s GLY 232 Ca 0.12 -1.04 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 2pqc s GLY 232 CO 0.15 -0.94 1.21 1.25 0.00 0.00 0.00 173.10 174.77 2pqc s LYS 233 N -4.37 4.33 -0.04 2.90 2.20 -1.26 -4.76 119.74 118.74 2pqc s LYS 233 Ca 0.43 1.98 0.07 0.00 -0.36 0.00 0.00 55.97 58.09 2pqc s LYS 233 Cb -0.10 -2.97 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2pqc s LYS 233 CO 0.36 -0.12 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.47 2pqc s LEU 234 N -1.93 2.11 -0.14 5.43 1.43 -1.26 -4.40 118.68 119.92 2pqc s LEU 234 Ca 0.50 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2pqc s LEU 234 Cb -0.35 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2pqc s LEU 234 CO 0.45 0.28 -0.13 -0.89 0.23 0.00 0.00 176.35 176.29 2pqc s THR 235 N -0.37 3.01 0.45 5.49 2.01 -0.04 -0.53 115.64 125.67 2pqc s THR 235 Ca 0.03 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 2pqc s THR 235 Cb -0.12 -2.27 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 2pqc s THR 235 CO 0.02 0.52 0.85 0.61 -0.69 0.00 0.00 174.62 175.93 2pqc n GLY 236 N 3.64 -0.64 3.29 4.40 0.00 -0.08 -4.67 105.19 111.12 2pqc n GLY 236 Ca -0.18 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2pqc n GLY 236 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pqc s GLN 237 N -2.00 1.25 -0.27 1.61 -1.52 -1.21 -4.83 119.66 112.70 2pqc s GLN 237 Ca 0.65 -1.63 -0.15 0.00 -1.95 0.00 0.00 55.36 52.28 2pqc s GLN 237 Cb -0.55 -0.40 -0.04 0.00 -0.22 0.00 0.00 33.01 31.80 2pqc s GLN 237 CO 0.56 -0.14 0.37 0.08 -0.25 0.00 0.00 175.29 175.90 2pqc s VAL 238 N -3.58 5.18 -0.08 1.09 1.01 -1.26 -1.36 120.40 121.39 2pqc s VAL 238 Ca 0.28 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2pqc s VAL 238 Cb 0.06 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2pqc s VAL 238 CO 0.07 0.16 -0.17 -0.63 0.00 0.00 0.00 175.10 174.53 2pqc s ILE 239 N 2.04 2.72 -0.29 2.22 1.01 0.11 -4.96 121.20 124.04 2pqc s ILE 239 Ca 0.15 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2pqc s ILE 239 Cb -0.16 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.31 2pqc s ILE 239 CO 0.10 0.56 -0.05 -0.62 0.00 0.00 0.00 174.94 174.93 2pqc s ASP 240 N -0.14 4.60 -0.02 3.58 2.15 -1.26 -1.24 116.67 124.35 2pqc s ASP 240 Ca -0.02 -1.62 -0.30 0.00 0.43 0.00 0.00 52.55 51.04 2pqc s ASP 240 Cb -0.14 -1.60 -0.04 0.00 -0.30 0.00 0.00 42.92 40.85 2pqc s ASP 240 CO 0.04 -0.26 1.14 -0.69 -0.17 0.00 0.00 175.17 175.23 2pqc s VAL 241 N 1.06 4.34 0.71 1.11 1.01 -0.08 -4.53 120.40 124.03 2pqc s VAL 241 Ca -0.03 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 2pqc s VAL 241 Cb -0.20 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.13 2pqc s VAL 241 CO -0.05 0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.05 2pqc s PRO 242 N 1.66 2.80 0.38 2.72 0.04 -1.26 -4.69 135.00 136.65 2pqc s PRO 242 Ca 0.55 0.43 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 2pqc s PRO 242 Cb -0.25 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 2pqc s PRO 242 CO 0.25 -1.07 1.27 0.20 0.04 0.00 0.00 177.00 177.68 2pqc s GLY 243 N -4.38 2.94 -0.14 0.56 0.00 0.58 -0.44 107.32 106.45 2pqc s GLY 243 Ca 0.58 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 46.18 2pqc s GLY 243 CO 0.52 1.76 1.60 -0.35 0.00 0.00 0.00 173.10 176.63 2pqc s ASP 244 N -0.77 6.56 0.42 1.64 3.68 0.03 -1.18 116.67 127.06 2pqc s ASP 244 Ca 0.55 1.92 0.22 0.00 2.13 0.00 0.00 52.55 57.37 2pqc s ASP 244 Cb -0.37 -2.53 0.82 0.00 -1.45 0.00 0.00 42.92 39.40 2pqc s ASP 244 CO 0.47 -1.06 1.79 1.55 0.13 0.00 0.00 175.17 178.05 2pqc h PRO 245 N 9.96 0.00 -0.03 4.34 0.13 -1.91 -0.80 132.00 143.70 2pqc h PRO 245 Ca -0.36 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 2pqc h PRO 245 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pqc h PRO 245 CO 0.97 0.27 -0.89 0.77 -0.23 0.00 0.00 178.00 178.90 2pqc h SER 246 N 0.00 0.59 0.06 1.44 0.02 -1.90 -2.84 113.55 110.92 2pqc h SER 246 Ca -0.00 -0.44 -0.21 0.00 -0.84 0.00 0.00 61.79 60.30 2pqc h SER 246 Cb 0.81 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2pqc h SER 246 CO 0.04 1.23 -0.77 0.28 -1.14 0.00 0.00 176.83 176.47 2pqc h SER 247 N 0.28 0.71 -0.80 3.07 0.02 -1.90 -3.05 113.55 111.88 2pqc h SER 247 Ca -0.07 -0.47 0.12 0.00 -0.84 0.00 0.00 61.79 60.52 2pqc h SER 247 Cb 1.51 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 2pqc h SER 247 CO 0.16 1.25 0.52 0.74 -1.14 0.00 0.00 176.83 178.36 2pqc h THR 248 N 0.40 0.88 -0.94 -2.27 2.02 -1.14 -2.41 112.91 109.46 2pqc h THR 248 Ca -0.05 -0.22 0.23 0.00 0.77 0.00 0.00 66.41 67.14 2pqc h THR 248 Cb 1.37 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 2pqc h THR 248 CO 0.15 0.12 0.63 0.00 0.37 0.00 0.00 175.52 176.78 2pqc h ALA 249 N 1.61 2.29 0.37 6.16 0.00 -1.39 -1.47 119.26 126.83 2pqc h ALA 249 Ca 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2pqc h ALA 249 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pqc h ALA 249 CO -0.15 -0.60 -0.18 0.74 0.00 0.00 0.00 179.25 179.07 2pqc h PHE 250 N 0.36 -0.46 0.00 0.00 -1.00 -1.60 0.34 116.94 114.59 2pqc h PHE 250 Ca 0.50 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.18 2pqc h PHE 250 Cb 1.32 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 41.02 2pqc h PHE 250 CO -0.00 -0.12 -0.40 -1.00 -1.61 0.00 0.00 178.31 175.18 2pqc h PRO 251 N -0.87 0.00 0.07 1.51 0.13 -1.69 -1.56 132.00 129.59 2pqc h PRO 251 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2pqc h PRO 251 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2pqc h PRO 251 CO 0.08 0.40 -0.04 1.25 -0.23 0.00 0.00 178.00 179.46 2pqc h LEU 252 N 0.00 -0.08 -0.84 1.56 6.46 -1.24 -0.86 115.31 120.30 2pqc h LEU 252 Ca -0.00 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.41 2pqc h LEU 252 Cb 0.79 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2pqc h LEU 252 CO 0.05 0.21 -0.19 0.58 -0.62 0.00 0.00 178.44 178.47 2pqc h VAL 253 N -0.38 1.26 -0.82 1.05 2.07 -0.85 -2.16 116.25 116.42 2pqc h VAL 253 Ca -0.01 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2pqc h VAL 253 Cb 0.33 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2pqc h VAL 253 CO 0.02 0.41 0.53 0.00 0.02 0.00 0.00 177.57 178.55 2pqc h ALA 254 N 1.21 1.07 -0.24 1.67 0.00 -1.14 -1.44 119.26 120.38 2pqc h ALA 254 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2pqc h ALA 254 Cb 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pqc h ALA 254 CO 0.05 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 179.45 2pqc h ALA 255 N 1.33 1.15 -0.47 0.00 0.00 -0.76 -0.39 119.26 120.12 2pqc h ALA 255 Ca 0.32 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2pqc h ALA 255 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pqc h ALA 255 CO -0.10 0.54 -0.16 -0.07 0.00 0.00 0.00 179.25 179.45 2pqc h LEU 256 N 0.40 0.96 0.18 0.00 3.38 -0.83 -2.90 115.31 116.50 2pqc h LEU 256 Ca 0.06 -0.38 -0.32 0.00 0.09 0.00 0.00 57.88 57.34 2pqc h LEU 256 Cb 0.63 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pqc h LEU 256 CO 0.04 1.12 -1.49 -0.07 0.09 0.00 0.00 178.44 178.14 2pqc h LEU 257 N 0.79 0.59 -9.02 1.67 3.38 -1.01 -0.47 115.31 111.24 2pqc h LEU 257 Ca 0.11 -0.71 -0.57 0.00 0.09 0.00 0.00 57.88 56.79 2pqc h LEU 257 Cb 0.73 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2pqc h LEU 257 CO 0.06 1.58 0.85 -0.69 0.09 0.00 0.00 178.44 180.32 2pqc s VAL 258 N -2.61 4.50 0.57 1.22 1.01 -0.18 -4.92 120.40 119.99 2pqc s VAL 258 Ca -0.09 1.77 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 2pqc s VAL 258 Cb 0.06 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2pqc s VAL 258 CO 0.89 -0.33 1.15 -2.65 0.00 0.00 0.00 175.10 174.16 2pqc n PRO 259 N 6.69 1.25 -1.83 2.72 -0.02 -1.26 -3.16 135.00 139.38 2pqc n PRO 259 Ca 0.13 0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 2pqc n PRO 259 Cb 0.46 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 2pqc n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pqc n GLY 260 N 1.05 0.33 3.73 -1.23 0.00 -1.26 -3.81 105.19 104.00 2pqc n GLY 260 Ca 0.12 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2pqc n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pqc s SER 261 N -2.81 5.28 -0.32 1.61 0.01 -1.19 -4.13 113.70 112.15 2pqc s SER 261 Ca 0.00 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.22 2pqc s SER 261 Cb 0.00 -1.34 0.18 0.00 0.21 0.00 0.00 66.02 65.07 2pqc s SER 261 CO 0.00 0.18 0.52 -0.62 0.41 0.00 0.00 173.24 173.73 2pqc s ASP 262 N -2.33 -0.75 -0.08 2.44 -1.08 0.04 -2.34 116.67 112.57 2pqc s ASP 262 Ca 0.27 -0.33 0.04 0.00 -0.52 0.00 0.00 52.55 52.01 2pqc s ASP 262 Cb -0.12 1.61 -0.00 0.00 -1.46 0.00 0.00 42.92 42.95 2pqc s ASP 262 CO 0.20 -0.29 -0.22 -0.69 0.52 0.00 0.00 175.17 174.69 2pqc s VAL 263 N 2.43 1.87 -0.17 1.11 1.01 -0.10 -2.19 120.40 124.36 2pqc s VAL 263 Ca 0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2pqc s VAL 263 Cb -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2pqc s VAL 263 CO -0.22 0.52 -0.08 -0.89 0.00 0.00 0.00 175.10 174.43 2pqc s THR 264 N 0.23 3.36 -0.22 3.92 2.01 0.06 0.12 115.64 125.11 2pqc s THR 264 Ca -0.13 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 2pqc s THR 264 Cb -0.16 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 2pqc s THR 264 CO 0.06 0.48 0.02 -0.63 -0.69 0.00 0.00 174.62 173.86 2pqc s ILE 265 N 0.74 3.94 0.16 1.82 1.09 0.59 -0.76 121.20 128.78 2pqc s ILE 265 Ca -0.03 -0.31 -0.13 0.00 -1.10 0.00 0.00 60.65 59.08 2pqc s ILE 265 Cb -0.15 -2.81 -0.07 0.00 -1.06 0.00 0.00 42.46 38.37 2pqc s ILE 265 CO 0.02 0.39 0.54 -0.76 -0.10 0.00 0.00 174.94 175.03 2pqc s LEU 266 N 1.35 4.30 -1.24 2.97 1.43 0.11 -0.84 118.68 126.76 2pqc s LEU 266 Ca 0.04 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2pqc s LEU 266 Cb -0.15 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2pqc s LEU 266 CO 0.01 0.07 0.86 -3.20 0.23 0.00 0.00 176.35 174.32 2pqc n ASN 267 N 0.60 -1.88 -4.76 2.29 4.05 -1.22 -3.65 115.26 110.69 2pqc n ASN 267 Ca -0.04 -0.72 -0.38 0.00 0.45 0.00 0.00 54.58 53.88 2pqc n ASN 267 Cb 0.52 -4.62 -0.06 0.00 1.23 0.00 0.00 39.78 36.85 2pqc n ASN 267 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pqc s VAL 268 N -3.50 5.02 0.22 3.44 1.01 0.21 -0.31 120.40 126.50 2pqc s VAL 268 Ca 0.03 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 2pqc s VAL 268 Cb -0.01 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2pqc s VAL 268 CO 0.77 0.40 1.60 -0.22 0.00 0.00 0.00 175.10 177.65 2pqc s LEU 269 N -0.00 4.37 -0.10 3.92 2.96 -0.32 -1.63 118.68 127.87 2pqc s LEU 269 Ca 0.29 2.77 0.14 0.00 -0.22 0.00 0.00 54.13 57.11 2pqc s LEU 269 Cb -0.17 -3.61 0.22 0.00 0.50 0.00 0.00 46.19 43.13 2pqc s LEU 269 CO 0.14 -0.87 1.11 0.23 -1.32 0.00 0.00 176.35 175.65 2pqc n MET 270 N 3.30 1.67 -1.65 1.98 2.81 0.16 -4.59 117.12 120.80 2pqc n MET 270 Ca 0.12 -2.30 -0.49 0.00 -1.81 0.00 0.00 57.70 53.22 2pqc n MET 270 Cb 0.38 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.47 2pqc n MET 270 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2pqc n ASN 271 N -1.20 2.72 0.20 7.83 4.05 -1.25 -4.84 115.26 122.77 2pqc n ASN 271 Ca 0.12 1.08 0.13 0.00 0.45 0.00 0.00 54.58 56.36 2pqc n ASN 271 Cb 0.55 -1.34 0.70 0.00 1.23 0.00 0.00 39.78 40.92 2pqc n ASN 271 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2pqc h PRO 272 N 6.13 0.00 0.00 1.20 0.13 -1.97 0.02 132.00 137.52 2pqc h PRO 272 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2pqc h PRO 272 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2pqc h PRO 272 CO 0.87 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.89 2pqc n THR 273 N -2.41 0.04 -0.11 1.56 -2.24 -1.26 -3.23 114.28 106.63 2pqc n THR 273 Ca -0.02 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2pqc n THR 273 Cb 0.05 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2pqc n THR 273 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pqc n ARG 274 N -1.09 -0.15 -0.49 -0.78 5.12 -0.01 -4.22 116.66 115.04 2pqc n ARG 274 Ca 0.18 -0.39 0.08 0.00 -1.93 0.00 0.00 57.85 55.79 2pqc n ARG 274 Cb 0.13 -0.89 0.27 0.00 -1.16 0.00 0.00 32.46 30.82 2pqc n ARG 274 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2pqc n THR 275 N -0.09 2.26 -0.18 0.55 -2.24 -1.20 -4.67 114.28 108.71 2pqc n THR 275 Ca 0.00 -1.75 0.07 0.00 -2.27 0.00 0.00 64.05 60.09 2pqc n THR 275 Cb 0.03 -0.20 0.36 0.00 -2.10 0.00 0.00 70.33 68.42 2pqc n THR 275 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pqc h GLY 276 N 2.14 0.94 0.90 3.38 0.00 -1.47 -2.45 103.07 106.51 2pqc h GLY 276 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2pqc h GLY 276 CO 0.24 0.21 0.09 -2.00 0.00 0.00 0.00 176.54 175.08 2pqc h LEU 277 N 0.73 0.46 -0.48 3.11 5.85 -1.83 -0.73 115.31 122.42 2pqc h LEU 277 Ca 0.31 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2pqc h LEU 277 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2pqc h LEU 277 CO -0.10 0.55 0.23 0.40 -0.34 0.00 0.00 178.44 179.18 2pqc h ILE 278 N 0.34 0.95 -0.64 4.05 2.04 -1.82 0.17 117.51 122.60 2pqc h ILE 278 Ca 0.10 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2pqc h ILE 278 Cb 0.27 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2pqc h ILE 278 CO -0.00 0.08 0.41 0.25 0.00 0.00 0.00 178.15 178.90 2pqc h LEU 279 N 0.46 0.75 -0.38 1.44 5.85 -1.25 0.00 115.31 122.19 2pqc h LEU 279 Ca 0.21 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2pqc h LEU 279 Cb 0.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2pqc h LEU 279 CO -0.15 0.55 0.06 0.74 -0.34 0.00 0.00 178.44 179.30 2pqc h THR 280 N 0.87 1.24 -0.59 1.05 2.02 -0.49 -1.82 112.91 115.19 2pqc h THR 280 Ca 0.23 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2pqc h THR 280 Cb -0.08 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2pqc h THR 280 CO -0.05 0.29 0.12 -0.07 0.37 0.00 0.00 175.52 176.19 2pqc h LEU 281 N 0.47 0.87 -0.95 2.58 3.38 -0.39 -1.83 115.31 119.43 2pqc h LEU 281 Ca 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2pqc h LEU 281 Cb 0.37 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2pqc h LEU 281 CO 0.01 0.86 0.58 1.56 0.09 0.00 0.00 178.44 181.54 2pqc h GLN 282 N 0.88 1.29 0.00 1.13 4.20 -0.70 -0.28 115.11 121.63 2pqc h GLN 282 Ca 0.19 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2pqc h GLN 282 Cb 0.35 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2pqc h GLN 282 CO 0.00 0.90 -0.22 0.93 -0.67 0.00 0.00 178.83 179.77 2pqc h GLU 283 N 1.31 0.00 -0.00 1.46 5.08 -0.72 -1.22 114.58 120.49 2pqc h GLU 283 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2pqc h GLU 283 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2pqc h GLU 283 CO -0.06 0.22 -0.06 -1.33 -1.00 0.00 0.00 179.01 176.77 2pqc n MET 284 N -3.98 0.30 0.00 2.33 2.81 -0.42 -4.90 117.12 113.26 2pqc n MET 284 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2pqc n MET 284 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2pqc n MET 284 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pqc n GLY 285 N 1.37 1.25 3.77 3.03 0.00 -0.46 -0.78 105.19 113.37 2pqc n GLY 285 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2pqc n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 286 N -2.00 3.15 -0.78 4.61 0.00 -0.25 -4.60 121.76 121.88 2pqc s ALA 286 Ca 0.00 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 2pqc s ALA 286 Cb 0.00 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 19.88 2pqc s ALA 286 CO 0.00 -0.74 0.73 0.34 0.00 0.00 0.00 175.76 176.09 2pqc s ASP 287 N -0.98 6.67 -0.18 0.00 -1.08 -1.26 -4.63 116.67 115.21 2pqc s ASP 287 Ca 0.59 -2.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.08 2pqc s ASP 287 Cb -0.34 -2.21 0.04 0.00 -1.46 0.00 0.00 42.92 38.94 2pqc s ASP 287 CO 0.43 -0.63 -0.09 -0.63 0.52 0.00 0.00 175.17 174.77 2pqc s ILE 288 N 0.43 1.43 -0.22 4.11 1.01 -1.26 -1.96 121.20 124.74 2pqc s ILE 288 Ca 0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 2pqc s ILE 288 Cb -0.13 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2pqc s ILE 288 CO -0.07 0.21 0.14 -0.70 0.00 0.00 0.00 174.94 174.51 2pqc s GLU 289 N 1.50 4.09 -0.36 2.79 2.12 0.24 -4.94 118.70 124.14 2pqc s GLU 289 Ca 0.01 -0.27 -0.20 0.00 0.36 0.00 0.00 54.97 54.87 2pqc s GLU 289 Cb -0.15 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.78 2pqc s GLU 289 CO -0.08 0.16 0.61 0.08 -0.54 0.00 0.00 175.26 175.49 2pqc s VAL 290 N 0.76 4.91 -0.11 3.70 1.01 -1.26 -1.35 120.40 128.06 2pqc s VAL 290 Ca 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 2pqc s VAL 290 Cb -0.13 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2pqc s VAL 290 CO 0.02 -0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 174.10 2pqc s ILE 291 N 2.64 3.55 -1.25 2.22 1.01 0.55 -4.76 121.20 125.16 2pqc s ILE 291 Ca 0.23 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2pqc s ILE 291 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2pqc s ILE 291 CO 0.15 0.54 0.67 -3.20 0.00 0.00 0.00 174.94 173.10 2pqc n ASN 292 N 3.00 -2.84 -4.74 3.58 5.15 -1.26 -1.19 115.26 116.96 2pqc n ASN 292 Ca -0.18 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.44 2pqc n ASN 292 Cb 0.53 -3.57 -0.02 0.00 -0.53 0.00 0.00 39.78 36.19 2pqc n ASN 292 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2pqc s PRO 293 N -6.05 4.13 0.33 1.20 0.04 -1.26 -4.59 135.00 128.79 2pqc s PRO 293 Ca 0.21 2.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 2pqc s PRO 293 Cb -0.07 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.45 2pqc s PRO 293 CO 0.85 -0.67 0.61 -0.98 0.04 0.00 0.00 177.00 176.85 2pqc s ARG 294 N 0.04 1.93 -0.19 4.56 1.70 -0.04 -5.00 118.95 121.94 2pqc s ARG 294 Ca 0.67 -1.46 -0.05 0.00 -0.47 0.00 0.00 55.73 54.41 2pqc s ARG 294 Cb -0.48 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.40 2pqc s ARG 294 CO 0.43 -0.85 0.01 -1.17 -1.08 0.00 0.00 175.30 172.64 2pqc s LEU 295 N -3.10 3.35 -0.07 -1.89 2.96 -1.26 -1.14 118.68 117.54 2pqc s LEU 295 Ca 0.22 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2pqc s LEU 295 Cb -0.03 -1.85 0.04 0.00 0.50 0.00 0.00 46.19 44.86 2pqc s LEU 295 CO 0.13 0.09 0.14 0.00 -1.32 0.00 0.00 176.35 175.39 2pqc s ALA 296 N 0.86 -0.18 -1.66 5.97 0.00 0.02 -4.85 121.76 121.91 2pqc s ALA 296 Ca 0.01 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 2pqc s ALA 296 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2pqc s ALA 296 CO 0.02 -0.28 0.17 0.41 0.00 0.00 0.00 175.76 176.08 2pqc n GLY 297 N 4.56 -0.51 2.72 0.00 0.00 -1.26 -1.46 105.19 109.24 2pqc n GLY 297 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2pqc n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqc n GLY 298 N -1.14 0.75 3.38 -0.02 0.00 -1.26 -4.69 105.19 102.21 2pqc n GLY 298 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2pqc n GLY 298 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pqc s GLU 299 N -0.11 1.42 -0.05 1.61 0.41 -0.53 -5.12 118.70 116.33 2pqc s GLU 299 Ca 0.00 -1.65 -0.28 0.00 -0.41 0.00 0.00 54.97 52.63 2pqc s GLU 299 Cb 0.00 -1.24 -0.03 0.00 -1.78 0.00 0.00 34.13 31.08 2pqc s GLU 299 CO 0.00 0.19 0.89 -0.51 -0.49 0.00 0.00 175.26 175.34 2pqc s ASP 300 N -3.37 7.21 0.11 -0.19 1.01 -1.26 -0.80 116.67 119.38 2pqc s ASP 300 Ca 0.25 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.98 2pqc s ASP 300 Cb -0.01 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2pqc s ASP 300 CO 0.09 -0.26 -0.00 0.68 0.21 0.00 0.00 175.17 175.89 2pqc s VAL 301 N 1.19 0.38 0.22 -1.27 -7.23 -0.29 -0.67 120.40 112.74 2pqc s VAL 301 Ca 0.46 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 2pqc s VAL 301 Cb -0.19 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 34.93 2pqc s VAL 301 CO 0.22 -0.68 0.66 0.00 -0.31 0.00 0.00 175.10 174.99 2pqc s ALA 302 N -3.84 -1.42 0.01 1.32 0.00 -0.65 -0.86 121.76 116.33 2pqc s ALA 302 Ca 0.17 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2pqc s ALA 302 Cb 0.07 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2pqc s ALA 302 CO -0.02 -0.90 0.21 -0.51 0.00 0.00 0.00 175.76 174.54 2pqc s ASP 303 N -2.83 6.40 -0.13 0.00 1.01 -0.33 -0.61 116.67 120.18 2pqc s ASP 303 Ca 0.06 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.74 2pqc s ASP 303 Cb -0.03 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2pqc s ASP 303 CO -0.03 0.24 -0.20 -0.76 0.21 0.00 0.00 175.17 174.63 2pqc s LEU 304 N -1.99 2.01 -0.24 1.23 1.43 -0.02 -0.33 118.68 120.77 2pqc s LEU 304 Ca 0.29 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2pqc s LEU 304 Cb -0.13 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2pqc s LEU 304 CO 0.19 0.07 0.08 -0.60 0.23 0.00 0.00 176.35 176.32 2pqc s ARG 305 N 0.83 3.72 -0.14 1.70 3.52 -0.45 -0.30 118.95 127.83 2pqc s ARG 305 Ca -0.08 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2pqc s ARG 305 Cb -0.15 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2pqc s ARG 305 CO -0.01 -0.13 -0.16 0.08 -0.81 0.00 0.00 175.30 174.26 2pqc s VAL 306 N 1.48 2.63 0.12 7.11 1.01 0.12 -0.59 120.40 132.28 2pqc s VAL 306 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.33 2pqc s VAL 306 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2pqc s VAL 306 CO 0.04 0.53 -0.22 -0.13 0.00 0.00 0.00 175.10 175.31 2pqc s ARG 307 N 0.63 1.23 0.12 2.72 0.52 -0.83 -0.92 118.95 122.42 2pqc s ARG 307 Ca -0.09 -1.25 -0.35 0.00 -0.52 0.00 0.00 55.73 53.52 2pqc s ARG 307 Cb -0.16 -1.55 -0.17 0.00 0.52 0.00 0.00 34.95 33.59 2pqc s ARG 307 CO 0.03 0.36 1.11 0.43 0.02 0.00 0.00 175.30 177.25 2pqc n SER 308 N 0.92 0.84 -4.08 0.23 7.64 -0.99 -4.31 113.62 113.87 2pqc n SER 308 Ca -0.18 1.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.75 2pqc n SER 308 Cb 0.54 -1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 2pqc n SER 308 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2pqc s SER 309 N -0.00 0.64 -0.23 6.43 0.01 -0.19 -4.87 113.70 115.50 2pqc s SER 309 Ca 0.79 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 2pqc s SER 309 Cb -0.98 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 2pqc s SER 309 CO 0.53 -0.44 0.19 0.42 0.41 0.00 0.00 173.24 174.35 2pqc s THR 310 N -2.91 5.34 0.15 1.44 -4.23 -1.26 -4.71 115.64 109.47 2pqc s THR 310 Ca 0.00 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.84 2pqc s THR 310 Cb 0.01 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 2pqc s THR 310 CO -0.05 0.34 0.04 -0.76 -0.54 0.00 0.00 174.62 173.65 2pqc s LEU 311 N 1.01 3.51 -0.00 4.79 1.43 -1.26 -4.65 118.68 123.51 2pqc s LEU 311 Ca 0.09 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2pqc s LEU 311 Cb -0.13 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2pqc s LEU 311 CO 0.04 0.10 -0.19 -0.54 0.23 0.00 0.00 176.35 175.99 2pqc s LYS 312 N -2.84 1.50 0.58 1.70 1.02 0.04 -0.87 119.74 120.88 2pqc s LYS 312 Ca 0.28 -0.74 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 2pqc s LYS 312 Cb -0.10 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 2pqc s LYS 312 CO 0.20 0.40 1.26 0.20 -0.92 0.00 0.00 175.35 176.49 2pqc s GLY 313 N -0.62 2.81 0.21 -3.33 0.00 -0.12 -4.46 107.32 101.81 2pqc s GLY 313 Ca 0.07 1.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 2pqc s GLY 313 CO -0.00 1.58 0.12 -1.34 0.00 0.00 0.00 173.10 173.46 2pqc s VAL 314 N -1.46 0.07 -0.22 1.40 -7.23 -1.20 -4.81 120.40 106.95 2pqc s VAL 314 Ca 0.76 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 2pqc s VAL 314 Cb -0.35 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 2pqc s VAL 314 CO 0.39 -0.01 0.21 -0.89 -0.31 0.00 0.00 175.10 174.49 2pqc s THR 315 N -4.11 5.34 -0.37 5.32 2.01 -1.26 -1.28 115.64 121.28 2pqc s THR 315 Ca 0.39 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 2pqc s THR 315 Cb 0.07 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 69.07 2pqc s THR 315 CO 0.12 0.35 0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 2pqc s VAL 316 N 0.91 4.22 0.55 3.82 1.01 0.57 -4.95 120.40 126.52 2pqc s VAL 316 Ca 0.11 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 2pqc s VAL 316 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2pqc s VAL 316 CO 0.04 -0.28 1.28 -2.16 0.00 0.00 0.00 175.10 173.98 2pqc s PRO 317 N 1.47 3.17 0.51 2.72 0.04 -1.26 -3.48 135.00 138.17 2pqc s PRO 317 Ca 0.01 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.27 2pqc s PRO 317 Cb -0.20 -2.17 1.28 0.00 0.04 0.00 0.00 34.50 33.45 2pqc s PRO 317 CO 0.04 -1.11 2.08 1.05 0.04 0.00 0.00 177.00 179.11 2pqc h GLU 318 N 1.36 0.05 0.00 4.56 9.09 -1.95 -2.15 114.58 125.54 2pqc h GLU 318 Ca -0.50 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 2pqc h GLU 318 Cb 1.29 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2pqc h GLU 318 CO 0.57 0.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.26 2pqc n ASP 319 N -4.48 0.00 0.08 3.06 3.85 -1.26 -2.37 116.55 115.43 2pqc n ASP 319 Ca 0.02 0.19 0.12 0.00 -0.71 0.00 0.00 54.79 54.41 2pqc n ASP 319 Cb 0.28 -0.38 0.13 0.00 -1.35 0.00 0.00 41.12 39.80 2pqc n ASP 319 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2pqc h ARG 320 N 0.00 0.00 -0.60 0.11 2.43 -1.76 -3.40 114.38 111.16 2pqc h ARG 320 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2pqc h ARG 320 Cb 0.31 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.75 2pqc h ARG 320 CO 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 179.97 178.36 2pqc h ALA 321 N 2.33 0.46 -0.62 2.80 0.00 -1.57 -1.80 119.26 120.87 2pqc h ALA 321 Ca 0.00 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2pqc h ALA 321 Cb 0.83 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2pqc h ALA 321 CO 0.00 -0.42 0.43 -1.35 0.00 0.00 0.00 179.25 177.91 2pqc h PRO 322 N 0.03 0.23 0.00 0.00 0.11 -1.81 0.26 132.00 130.82 2pqc h PRO 322 Ca 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2pqc h PRO 322 Cb 0.47 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2pqc h PRO 322 CO -0.59 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 176.22 2pqc n SER 323 N -4.44 0.00 -0.81 -2.05 3.41 -0.68 -3.92 113.62 105.13 2pqc n SER 323 Ca 0.11 -0.81 -0.03 0.00 -0.26 0.00 0.00 58.87 57.88 2pqc n SER 323 Cb 0.53 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2pqc n SER 323 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2pqc n MET 324 N -1.04 0.00 -0.23 4.33 0.00 -0.37 -1.46 117.12 118.35 2pqc n MET 324 Ca 0.21 -0.69 0.10 0.00 0.00 0.00 0.00 57.70 57.33 2pqc n MET 324 Cb 0.12 0.21 0.38 0.00 0.00 0.00 0.00 33.22 33.93 2pqc n MET 324 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2pqc h ILE 325 N 5.27 0.90 -0.00 3.17 6.09 -0.68 -0.20 117.51 132.06 2pqc h ILE 325 Ca -0.29 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 2pqc h ILE 325 Cb 1.29 0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2pqc h ILE 325 CO -0.13 0.13 -0.11 0.47 -3.07 0.00 0.00 178.15 175.43 2pqc n ASP 326 N -4.52 0.30 -1.19 2.19 8.00 -1.26 -3.54 116.55 116.54 2pqc n ASP 326 Ca 0.15 -0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.49 2pqc n ASP 326 Cb 0.39 -0.15 0.26 0.00 -0.02 0.00 0.00 41.12 41.59 2pqc n ASP 326 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pqc n GLU 327 N -1.17 2.52 -0.08 -1.24 4.71 -0.09 -4.42 120.64 120.87 2pqc n GLU 327 Ca 0.12 -2.33 -0.03 0.00 -0.01 0.00 0.00 57.16 54.91 2pqc n GLU 327 Cb 0.29 -1.52 0.19 0.00 -1.01 0.00 0.00 31.44 29.38 2pqc n GLU 327 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 2pqc h TYR 328 N 4.27 0.76 -0.27 -0.32 -1.99 -1.60 -1.51 116.97 116.32 2pqc h TYR 328 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2pqc h TYR 328 Cb 0.95 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 2pqc h TYR 328 CO 0.32 0.73 0.17 -1.35 -0.00 0.00 0.00 178.16 178.02 2pqc h PRO 329 N 0.67 0.36 0.00 4.88 0.11 -1.87 -0.08 132.00 136.07 2pqc h PRO 329 Ca 0.13 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 2pqc h PRO 329 Cb 0.44 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2pqc h PRO 329 CO 0.02 0.26 -0.60 0.97 -0.21 0.00 0.00 178.00 178.45 2pqc h ILE 330 N 0.34 1.39 -0.58 4.15 6.09 -1.84 -2.49 117.51 124.58 2pqc h ILE 330 Ca 0.10 -2.06 -0.07 0.00 -1.37 0.00 0.00 64.86 61.45 2pqc h ILE 330 Cb -0.01 2.12 -0.02 0.00 0.47 0.00 0.00 36.82 39.38 2pqc h ILE 330 CO -0.02 0.58 0.08 0.25 -3.07 0.00 0.00 178.15 175.97 2pqc h LEU 331 N 0.00 0.94 -1.21 2.19 5.85 -1.04 -1.55 115.31 120.49 2pqc h LEU 331 Ca -0.01 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2pqc h LEU 331 Cb 1.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2pqc h LEU 331 CO 0.08 0.97 0.29 0.00 -0.34 0.00 0.00 178.44 179.44 2pqc h ALA 332 N 1.00 1.39 -0.34 1.25 0.00 -0.70 0.51 119.26 122.38 2pqc h ALA 332 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2pqc h ALA 332 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pqc h ALA 332 CO 0.01 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 179.99 2pqc h VAL 333 N 0.84 1.27 -0.94 0.00 2.07 -1.15 -2.06 116.25 116.28 2pqc h VAL 333 Ca 0.21 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2pqc h VAL 333 Cb 0.08 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2pqc h VAL 333 CO -0.03 0.34 0.55 0.00 0.02 0.00 0.00 177.57 178.45 2pqc h ALA 334 N 0.84 1.20 0.00 1.67 0.00 -0.62 -2.05 119.26 120.30 2pqc h ALA 334 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2pqc h ALA 334 Cb 0.51 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pqc h ALA 334 CO 0.02 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.86 2pqc h ALA 335 N 1.30 1.58 0.00 0.00 0.00 -0.64 -0.99 119.26 120.52 2pqc h ALA 335 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pqc h ALA 335 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2pqc h ALA 335 CO -0.06 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2pqc h ALA 336 N 1.92 1.00 -0.10 0.00 0.00 -0.65 -2.43 119.26 118.99 2pqc h ALA 336 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pqc h ALA 336 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pqc h ALA 336 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2pqc n PHE 337 N -2.69 0.18 -3.65 0.00 3.01 -0.39 -0.66 117.46 113.27 2pqc n PHE 337 Ca -0.01 -0.61 -0.27 0.00 1.01 0.00 0.00 57.45 57.57 2pqc n PHE 337 Cb 0.15 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 2pqc n PHE 337 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pqc s ALA 338 N -1.44 3.81 -0.17 4.37 0.00 -0.92 -3.66 121.76 123.74 2pqc s ALA 338 Ca 0.14 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2pqc s ALA 338 Cb 0.10 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2pqc s ALA 338 CO 0.05 0.39 1.16 -2.00 0.00 0.00 0.00 175.76 175.36 2pqc s GLU 339 N -3.40 4.27 0.69 0.00 2.56 -0.04 -2.88 118.70 119.90 2pqc s GLU 339 Ca 0.39 1.54 0.00 0.00 0.00 0.00 0.00 54.97 56.90 2pqc s GLU 339 Cb -0.11 -3.68 0.00 0.00 2.00 0.00 0.00 34.13 32.34 2pqc s GLU 339 CO 0.29 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 2pqc n GLY 340 N 3.44 -1.80 3.85 -1.50 0.00 -1.26 -0.94 105.19 106.97 2pqc n GLY 340 Ca 0.12 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 2pqc n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 341 N -1.54 3.83 -0.17 4.61 0.00 -1.26 -2.05 121.76 125.17 2pqc s ALA 341 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2pqc s ALA 341 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2pqc s ALA 341 CO 0.00 0.51 -0.05 0.99 0.00 0.00 0.00 175.76 177.22 2pqc s THR 342 N -0.74 3.67 -0.16 0.00 2.01 0.45 -3.25 115.64 117.62 2pqc s THR 342 Ca 0.14 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2pqc s THR 342 Cb -0.12 -2.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 2pqc s THR 342 CO 0.03 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 2pqc s VAL 343 N 0.71 2.66 -0.13 3.82 1.01 -0.40 -1.22 120.40 126.84 2pqc s VAL 343 Ca -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2pqc s VAL 343 Cb -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2pqc s VAL 343 CO 0.02 0.51 -0.09 -0.04 0.00 0.00 0.00 175.10 175.50 2pqc s MET 344 N 0.86 1.73 0.35 2.72 -1.94 -0.20 -0.32 119.30 122.50 2pqc s MET 344 Ca -0.04 -0.40 0.01 0.00 -1.71 0.00 0.00 55.69 53.55 2pqc s MET 344 Cb -0.15 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 34.88 2pqc s MET 344 CO -0.01 -0.29 0.08 0.27 -0.01 0.00 0.00 175.02 175.06 2pqc n ASN 345 N 4.88 2.70 -1.90 3.03 6.94 -1.23 -0.78 115.26 128.90 2pqc n ASN 345 Ca -0.14 -2.41 -0.14 0.00 -0.02 0.00 0.00 54.58 51.87 2pqc n ASN 345 Cb 0.50 0.16 0.02 0.00 -2.36 0.00 0.00 39.78 38.09 2pqc n ASN 345 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pqc n GLY 346 N 0.86 -0.13 1.60 4.83 0.00 -0.98 -4.36 105.19 107.02 2pqc n GLY 346 Ca -0.10 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.79 2pqc n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqc n LEU 347 N -2.49 4.77 -0.33 0.99 4.77 -0.46 -4.62 117.00 119.64 2pqc n LEU 347 Ca -0.10 -2.42 0.18 0.00 -0.03 0.00 0.00 56.01 53.63 2pqc n LEU 347 Cb 0.59 -0.58 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 2pqc n LEU 347 CO 0.27 0.83 1.20 1.05 -1.33 0.00 0.00 177.39 179.42 2pqc h GLU 348 N 4.16 0.55 0.00 3.23 9.09 -1.85 -0.61 114.58 129.16 2pqc h GLU 348 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 2pqc h GLU 348 Cb 1.44 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2pqc h GLU 348 CO 0.22 0.36 -0.07 0.93 0.05 0.00 0.00 179.01 180.50 2pqc h GLU 349 N 0.57 0.00 0.00 1.06 4.39 -1.98 -2.15 114.58 116.47 2pqc h GLU 349 Ca 0.58 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.26 2pqc h GLU 349 Cb 1.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2pqc h GLU 349 CO -0.34 0.07 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.44 2pqc h LEU 350 N 0.00 0.00 0.00 1.33 3.38 -1.46 -2.84 115.31 115.71 2pqc h LEU 350 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pqc h LEU 350 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pqc h LEU 350 CO 0.01 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.16 2pqc n ARG 351 N -3.93 0.03 -0.35 1.13 1.74 -0.81 -0.65 116.66 113.82 2pqc n ARG 351 Ca -0.02 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.28 2pqc n ARG 351 Cb 0.17 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.30 2pqc n ARG 351 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2pqc n VAL 352 N -1.48 2.14 -1.15 1.55 0.24 -1.07 -4.21 118.33 114.35 2pqc n VAL 352 Ca 0.05 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 2pqc n VAL 352 Cb 0.22 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2pqc n VAL 352 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2pqc n LYS 353 N -1.07 1.56 -0.34 7.34 4.76 -1.20 -4.68 118.16 124.53 2pqc n LYS 353 Ca 0.20 0.00 0.21 0.00 -2.87 0.00 0.00 58.31 55.85 2pqc n LYS 353 Cb 0.78 0.00 0.43 0.00 -1.84 0.00 0.00 35.03 34.40 2pqc n LYS 353 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2pqc h GLU 354 N 0.00 0.45 -5.02 1.97 3.07 -1.92 -3.40 114.58 109.73 2pqc h GLU 354 Ca 0.00 -0.03 -0.38 0.00 -0.50 0.00 0.00 59.36 58.45 2pqc h GLU 354 Cb 0.00 -0.10 -0.14 0.00 -0.84 0.00 0.00 28.75 27.67 2pqc h GLU 354 CO 0.00 0.30 -0.63 -1.54 -1.40 0.00 0.00 179.01 175.74 2pqc s SER 355 N -5.07 1.66 -0.61 1.42 1.04 -1.26 -4.73 113.70 106.14 2pqc s SER 355 Ca -0.10 -1.32 -0.27 0.00 0.48 0.00 0.00 55.95 54.73 2pqc s SER 355 Cb 0.28 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.47 2pqc s SER 355 CO 0.79 -0.63 1.49 -0.62 0.98 0.00 0.00 173.24 175.26 2pqc s ASP 356 N -3.35 5.93 0.41 7.02 -1.08 -1.26 -4.51 116.67 119.84 2pqc s ASP 356 Ca 0.34 0.13 0.17 0.00 -0.52 0.00 0.00 52.55 52.67 2pqc s ASP 356 Cb 0.07 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.89 2pqc s ASP 356 CO 0.12 -1.90 1.88 0.03 0.52 0.00 0.00 175.17 175.82 2pqc h ARG 357 N 11.76 0.00 -0.10 4.34 3.08 -1.16 -0.64 114.38 131.66 2pqc h ARG 357 Ca -0.27 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2pqc h ARG 357 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 2pqc h ARG 357 CO 1.21 0.30 -0.07 1.25 -1.07 0.00 0.00 179.97 181.59 2pqc h LEU 358 N 0.00 0.23 -0.46 3.04 5.85 -1.88 -0.32 115.31 121.77 2pqc h LEU 358 Ca -0.00 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2pqc h LEU 358 Cb 0.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2pqc h LEU 358 CO 0.04 0.62 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.38 2pqc h SER 359 N -0.16 0.88 -0.59 1.25 0.87 -1.89 -1.66 113.55 112.26 2pqc h SER 359 Ca 0.02 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 2pqc h SER 359 Cb 0.54 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2pqc h SER 359 CO 0.02 1.04 0.03 0.00 -0.53 0.00 0.00 176.83 177.39 2pqc h ALA 360 N 0.88 0.79 -0.12 6.23 0.00 -1.09 -0.36 119.26 125.57 2pqc h ALA 360 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2pqc h ALA 360 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pqc h ALA 360 CO 0.04 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.13 2pqc h VAL 361 N 0.91 1.30 -0.35 0.00 2.07 -1.04 -1.18 116.25 117.96 2pqc h VAL 361 Ca 0.17 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2pqc h VAL 361 Cb 0.51 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2pqc h VAL 361 CO 0.02 0.29 0.16 0.00 0.02 0.00 0.00 177.57 178.06 2pqc h ALA 362 N 0.69 0.42 -0.72 1.67 0.00 -1.21 -0.26 119.26 119.85 2pqc h ALA 362 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2pqc h ALA 362 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2pqc h ALA 362 CO 0.01 -0.22 0.20 -0.91 0.00 0.00 0.00 179.25 178.32 2pqc h ASN 363 N 0.33 1.06 -0.60 0.00 2.35 -1.05 -1.82 115.58 115.84 2pqc h ASN 363 Ca 0.15 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2pqc h ASN 363 Cb 0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2pqc h ASN 363 CO -0.12 1.00 0.12 1.23 -1.65 0.00 0.00 177.43 178.01 2pqc h GLY 364 N 1.09 1.06 0.90 2.83 0.00 -0.85 -1.43 103.07 106.67 2pqc h GLY 364 Ca 0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2pqc h GLY 364 CO -0.00 0.64 0.09 1.41 0.00 0.00 0.00 176.54 178.68 2pqc h LEU 365 N 0.89 0.40 -0.72 3.11 3.38 -0.86 -2.29 115.31 119.22 2pqc h LEU 365 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pqc h LEU 365 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2pqc h LEU 365 CO 0.01 0.49 0.43 0.11 0.09 0.00 0.00 178.44 179.57 2pqc h LYS 366 N 0.29 0.97 -0.09 1.13 1.57 -1.23 -0.40 116.57 118.82 2pqc h LYS 366 Ca 0.09 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2pqc h LYS 366 Cb 0.23 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2pqc h LYS 366 CO -0.00 0.69 0.06 1.25 -0.57 0.00 0.00 179.45 180.88 2pqc h LEU 367 N 0.98 0.01 -3.74 2.94 5.85 -1.13 -1.62 115.31 118.59 2pqc h LEU 367 Ca 0.26 -0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.68 2pqc h LEU 367 Cb -0.03 -0.00 -0.18 0.00 0.37 0.00 0.00 40.66 40.82 2pqc h LEU 367 CO -0.05 0.01 0.33 0.59 -0.34 0.00 0.00 178.44 178.98 2pqc n ASN 368 N -4.52 4.09 -0.00 1.25 3.02 -0.54 -4.66 115.26 113.89 2pqc n ASN 368 Ca -0.01 -3.42 -0.00 0.00 -0.03 0.00 0.00 54.58 51.12 2pqc n ASN 368 Cb 0.16 -0.75 -0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2pqc n ASN 368 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pqc n GLY 369 N -0.65 0.42 3.78 7.41 0.00 -0.61 -0.41 105.19 115.14 2pqc n GLY 369 Ca 0.45 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 2pqc n GLY 369 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqc s VAL 370 N -1.84 4.57 -0.42 1.61 1.01 -0.27 -4.84 120.40 120.22 2pqc s VAL 370 Ca 0.00 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.25 2pqc s VAL 370 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2pqc s VAL 370 CO 0.00 0.50 0.92 -0.62 0.00 0.00 0.00 175.10 175.89 2pqc s ASP 371 N -0.87 6.57 0.07 3.32 2.15 -1.26 -4.16 116.67 122.49 2pqc s ASP 371 Ca 0.34 0.31 -0.08 0.00 0.43 0.00 0.00 52.55 53.55 2pqc s ASP 371 Cb -0.21 -2.45 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2pqc s ASP 371 CO 0.23 -0.96 0.16 0.00 -0.17 0.00 0.00 175.17 174.43 2pqc s ASP 373 N -2.63 2.76 -0.20 0.00 1.01 0.32 -4.97 116.67 112.96 2pqc s ASP 373 Ca 0.02 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 52.57 2pqc s ASP 373 Cb 0.03 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 2pqc s ASP 373 CO -0.09 -0.07 0.47 -0.70 0.21 0.00 0.00 175.17 174.98 2pqc s GLU 374 N 1.49 4.19 0.47 8.23 2.12 -1.26 -1.26 118.70 132.67 2pqc s GLU 374 Ca 0.04 0.32 0.07 0.00 0.36 0.00 0.00 54.97 55.76 2pqc s GLU 374 Cb -0.13 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2pqc s GLU 374 CO -0.10 -0.09 0.38 0.20 -0.54 0.00 0.00 175.26 175.10 2pqc s GLY 375 N 1.10 2.25 0.28 -1.50 0.00 0.32 -4.99 107.32 104.78 2pqc s GLY 375 Ca 0.22 -1.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 2pqc s GLY 375 CO 0.09 -1.83 1.91 0.83 0.00 0.00 0.00 173.10 174.10 2pqc h GLU 376 N 0.94 1.09 -0.12 2.90 5.08 -2.02 -3.25 114.58 119.20 2pqc h GLU 376 Ca -0.39 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2pqc h GLU 376 Cb 1.28 -0.25 -0.32 0.00 0.50 0.00 0.00 28.75 29.96 2pqc h GLU 376 CO 0.58 0.72 -0.94 0.25 -1.00 0.00 0.00 179.01 178.62 2pqc n THR 377 N -4.48 0.77 -3.79 1.13 -2.24 -1.26 -4.73 114.28 99.69 2pqc n THR 377 Ca 0.14 -1.94 -0.09 0.00 -2.27 0.00 0.00 64.05 59.89 2pqc n THR 377 Cb 0.16 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 2pqc n THR 377 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pqc s SER 378 N -2.64 -0.26 -0.07 3.42 1.04 -1.23 -1.36 113.70 112.60 2pqc s SER 378 Ca 0.34 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 2pqc s SER 378 Cb 0.37 0.63 0.03 0.00 0.10 0.00 0.00 66.02 67.15 2pqc s SER 378 CO -0.12 -1.15 0.17 -0.22 0.98 0.00 0.00 173.24 172.90 2pqc s LEU 379 N -2.90 0.87 -0.10 2.42 2.96 0.04 -0.52 118.68 121.45 2pqc s LEU 379 Ca 0.11 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2pqc s LEU 379 Cb -0.02 0.48 -0.01 0.00 0.50 0.00 0.00 46.19 47.13 2pqc s LEU 379 CO 0.01 -0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.05 2pqc s VAL 380 N 0.86 2.65 -0.07 1.68 1.01 -0.39 -1.03 120.40 125.11 2pqc s VAL 380 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2pqc s VAL 380 Cb -0.08 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2pqc s VAL 380 CO -0.05 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 2pqc s VAL 381 N 0.16 1.22 -0.16 2.92 1.01 -0.36 -0.52 120.40 124.68 2pqc s VAL 381 Ca -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2pqc s VAL 381 Cb -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2pqc s VAL 381 CO 0.06 0.38 -0.04 -0.13 0.00 0.00 0.00 175.10 175.37 2pqc s ARG 382 N 0.72 3.68 0.52 2.72 0.52 -0.42 -0.41 118.95 126.28 2pqc s ARG 382 Ca -0.13 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2pqc s ARG 382 Cb -0.16 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.42 2pqc s ARG 382 CO 0.03 0.24 0.73 0.20 0.02 0.00 0.00 175.30 176.52 2pqc s GLY 383 N 0.36 1.86 -0.41 -3.53 0.00 -0.87 -4.19 107.32 100.54 2pqc s GLY 383 Ca -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.23 2pqc s GLY 383 CO 0.03 -1.19 0.20 -1.60 0.00 0.00 0.00 173.10 170.54 2pqc s ARG 384 N -4.66 1.18 0.33 2.90 6.06 0.17 -4.60 118.95 120.33 2pqc s ARG 384 Ca 0.57 -1.81 0.11 0.00 -2.50 0.00 0.00 55.73 52.10 2pqc s ARG 384 Cb -0.10 -2.31 0.91 0.00 0.06 0.00 0.00 34.95 33.51 2pqc s ARG 384 CO 0.37 -1.12 1.74 -1.35 -2.50 0.00 0.00 175.30 172.45 2pqc h PRO 385 N 7.05 0.55 -0.00 5.12 0.11 -1.77 -0.37 132.00 142.69 2pqc h PRO 385 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2pqc h PRO 385 Cb 0.95 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2pqc h PRO 385 CO 0.48 0.37 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.23 2pqc n ASP 386 N -4.83 0.17 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.38 2pqc n ASP 386 Ca 0.26 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2pqc n ASP 386 Cb 0.75 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2pqc n ASP 386 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pqc n GLY 387 N 1.10 0.44 3.76 6.12 0.00 -0.15 -4.78 105.19 111.68 2pqc n GLY 387 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2pqc n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqc s LYS 388 N -0.61 4.24 0.00 1.61 1.02 -1.26 -1.76 119.74 122.97 2pqc s LYS 388 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2pqc s LYS 388 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2pqc s LYS 388 CO 0.00 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 2pqc n GLY 389 N 1.56 1.89 3.93 -3.33 0.00 -1.26 -4.94 105.19 103.04 2pqc n GLY 389 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2pqc n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pqc s LEU 390 N 0.00 4.01 0.00 0.99 1.43 -0.93 -4.59 118.68 119.59 2pqc s LEU 390 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2pqc s LEU 390 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2pqc s LEU 390 CO 0.00 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2pqc n GLY 391 N -1.64 -1.79 2.58 -3.19 0.00 0.46 -1.35 105.19 100.26 2pqc n GLY 391 Ca -0.04 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2pqc n GLY 391 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pqc s ASN 392 N -4.00 3.06 0.47 1.61 3.84 -0.40 -4.04 114.94 115.48 2pqc s ASN 392 Ca 0.00 -1.02 0.14 0.00 0.21 0.00 0.00 52.86 52.20 2pqc s ASN 392 Cb 0.00 -0.33 1.10 0.00 -0.55 0.00 0.00 41.25 41.47 2pqc s ASN 392 CO 0.00 -0.40 2.06 0.00 -2.79 0.00 0.00 177.10 175.97 2pqc h ALA 393 N 8.40 1.82 0.00 1.71 0.00 -1.90 -2.23 119.26 127.05 2pqc h ALA 393 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pqc h ALA 393 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pqc h ALA 393 CO 0.38 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 2pqc n SER 394 N -4.42 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 106.46 2pqc n SER 394 Ca -0.02 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2pqc n SER 394 Cb 0.17 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2pqc n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pqc n GLY 395 N 0.82 0.57 3.76 5.00 0.00 -0.84 -5.01 105.19 109.49 2pqc n GLY 395 Ca 0.08 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2pqc n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 396 N -2.00 3.63 -0.05 4.61 0.00 -1.26 -4.84 121.76 121.85 2pqc s ALA 396 Ca 0.00 1.52 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 2pqc s ALA 396 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2pqc s ALA 396 CO 0.00 -0.96 0.39 0.00 0.00 0.00 0.00 175.76 175.20 2pqc s ALA 397 N -0.60 3.64 0.15 0.00 0.00 -1.26 -4.27 121.76 119.43 2pqc s ALA 397 Ca 0.57 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.96 2pqc s ALA 397 Cb -0.46 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 2pqc s ALA 397 CO 0.55 0.33 1.36 0.08 0.00 0.00 0.00 175.76 178.07 2pqc s VAL 398 N -0.50 3.25 -0.23 0.00 1.01 0.95 -4.69 120.40 120.19 2pqc s VAL 398 Ca 0.23 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 2pqc s VAL 398 Cb -0.16 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2pqc s VAL 398 CO 0.11 0.10 1.19 0.00 0.00 0.00 0.00 175.10 176.51 2pqc s ALA 399 N 0.65 3.59 -0.44 5.51 0.00 -1.26 -1.01 121.76 128.81 2pqc s ALA 399 Ca 0.61 0.26 0.23 0.00 0.00 0.00 0.00 51.96 53.06 2pqc s ALA 399 Cb -0.37 -3.64 0.22 0.00 0.00 0.00 0.00 23.12 19.33 2pqc s ALA 399 CO 0.34 -1.30 1.28 1.79 0.00 0.00 0.00 175.76 177.87 2pqc h THR 400 N 5.60 0.00 -6.48 0.00 1.35 -1.92 -3.48 112.91 107.99 2pqc h THR 400 Ca -0.24 -0.80 -0.50 0.00 -0.55 0.00 0.00 66.41 64.32 2pqc h THR 400 Cb 1.09 1.44 -0.09 0.00 -1.73 0.00 0.00 68.15 68.85 2pqc h THR 400 CO 0.99 0.00 -0.82 1.41 -0.25 0.00 0.00 175.52 176.85 2pqc n HIS 401 N -2.54 -1.91 -2.19 4.73 8.25 -1.26 -0.79 115.22 119.51 2pqc n HIS 401 Ca 0.02 0.82 -0.19 0.00 -0.26 0.00 0.00 57.72 58.12 2pqc n HIS 401 Cb 0.50 -3.60 -0.03 0.00 1.12 0.00 0.00 29.99 27.98 2pqc n HIS 401 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pqc n LEU 402 N -4.47 -1.66 -4.17 2.41 4.77 -1.26 -4.35 117.00 108.26 2pqc n LEU 402 Ca -0.06 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 2pqc n LEU 402 Cb 0.57 -2.73 -0.12 0.00 -2.33 0.00 0.00 43.42 38.80 2pqc n LEU 402 CO 0.78 -0.40 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.58 2pqc s ASP 403 N -2.19 5.17 0.38 -1.43 -1.08 0.02 -4.85 116.67 112.69 2pqc s ASP 403 Ca 0.00 -1.64 0.16 0.00 -0.52 0.00 0.00 52.55 50.55 2pqc s ASP 403 Cb 0.00 -1.80 1.05 0.00 -1.46 0.00 0.00 42.92 40.70 2pqc s ASP 403 CO 0.00 -0.42 1.76 1.12 0.52 0.00 0.00 175.17 178.15 2pqc h HIS 404 N 8.07 0.75 0.00 -5.34 2.07 -1.86 -0.40 115.15 118.45 2pqc h HIS 404 Ca -0.17 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.28 2pqc h HIS 404 Cb 1.06 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 2pqc h HIS 404 CO 0.58 0.07 -0.44 0.00 -3.07 0.00 0.00 177.93 175.06 2pqc h ARG 405 N 0.45 0.00 -0.21 5.12 3.08 -1.94 -0.47 114.38 120.41 2pqc h ARG 405 Ca 0.61 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.52 2pqc h ARG 405 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.48 2pqc h ARG 405 CO -0.34 0.44 -0.39 0.82 -1.07 0.00 0.00 179.97 179.44 2pqc h ILE 406 N 0.00 1.32 0.17 2.04 1.08 -1.39 -1.94 117.51 118.80 2pqc h ILE 406 Ca -0.00 -1.61 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 2pqc h ILE 406 Cb 1.02 1.83 -0.00 0.00 -3.07 0.00 0.00 36.82 36.60 2pqc h ILE 406 CO 0.06 0.50 -0.11 0.00 -0.69 0.00 0.00 178.15 177.91 2pqc h ALA 407 N 0.61 -0.26 -0.50 1.87 0.00 -1.23 -2.29 119.26 117.46 2pqc h ALA 407 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2pqc h ALA 407 Cb 0.98 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2pqc h ALA 407 CO 0.09 -0.65 0.01 0.52 0.00 0.00 0.00 179.25 179.21 2pqc h MET 408 N -0.27 0.83 -0.41 0.00 2.86 -1.13 -2.22 114.93 114.58 2pqc h MET 408 Ca -0.02 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2pqc h MET 408 Cb 0.22 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2pqc h MET 408 CO 0.02 0.83 0.09 0.77 1.06 0.00 0.00 176.91 179.67 2pqc h SER 409 N 0.77 0.63 0.90 1.22 0.02 -1.24 -1.59 113.55 114.27 2pqc h SER 409 Ca 0.15 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2pqc h SER 409 Cb 0.45 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2pqc h SER 409 CO 0.02 0.71 -0.50 -0.26 -1.14 0.00 0.00 176.83 175.65 2pqc h PHE 410 N 0.53 0.00 -0.45 3.45 -1.00 -1.35 -2.03 116.94 116.09 2pqc h PHE 410 Ca 0.13 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.80 2pqc h PHE 410 Cb 0.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 2pqc h PHE 410 CO 0.02 0.50 -0.14 -0.07 -1.61 0.00 0.00 178.31 177.01 2pqc h LEU 411 N 0.00 0.85 -0.83 1.54 3.38 -1.21 -2.25 115.31 116.80 2pqc h LEU 411 Ca -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2pqc h LEU 411 Cb 1.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2pqc h LEU 411 CO 0.07 1.00 0.40 0.58 0.09 0.00 0.00 178.44 180.57 2pqc h VAL 412 N 0.76 1.26 -0.90 1.22 2.07 -0.87 -2.71 116.25 117.08 2pqc h VAL 412 Ca 0.12 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 67.01 2pqc h VAL 412 Cb 0.65 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2pqc h VAL 412 CO 0.05 0.31 0.54 -0.03 0.02 0.00 0.00 177.57 178.46 2pqc h MET 413 N 1.18 0.89 0.00 1.57 1.85 -0.82 -1.31 114.93 118.28 2pqc h MET 413 Ca 0.28 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 2pqc h MET 413 Cb 0.12 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 31.95 2pqc h MET 413 CO -0.04 0.59 0.00 0.78 -0.40 0.00 0.00 176.91 177.84 2pqc h GLY 414 N 0.91 0.00 2.00 1.39 0.00 -1.10 -0.14 103.07 106.13 2pqc h GLY 414 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2pqc h GLY 414 CO -0.23 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.35 2pqc n LEU 415 N -2.86 0.06 -0.01 3.11 4.77 -0.49 -2.26 117.00 119.30 2pqc n LEU 415 Ca -0.01 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 2pqc n LEU 415 Cb 0.17 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2pqc n LEU 415 CO 0.21 -0.08 -0.59 0.52 -1.33 0.00 0.00 177.39 176.12 2pqc n VAL 416 N -1.56 0.17 -1.53 4.08 0.31 -0.19 -1.63 118.33 117.98 2pqc n VAL 416 Ca 0.06 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2pqc n VAL 416 Cb 0.31 -0.66 0.08 0.00 -0.91 0.00 0.00 33.84 32.66 2pqc n VAL 416 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2pqc s SER 417 N -4.12 4.44 0.20 4.52 1.04 -0.44 -4.78 113.70 114.57 2pqc s SER 417 Ca -0.03 2.27 -0.11 0.00 0.48 0.00 0.00 55.95 58.56 2pqc s SER 417 Cb 0.01 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.69 2pqc s SER 417 CO 0.07 -2.09 1.87 -0.08 0.98 0.00 0.00 173.24 173.99 2pqc h GLU 418 N -0.18 0.91 -6.11 4.02 4.81 -1.33 -3.41 114.58 113.28 2pqc h GLU 418 Ca -0.47 -0.05 -0.64 0.00 -0.13 0.00 0.00 59.36 58.06 2pqc h GLU 418 Cb 1.28 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 2pqc h GLU 418 CO 0.51 0.60 -0.58 -0.80 -0.73 0.00 0.00 179.01 178.01 2pqc s ASN 419 N -5.82 5.68 0.83 1.04 0.01 -0.45 -4.89 114.94 111.34 2pqc s ASN 419 Ca -0.13 0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 51.96 2pqc s ASN 419 Cb 0.14 -1.58 0.09 0.00 0.41 0.00 0.00 41.25 40.32 2pqc s ASN 419 CO 0.77 0.19 1.16 -2.84 -1.51 0.00 0.00 177.10 174.87 2pqc s PRO 420 N -2.30 1.59 -0.09 -0.60 0.02 -1.26 -4.01 135.00 128.35 2pqc s PRO 420 Ca 0.29 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.93 2pqc s PRO 420 Cb -0.12 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 2pqc s PRO 420 CO 0.22 -2.21 -0.21 0.08 -0.33 0.00 0.00 177.00 174.55 2pqc s VAL 421 N -2.42 2.40 -0.07 3.83 1.01 -0.89 -1.27 120.40 122.99 2pqc s VAL 421 Ca 0.69 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2pqc s VAL 421 Cb -0.25 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2pqc s VAL 421 CO 0.53 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 175.10 2pqc s THR 422 N 0.09 2.55 0.05 3.92 2.01 -1.26 -0.45 115.64 122.55 2pqc s THR 422 Ca -0.09 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.06 2pqc s THR 422 Cb -0.15 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2pqc s THR 422 CO 0.06 0.57 -0.03 0.68 -0.69 0.00 0.00 174.62 175.21 2pqc s VAL 423 N -0.25 3.90 -0.69 3.82 -7.23 -0.06 -0.03 120.40 119.85 2pqc s VAL 423 Ca 0.00 -0.89 0.23 0.00 -1.81 0.00 0.00 61.98 59.51 2pqc s VAL 423 Cb -0.13 -2.79 0.24 0.00 0.56 0.00 0.00 36.38 34.25 2pqc s VAL 423 CO 0.03 0.23 1.71 -0.90 -0.31 0.00 0.00 175.10 175.86 2pqc n ASP 424 N 0.96 0.52 -3.64 4.85 5.75 -0.18 -2.17 116.55 122.65 2pqc n ASP 424 Ca -0.13 0.60 -0.07 0.00 -0.01 0.00 0.00 54.79 55.18 2pqc n ASP 424 Cb 0.52 -0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 2pqc n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pqc s ASP 425 N -3.97 -0.90 0.00 -1.12 2.15 -1.25 -3.14 116.67 108.43 2pqc s ASP 425 Ca 0.07 1.45 0.10 0.00 0.43 0.00 0.00 52.55 54.60 2pqc s ASP 425 Cb 0.11 1.37 0.03 0.00 -0.30 0.00 0.00 42.92 44.13 2pqc s ASP 425 CO 0.44 -0.23 0.70 0.00 -0.17 0.00 0.00 175.17 175.90 2pqc n ALA 426 N 4.21 2.67 0.30 3.66 0.00 0.72 -4.70 120.51 127.39 2pqc n ALA 426 Ca -0.20 -0.49 0.19 0.00 0.00 0.00 0.00 53.44 52.94 2pqc n ALA 426 Cb 0.59 -0.34 0.95 0.00 0.00 0.00 0.00 19.45 20.65 2pqc n ALA 426 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2pqc h THR 427 N 1.43 0.16 -0.01 0.00 1.35 -1.96 -2.21 112.91 111.67 2pqc h THR 427 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2pqc h THR 427 Cb 0.36 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2pqc h THR 427 CO 0.00 0.03 -0.24 0.23 -0.25 0.00 0.00 175.52 175.28 2pqc n MET 428 N -3.26 0.77 0.06 4.72 2.81 -1.26 -3.97 117.12 116.99 2pqc n MET 428 Ca -0.02 -0.42 0.07 0.00 -1.81 0.00 0.00 57.70 55.52 2pqc n MET 428 Cb 0.17 -1.49 0.51 0.00 -0.71 0.00 0.00 33.22 31.70 2pqc n MET 428 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2pqc h ILE 429 N 1.04 1.03 0.00 2.02 2.04 -1.70 -1.30 117.51 120.63 2pqc h ILE 429 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2pqc h ILE 429 Cb 0.48 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2pqc h ILE 429 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.22 2pqc n ALA 430 N -2.51 1.87 0.10 1.87 0.00 -1.25 -1.41 120.51 119.18 2pqc n ALA 430 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pqc n ALA 430 Cb 0.13 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.65 2pqc n ALA 430 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2pqc h THR 431 N 0.00 1.25 0.00 0.00 1.35 -1.52 -1.01 112.91 112.98 2pqc h THR 431 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2pqc h THR 431 Cb 0.10 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2pqc h THR 431 CO 0.00 0.36 -0.17 -1.54 -0.25 0.00 0.00 175.52 173.91 2pqc n SER 432 N -4.14 0.87 -2.90 5.36 3.41 -1.11 -1.99 113.62 113.12 2pqc n SER 432 Ca -0.01 -0.16 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 2pqc n SER 432 Cb 0.38 0.50 0.03 0.00 -0.26 0.00 0.00 64.21 64.86 2pqc n SER 432 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2pqc n PHE 433 N -0.59 -2.03 0.29 7.33 -0.00 -0.50 -4.83 117.46 117.14 2pqc n PHE 433 Ca 0.00 -2.57 0.17 0.00 -0.00 0.00 0.00 57.45 55.05 2pqc n PHE 433 Cb 0.00 0.88 0.97 0.00 -0.00 0.00 0.00 39.48 41.34 2pqc n PHE 433 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2pqc h PRO 434 N 3.51 0.00 0.00 -7.13 0.13 -1.73 -1.26 132.00 125.52 2pqc h PRO 434 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2pqc h PRO 434 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2pqc h PRO 434 CO 0.32 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.48 2pqc n GLU 435 N -3.62 0.08 -0.26 0.86 4.71 -1.26 -4.42 120.64 116.73 2pqc n GLU 435 Ca -0.02 0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 57.07 2pqc n GLU 435 Cb 0.13 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.01 2pqc n GLU 435 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2pqc h PHE 436 N 0.00 -1.45 -0.26 -0.32 3.57 -1.60 0.13 116.94 117.01 2pqc h PHE 436 Ca 0.00 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2pqc h PHE 436 Cb 0.43 0.73 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2pqc h PHE 436 CO 0.00 -0.42 0.14 0.52 -2.23 0.00 0.00 178.31 176.32 2pqc h MET 437 N -0.18 0.28 -0.41 1.11 2.86 -1.84 -0.40 114.93 116.35 2pqc h MET 437 Ca 0.18 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2pqc h MET 437 Cb 0.54 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2pqc h MET 437 CO -0.77 0.18 0.13 -0.44 1.06 0.00 0.00 176.91 177.07 2pqc h ASP 438 N 0.29 0.61 -0.06 1.22 3.32 -1.73 -0.47 116.42 119.60 2pqc h ASP 438 Ca 0.10 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2pqc h ASP 438 Cb 0.01 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2pqc h ASP 438 CO -0.06 0.65 0.04 0.25 -1.72 0.00 0.00 179.24 178.40 2pqc h LEU 439 N 0.53 0.07 -0.66 1.55 6.46 -0.55 -0.35 115.31 122.36 2pqc h LEU 439 Ca 0.13 -0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 2pqc h LEU 439 Cb 0.26 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2pqc h LEU 439 CO -0.00 0.09 0.19 0.24 -0.62 0.00 0.00 178.44 178.33 2pqc h MET 440 N 0.05 1.04 -0.78 1.25 2.86 -1.05 -2.78 114.93 115.53 2pqc h MET 440 Ca 0.02 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2pqc h MET 440 Cb 0.03 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2pqc h MET 440 CO -0.00 0.92 0.41 0.00 1.06 0.00 0.00 176.91 179.30 2pqc h ALA 441 N 1.08 1.00 -0.09 6.32 0.00 -0.89 -1.21 119.26 125.46 2pqc h ALA 441 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pqc h ALA 441 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pqc h ALA 441 CO -0.00 0.52 0.00 0.78 0.00 0.00 0.00 179.25 180.55 2pqc h GLY 442 N 1.08 0.14 2.00 0.00 0.00 -0.80 -0.43 103.07 105.06 2pqc h GLY 442 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2pqc h GLY 442 CO -0.04 0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2pqc n LEU 443 N -4.46 0.30 0.00 3.11 4.77 -0.92 -4.90 117.00 114.90 2pqc n LEU 443 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2pqc n LEU 443 Cb 0.13 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2pqc n LEU 443 CO 0.35 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2pqc n GLY 444 N 1.34 1.07 3.77 -0.72 0.00 -0.17 -1.48 105.19 109.00 2pqc n GLY 444 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2pqc n GLY 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqc s ALA 445 N -2.00 3.30 -0.47 4.61 0.00 -0.50 -4.82 121.76 121.88 2pqc s ALA 445 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 2pqc s ALA 445 Cb 0.00 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.78 2pqc s ALA 445 CO 0.00 -0.69 0.34 0.15 0.00 0.00 0.00 175.76 175.56 2pqc s LYS 446 N -2.11 2.54 -0.13 0.00 1.02 -1.26 -4.24 119.74 115.56 2pqc s LYS 446 Ca 0.54 -1.70 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 2pqc s LYS 446 Cb -0.37 -3.93 0.02 0.00 -0.52 0.00 0.00 37.83 33.04 2pqc s LYS 446 CO 0.47 -1.16 -0.11 0.42 -0.92 0.00 0.00 175.35 174.06 2pqc s ILE 447 N 1.39 1.29 -0.28 2.17 1.01 -1.26 -1.43 121.20 124.08 2pqc s ILE 447 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 2pqc s ILE 447 Cb -0.26 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2pqc s ILE 447 CO 0.00 0.40 0.17 -1.61 0.00 0.00 0.00 174.94 173.91 2pqc s GLU 448 N 1.60 3.81 -0.17 2.79 0.41 0.32 -4.93 118.70 122.54 2pqc s GLU 448 Ca 0.05 -0.41 -0.21 0.00 -0.41 0.00 0.00 54.97 53.99 2pqc s GLU 448 Cb -0.13 -3.62 -0.03 0.00 -1.78 0.00 0.00 34.13 28.58 2pqc s GLU 448 CO -0.09 -0.23 0.64 -1.17 -0.49 0.00 0.00 175.26 173.92 2pqc s LEU 449 N 1.72 4.18 0.00 1.80 2.96 -1.26 -0.71 118.68 127.38 2pqc s LEU 449 Ca 0.07 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 2pqc s LEU 449 Cb -0.16 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.61 2pqc s LEU 449 CO 0.09 -0.23 0.31 -1.54 -1.32 0.00 0.00 176.35 173.66