#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkf s PRO 12 N 0.00 1.67 0.14 -0.14 0.04 -1.26 -4.56 135.00 130.89 1wkf s PRO 12 Ca 0.00 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 61.66 1wkf s PRO 12 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wkf s PRO 12 CO 0.00 -1.94 1.66 -0.09 0.04 0.00 0.00 177.00 176.67 1wkf h ARG 13 N -1.33 0.67 -1.63 4.56 2.43 -1.86 -1.88 114.38 115.34 1wkf h ARG 13 Ca -0.48 -0.14 0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1wkf h ARG 13 Cb 1.27 -0.10 -0.24 0.00 -0.42 0.00 0.00 29.97 30.49 1wkf h ARG 13 CO 0.56 0.66 0.16 0.12 -1.51 0.00 0.00 179.97 179.96 1wkf s PHE 14 N -5.41 -0.87 -0.19 2.20 5.36 -1.23 -4.10 117.98 113.75 1wkf s PHE 14 Ca -0.13 1.63 -0.05 0.00 -0.96 0.00 0.00 56.93 57.42 1wkf s PHE 14 Cb 0.11 0.52 0.09 0.00 -0.34 0.00 0.00 43.02 43.40 1wkf s PHE 14 CO 0.77 -0.43 0.34 0.45 -1.46 0.00 0.00 175.22 174.89 1wkf s SER 15 N 1.93 0.19 -0.20 6.13 0.15 -0.31 -4.96 113.70 116.63 1wkf s SER 15 Ca -0.07 0.59 -0.05 0.00 0.70 0.00 0.00 55.95 57.12 1wkf s SER 15 Cb -0.06 1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1wkf s SER 15 CO -0.18 -0.26 -0.01 0.12 1.20 0.00 0.00 173.24 174.12 1wkf s PHE 16 N 2.51 3.03 -0.05 3.44 5.36 -1.26 -0.19 117.98 130.82 1wkf s PHE 16 Ca 0.03 -0.50 0.03 0.00 -0.96 0.00 0.00 56.93 55.54 1wkf s PHE 16 Cb -0.13 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1wkf s PHE 16 CO -0.12 -0.26 -0.15 -1.54 -1.46 0.00 0.00 175.22 171.69 1wkf s SER 17 N 1.00 2.00 -0.32 6.13 1.04 -0.37 -4.99 113.70 118.19 1wkf s SER 17 Ca 0.01 -0.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1wkf s SER 17 Cb -0.14 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 1wkf s SER 17 CO 0.01 0.11 0.42 -0.63 0.98 0.00 0.00 173.24 174.13 1wkf s ILE 18 N 0.28 5.12 -0.09 -1.02 1.01 -1.26 -1.01 121.20 124.23 1wkf s ILE 18 Ca -0.08 0.32 0.15 0.00 0.00 0.00 0.00 60.65 61.04 1wkf s ILE 18 Cb -0.13 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1wkf s ILE 18 CO 0.03 -0.05 0.83 0.00 0.00 0.00 0.00 174.94 175.75 1wkf h ALA 19 N 8.36 0.68 -2.57 9.38 0.00 -1.00 -3.48 119.26 130.62 1wkf h ALA 19 Ca -0.30 -1.04 -0.06 0.00 0.00 0.00 0.00 54.91 53.51 1wkf h ALA 19 Cb 1.14 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 1wkf h ALA 19 CO 0.70 1.15 -0.03 0.00 0.00 0.00 0.00 179.25 181.07 1wkf s ALA 20 N -2.80 -1.15 0.05 0.00 0.00 -0.90 -5.01 121.76 111.95 1wkf s ALA 20 Ca -0.03 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 1wkf s ALA 20 Cb 0.08 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1wkf s ALA 20 CO 0.81 -0.52 -0.04 1.03 0.00 0.00 0.00 175.76 177.04 1wkf s ARG 21 N -2.74 0.61 -0.29 0.00 0.52 -1.26 -1.38 118.95 114.41 1wkf s ARG 21 Ca -0.04 -1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1wkf s ARG 21 Cb -0.00 0.10 0.18 0.00 0.52 0.00 0.00 34.95 35.75 1wkf s ARG 21 CO -0.04 -0.08 0.55 -2.00 0.02 0.00 0.00 175.30 173.74 1wkf s GLU 22 N -3.48 0.52 7.45 3.54 2.12 -0.56 -4.90 118.70 123.38 1wkf s GLU 22 Ca 0.04 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1wkf s GLU 22 Cb 0.04 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.71 1wkf s GLU 22 CO -0.07 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 1wkf n GLY 23 N 5.41 3.03 0.05 -1.50 0.00 -1.26 -1.40 105.19 109.52 1wkf n GLY 23 Ca -0.01 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1wkf n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkf n LYS 24 N 13.68 0.20 -2.52 1.61 5.02 -1.26 -4.91 118.16 129.98 1wkf n LYS 24 Ca 0.00 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1wkf n LYS 24 Cb 0.00 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 1wkf n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wkf s ALA 25 N -3.11 3.10 0.02 7.82 0.00 -0.49 -3.62 121.76 125.48 1wkf s ALA 25 Ca 0.09 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1wkf s ALA 25 Cb 0.15 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1wkf s ALA 25 CO 0.68 -0.24 0.31 -0.98 0.00 0.00 0.00 175.76 175.53 1wkf s ARG 26 N -2.43 0.75 0.03 0.00 3.03 -1.26 -1.49 118.95 117.57 1wkf s ARG 26 Ca 0.57 -0.35 0.06 0.00 2.03 0.00 0.00 55.73 58.03 1wkf s ARG 26 Cb -0.23 0.33 -0.02 0.00 -1.03 0.00 0.00 34.95 34.00 1wkf s ARG 26 CO 0.29 -0.23 -0.17 -0.08 -1.13 0.00 0.00 175.30 173.99 1wkf s THR 27 N -1.99 1.33 0.00 4.99 -1.32 -0.48 -4.03 115.64 114.14 1wkf s THR 27 Ca -0.09 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 1wkf s THR 27 Cb -0.03 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 1wkf s THR 27 CO 0.00 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1wkf n GLY 28 N 2.08 1.72 3.19 6.08 0.00 -0.49 -0.29 105.19 117.47 1wkf n GLY 28 Ca -0.17 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1wkf n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wkf s THR 29 N -1.12 0.14 -0.18 2.61 -4.23 -0.18 -0.93 115.64 111.75 1wkf s THR 29 Ca 0.00 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1wkf s THR 29 Cb 0.00 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.62 1wkf s THR 29 CO 0.00 -0.64 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.66 1wkf s ILE 30 N -3.55 1.84 -0.17 2.99 1.01 0.59 -1.23 121.20 122.67 1wkf s ILE 30 Ca 0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 1wkf s ILE 30 Cb 0.04 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1wkf s ILE 30 CO -0.09 0.38 0.28 -1.61 0.00 0.00 0.00 174.94 173.90 1wkf s GLU 31 N 1.35 4.24 0.21 2.79 2.02 0.74 -0.49 118.70 129.57 1wkf s GLU 31 Ca 0.02 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.09 1wkf s GLU 31 Cb -0.14 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1wkf s GLU 31 CO -0.10 0.21 0.06 -1.64 0.02 0.00 0.00 175.26 173.81 1wkf s MET 32 N 0.55 1.24 0.32 1.61 -1.94 -0.61 -1.16 119.30 119.30 1wkf s MET 32 Ca 0.16 -1.64 -0.01 0.00 -1.71 0.00 0.00 55.69 52.49 1wkf s MET 32 Cb -0.13 -0.18 0.51 0.00 2.01 0.00 0.00 34.83 37.04 1wkf s MET 32 CO 0.04 -0.24 1.98 0.87 -0.01 0.00 0.00 175.02 177.66 1wkf h LYS 33 N 2.56 1.01 -0.01 2.03 1.57 -1.49 -2.50 116.57 119.74 1wkf h LYS 33 Ca -0.37 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1wkf h LYS 33 Cb 1.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1wkf h LYS 33 CO 0.61 0.67 -0.06 0.54 -0.57 0.00 0.00 179.45 180.63 1wkf n ARG 34 N -4.42 1.23 0.00 3.15 1.74 -1.26 -4.70 116.66 112.39 1wkf n ARG 34 Ca 0.08 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1wkf n ARG 34 Cb 0.03 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1wkf n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wkf n GLY 35 N 1.18 1.56 3.83 -0.13 0.00 -0.94 -4.12 105.19 106.57 1wkf n GLY 35 Ca 0.18 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1wkf n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wkf s VAL 36 N -1.89 5.30 -0.22 1.61 1.01 -1.26 -1.57 120.40 123.38 1wkf s VAL 36 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1wkf s VAL 36 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1wkf s VAL 36 CO 0.00 0.55 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1wkf s ILE 37 N -0.66 2.89 0.03 2.22 1.01 0.36 -4.86 121.20 122.19 1wkf s ILE 37 Ca 0.18 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 1wkf s ILE 37 Cb -0.14 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 1wkf s ILE 37 CO 0.07 0.39 0.69 -0.13 0.00 0.00 0.00 174.94 175.96 1wkf s ARG 38 N 1.39 4.42 0.07 2.79 0.52 -1.26 -0.30 118.95 126.57 1wkf s ARG 38 Ca 0.04 0.93 0.08 0.00 -0.52 0.00 0.00 55.73 56.26 1wkf s ARG 38 Cb -0.15 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1wkf s ARG 38 CO -0.06 0.34 -0.22 0.95 0.02 0.00 0.00 175.30 176.33 1wkf s THR 39 N -0.18 1.79 0.34 0.02 -4.23 -0.10 -3.63 115.64 109.65 1wkf s THR 39 Ca 0.35 -1.37 -0.28 0.00 -1.18 0.00 0.00 61.69 59.21 1wkf s THR 39 Cb -0.20 -1.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.95 1wkf s THR 39 CO 0.21 0.14 1.32 -2.65 -0.54 0.00 0.00 174.62 173.10 1wkf n PRO 40 N 1.54 2.20 -4.96 3.99 -0.02 -1.26 -1.40 135.00 135.09 1wkf n PRO 40 Ca -0.18 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 1wkf n PRO 40 Cb 0.53 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 1wkf n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wkf s ALA 41 N -1.05 2.00 -0.12 3.55 0.00 0.10 -4.86 121.76 121.38 1wkf s ALA 41 Ca 0.56 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1wkf s ALA 41 Cb -0.56 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1wkf s ALA 41 CO 0.62 0.48 -0.13 0.12 0.00 0.00 0.00 175.76 176.84 1wkf s PHE 42 N -0.69 2.80 -0.23 0.00 5.36 -1.26 -0.68 117.98 123.29 1wkf s PHE 42 Ca 0.10 -0.61 -0.05 0.00 -0.96 0.00 0.00 56.93 55.40 1wkf s PHE 42 Cb -0.09 -1.83 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1wkf s PHE 42 CO 0.01 -0.18 -0.01 -1.64 -1.46 0.00 0.00 175.22 171.94 1wkf s MET 43 N 0.28 3.47 0.48 10.12 -1.94 0.97 -4.76 119.30 127.92 1wkf s MET 43 Ca -0.10 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.09 1wkf s MET 43 Cb -0.16 -3.11 -0.07 0.00 2.01 0.00 0.00 34.83 33.51 1wkf s MET 43 CO 0.05 -0.19 1.20 -2.14 -0.01 0.00 0.00 175.02 173.94 1wkf s PRO 44 N 1.51 3.59 -0.11 2.03 0.02 -1.25 -4.00 135.00 136.79 1wkf s PRO 44 Ca 0.06 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 1wkf s PRO 44 Cb -0.14 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 1wkf s PRO 44 CO -0.01 -0.71 0.57 0.08 -0.33 0.00 0.00 177.00 176.60 1wkf s VAL 45 N -1.51 5.12 -0.50 3.83 1.01 -1.26 -1.01 120.40 126.08 1wkf s VAL 45 Ca 0.66 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 1wkf s VAL 45 Cb -0.31 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.30 1wkf s VAL 45 CO 0.37 0.27 0.28 -0.83 0.00 0.00 0.00 175.10 175.18 1wkf s GLY 46 N 0.77 2.27 0.01 4.51 0.00 0.18 -4.40 107.32 110.67 1wkf s GLY 46 Ca 0.30 -2.97 -0.12 0.00 0.00 0.00 0.00 44.72 41.93 1wkf s GLY 46 CO 0.13 1.04 0.93 -0.84 0.00 0.00 0.00 173.10 174.36 1wkf h THR 47 N 5.82 0.00 -2.28 0.90 2.02 -1.77 -3.31 112.91 114.28 1wkf h THR 47 Ca -0.06 -0.11 -0.72 0.00 0.77 0.00 0.00 66.41 66.29 1wkf h THR 47 Cb 0.97 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 67.05 1wkf h THR 47 CO 0.67 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.92 1wkf n ALA 48 N -2.30 5.49 -2.58 6.16 0.00 -1.26 -4.45 120.51 121.57 1wkf n ALA 48 Ca -0.05 -4.66 -0.20 0.00 0.00 0.00 0.00 53.44 48.53 1wkf n ALA 48 Cb 0.17 -1.61 0.01 0.00 0.00 0.00 0.00 19.45 18.02 1wkf n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wkf n ALA 49 N -0.09 -0.70 -3.64 0.00 0.00 -1.26 -4.98 120.51 109.85 1wkf n ALA 49 Ca 0.40 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 1wkf n ALA 49 Cb 0.31 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 1wkf n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wkf s THR 50 N -3.04 0.00 -0.42 0.00 -1.32 -1.26 -4.71 115.64 104.88 1wkf s THR 50 Ca 0.10 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.32 1wkf s THR 50 Cb -0.04 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1wkf s THR 50 CO 0.12 0.00 0.90 -0.69 -2.21 0.00 0.00 174.62 172.74 1wkf s VAL 51 N 0.94 4.54 -0.48 5.08 1.01 -1.26 -3.03 120.40 127.20 1wkf s VAL 51 Ca -0.04 0.87 -0.45 0.00 0.00 0.00 0.00 61.98 62.36 1wkf s VAL 51 Cb -0.05 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 1wkf s VAL 51 CO -0.09 -0.70 1.60 0.29 0.00 0.00 0.00 175.10 176.20 1wkf n LYS 52 N 6.95 0.00 -1.16 2.72 5.02 -1.26 -1.76 118.16 128.66 1wkf n LYS 52 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1wkf n LYS 52 Cb 0.48 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 1wkf n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wkf n ALA 53 N 4.22 -0.09 -2.85 7.82 0.00 -1.26 -4.96 120.51 123.40 1wkf n ALA 53 Ca 0.32 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1wkf n ALA 53 Cb -0.06 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.27 1wkf n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wkf s LEU 54 N -1.28 1.90 0.46 0.00 1.43 -0.72 -4.56 118.68 115.91 1wkf s LEU 54 Ca 0.00 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 1wkf s LEU 54 Cb 0.00 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 1wkf s LEU 54 CO 0.00 0.09 1.04 -0.54 0.23 0.00 0.00 176.35 177.16 1wkf s LYS 55 N -0.01 3.90 0.29 1.70 1.02 -1.26 -4.47 119.74 120.91 1wkf s LYS 55 Ca 0.00 1.38 0.02 0.00 0.02 0.00 0.00 55.97 57.40 1wkf s LYS 55 Cb -0.06 -2.20 0.61 0.00 -0.52 0.00 0.00 37.83 35.66 1wkf s LYS 55 CO -0.00 -0.35 1.81 -1.35 -0.92 0.00 0.00 175.35 174.55 1wkf h PRO 56 N 1.79 0.88 -0.12 -1.68 0.11 -1.85 0.26 132.00 131.38 1wkf h PRO 56 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1wkf h PRO 56 Cb 1.22 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1wkf h PRO 56 CO 0.60 0.58 0.07 1.05 -0.21 0.00 0.00 178.00 180.09 1wkf h GLU 57 N 0.91 0.16 -0.08 1.05 4.11 -1.92 -0.14 114.58 118.66 1wkf h GLU 57 Ca 0.52 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.70 1wkf h GLU 57 Cb 0.62 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1wkf h GLU 57 CO -0.31 0.12 -0.88 1.15 0.07 0.00 0.00 179.01 179.17 1wkf h THR 58 N 0.17 1.30 -0.74 -1.06 2.02 -0.88 -0.79 112.91 112.92 1wkf h THR 58 Ca 0.04 -2.13 0.02 0.00 0.77 0.00 0.00 66.41 65.11 1wkf h THR 58 Cb 0.00 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1wkf h THR 58 CO -0.01 0.66 0.48 0.58 0.37 0.00 0.00 175.52 177.61 1wkf h VAL 59 N 0.43 1.15 -0.44 3.16 2.07 -0.67 -2.03 116.25 119.93 1wkf h VAL 59 Ca -0.08 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 1wkf h VAL 59 Cb 1.51 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wkf h VAL 59 CO 0.17 0.18 -0.27 -0.09 0.02 0.00 0.00 177.57 177.58 1wkf h ARG 60 N 0.97 0.94 0.00 1.57 9.65 -0.96 -3.00 114.38 123.54 1wkf h ARG 60 Ca 0.28 -0.43 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1wkf h ARG 60 Cb -0.06 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1wkf h ARG 60 CO -0.08 1.09 -0.00 0.00 2.80 0.00 0.00 179.97 183.77 1wkf h ALA 61 N 0.88 1.94 0.00 2.80 0.00 -0.56 -0.48 119.26 123.84 1wkf h ALA 61 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wkf h ALA 61 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wkf h ALA 61 CO 0.07 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.58 1wkf n THR 62 N -4.45 0.55 0.00 0.00 -2.24 -0.82 -4.90 114.28 102.42 1wkf n THR 62 Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wkf n THR 62 Cb 0.09 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1wkf n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkf n GLY 63 N 0.81 0.99 3.73 3.38 0.00 -0.19 -4.68 105.19 109.23 1wkf n GLY 63 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1wkf n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkf s ALA 64 N -2.00 3.79 -0.21 4.61 0.00 -1.21 -4.91 121.76 121.83 1wkf s ALA 64 Ca 0.00 1.46 0.22 0.00 0.00 0.00 0.00 51.96 53.64 1wkf s ALA 64 Cb 0.00 -3.64 -0.29 0.00 0.00 0.00 0.00 23.12 19.20 1wkf s ALA 64 CO 0.00 -0.85 0.60 -0.25 0.00 0.00 0.00 175.76 175.26 1wkf n ASP 65 N 3.35 0.22 -3.66 0.00 8.00 -1.26 -4.62 116.55 118.59 1wkf n ASP 65 Ca 0.12 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 1wkf n ASP 65 Cb 0.38 1.71 -0.08 0.00 -0.02 0.00 0.00 41.12 43.11 1wkf n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1wkf s ILE 66 N -3.42 0.02 0.33 0.53 2.07 -1.26 -4.10 121.20 115.36 1wkf s ILE 66 Ca -0.05 -0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.13 1wkf s ILE 66 Cb 0.14 -0.79 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 1wkf s ILE 66 CO 0.89 -0.08 -0.06 0.27 -1.91 0.00 0.00 174.94 174.06 1wkf s ILE 67 N -0.68 1.92 -0.09 2.00 -4.36 -1.17 -3.90 121.20 114.92 1wkf s ILE 67 Ca -0.08 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.19 1wkf s ILE 67 Cb -0.03 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1wkf s ILE 67 CO 0.05 -0.20 -0.11 -0.22 0.24 0.00 0.00 174.94 174.70 1wkf s LEU 68 N -3.55 2.90 0.14 0.37 0.20 -0.18 -1.47 118.68 117.08 1wkf s LEU 68 Ca 0.32 -0.18 0.10 0.00 0.69 0.00 0.00 54.13 55.05 1wkf s LEU 68 Cb 0.04 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1wkf s LEU 68 CO 0.15 0.28 -0.21 -0.83 -0.29 0.00 0.00 176.35 175.45 1wkf s GLY 69 N -0.30 1.67 -0.11 7.98 0.00 0.51 0.50 107.32 117.57 1wkf s GLY 69 Ca 0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 1wkf s GLY 69 CO 0.03 -1.44 -0.02 0.54 0.00 0.00 0.00 173.10 172.20 1wkf s ASN 70 N -2.29 4.98 0.48 1.64 6.03 -1.25 -0.87 114.94 123.66 1wkf s ASN 70 Ca 0.18 0.01 0.28 0.00 -1.03 0.00 0.00 52.86 52.30 1wkf s ASN 70 Cb -0.10 -1.55 1.05 0.00 -3.03 0.00 0.00 41.25 37.62 1wkf s ASN 70 CO 0.10 0.29 1.87 0.74 -2.03 0.00 0.00 177.10 178.06 1wkf h THR 71 N 4.58 0.31 0.42 0.54 2.02 -1.83 -3.19 112.91 115.77 1wkf h THR 71 Ca -0.42 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1wkf h THR 71 Cb 1.19 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1wkf h THR 71 CO 0.58 0.13 -0.20 0.22 0.37 0.00 0.00 175.52 176.61 1wkf h TYR 72 N 0.00 -0.53 -0.23 3.16 3.20 -1.86 -2.69 116.97 118.03 1wkf h TYR 72 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1wkf h TYR 72 Cb 0.67 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1wkf h TYR 72 CO 0.00 -0.33 0.12 0.45 -1.64 0.00 0.00 178.16 176.76 1wkf h HIS 73 N -1.09 0.22 -0.27 -3.82 -0.00 -1.86 -2.69 115.15 105.64 1wkf h HIS 73 Ca -0.06 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 1wkf h HIS 73 Cb 0.44 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1wkf h HIS 73 CO 0.01 0.13 0.03 -0.07 -0.00 0.00 0.00 177.93 178.02 1wkf h LEU 74 N 0.25 0.36 -1.19 2.43 3.38 -1.63 0.02 115.31 118.94 1wkf h LEU 74 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1wkf h LEU 74 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wkf h LEU 74 CO -0.06 0.41 -0.34 -0.03 0.09 0.00 0.00 178.44 178.51 1wkf h MET 75 N 0.39 0.11 0.00 1.13 1.85 -1.16 0.32 114.93 117.58 1wkf h MET 75 Ca 0.09 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1wkf h MET 75 Cb 0.22 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1wkf h MET 75 CO 0.00 0.44 -0.00 -0.07 -0.40 0.00 0.00 176.91 176.89 1wkf h LEU 76 N 0.10 -0.00 -7.48 3.39 3.38 -1.07 -3.35 115.31 110.27 1wkf h LEU 76 Ca 0.01 -0.63 -0.35 0.00 0.09 0.00 0.00 57.88 57.00 1wkf h LEU 76 Cb 0.65 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.04 1wkf h LEU 76 CO 0.05 0.81 -0.74 -0.13 0.09 0.00 0.00 178.44 178.52 1wkf s ARG 77 N -1.98 0.14 0.00 1.13 0.52 -0.09 -4.12 118.95 114.54 1wkf s ARG 77 Ca -0.12 0.20 0.22 0.00 -0.52 0.00 0.00 55.73 55.51 1wkf s ARG 77 Cb -0.02 -0.48 0.79 0.00 0.52 0.00 0.00 34.95 35.75 1wkf s ARG 77 CO 0.44 -0.22 1.57 -0.35 0.02 0.00 0.00 175.30 176.76 1wkf n PRO 78 N 4.60 1.74 0.00 3.54 -0.04 -1.19 -3.72 135.00 139.93 1wkf n PRO 78 Ca -0.18 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1wkf n PRO 78 Cb 0.50 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1wkf n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wkf n GLY 79 N 1.14 2.71 0.12 0.55 0.00 0.11 -4.62 105.19 105.20 1wkf n GLY 79 Ca 0.17 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1wkf n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkf h ALA 80 N 0.00 0.02 -0.60 4.61 0.00 -1.72 -1.95 119.26 119.63 1wkf h ALA 80 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wkf h ALA 80 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1wkf h ALA 80 CO 0.00 -0.53 0.39 0.93 0.00 0.00 0.00 179.25 180.04 1wkf h GLU 81 N -0.07 0.76 -0.49 0.00 3.07 -1.93 -1.10 114.58 114.82 1wkf h GLU 81 Ca 0.07 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1wkf h GLU 81 Cb 0.17 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1wkf h GLU 81 CO -0.15 0.51 0.32 -0.09 -1.40 0.00 0.00 179.01 178.19 1wkf h ARG 82 N 0.79 0.64 -0.45 2.33 2.43 -1.76 -1.03 114.38 117.32 1wkf h ARG 82 Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1wkf h ARG 82 Cb -0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1wkf h ARG 82 CO -0.06 0.42 0.23 0.82 -1.51 0.00 0.00 179.97 179.87 1wkf h ILE 83 N 0.65 1.17 -0.30 1.20 2.04 -1.02 -0.52 117.51 120.75 1wkf h ILE 83 Ca 0.18 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1wkf h ILE 83 Cb -0.07 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1wkf h ILE 83 CO -0.04 0.18 0.05 0.00 0.00 0.00 0.00 178.15 178.34 1wkf h ALA 84 N 1.08 0.31 -0.81 1.87 0.00 -0.96 0.82 119.26 121.57 1wkf h ALA 84 Ca 0.16 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1wkf h ALA 84 Cb 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1wkf h ALA 84 CO -0.02 -0.36 0.53 -0.22 0.00 0.00 0.00 179.25 179.18 1wkf h LYS 85 N 0.16 0.84 0.00 0.00 3.64 -0.73 0.97 116.57 121.46 1wkf h LYS 85 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1wkf h LYS 85 Cb 0.15 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1wkf h LYS 85 CO -0.19 0.56 0.00 1.28 -2.27 0.00 0.00 179.45 178.83 1wkf n LEU 86 N -4.49 0.00 0.00 5.20 4.32 -0.24 -4.86 117.00 116.92 1wkf n LEU 86 Ca 0.12 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1wkf n LEU 86 Cb 0.23 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1wkf n LEU 86 CO 0.33 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1wkf n GLY 87 N 0.71 0.94 0.00 -0.72 0.00 0.33 -4.78 105.19 101.67 1wkf n GLY 87 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wkf n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkf n GLY 88 N -0.69 2.19 0.19 -0.02 0.00 0.20 -4.55 105.19 102.50 1wkf n GLY 88 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 1wkf n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wkf h LEU 89 N 0.00 0.47 -0.06 0.99 5.85 -1.24 -0.11 115.31 121.21 1wkf h LEU 89 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1wkf h LEU 89 Cb 0.00 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1wkf h LEU 89 CO 0.00 0.34 -0.18 0.45 -0.34 0.00 0.00 178.44 178.71 1wkf h HIS 90 N 0.57 -0.47 -0.57 1.25 3.86 -1.77 -0.26 115.15 117.75 1wkf h HIS 90 Ca 0.17 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1wkf h HIS 90 Cb -0.02 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1wkf h HIS 90 CO -0.06 -0.26 0.11 1.03 0.86 0.00 0.00 177.93 179.62 1wkf h SER 91 N -0.26 0.90 0.29 2.45 0.87 -1.77 -0.15 113.55 115.87 1wkf h SER 91 Ca 0.07 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1wkf h SER 91 Cb 0.36 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1wkf h SER 91 CO -0.21 0.92 -0.20 0.15 -0.53 0.00 0.00 176.83 176.95 1wkf h PHE 92 N 0.84 -0.54 -0.00 2.24 3.57 -0.34 -3.17 116.94 119.54 1wkf h PHE 92 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1wkf h PHE 92 Cb 0.39 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1wkf h PHE 92 CO 0.03 -0.31 -0.43 0.00 -2.23 0.00 0.00 178.31 175.36 1wkf n MET 93 N -5.33 0.39 -1.80 1.11 0.00 -0.17 -4.98 117.12 106.34 1wkf n MET 93 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.37 1wkf n MET 93 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.97 1wkf n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wkf n GLY 94 N 1.43 0.42 3.16 3.17 0.00 -0.15 -4.72 105.19 108.50 1wkf n GLY 94 Ca 0.08 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1wkf n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wkf s TRP 95 N -2.00 3.13 -2.80 1.61 -0.11 -0.72 -4.73 118.94 113.31 1wkf s TRP 95 Ca 0.00 -1.81 0.24 0.00 1.22 0.00 0.00 56.10 55.76 1wkf s TRP 95 Cb 0.00 -2.03 0.38 0.00 -1.50 0.00 0.00 33.47 30.32 1wkf s TRP 95 CO 0.00 -0.79 1.37 -0.40 -4.62 0.00 0.00 176.95 172.51 1wkf n ASP 96 N 4.60 2.83 -4.80 5.86 5.68 -1.26 -4.36 116.55 125.10 1wkf n ASP 96 Ca -0.16 -1.92 -0.22 0.00 -0.50 0.00 0.00 54.79 51.99 1wkf n ASP 96 Cb 0.45 -0.05 0.10 0.00 -1.14 0.00 0.00 41.12 40.48 1wkf n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1wkf s ARG 97 N -1.90 1.83 0.59 0.11 0.52 -1.26 -4.88 118.95 113.97 1wkf s ARG 97 Ca 0.32 -1.39 -0.20 0.00 -0.52 0.00 0.00 55.73 53.93 1wkf s ARG 97 Cb 0.21 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1wkf s ARG 97 CO 0.31 -1.29 1.27 -0.35 0.02 0.00 0.00 175.30 175.25 1wkf n PRO 98 N -2.64 1.35 -4.40 3.54 -0.04 -1.26 -4.96 135.00 126.59 1wkf n PRO 98 Ca 0.16 0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 1wkf n PRO 98 Cb 0.61 -2.48 -0.16 0.00 -0.04 0.00 0.00 33.50 31.42 1wkf n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wkf s ILE 99 N -1.36 0.88 -0.20 0.52 1.01 -1.26 -3.02 121.20 117.77 1wkf s ILE 99 Ca 0.76 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.01 1wkf s ILE 99 Cb -0.41 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1wkf s ILE 99 CO 0.46 0.30 0.07 -0.22 0.00 0.00 0.00 174.94 175.54 1wkf s LEU 100 N 0.78 3.71 -0.19 2.97 0.20 -0.55 -1.22 118.68 124.40 1wkf s LEU 100 Ca -0.13 0.00 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 1wkf s LEU 100 Cb -0.15 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1wkf s LEU 100 CO 0.02 0.12 0.02 0.42 -0.29 0.00 0.00 176.35 176.64 1wkf s THR 101 N 0.72 4.28 0.58 3.68 -4.23 -0.48 -0.36 115.64 119.83 1wkf s THR 101 Ca 0.03 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.15 1wkf s THR 101 Cb -0.13 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1wkf s THR 101 CO 0.02 0.45 1.18 -0.62 -0.54 0.00 0.00 174.62 175.11 1wkf s ASP 102 N 0.65 5.34 0.00 3.99 2.15 -0.05 -3.10 116.67 125.65 1wkf s ASP 102 Ca 0.01 2.30 0.28 0.00 0.43 0.00 0.00 52.55 55.57 1wkf s ASP 102 Cb -0.14 -2.59 1.28 0.00 -0.30 0.00 0.00 42.92 41.17 1wkf s ASP 102 CO 0.02 -1.49 1.93 -1.54 -0.17 0.00 0.00 175.17 173.92 1wkf n SER 103 N -1.55 0.00 0.00 -0.34 3.41 -1.26 -2.79 113.62 111.09 1wkf n SER 103 Ca 0.13 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1wkf n SER 103 Cb 0.50 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1wkf n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wkf n GLY 104 N 1.31 1.33 0.31 5.00 0.00 -1.26 -4.77 105.19 107.11 1wkf n GLY 104 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1wkf n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wkf h GLY 105 N 0.00 1.18 1.78 -0.02 0.00 -1.91 -1.27 103.07 102.83 1wkf h GLY 105 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1wkf h GLY 105 CO 0.00 0.37 -0.56 -1.82 0.00 0.00 0.00 176.54 174.53 1wkf h TYR 106 N 1.06 0.28 0.03 5.60 3.20 -1.93 -3.20 116.97 122.02 1wkf h TYR 106 Ca 0.32 -0.10 -0.22 0.00 3.14 0.00 0.00 58.73 61.87 1wkf h TYR 106 Cb -0.04 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1wkf h TYR 106 CO -0.02 0.74 -1.00 1.96 -1.64 0.00 0.00 178.16 178.20 1wkf h GLN 107 N 0.17 0.13 -0.48 1.82 7.50 -1.94 -2.25 115.11 120.06 1wkf h GLN 107 Ca -0.00 -0.19 0.04 0.00 0.50 0.00 0.00 58.65 59.01 1wkf h GLN 107 Cb 1.04 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.61 1wkf h GLN 107 CO 0.09 1.02 0.32 -0.24 -1.50 0.00 0.00 178.83 178.52 1wkf h VAL 108 N 0.06 1.01 0.00 -0.54 3.04 -1.26 0.23 116.25 118.78 1wkf h VAL 108 Ca -0.05 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1wkf h VAL 108 Cb 1.69 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1wkf h VAL 108 CO 0.15 0.09 -0.82 0.80 -1.01 0.00 0.00 177.57 176.77 1wkf n MET 109 N -4.48 0.24 -0.07 4.17 0.00 -1.17 -3.45 117.12 112.36 1wkf n MET 109 Ca 0.06 0.03 -0.07 0.00 -0.00 0.00 0.00 57.70 57.71 1wkf n MET 109 Cb 0.19 -1.61 -0.11 0.00 0.00 0.00 0.00 33.22 31.70 1wkf n MET 109 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1wkf n SER 110 N -1.93 1.56 -0.03 6.12 7.64 -0.46 -4.74 113.62 121.77 1wkf n SER 110 Ca 0.03 -0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.91 1wkf n SER 110 Cb 0.42 0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 64.42 1wkf n SER 110 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wkf n LEU 111 N -2.54 0.61 -4.89 -3.43 4.77 0.69 -5.05 117.00 107.16 1wkf n LEU 111 Ca -0.23 -0.76 -0.30 0.00 -0.03 0.00 0.00 56.01 54.69 1wkf n LEU 111 Cb 0.96 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.00 1wkf n LEU 111 CO 0.29 0.14 0.17 -0.44 -1.33 0.00 0.00 177.39 176.23 1wkf s SER 112 N -0.62 6.51 0.12 -1.43 0.01 -1.21 -4.18 113.70 112.89 1wkf s SER 112 Ca 0.01 0.75 -0.10 0.00 1.31 0.00 0.00 55.95 57.92 1wkf s SER 112 Cb 0.01 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 64.02 1wkf s SER 112 CO 0.04 -0.11 0.45 -0.44 0.41 0.00 0.00 173.24 173.59 1wkf s SER 113 N -2.80 6.67 -0.98 2.44 0.01 -0.18 -4.61 113.70 114.25 1wkf s SER 113 Ca 0.44 0.86 -0.14 0.00 1.31 0.00 0.00 55.95 58.42 1wkf s SER 113 Cb -0.11 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.94 1wkf s SER 113 CO 0.26 0.11 0.63 0.18 0.41 0.00 0.00 173.24 174.83 1wkf n LEU 114 N 0.64 -1.10 -4.76 2.44 4.77 -1.26 -0.77 117.00 116.97 1wkf n LEU 114 Ca -0.06 -1.12 -0.40 0.00 -0.03 0.00 0.00 56.01 54.41 1wkf n LEU 114 Cb 0.52 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 1wkf n LEU 114 CO 0.43 0.59 0.82 0.28 -1.33 0.00 0.00 177.39 178.18 1wkf s THR 115 N -3.21 3.36 -0.28 -5.08 -1.32 -1.26 -4.35 115.64 103.50 1wkf s THR 115 Ca 0.20 1.37 0.02 0.00 -1.21 0.00 0.00 61.69 62.07 1wkf s THR 115 Cb -0.11 -3.87 0.08 0.00 -1.51 0.00 0.00 72.50 67.09 1wkf s THR 115 CO 0.93 0.33 0.00 -0.75 -2.21 0.00 0.00 174.62 172.92 1wkf s LYS 116 N -1.51 1.45 0.19 7.08 2.20 0.17 -4.96 119.74 124.35 1wkf s LYS 116 Ca 0.45 -1.30 -0.25 0.00 -0.36 0.00 0.00 55.97 54.52 1wkf s LYS 116 Cb -0.33 -2.67 -0.08 0.00 -1.51 0.00 0.00 37.83 33.23 1wkf s LYS 116 CO 0.43 -0.77 0.79 -0.65 -0.36 0.00 0.00 175.35 174.78 1wkf s GLN 117 N 1.27 4.53 0.22 4.03 -1.52 -1.26 -1.22 119.66 125.70 1wkf s GLN 117 Ca 0.02 1.14 -0.22 0.00 -1.95 0.00 0.00 55.36 54.34 1wkf s GLN 117 Cb -0.19 -3.16 0.04 0.00 -0.22 0.00 0.00 33.01 29.49 1wkf s GLN 117 CO -0.10 0.52 0.70 -1.54 -0.25 0.00 0.00 175.29 174.61 1wkf s SER 118 N -1.27 -0.36 0.50 5.90 1.04 -0.01 -5.00 113.70 114.50 1wkf s SER 118 Ca 0.38 -0.37 0.26 0.00 0.48 0.00 0.00 55.95 56.70 1wkf s SER 118 Cb -0.22 0.66 1.35 0.00 0.10 0.00 0.00 66.02 67.91 1wkf s SER 118 CO 0.25 -1.17 2.03 -0.08 0.98 0.00 0.00 173.24 175.25 1wkf h GLU 119 N 2.00 0.00 0.00 4.02 4.57 -2.02 -2.28 114.58 120.87 1wkf h GLU 119 Ca -0.25 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.76 1wkf h GLU 119 Cb 1.27 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1wkf h GLU 119 CO 0.29 0.14 -0.83 1.49 -1.18 0.00 0.00 179.01 178.92 1wkf h GLU 120 N 0.00 0.00 0.00 1.92 4.81 -1.98 -3.50 114.58 115.83 1wkf h GLU 120 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wkf h GLU 120 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wkf h GLU 120 CO 0.02 0.83 0.00 0.41 -0.73 0.00 0.00 179.01 179.53 1wkf n GLY 121 N 1.00 -0.35 2.96 1.92 0.00 -0.86 -4.45 105.19 105.42 1wkf n GLY 121 Ca -0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1wkf n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkf s VAL 122 N -4.00 0.54 -0.07 1.61 0.11 -0.11 -0.83 120.40 117.65 1wkf s VAL 122 Ca 0.00 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1wkf s VAL 122 Cb 0.00 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1wkf s VAL 122 CO 0.00 0.17 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.05 1wkf s THR 123 N 0.15 4.25 0.25 5.04 2.01 -0.36 -1.20 115.64 125.78 1wkf s THR 123 Ca -0.02 -0.32 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 1wkf s THR 123 Cb -0.06 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.66 1wkf s THR 123 CO -0.00 0.56 0.62 0.72 -0.69 0.00 0.00 174.62 175.83 1wkf s PHE 124 N -0.92 -0.08 -0.19 4.92 -0.71 -0.10 0.42 117.98 121.32 1wkf s PHE 124 Ca 0.14 -0.32 -0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1wkf s PHE 124 Cb -0.11 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1wkf s PHE 124 CO 0.04 -1.09 -0.02 0.15 -1.34 0.00 0.00 175.22 172.96 1wkf s LYS 125 N -3.92 3.61 0.29 1.99 1.02 0.05 -3.75 119.74 119.03 1wkf s LYS 125 Ca 0.12 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 1wkf s LYS 125 Cb -0.03 -3.02 -0.12 0.00 -0.52 0.00 0.00 37.83 34.13 1wkf s LYS 125 CO 0.04 0.06 1.47 0.45 -0.92 0.00 0.00 175.35 176.45 1wkf n SER 126 N 4.09 3.25 -0.80 2.83 2.88 -1.23 -1.02 113.62 123.62 1wkf n SER 126 Ca -0.17 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1wkf n SER 126 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1wkf n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wkf n HIS 127 N 1.64 0.00 -0.61 0.66 1.44 -1.26 -3.90 115.22 113.20 1wkf n HIS 127 Ca 0.09 -0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1wkf n HIS 127 Cb 0.35 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.29 1wkf n HIS 127 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1wkf n LEU 128 N 0.40 0.00 -2.69 2.39 -0.00 -1.26 -5.06 117.00 110.78 1wkf n LEU 128 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1wkf n LEU 128 Cb 0.33 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.80 1wkf n LEU 128 CO 0.00 0.00 0.46 -0.67 -0.00 0.00 0.00 177.39 177.18 1wkf n ASP 129 N 0.00 -1.75 0.00 1.45 2.03 -1.25 -5.10 116.55 111.93 1wkf n ASP 129 Ca 0.00 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1wkf n ASP 129 Cb 0.00 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 1wkf n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wkf n GLY 130 N 2.08 1.64 2.69 0.27 0.00 -1.26 -4.71 105.19 105.89 1wkf n GLY 130 Ca 0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 1wkf n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wkf n SER 131 N 5.60 -1.73 -4.55 1.61 2.88 -1.26 -3.56 113.62 112.61 1wkf n SER 131 Ca 0.00 -2.23 -0.24 0.00 -1.33 0.00 0.00 58.87 55.07 1wkf n SER 131 Cb 0.00 1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 64.46 1wkf n SER 131 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wkf n ARG 132 N 1.45 0.70 -0.14 -1.46 3.00 -1.26 -4.48 116.66 114.47 1wkf n ARG 132 Ca 0.03 -0.42 -0.09 0.00 -0.01 0.00 0.00 57.85 57.36 1wkf n ARG 132 Cb 0.69 -3.36 0.06 0.00 0.00 0.00 0.00 32.46 29.85 1wkf n ARG 132 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 1wkf h HIS 133 N 15.48 1.02 -4.08 -1.55 2.07 -1.97 -3.40 115.15 122.72 1wkf h HIS 133 Ca -0.10 -0.21 -0.69 0.00 -2.85 0.00 0.00 60.37 56.52 1wkf h HIS 133 Cb 1.13 -0.25 -0.29 0.00 2.57 0.00 0.00 27.41 30.58 1wkf h HIS 133 CO 1.09 0.98 -0.84 1.41 -3.07 0.00 0.00 177.93 177.49 1wkf s MET 134 N -4.78 2.53 -0.14 5.12 1.75 -1.26 -0.92 119.30 121.60 1wkf s MET 134 Ca -0.10 -0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 53.46 1wkf s MET 134 Cb 0.13 -2.24 0.06 0.00 2.84 0.00 0.00 34.83 35.62 1wkf s MET 134 CO 0.85 0.46 0.12 -1.17 -0.65 0.00 0.00 175.02 174.63 1wkf s LEU 135 N -0.35 0.14 0.38 4.11 2.96 -0.34 -4.97 118.68 120.60 1wkf s LEU 135 Ca 0.02 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1wkf s LEU 135 Cb -0.12 -0.00 -0.05 0.00 0.50 0.00 0.00 46.19 46.51 1wkf s LEU 135 CO 0.02 -0.31 0.06 -0.94 -1.32 0.00 0.00 176.35 173.86 1wkf s SER 136 N 2.21 2.90 0.25 3.68 1.04 -1.26 -0.93 113.70 121.58 1wkf s SER 136 Ca 0.04 -1.46 -0.04 0.00 0.48 0.00 0.00 55.95 54.96 1wkf s SER 136 Cb -0.15 0.04 0.38 0.00 0.10 0.00 0.00 66.02 66.40 1wkf s SER 136 CO -0.08 -0.67 1.83 -0.65 0.98 0.00 0.00 173.24 174.65 1wkf h PRO 137 N 1.91 0.87 0.00 4.02 0.11 -1.90 -0.69 132.00 136.32 1wkf h PRO 137 Ca -0.41 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1wkf h PRO 137 Cb 1.26 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1wkf h PRO 137 CO 0.70 0.57 -0.85 1.05 -0.21 0.00 0.00 178.00 179.26 1wkf h GLU 138 N 0.89 0.03 -0.35 1.05 9.09 -1.93 -2.75 114.58 120.62 1wkf h GLU 138 Ca 0.40 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.61 1wkf h GLU 138 Cb 0.28 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1wkf h GLU 138 CO -0.21 0.86 -0.43 -0.09 0.05 0.00 0.00 179.01 179.18 1wkf h ARG 139 N 0.01 0.90 0.08 1.06 9.65 -1.85 -1.53 114.38 122.70 1wkf h ARG 139 Ca -0.01 -0.51 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1wkf h ARG 139 Cb 1.49 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1wkf h ARG 139 CO 0.11 1.16 -0.04 1.03 2.80 0.00 0.00 179.97 185.03 1wkf h SER 140 N 0.71 -0.09 -0.79 -3.80 0.87 -1.15 0.30 113.55 109.60 1wkf h SER 140 Ca 0.04 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1wkf h SER 140 Cb 1.03 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1wkf h SER 140 CO 0.10 -0.03 0.46 0.40 -0.53 0.00 0.00 176.83 177.24 1wkf h ILE 141 N -0.14 1.23 -0.46 2.23 1.08 -1.49 -0.20 117.51 119.75 1wkf h ILE 141 Ca -0.01 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1wkf h ILE 141 Cb 0.11 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 1wkf h ILE 141 CO 0.02 0.25 0.16 -0.08 -0.69 0.00 0.00 178.15 177.80 1wkf h GLU 142 N 1.11 0.71 -0.41 2.37 4.81 -0.61 -0.49 114.58 122.08 1wkf h GLU 142 Ca 0.29 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1wkf h GLU 142 Cb -0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1wkf h GLU 142 CO -0.05 0.67 0.16 0.82 -0.73 0.00 0.00 179.01 179.88 1wkf h ILE 143 N 0.61 1.20 -0.08 2.32 2.04 -0.51 -0.58 117.51 122.52 1wkf h ILE 143 Ca 0.15 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1wkf h ILE 143 Cb 0.25 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1wkf h ILE 143 CO -0.01 0.22 -0.04 1.56 0.00 0.00 0.00 178.15 179.89 1wkf h GLN 144 N 0.51 0.12 -0.13 2.37 4.20 -0.75 0.66 115.11 122.09 1wkf h GLN 144 Ca 0.13 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 1wkf h GLN 144 Cb 0.20 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wkf h GLN 144 CO -0.01 0.17 -0.41 1.25 -0.67 0.00 0.00 178.83 179.16 1wkf h HIS 145 N 0.12 0.66 -0.86 2.96 2.76 -0.66 -2.11 115.15 118.01 1wkf h HIS 145 Ca 0.03 -0.27 0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1wkf h HIS 145 Cb 0.15 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.95 1wkf h HIS 145 CO 0.00 1.02 0.56 -0.07 -1.30 0.00 0.00 177.93 178.14 1wkf h LEU 146 N 0.11 0.94 -1.46 0.26 3.38 0.12 -0.60 115.31 118.06 1wkf h LEU 146 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1wkf h LEU 146 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1wkf h LEU 146 CO 0.09 0.66 -0.24 -0.07 0.09 0.00 0.00 178.44 178.96 1wkf h LEU 147 N 1.10 0.00 -0.49 1.67 3.38 -0.90 -3.32 115.31 116.75 1wkf h LEU 147 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1wkf h LEU 147 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wkf h LEU 147 CO -0.10 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1wkf n GLY 148 N -0.36 0.75 3.79 0.83 0.00 -0.23 -0.85 105.19 109.11 1wkf n GLY 148 Ca -0.01 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1wkf n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkf s SER 149 N -2.92 6.02 -0.00 1.61 1.04 -0.87 -4.88 113.70 113.70 1wkf s SER 149 Ca 0.00 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.38 1wkf s SER 149 Cb 0.00 -2.57 -0.30 0.00 0.10 0.00 0.00 66.02 63.26 1wkf s SER 149 CO 0.00 -1.00 0.84 0.44 0.98 0.00 0.00 173.24 174.49 1wkf h ASP 150 N 1.30 0.52 -3.63 7.02 3.32 -1.52 -3.43 116.42 120.00 1wkf h ASP 150 Ca -0.49 -0.70 -0.67 0.00 0.02 0.00 0.00 57.03 55.19 1wkf h ASP 150 Cb 1.24 -0.17 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 1wkf h ASP 150 CO 0.58 1.58 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.23 1wkf s ILE 151 N -2.61 2.14 -0.13 0.35 1.01 -0.98 0.19 121.20 121.18 1wkf s ILE 151 Ca -0.11 -1.43 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 1wkf s ILE 151 Cb 0.06 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1wkf s ILE 151 CO 0.87 0.14 0.31 -0.69 0.00 0.00 0.00 174.94 175.57 1wkf s VAL 152 N 1.16 5.27 -0.18 2.92 1.01 0.39 -1.38 120.40 129.59 1wkf s VAL 152 Ca -0.05 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1wkf s VAL 152 Cb -0.18 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wkf s VAL 152 CO -0.07 0.43 0.12 -0.04 0.00 0.00 0.00 175.10 175.54 1wkf s MET 153 N 0.12 3.98 0.53 2.72 -1.94 -1.18 -1.00 119.30 122.53 1wkf s MET 153 Ca 0.18 -0.22 -0.21 0.00 -1.71 0.00 0.00 55.69 53.73 1wkf s MET 153 Cb -0.14 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.32 1wkf s MET 153 CO 0.06 0.41 1.24 0.00 -0.01 0.00 0.00 175.02 176.72 1wkf s ALA 154 N 0.04 2.78 0.22 3.03 0.00 -0.73 -4.39 121.76 122.70 1wkf s ALA 154 Ca 0.09 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1wkf s ALA 154 Cb -0.11 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1wkf s ALA 154 CO -0.00 -1.06 1.06 0.12 0.00 0.00 0.00 175.76 175.88 1wkf s PHE 155 N -1.48 3.68 0.16 0.00 5.36 -1.26 -4.74 117.98 119.69 1wkf s PHE 155 Ca 0.71 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 58.39 1wkf s PHE 155 Cb -0.33 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.10 1wkf s PHE 155 CO 0.38 -0.33 0.03 1.52 -1.46 0.00 0.00 175.22 175.36 1wkf s TYR 156 N -0.68 1.06 -0.20 10.12 -0.85 -1.26 -4.36 117.35 121.18 1wkf s TYR 156 Ca 0.46 -1.12 -0.05 0.00 -0.52 0.00 0.00 57.07 55.84 1wkf s TYR 156 Cb -0.29 -0.60 -0.02 0.00 0.38 0.00 0.00 41.96 41.42 1wkf s TYR 156 CO 0.36 -0.35 0.00 -2.00 -1.52 0.00 0.00 175.55 172.04 1wkf s GLU 157 N -3.98 3.63 0.26 -3.49 2.12 -1.26 -4.67 118.70 111.31 1wkf s GLU 157 Ca 0.24 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 1wkf s GLU 157 Cb 0.07 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.29 1wkf s GLU 157 CO 0.03 0.03 1.19 0.00 -0.54 0.00 0.00 175.26 175.97 1wkf s THR 159 N -0.73 3.41 1.13 0.00 2.01 -1.26 -5.07 115.64 115.14 1wkf s THR 159 Ca 0.49 -1.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1wkf s THR 159 Cb -0.34 -2.94 0.26 0.00 0.01 0.00 0.00 72.50 69.49 1wkf s THR 159 CO 0.42 -0.13 1.04 -2.16 -0.69 0.00 0.00 174.62 173.10 1wkf s PRO 160 N 1.34 -0.63 -0.10 4.92 0.04 -1.26 -4.92 135.00 134.38 1wkf s PRO 160 Ca -0.03 0.79 0.01 0.00 0.04 0.00 0.00 61.00 61.81 1wkf s PRO 160 Cb -0.20 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1wkf s PRO 160 CO 0.01 -3.52 -0.13 -0.47 0.04 0.00 0.00 177.00 172.94 1wkf s TYR 161 N -2.57 1.78 0.89 0.56 5.04 -1.26 -3.69 117.35 118.09 1wkf s TYR 161 Ca 0.68 -0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 54.36 1wkf s TYR 161 Cb -0.24 -1.32 0.12 0.00 0.35 0.00 0.00 41.96 40.87 1wkf s TYR 161 CO 0.63 -0.46 1.10 -2.14 -1.34 0.00 0.00 175.55 173.34 1wkf s PRO 162 N 1.11 1.34 -0.11 4.97 0.02 -1.26 -4.91 135.00 136.16 1wkf s PRO 162 Ca -0.05 0.66 -0.08 0.00 0.02 0.00 0.00 61.00 61.55 1wkf s PRO 162 Cb -0.14 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1wkf s PRO 162 CO -0.03 -2.14 0.28 0.00 -0.33 0.00 0.00 177.00 174.78 1wkf s ALA 163 N -3.04 -0.68 0.61 -1.55 0.00 -1.24 -5.12 121.76 110.75 1wkf s ALA 163 Ca 0.63 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 1wkf s ALA 163 Cb -0.17 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1wkf s ALA 163 CO 0.56 -0.17 1.04 0.95 0.00 0.00 0.00 175.76 178.14 1wkf s THR 164 N 0.72 4.14 0.20 0.00 -4.23 -1.26 -4.78 115.64 110.42 1wkf s THR 164 Ca -0.05 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 1wkf s THR 164 Cb -0.06 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.41 1wkf s THR 164 CO -0.05 -0.73 1.69 -0.65 -0.54 0.00 0.00 174.62 174.34 1wkf h PRO 165 N 0.08 0.16 -0.60 3.99 0.11 -2.00 0.19 132.00 133.92 1wkf h PRO 165 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1wkf h PRO 165 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1wkf h PRO 165 CO 0.59 0.11 0.07 0.66 -0.21 0.00 0.00 178.00 179.21 1wkf h SER 166 N 0.16 0.96 -0.05 -2.05 4.64 -1.98 0.17 113.55 115.39 1wkf h SER 166 Ca 0.28 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wkf h SER 166 Cb 0.42 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1wkf h SER 166 CO -0.42 0.97 0.02 -0.09 -0.87 0.00 0.00 176.83 176.44 1wkf h ARG 167 N 0.93 0.08 -0.31 4.77 2.43 -1.77 -0.75 114.38 119.77 1wkf h ARG 167 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1wkf h ARG 167 Cb 0.44 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1wkf h ARG 167 CO 0.01 0.24 -0.11 0.00 -1.51 0.00 0.00 179.97 178.60 1wkf h ALA 168 N 0.84 1.23 0.07 2.80 0.00 -0.44 -1.67 119.26 122.08 1wkf h ALA 168 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wkf h ALA 168 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wkf h ALA 168 CO -0.00 0.50 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 1wkf h ALA 169 N 1.40 -0.09 -0.61 0.00 0.00 -0.42 -0.95 119.26 118.60 1wkf h ALA 169 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wkf h ALA 169 Cb 0.49 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1wkf h ALA 169 CO 0.03 -0.39 0.21 0.77 0.00 0.00 0.00 179.25 179.88 1wkf h SER 170 N -0.41 0.84 -0.18 0.00 0.02 -1.06 0.66 113.55 113.42 1wkf h SER 170 Ca -0.01 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.63 1wkf h SER 170 Cb 0.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wkf h SER 170 CO 0.01 0.77 -0.59 -1.28 -1.14 0.00 0.00 176.83 174.61 1wkf h SER 171 N 0.89 0.88 -0.31 3.07 0.87 -1.26 -1.79 113.55 115.89 1wkf h SER 171 Ca 0.20 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1wkf h SER 171 Cb 0.22 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1wkf h SER 171 CO -0.01 1.28 0.14 -0.03 -0.53 0.00 0.00 176.83 177.67 1wkf h MET 172 N 0.59 0.46 -0.58 2.24 -1.53 -0.84 -1.77 114.93 113.51 1wkf h MET 172 Ca 0.00 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.20 1wkf h MET 172 Cb 1.19 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 32.13 1wkf h MET 172 CO 0.12 0.45 0.36 0.93 0.14 0.00 0.00 176.91 178.92 1wkf h GLU 173 N 0.36 0.70 -0.19 0.39 5.08 -0.81 0.47 114.58 120.58 1wkf h GLU 173 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wkf h GLU 173 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1wkf h GLU 173 CO -0.01 0.46 0.12 -0.09 -1.00 0.00 0.00 179.01 178.50 1wkf h ARG 174 N 0.72 0.24 -0.41 2.33 9.65 -1.18 -2.12 114.38 123.62 1wkf h ARG 174 Ca 0.22 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1wkf h ARG 174 Cb -0.02 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1wkf h ARG 174 CO -0.08 0.16 0.16 0.77 2.80 0.00 0.00 179.97 183.79 1wkf h SER 175 N 0.25 0.52 -0.03 -3.80 0.02 -0.89 0.90 113.55 110.52 1wkf h SER 175 Ca 0.07 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1wkf h SER 175 Cb -0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1wkf h SER 175 CO -0.02 0.47 -0.27 0.24 -1.14 0.00 0.00 176.83 176.12 1wkf h MET 176 N 0.57 0.46 -0.39 3.45 2.86 -0.42 0.23 114.93 121.70 1wkf h MET 176 Ca 0.14 -0.18 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 1wkf h MET 176 Cb 0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1wkf h MET 176 CO -0.01 0.69 -0.36 0.00 1.06 0.00 0.00 176.91 178.29 1wkf h ARG 177 N 0.41 0.92 0.00 1.72 3.08 -0.59 -2.52 114.38 117.40 1wkf h ARG 177 Ca 0.06 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 1wkf h ARG 177 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1wkf h ARG 177 CO 0.05 1.13 -0.28 -1.49 -1.07 0.00 0.00 179.97 178.31 1wkf h TRP 178 N 0.74 0.00 -0.43 3.04 4.06 -0.40 -1.88 115.95 121.07 1wkf h TRP 178 Ca 0.06 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.90 1wkf h TRP 178 Cb 0.95 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 1wkf h TRP 178 CO 0.06 0.28 -0.18 0.00 -3.56 0.00 0.00 178.44 175.04 1wkf h ALA 179 N 1.72 0.61 -0.17 1.49 0.00 -0.14 0.14 119.26 122.91 1wkf h ALA 179 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wkf h ALA 179 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wkf h ALA 179 CO 0.04 0.56 0.07 -0.22 0.00 0.00 0.00 179.25 179.70 1wkf h LYS 180 N 0.72 0.25 -0.85 0.00 1.63 -1.03 0.14 116.57 117.43 1wkf h LYS 180 Ca 0.10 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1wkf h LYS 180 Cb 0.75 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 1wkf h LYS 180 CO 0.06 0.32 0.52 0.00 -3.45 0.00 0.00 179.45 176.90 1wkf h ARG 181 N 0.12 1.15 -0.33 1.90 3.08 -1.24 -0.92 114.38 118.15 1wkf h ARG 181 Ca 0.06 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1wkf h ARG 181 Cb 0.16 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1wkf h ARG 181 CO -0.01 0.81 0.09 0.77 -1.07 0.00 0.00 179.97 180.56 1wkf h SER 182 N 1.17 0.49 -0.32 7.04 0.02 -0.37 -0.30 113.55 121.28 1wkf h SER 182 Ca 0.31 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1wkf h SER 182 Cb -0.05 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1wkf h SER 182 CO -0.06 0.57 0.04 -0.09 -1.14 0.00 0.00 176.83 176.15 1wkf h ARG 183 N 0.37 0.14 -0.33 3.45 9.65 -0.29 -0.39 114.38 126.98 1wkf h ARG 183 Ca 0.10 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1wkf h ARG 183 Cb 0.27 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1wkf h ARG 183 CO -0.00 0.09 0.08 -0.44 2.80 0.00 0.00 179.97 182.50 1wkf h ASP 184 N 0.14 0.49 -0.32 -3.80 3.32 -1.05 -0.30 116.42 114.90 1wkf h ASP 184 Ca 0.15 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1wkf h ASP 184 Cb 0.18 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1wkf h ASP 184 CO -0.22 0.59 0.02 0.00 -1.72 0.00 0.00 179.24 177.91 1wkf h ALA 185 N 0.92 0.30 -0.44 3.45 0.00 -0.77 -0.43 119.26 122.29 1wkf h ALA 185 Ca 0.10 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wkf h ALA 185 Cb 0.29 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1wkf h ALA 185 CO 0.00 -0.39 0.23 0.35 0.00 0.00 0.00 179.25 179.44 1wkf h PHE 186 N 0.11 0.42 0.00 0.00 3.04 -0.85 -2.75 116.94 116.92 1wkf h PHE 186 Ca 0.15 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.07 1wkf h PHE 186 Cb 0.20 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1wkf h PHE 186 CO -0.22 0.22 -0.25 -0.44 -2.02 0.00 0.00 178.31 175.61 1wkf h ASP 187 N 0.46 0.00 0.62 0.41 3.32 -0.40 -2.87 116.42 117.97 1wkf h ASP 187 Ca 0.18 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1wkf h ASP 187 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1wkf h ASP 187 CO -0.12 0.25 -0.47 0.28 -1.72 0.00 0.00 179.24 177.45 1wkf h SER 188 N 0.00 0.00 -2.85 6.45 0.02 -0.79 -3.39 113.55 112.99 1wkf h SER 188 Ca -0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1wkf h SER 188 Cb 0.51 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.88 1wkf h SER 188 CO 0.03 0.47 0.28 -0.60 -1.14 0.00 0.00 176.83 175.88 1wkf s ARG 189 N -3.76 3.08 0.26 3.45 3.52 -1.08 -4.94 118.95 119.49 1wkf s ARG 189 Ca -0.01 -1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 54.47 1wkf s ARG 189 Cb 0.13 -4.23 0.32 0.00 -1.56 0.00 0.00 34.95 29.60 1wkf s ARG 189 CO 0.73 -1.62 1.93 1.57 -0.81 0.00 0.00 175.30 177.09 1wkf h LYS 190 N 9.32 1.25 -0.75 5.12 2.10 -1.82 0.12 116.57 131.92 1wkf h LYS 190 Ca -0.29 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.25 1wkf h LYS 190 Cb 1.08 -0.28 -0.03 0.00 -0.90 0.00 0.00 32.23 32.09 1wkf h LYS 190 CO 1.12 0.83 0.34 1.49 -2.00 0.00 0.00 179.45 181.23 1wkf h GLU 191 N 1.29 1.09 -0.00 0.07 4.81 -1.93 0.84 114.58 120.74 1wkf h GLU 191 Ca 0.37 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1wkf h GLU 191 Cb -0.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1wkf h GLU 191 CO -0.10 0.86 -0.00 0.37 -0.73 0.00 0.00 179.01 179.41 1wkf h GLN 192 N 1.06 0.00 -0.11 1.92 4.15 -1.78 -2.52 115.11 117.83 1wkf h GLN 192 Ca 0.25 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.68 1wkf h GLN 192 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1wkf h GLN 192 CO -0.03 0.61 0.08 0.00 -1.93 0.00 0.00 178.83 177.55 1wkf h ALA 193 N 0.40 1.96 0.00 3.38 0.00 -0.62 0.02 119.26 124.40 1wkf h ALA 193 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wkf h ALA 193 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wkf h ALA 193 CO 0.00 0.03 -0.65 0.93 0.00 0.00 0.00 179.25 179.56 1wkf h GLU 194 N 0.12 0.00 0.00 0.00 5.08 -0.80 -3.40 114.58 115.58 1wkf h GLU 194 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wkf h GLU 194 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wkf h GLU 194 CO -0.01 0.05 -0.44 0.09 -1.00 0.00 0.00 179.01 177.70 1wkf n ASN 195 N -2.88 2.21 -4.79 1.42 4.13 -0.95 -4.79 115.26 109.61 1wkf n ASN 195 Ca 0.01 -0.28 -0.25 0.00 1.68 0.00 0.00 54.58 55.74 1wkf n ASN 195 Cb 0.58 0.99 -0.05 0.00 -1.54 0.00 0.00 39.78 39.75 1wkf n ASN 195 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wkf s ALA 196 N -1.43 3.86 0.22 5.41 0.00 -0.03 -4.78 121.76 125.00 1wkf s ALA 196 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 51.96 50.30 1wkf s ALA 196 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1wkf s ALA 196 CO 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 175.76 175.35 1wkf s ALA 197 N -2.64 2.70 -0.09 0.00 0.00 0.13 -4.78 121.76 117.08 1wkf s ALA 197 Ca 0.38 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1wkf s ALA 197 Cb 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1wkf s ALA 197 CO 0.21 0.38 -0.10 -1.17 0.00 0.00 0.00 175.76 175.08 1wkf s LEU 198 N -3.01 1.46 -0.03 0.00 2.96 -1.26 -0.46 118.68 118.34 1wkf s LEU 198 Ca 0.25 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1wkf s LEU 198 Cb -0.07 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1wkf s LEU 198 CO 0.13 -0.03 0.03 -0.36 -1.32 0.00 0.00 176.35 174.79 1wkf s PHE 199 N 1.13 3.17 0.14 5.38 0.40 -0.17 -0.75 117.98 127.28 1wkf s PHE 199 Ca -0.06 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1wkf s PHE 199 Cb -0.14 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1wkf s PHE 199 CO -0.02 0.50 0.14 0.20 0.70 0.00 0.00 175.22 176.74 1wkf s GLY 200 N -1.43 1.79 -0.18 4.36 0.00 -0.46 -1.78 107.32 109.63 1wkf s GLY 200 Ca 0.19 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1wkf s GLY 200 CO 0.09 -1.15 -0.18 -0.42 0.00 0.00 0.00 173.10 171.44 1wkf s ILE 201 N -1.67 2.23 0.29 0.90 1.01 -1.26 -0.31 121.20 122.39 1wkf s ILE 201 Ca 0.31 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 1wkf s ILE 201 Cb -0.11 -1.95 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 1wkf s ILE 201 CO 0.24 0.53 1.05 -1.58 0.00 0.00 0.00 174.94 175.17 1wkf s GLN 202 N 1.27 4.60 0.00 2.79 0.74 0.59 -4.84 119.66 124.82 1wkf s GLN 202 Ca 0.04 1.66 0.00 0.00 0.05 0.00 0.00 55.36 57.11 1wkf s GLN 202 Cb -0.13 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1wkf s GLN 202 CO -0.11 0.22 0.00 1.04 -0.55 0.00 0.00 175.29 175.90 1wkf n GLN 203 N 1.01 1.55 0.00 1.67 1.13 -1.26 -0.73 117.38 120.75 1wkf n GLN 203 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1wkf n GLN 203 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1wkf n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wkf n GLY 204 N 2.80 0.95 7.00 1.08 0.00 -1.26 -3.99 105.19 111.76 1wkf n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wkf n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wkf n SER 205 N 0.00 0.00 -1.02 1.61 2.88 -1.26 -1.73 113.62 114.09 1wkf n SER 205 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1wkf n SER 205 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 1wkf n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wkf n VAL 206 N 0.00 1.90 -3.60 2.46 0.24 -1.26 -4.95 118.33 113.12 1wkf n VAL 206 Ca 0.00 -1.49 -0.38 0.00 -2.04 0.00 0.00 64.34 60.44 1wkf n VAL 206 Cb 0.00 0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 1wkf n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1wkf s PHE 207 N -2.16 3.26 0.14 6.34 0.08 -0.71 -4.98 117.98 119.95 1wkf s PHE 207 Ca 0.40 0.19 0.21 0.00 0.12 0.00 0.00 56.93 57.84 1wkf s PHE 207 Cb 0.29 -2.35 0.74 0.00 -0.57 0.00 0.00 43.02 41.13 1wkf s PHE 207 CO 0.14 -0.08 1.76 1.05 -0.10 0.00 0.00 175.22 177.99 1wkf h GLU 208 N 8.02 0.00 -0.34 0.44 4.11 -1.92 -1.04 114.58 123.85 1wkf h GLU 208 Ca -0.36 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.99 1wkf h GLU 208 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1wkf h GLU 208 CO 0.60 0.32 -0.11 -2.95 0.07 0.00 0.00 179.01 176.93 1wkf h ASN 209 N 0.00 0.68 -0.32 3.06 -1.07 -1.94 0.16 115.58 116.16 1wkf h ASN 209 Ca -0.00 -0.38 -0.03 0.00 0.07 0.00 0.00 56.30 55.96 1wkf h ASN 209 Cb 0.86 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.91 1wkf h ASN 209 CO 0.04 0.91 0.09 -0.07 0.07 0.00 0.00 177.43 178.47 1wkf h LEU 210 N 0.45 0.46 -0.79 6.14 4.07 -1.82 -0.45 115.31 123.38 1wkf h LEU 210 Ca 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1wkf h LEU 210 Cb 0.62 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 1wkf h LEU 210 CO 0.04 0.55 0.49 0.03 -1.08 0.00 0.00 178.44 178.48 1wkf h ARG 211 N 0.35 1.06 -0.04 1.13 2.47 -1.09 0.49 114.38 118.75 1wkf h ARG 211 Ca 0.10 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1wkf h ARG 211 Cb 0.26 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1wkf h ARG 211 CO -0.00 0.73 0.02 0.37 0.56 0.00 0.00 179.97 181.64 1wkf h GLN 212 N 1.07 0.06 -0.74 0.04 5.75 -0.31 0.74 115.11 121.71 1wkf h GLN 212 Ca 0.28 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1wkf h GLN 212 Cb -0.07 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 1wkf h GLN 212 CO -0.06 0.17 0.44 1.96 -2.65 0.00 0.00 178.83 178.70 1wkf h GLN 213 N -0.07 0.80 -0.46 1.69 4.20 -0.65 -0.17 115.11 120.44 1wkf h GLN 213 Ca 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1wkf h GLN 213 Cb 0.13 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1wkf h GLN 213 CO -0.00 0.53 0.18 1.03 -0.67 0.00 0.00 178.83 179.90 1wkf h SER 214 N 0.82 0.64 -0.15 1.46 0.87 -0.64 -1.33 113.55 115.22 1wkf h SER 214 Ca 0.32 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1wkf h SER 214 Cb 0.15 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1wkf h SER 214 CO -0.16 0.64 0.09 0.00 -0.53 0.00 0.00 176.83 176.87 1wkf h ALA 215 N 1.03 0.20 -0.87 6.23 0.00 -0.15 -1.26 119.26 124.43 1wkf h ALA 215 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wkf h ALA 215 Cb 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1wkf h ALA 215 CO -0.01 -0.29 0.55 -0.44 0.00 0.00 0.00 179.25 179.06 1wkf h ASP 216 N 0.17 1.03 -0.21 0.00 3.32 -0.93 0.70 116.42 120.51 1wkf h ASP 216 Ca 0.06 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wkf h ASP 216 Cb 0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1wkf h ASP 216 CO -0.01 0.77 0.10 0.00 -1.72 0.00 0.00 179.24 178.38 1wkf h ALA 217 N 1.30 0.26 -0.51 3.45 0.00 -1.08 -0.71 119.26 121.97 1wkf h ALA 217 Ca 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1wkf h ALA 217 Cb -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1wkf h ALA 217 CO -0.06 -0.18 0.32 -0.07 0.00 0.00 0.00 179.25 179.26 1wkf h LEU 218 N 0.20 0.53 -0.85 0.00 4.07 -0.80 -0.88 115.31 117.59 1wkf h LEU 218 Ca 0.07 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 1wkf h LEU 218 Cb 0.11 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1wkf h LEU 218 CO -0.01 0.38 -0.40 0.00 -1.08 0.00 0.00 178.44 177.33 1wkf h ALA 219 N 1.21 1.02 -0.04 1.53 0.00 -0.77 0.17 119.26 122.38 1wkf h ALA 219 Ca 0.20 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wkf h ALA 219 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wkf h ALA 219 CO -0.07 0.61 0.02 1.49 0.00 0.00 0.00 179.25 181.29 1wkf h GLU 220 N 0.31 0.05 0.03 0.00 4.81 -0.27 -2.90 114.58 116.61 1wkf h GLU 220 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wkf h GLU 220 Cb 0.83 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1wkf h GLU 220 CO 0.07 0.14 -0.01 0.82 -0.73 0.00 0.00 179.01 179.30 1wkf h ILE 221 N -0.05 1.09 -0.28 2.32 2.04 -1.02 -3.49 117.51 118.12 1wkf h ILE 221 Ca 0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1wkf h ILE 221 Cb 0.11 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1wkf h ILE 221 CO -0.00 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1wkf n GLY 222 N -0.69 -0.64 3.22 5.37 0.00 0.60 -5.11 105.19 107.93 1wkf n GLY 222 Ca -0.08 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1wkf n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wkf s PHE 223 N -0.15 1.16 -0.16 1.61 0.40 -1.26 -5.03 117.98 114.55 1wkf s PHE 223 Ca 0.00 -1.17 0.17 0.00 -0.60 0.00 0.00 56.93 55.33 1wkf s PHE 223 Cb 0.00 -0.65 0.22 0.00 0.51 0.00 0.00 43.02 43.10 1wkf s PHE 223 CO 0.00 -0.40 1.52 -0.44 0.70 0.00 0.00 175.22 176.60 1wkf h ASP 224 N 2.68 0.00 -5.03 1.36 3.32 -1.33 -3.47 116.42 113.95 1wkf h ASP 224 Ca -0.36 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 1wkf h ASP 224 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 1wkf h ASP 224 CO 0.60 0.39 0.11 -0.83 -1.72 0.00 0.00 179.24 177.78 1wkf s GLY 225 N -4.40 -0.50 -0.12 2.75 0.00 -1.23 -4.28 107.32 99.54 1wkf s GLY 225 Ca 0.04 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1wkf s GLY 225 CO 0.72 0.01 -0.17 -0.19 0.00 0.00 0.00 173.10 173.47 1wkf s TYR 226 N -3.73 2.13 0.01 1.90 1.51 -0.19 -1.35 117.35 117.63 1wkf s TYR 226 Ca 0.01 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1wkf s TYR 226 Cb -0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1wkf s TYR 226 CO -0.12 -0.51 0.16 0.00 -1.11 0.00 0.00 175.55 173.96 1wkf s ALA 227 N 0.97 3.85 -0.41 3.71 0.00 0.57 -0.93 121.76 129.52 1wkf s ALA 227 Ca -0.06 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1wkf s ALA 227 Cb -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.22 1wkf s ALA 227 CO -0.02 0.75 0.30 0.08 0.00 0.00 0.00 175.76 176.87 1wkf s VAL 228 N -1.33 5.26 0.39 0.00 1.01 1.00 -0.30 120.40 126.42 1wkf s VAL 228 Ca 0.28 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1wkf s VAL 228 Cb -0.12 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1wkf s VAL 228 CO 0.19 -0.32 0.54 -0.83 0.00 0.00 0.00 175.10 174.68 1wkf s GLY 229 N 1.72 1.80 0.00 4.51 0.00 0.09 -3.57 107.32 111.87 1wkf s GLY 229 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1wkf s GLY 229 CO 0.10 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.39 1wkf n GLY 230 N -1.79 1.17 4.00 0.20 0.00 -1.26 -4.58 105.19 102.94 1wkf n GLY 230 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1wkf n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wkf s LEU 231 N 0.00 3.51 -1.48 0.99 1.43 -1.26 -4.42 118.68 117.44 1wkf s LEU 231 Ca 0.00 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1wkf s LEU 231 Cb 0.00 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1wkf s LEU 231 CO 0.00 -0.92 0.52 0.00 0.23 0.00 0.00 176.35 176.18 1wkf n ALA 232 N -2.03 -0.88 -1.14 4.21 0.00 -1.26 -4.88 120.51 114.54 1wkf n ALA 232 Ca 0.09 0.26 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1wkf n ALA 232 Cb 0.59 -3.55 0.19 0.00 0.00 0.00 0.00 19.45 16.68 1wkf n ALA 232 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wkf n VAL 233 N -4.41 2.10 0.00 0.00 3.14 -1.26 -4.93 118.33 112.96 1wkf n VAL 233 Ca -0.12 -2.30 0.00 0.00 -2.96 0.00 0.00 64.34 58.96 1wkf n VAL 233 Cb 0.62 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 1wkf n VAL 233 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wkf n GLY 234 N -1.11 0.86 0.18 7.55 0.00 -1.26 -4.40 105.19 107.01 1wkf n GLY 234 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1wkf n GLY 234 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wkf h GLU 235 N 1.67 0.00 0.00 1.61 9.09 -1.93 -3.50 114.58 121.52 1wkf h GLU 235 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1wkf h GLU 235 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1wkf h GLU 235 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 1wkf n GLY 236 N 0.51 -0.58 0.37 1.06 0.00 -1.26 -4.24 105.19 101.05 1wkf n GLY 236 Ca 0.03 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.55 1wkf n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wkf h GLN 237 N 0.00 1.02 -0.32 1.61 4.15 -1.98 -0.76 115.11 118.83 1wkf h GLN 237 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1wkf h GLN 237 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 1wkf h GLN 237 CO 0.00 0.68 0.20 -0.44 -1.93 0.00 0.00 178.83 177.34 1wkf h ASP 238 N 1.06 0.38 -0.17 -0.69 5.19 -1.99 0.32 116.42 120.51 1wkf h ASP 238 Ca 0.45 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.79 1wkf h ASP 238 Cb 0.32 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1wkf h ASP 238 CO -0.20 0.30 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.87 1wkf h GLU 239 N 0.42 0.32 -0.19 3.56 4.39 -1.65 -0.96 114.58 120.47 1wkf h GLU 239 Ca 0.12 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1wkf h GLU 239 Cb -0.02 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 1wkf h GLU 239 CO -0.02 0.57 -0.25 1.98 -1.16 0.00 0.00 179.01 180.12 1wkf h MET 240 N 0.04 -0.27 -0.94 2.33 4.05 -0.94 0.27 114.93 119.47 1wkf h MET 240 Ca 0.05 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1wkf h MET 240 Cb 0.44 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 1wkf h MET 240 CO 0.01 -0.18 0.55 0.74 0.23 0.00 0.00 176.91 178.26 1wkf h PHE 241 N -0.29 1.25 -0.71 1.39 -1.00 -0.91 0.12 116.94 116.81 1wkf h PHE 241 Ca 0.12 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 1wkf h PHE 241 Cb 0.47 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1wkf h PHE 241 CO -0.38 0.84 0.29 -0.09 -1.61 0.00 0.00 178.31 177.37 1wkf h ARG 242 N 1.30 1.05 -0.32 1.51 2.43 -0.02 -0.42 114.38 119.90 1wkf h ARG 242 Ca 0.33 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1wkf h ARG 242 Cb -0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1wkf h ARG 242 CO -0.06 0.86 -0.05 0.28 -1.51 0.00 0.00 179.97 179.49 1wkf h VAL 243 N 1.00 1.27 -0.97 0.20 2.07 0.10 -2.89 116.25 117.03 1wkf h VAL 243 Ca 0.24 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1wkf h VAL 243 Cb 0.19 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1wkf h VAL 243 CO -0.02 0.34 0.63 -0.07 0.02 0.00 0.00 177.57 178.48 1wkf h LEU 244 N 0.39 1.07 -0.67 2.57 3.38 -0.43 0.12 115.31 121.74 1wkf h LEU 244 Ca 0.09 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1wkf h LEU 244 Cb 0.52 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1wkf h LEU 244 CO 0.03 0.75 0.19 0.44 0.09 0.00 0.00 178.44 179.94 1wkf h ASP 245 N 1.26 0.10 0.32 -0.43 3.32 -0.86 -1.68 116.42 118.44 1wkf h ASP 245 Ca 0.37 0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.40 1wkf h ASP 245 Cb -0.06 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1wkf h ASP 245 CO -0.10 0.04 -1.80 2.22 -1.72 0.00 0.00 179.24 177.87 1wkf n PHE 246 N -5.09 0.40 -0.01 4.55 1.16 -1.10 -4.52 117.46 112.86 1wkf n PHE 246 Ca 0.11 0.13 -0.13 0.00 -1.87 0.00 0.00 57.45 55.70 1wkf n PHE 246 Cb 0.37 -0.84 -0.10 0.00 -1.61 0.00 0.00 39.48 37.29 1wkf n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1wkf h SER 247 N 0.00 -0.05 -0.82 5.98 0.02 -0.49 -3.34 113.55 114.85 1wkf h SER 247 Ca -0.18 -0.56 0.05 0.00 -0.84 0.00 0.00 61.79 60.26 1wkf h SER 247 Cb 1.46 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 1wkf h SER 247 CO 0.02 0.56 0.51 0.58 -1.14 0.00 0.00 176.83 177.36 1wkf h VAL 248 N -0.69 1.07 0.00 2.27 2.07 -1.53 -1.22 116.25 118.22 1wkf h VAL 248 Ca -0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1wkf h VAL 248 Cb 0.61 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1wkf h VAL 248 CO 0.01 0.17 0.00 -2.65 0.02 0.00 0.00 177.57 175.12 1wkf n PRO 249 N -4.62 0.09 0.20 1.57 -0.02 -1.26 -1.38 135.00 129.58 1wkf n PRO 249 Ca 0.11 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1wkf n PRO 249 Cb 0.14 -1.77 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1wkf n PRO 249 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1wkf h MET 250 N 0.00 0.00 -6.78 -0.52 2.86 -1.34 -3.46 114.93 105.69 1wkf h MET 250 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1wkf h MET 250 Cb 0.07 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1wkf h MET 250 CO 0.00 0.01 0.05 -0.51 1.06 0.00 0.00 176.91 177.52 1wkf s LEU 251 N -6.08 3.84 0.17 1.22 1.43 -0.48 -4.76 118.68 114.02 1wkf s LEU 251 Ca 0.06 0.98 -0.32 0.00 -1.03 0.00 0.00 54.13 53.81 1wkf s LEU 251 Cb 0.06 -3.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.30 1wkf s LEU 251 CO 0.69 -0.39 1.73 -2.65 0.23 0.00 0.00 176.35 175.96 1wkf n PRO 252 N -1.44 2.64 -0.05 1.29 -0.02 -1.26 -4.89 135.00 131.27 1wkf n PRO 252 Ca 0.01 0.95 -0.02 0.00 -2.02 0.00 0.00 63.50 62.43 1wkf n PRO 252 Cb 0.54 -2.80 0.25 0.00 -0.02 0.00 0.00 33.50 31.47 1wkf n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1wkf h ASP 253 N 7.08 0.60 -0.05 2.55 3.58 -1.92 -3.03 116.42 125.22 1wkf h ASP 253 Ca -0.44 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 56.89 1wkf h ASP 253 Cb 1.22 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1wkf h ASP 253 CO 0.94 0.66 0.00 -0.90 -2.88 0.00 0.00 179.24 177.06 1wkf n ASP 254 N -4.26 0.31 -4.30 2.28 5.75 -1.26 -4.83 116.55 110.24 1wkf n ASP 254 Ca 0.02 -1.88 -0.25 0.00 -0.01 0.00 0.00 54.79 52.66 1wkf n ASP 254 Cb 0.26 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 40.18 1wkf n ASP 254 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wkf s LYS 255 N -1.93 1.25 0.54 0.11 -0.14 -1.15 -4.88 119.74 113.55 1wkf s LYS 255 Ca 0.09 -1.16 -0.21 0.00 -1.36 0.00 0.00 55.97 53.33 1wkf s LYS 255 Cb 0.05 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.61 1wkf s LYS 255 CO 0.07 0.37 1.30 -1.25 -0.76 0.00 0.00 175.35 175.07 1wkf s PRO 256 N -1.79 3.21 -0.24 -1.68 0.04 -1.26 -4.81 135.00 128.46 1wkf s PRO 256 Ca 0.08 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1wkf s PRO 256 Cb -0.10 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1wkf s PRO 256 CO 0.04 -1.09 -0.05 -1.01 0.04 0.00 0.00 177.00 174.93 1wkf s HIS 257 N -1.39 3.04 -0.23 0.56 3.76 -1.26 -1.02 115.29 118.75 1wkf s HIS 257 Ca 0.71 -1.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 1wkf s HIS 257 Cb -0.37 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 1wkf s HIS 257 CO 0.43 -0.68 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.14 1wkf s TYR 258 N 1.38 2.98 -0.51 1.40 5.04 -0.11 -0.22 117.35 127.31 1wkf s TYR 258 Ca 0.02 -0.93 -0.17 0.00 -2.44 0.00 0.00 57.07 53.54 1wkf s TYR 258 Cb -0.16 -2.12 0.08 0.00 0.35 0.00 0.00 41.96 40.11 1wkf s TYR 258 CO -0.04 -0.54 0.53 -1.17 -1.34 0.00 0.00 175.55 172.99 1wkf s LEU 259 N 1.48 5.41 0.34 6.97 2.96 -0.45 -0.00 118.68 135.39 1wkf s LEU 259 Ca 0.05 -1.24 -0.28 0.00 -0.22 0.00 0.00 54.13 52.45 1wkf s LEU 259 Cb -0.15 -2.30 -0.10 0.00 0.50 0.00 0.00 46.19 44.15 1wkf s LEU 259 CO -0.03 -0.82 1.27 -0.04 -1.32 0.00 0.00 176.35 175.41 1wkf s MET 260 N 2.14 4.31 -1.00 1.98 -1.94 -1.23 -3.55 119.30 120.02 1wkf s MET 260 Ca 0.09 2.12 0.00 0.00 -1.71 0.00 0.00 55.69 56.19 1wkf s MET 260 Cb -0.23 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.60 1wkf s MET 260 CO 0.08 -0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.31 1wkf n GLY 261 N 0.81 0.89 3.71 -0.03 0.00 -1.18 -4.85 105.19 104.54 1wkf n GLY 261 Ca 0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1wkf n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wkf s VAL 262 N -1.79 5.21 0.00 1.61 1.01 -0.91 -4.79 120.40 120.74 1wkf s VAL 262 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1wkf s VAL 262 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wkf s VAL 262 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1wkf n GLY 263 N 3.44 1.00 3.77 4.51 0.00 -1.26 -3.82 105.19 112.83 1wkf n GLY 263 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1wkf n GLY 263 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkf n LYS 264 N 0.00 2.49 -0.31 1.61 5.02 -1.26 -4.76 118.16 120.96 1wkf n LYS 264 Ca 0.00 0.88 0.16 0.00 -2.02 0.00 0.00 58.31 57.33 1wkf n LYS 264 Cb 0.05 -2.65 0.34 0.00 -0.02 0.00 0.00 35.03 32.74 1wkf n LYS 264 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1wkf h PRO 265 N 2.66 0.24 0.00 1.97 0.11 -2.00 0.17 132.00 135.15 1wkf h PRO 265 Ca -0.51 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1wkf h PRO 265 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1wkf h PRO 265 CO 0.63 0.16 -0.43 0.38 -0.21 0.00 0.00 178.00 178.52 1wkf h ASP 266 N 0.24 0.00 -0.25 -2.05 2.03 -2.00 -2.14 116.42 112.26 1wkf h ASP 266 Ca 0.60 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.82 1wkf h ASP 266 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 1wkf h ASP 266 CO -0.64 0.43 -0.14 0.44 -1.03 0.00 0.00 179.24 178.30 1wkf h ASP 267 N 0.00 0.56 -0.01 4.15 3.32 -1.04 -2.17 116.42 121.23 1wkf h ASP 267 Ca -0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1wkf h ASP 267 Cb 0.84 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1wkf h ASP 267 CO 0.06 0.86 0.01 0.40 -1.72 0.00 0.00 179.24 178.84 1wkf h ILE 268 N 0.26 1.04 -0.49 0.35 2.04 -1.06 -0.31 117.51 119.36 1wkf h ILE 268 Ca 0.05 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1wkf h ILE 268 Cb 0.66 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1wkf h ILE 268 CO 0.04 0.03 0.31 0.58 0.00 0.00 0.00 178.15 179.12 1wkf h VAL 269 N -0.03 1.09 -0.13 1.67 2.07 -1.40 -0.90 116.25 118.62 1wkf h VAL 269 Ca 0.01 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1wkf h VAL 269 Cb 0.05 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1wkf h VAL 269 CO -0.00 0.11 -0.28 1.23 0.02 0.00 0.00 177.57 178.65 1wkf h GLY 270 N 0.63 0.26 1.23 2.17 0.00 -1.27 -2.47 103.07 103.62 1wkf h GLY 270 Ca 0.19 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1wkf h GLY 270 CO -0.06 0.18 -0.46 0.00 0.00 0.00 0.00 176.54 176.21 1wkf h ALA 271 N 1.50 0.60 -0.53 3.60 0.00 -0.46 -2.90 119.26 121.05 1wkf h ALA 271 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1wkf h ALA 271 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wkf h ALA 271 CO 0.04 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 1wkf h VAL 272 N 0.66 1.26 0.00 0.00 2.07 -1.05 -1.61 116.25 117.59 1wkf h VAL 272 Ca 0.04 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1wkf h VAL 272 Cb 1.04 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1wkf h VAL 272 CO 0.10 0.39 0.00 -0.33 0.02 0.00 0.00 177.57 177.76 1wkf h GLU 273 N 0.85 0.00 -0.55 1.57 5.08 -1.32 -1.19 114.58 119.03 1wkf h GLU 273 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1wkf h GLU 273 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wkf h GLU 273 CO 0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1wkf n ARG 274 N -3.02 3.32 -0.05 2.33 1.74 -0.69 -4.19 116.66 116.11 1wkf n ARG 274 Ca -0.02 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 1wkf n ARG 274 Cb 0.13 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1wkf n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wkf n GLY 275 N 0.86 0.82 3.74 -0.13 0.00 -0.45 -4.76 105.19 105.29 1wkf n GLY 275 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1wkf n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wkf s ILE 276 N -2.03 4.60 -0.06 -0.61 -1.09 -0.72 -4.63 121.20 116.65 1wkf s ILE 276 Ca 0.00 1.79 0.12 0.00 -2.23 0.00 0.00 60.65 60.33 1wkf s ILE 276 Cb 0.00 -4.19 -0.18 0.00 -1.58 0.00 0.00 42.46 36.51 1wkf s ILE 276 CO 0.00 0.37 0.19 0.47 -1.23 0.00 0.00 174.94 174.74 1wkf n ASP 277 N 2.61 1.96 -4.05 3.58 8.00 0.69 -4.37 116.55 124.98 1wkf n ASP 277 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 1wkf n ASP 277 Cb 0.50 1.28 -0.13 0.00 -0.02 0.00 0.00 41.12 42.75 1wkf n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wkf s MET 278 N -2.67 0.61 0.04 -1.24 -1.94 -0.86 0.03 119.30 113.27 1wkf s MET 278 Ca -0.05 -0.54 -0.05 0.00 -1.71 0.00 0.00 55.69 53.33 1wkf s MET 278 Cb 0.07 -0.52 -0.01 0.00 2.01 0.00 0.00 34.83 36.38 1wkf s MET 278 CO 0.53 0.12 0.09 -0.06 -0.01 0.00 0.00 175.02 175.70 1wkf s PHE 279 N -0.77 0.21 0.02 -0.03 0.40 0.15 -1.34 117.98 116.63 1wkf s PHE 279 Ca -0.02 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 55.65 1wkf s PHE 279 Cb -0.06 -0.15 0.02 0.00 0.51 0.00 0.00 43.02 43.33 1wkf s PHE 279 CO 0.00 -0.37 0.28 0.16 0.70 0.00 0.00 175.22 176.00 1wkf s ASP 280 N -2.15 -0.12 -0.26 1.36 -4.77 -1.25 -0.02 116.67 109.46 1wkf s ASP 280 Ca -0.05 -0.10 -0.27 0.00 -3.30 0.00 0.00 52.55 48.83 1wkf s ASP 280 Cb -0.01 0.32 0.16 0.00 -1.09 0.00 0.00 42.92 42.31 1wkf s ASP 280 CO -0.05 -0.53 1.24 0.00 0.70 0.00 0.00 175.17 176.53 1wkf n VAL 282 N 1.18 0.00 -0.15 0.00 0.24 -1.26 -4.30 118.33 114.04 1wkf n VAL 282 Ca -0.08 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.09 1wkf n VAL 282 Cb 0.58 0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 1wkf n VAL 282 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1wkf h LEU 283 N 0.14 -1.64 -0.75 1.34 5.85 -1.95 0.22 115.31 118.52 1wkf h LEU 283 Ca 0.00 0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1wkf h LEU 283 Cb 0.49 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1wkf h LEU 283 CO 0.00 -0.38 0.35 1.55 -0.34 0.00 0.00 178.44 179.62 1wkf h PRO 284 N -0.34 0.54 0.05 5.25 0.13 -1.92 0.66 132.00 136.36 1wkf h PRO 284 Ca 0.12 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wkf h PRO 284 Cb 0.59 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1wkf h PRO 284 CO -0.60 0.36 -0.02 1.79 -0.23 0.00 0.00 178.00 179.29 1wkf h THR 285 N 0.56 1.31 0.74 1.56 1.35 -1.78 -2.92 112.91 113.72 1wkf h THR 285 Ca 0.39 -1.28 -0.03 0.00 -0.55 0.00 0.00 66.41 64.93 1wkf h THR 285 Cb 0.49 2.13 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1wkf h THR 285 CO -0.32 0.32 -0.37 -0.09 -0.25 0.00 0.00 175.52 174.80 1wkf h ARG 286 N -0.64 -0.97 0.00 4.72 2.43 -0.33 -2.29 114.38 117.29 1wkf h ARG 286 Ca -0.01 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1wkf h ARG 286 Cb 0.57 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1wkf h ARG 286 CO 0.01 -0.65 0.00 -1.13 -1.51 0.00 0.00 179.97 176.69 1wkf n SER 287 N -5.53 0.43 -0.03 -3.80 3.41 0.23 -2.22 113.62 106.11 1wkf n SER 287 Ca -0.14 0.65 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 1wkf n SER 287 Cb 0.41 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 1wkf n SER 287 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wkf h GLY 288 N 1.03 0.16 1.89 5.00 0.00 -1.21 0.19 103.07 110.13 1wkf h GLY 288 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1wkf h GLY 288 CO 0.00 0.23 -0.00 -0.09 0.00 0.00 0.00 176.54 176.67 1wkf h ARG 289 N -0.54 0.14 0.00 4.80 9.65 -1.15 -2.19 114.38 125.09 1wkf h ARG 289 Ca -0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1wkf h ARG 289 Cb 0.93 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1wkf h ARG 289 CO 0.04 0.16 0.00 0.09 2.80 0.00 0.00 179.97 183.06 1wkf n ASN 290 N -4.44 0.68 0.00 -3.80 5.03 -1.03 -4.90 115.26 106.81 1wkf n ASN 290 Ca -0.01 0.59 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1wkf n ASN 290 Cb 0.14 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 1wkf n ASN 290 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wkf n GLY 291 N 0.93 0.85 3.57 7.41 0.00 -0.83 -4.97 105.19 112.15 1wkf n GLY 291 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1wkf n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wkf s GLN 292 N -0.92 3.89 -0.08 1.61 0.74 0.65 -0.53 119.66 125.02 1wkf s GLN 292 Ca 0.00 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.07 1wkf s GLN 292 Cb 0.00 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 1wkf s GLN 292 CO 0.00 -0.08 -0.13 0.00 -0.55 0.00 0.00 175.29 174.54 1wkf s ALA 293 N 1.40 2.69 0.12 1.58 0.00 -0.25 -3.90 121.76 123.40 1wkf s ALA 293 Ca 0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1wkf s ALA 293 Cb -0.15 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 1wkf s ALA 293 CO 0.06 0.45 0.67 -0.06 0.00 0.00 0.00 175.76 176.88 1wkf s PHE 294 N -0.36 3.86 0.15 0.00 0.08 -1.26 -0.87 117.98 119.57 1wkf s PHE 294 Ca 0.04 1.45 -0.03 0.00 0.12 0.00 0.00 56.93 58.51 1wkf s PHE 294 Cb -0.12 -2.63 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1wkf s PHE 294 CO 0.02 0.55 0.12 0.95 -0.10 0.00 0.00 175.22 176.77 1wkf s THR 295 N -1.14 0.08 -0.90 0.64 -4.23 -1.02 -4.86 115.64 104.21 1wkf s THR 295 Ca 0.32 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1wkf s THR 295 Cb -0.21 -2.08 0.10 0.00 1.34 0.00 0.00 72.50 71.66 1wkf s THR 295 CO 0.23 -0.35 1.37 0.79 -0.54 0.00 0.00 174.62 176.11 1wkf n TRP 296 N -0.15 0.13 -1.28 3.99 7.02 -1.26 -1.41 117.44 124.47 1wkf n TRP 296 Ca -0.05 0.05 -0.06 0.00 -1.02 0.00 0.00 57.50 56.43 1wkf n TRP 296 Cb 0.64 -0.59 0.22 0.00 -2.42 0.00 0.00 31.31 29.16 1wkf n TRP 296 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1wkf n ASP 297 N -1.62 3.25 0.00 -0.99 8.00 -1.26 -3.05 116.55 120.88 1wkf n ASP 297 Ca 0.02 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 51.97 1wkf n ASP 297 Cb 0.12 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1wkf n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wkf n GLY 298 N -0.91 0.32 3.84 0.44 0.00 -0.50 -4.80 105.19 103.58 1wkf n GLY 298 Ca 0.37 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1wkf n GLY 298 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wkf s PRO 299 N -1.78 3.32 0.05 1.61 0.02 -1.26 -2.45 135.00 134.51 1wkf s PRO 299 Ca 0.00 0.91 0.03 0.00 0.02 0.00 0.00 61.00 61.96 1wkf s PRO 299 Cb 0.00 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1wkf s PRO 299 CO 0.00 -0.79 -0.10 0.96 -0.33 0.00 0.00 177.00 176.73 1wkf s ILE 300 N -2.99 0.79 -0.40 2.83 -4.36 -0.05 -4.92 121.20 112.10 1wkf s ILE 300 Ca 0.58 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.77 1wkf s ILE 300 Cb -0.13 -0.79 0.03 0.00 1.25 0.00 0.00 42.46 42.83 1wkf s ILE 300 CO 0.50 -0.24 0.25 0.21 0.24 0.00 0.00 174.94 175.90 1wkf s ASN 301 N -1.45 5.86 0.65 4.36 3.84 -1.26 -1.09 114.94 125.84 1wkf s ASN 301 Ca -0.05 -1.05 0.35 0.00 0.21 0.00 0.00 52.86 52.32 1wkf s ASN 301 Cb -0.09 -2.07 1.93 0.00 -0.55 0.00 0.00 41.25 40.47 1wkf s ASN 301 CO 0.01 -0.44 2.11 -0.29 -2.79 0.00 0.00 177.10 175.70 1wkf h ILE 302 N 5.83 0.08 0.00 -5.21 6.09 -1.19 -1.90 117.51 121.21 1wkf h ILE 302 Ca -0.26 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.21 1wkf h ILE 302 Cb 1.11 0.81 -0.00 0.00 0.47 0.00 0.00 36.82 39.20 1wkf h ILE 302 CO 0.71 0.00 -0.12 0.03 -3.07 0.00 0.00 178.15 175.70 1wkf h ARG 303 N 0.00 0.00 -6.50 2.19 3.08 -1.87 -3.40 114.38 107.87 1wkf h ARG 303 Ca 0.02 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.49 1wkf h ARG 303 Cb 0.41 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.51 1wkf h ARG 303 CO -0.00 0.12 0.84 -1.71 -1.07 0.00 0.00 179.97 178.15 1wkf n ASN 304 N -3.29 3.21 -0.13 7.04 2.85 -0.72 -4.87 115.26 119.35 1wkf n ASN 304 Ca 0.00 1.07 0.28 0.00 -0.11 0.00 0.00 54.58 55.82 1wkf n ASN 304 Cb 0.36 -1.44 0.67 0.00 1.24 0.00 0.00 39.78 40.62 1wkf n ASN 304 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wkf h ALA 305 N 6.25 2.68 0.00 5.20 0.00 -1.91 -0.32 119.26 131.17 1wkf h ALA 305 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wkf h ALA 305 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wkf h ALA 305 CO 0.90 -1.23 0.00 2.89 0.00 0.00 0.00 179.25 181.81 1wkf n ARG 306 N -3.73 0.23 -0.09 0.00 1.85 -1.26 -2.12 116.66 111.54 1wkf n ARG 306 Ca 0.18 0.13 0.09 0.00 -1.00 0.00 0.00 57.85 57.26 1wkf n ARG 306 Cb 1.08 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 31.12 1wkf n ARG 306 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1wkf n PHE 307 N -1.26 0.23 0.17 2.89 3.72 -0.13 -4.60 117.46 118.48 1wkf n PHE 307 Ca 0.07 -0.15 0.15 0.00 -0.05 0.00 0.00 57.45 57.48 1wkf n PHE 307 Cb 0.11 -0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.39 1wkf n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wkf h SER 308 N 3.59 0.00 0.00 4.37 4.64 -1.59 -2.82 113.55 121.74 1wkf h SER 308 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1wkf h SER 308 Cb 0.81 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.81 1wkf h SER 308 CO 0.00 0.00 -0.52 -0.62 -0.87 0.00 0.00 176.83 174.82 1wkf n GLU 309 N -4.16 0.41 -2.76 4.77 1.02 -1.26 -4.69 120.64 113.95 1wkf n GLU 309 Ca 0.02 -1.76 -0.43 0.00 -0.02 0.00 0.00 57.16 54.97 1wkf n GLU 309 Cb 0.32 -0.69 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1wkf n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wkf s ASP 310 N -1.82 6.61 0.02 1.62 -1.08 -1.07 -4.90 116.67 116.05 1wkf s ASP 310 Ca 0.18 0.40 0.28 0.00 -0.52 0.00 0.00 52.55 52.88 1wkf s ASP 310 Cb 0.18 -2.48 1.06 0.00 -1.46 0.00 0.00 42.92 40.22 1wkf s ASP 310 CO -0.04 -1.01 1.81 0.18 0.52 0.00 0.00 175.17 176.63 1wkf n LEU 311 N 7.14 0.16 -4.79 -1.34 7.99 -1.26 -0.89 117.00 124.02 1wkf n LEU 311 Ca 0.08 0.41 -0.33 0.00 -0.01 0.00 0.00 56.01 56.16 1wkf n LEU 311 Cb 0.48 -0.43 0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1wkf n LEU 311 CO 0.63 0.01 0.73 -0.54 -1.51 0.00 0.00 177.39 176.71 1wkf s LYS 312 N -3.01 2.99 0.86 3.23 1.02 -1.26 -4.57 119.74 118.99 1wkf s LYS 312 Ca 0.13 1.29 -0.12 0.00 0.02 0.00 0.00 55.97 57.29 1wkf s LYS 312 Cb 0.18 -1.98 0.11 0.00 -0.52 0.00 0.00 37.83 35.62 1wkf s LYS 312 CO 0.57 -1.09 1.10 -1.25 -0.92 0.00 0.00 175.35 173.76 1wkf s PRO 313 N -4.17 1.56 0.33 -1.68 0.04 -1.26 -1.10 135.00 128.71 1wkf s PRO 313 Ca 0.65 0.66 0.11 0.00 0.04 0.00 0.00 61.00 62.45 1wkf s PRO 313 Cb -0.18 -1.86 0.98 0.00 0.04 0.00 0.00 34.50 33.48 1wkf s PRO 313 CO 0.41 -1.99 1.66 -0.07 0.04 0.00 0.00 177.00 177.05 1wkf h LEU 314 N -1.36 0.37 -7.47 -3.56 4.07 -1.90 -3.39 115.31 102.07 1wkf h LEU 314 Ca -0.49 0.19 -0.22 0.00 0.08 0.00 0.00 57.88 57.45 1wkf h LEU 314 Cb 1.29 0.17 -0.29 0.00 1.08 0.00 0.00 40.66 42.90 1wkf h LEU 314 CO 0.58 -0.13 -0.56 -0.62 -1.08 0.00 0.00 178.44 176.63 1wkf s ASP 315 N -4.96 -0.15 0.24 -0.43 2.15 -1.26 -4.89 116.67 107.36 1wkf s ASP 315 Ca -0.11 0.34 0.23 0.00 0.43 0.00 0.00 52.55 53.44 1wkf s ASP 315 Cb 0.29 0.27 0.96 0.00 -0.30 0.00 0.00 42.92 44.14 1wkf s ASP 315 CO 0.78 -0.11 1.69 -1.54 -0.17 0.00 0.00 175.17 175.82 1wkf n SER 316 N 3.74 0.61 -0.00 -0.34 3.41 -1.26 -3.12 113.62 116.66 1wkf n SER 316 Ca -0.21 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.07 1wkf n SER 316 Cb 0.55 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1wkf n SER 316 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wkf n GLU 317 N -2.19 5.33 -2.02 4.33 1.02 -1.26 -5.03 120.64 120.83 1wkf n GLU 317 Ca 0.02 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 1wkf n GLU 317 Cb 0.21 -0.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 1wkf n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wkf n HIS 319 N 2.64 1.56 -1.86 0.00 1.44 -1.26 -4.76 115.22 112.97 1wkf n HIS 319 Ca 0.08 -0.60 -0.32 0.00 -2.01 0.00 0.00 57.72 54.86 1wkf n HIS 319 Cb 0.40 -0.28 0.03 0.00 0.12 0.00 0.00 29.99 30.26 1wkf n HIS 319 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wkf h ALA 321 N 0.03 2.48 -0.08 0.00 0.00 -1.95 -2.03 119.26 117.71 1wkf h ALA 321 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1wkf h ALA 321 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wkf h ALA 321 CO 0.57 -0.67 -0.02 0.28 0.00 0.00 0.00 179.25 179.40 1wkf h VAL 322 N 0.10 1.30 0.00 0.00 2.07 -1.91 -1.86 116.25 115.94 1wkf h VAL 322 Ca 0.32 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1wkf h VAL 322 Cb 1.12 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1wkf h VAL 322 CO -0.03 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1wkf h GLN 324 N 0.00 0.00 0.00 0.00 1.08 -1.21 -3.42 115.11 111.56 1wkf h GLN 324 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wkf h GLN 324 Cb 0.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wkf h GLN 324 CO 0.00 0.22 -1.13 1.63 -0.95 0.00 0.00 178.83 178.60 1wkf n LYS 325 N -2.88 0.54 -4.25 1.46 5.02 -0.71 -5.07 118.16 112.26 1wkf n LYS 325 Ca -0.05 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 1wkf n LYS 325 Cb 0.73 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.55 1wkf n LYS 325 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1wkf s TRP 326 N -2.17 1.53 0.38 2.13 0.51 0.13 -5.08 118.94 116.38 1wkf s TRP 326 Ca -0.01 -0.49 -0.00 0.00 -2.12 0.00 0.00 56.10 53.48 1wkf s TRP 326 Cb 0.02 -0.82 -0.03 0.00 -0.81 0.00 0.00 33.47 31.83 1wkf s TRP 326 CO 0.11 0.18 0.60 -1.54 -0.51 0.00 0.00 176.95 175.78 1wkf s SER 327 N -2.21 6.22 0.23 2.95 1.04 -1.26 -4.45 113.70 116.20 1wkf s SER 327 Ca 0.07 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 56.91 1wkf s SER 327 Cb -0.07 -1.98 0.30 0.00 0.10 0.00 0.00 66.02 64.37 1wkf s SER 327 CO 0.04 -0.39 1.82 0.03 0.98 0.00 0.00 173.24 175.72 1wkf h ARG 328 N 0.63 0.77 -0.51 4.02 3.08 -1.03 -2.07 114.38 119.27 1wkf h ARG 328 Ca -0.49 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 59.61 1wkf h ARG 328 Cb 1.22 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 1wkf h ARG 328 CO 0.61 0.51 0.08 0.00 -1.07 0.00 0.00 179.97 180.10 1wkf h ALA 329 N 1.39 0.56 0.05 0.04 0.00 -0.94 0.51 119.26 120.87 1wkf h ALA 329 Ca 0.34 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1wkf h ALA 329 Cb 0.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wkf h ALA 329 CO -0.19 -0.32 -0.02 -0.92 0.00 0.00 0.00 179.25 177.79 1wkf h TYR 330 N 0.21 -0.06 -0.58 0.00 3.20 -1.75 -2.12 116.97 115.87 1wkf h TYR 330 Ca 0.26 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1wkf h TYR 330 Cb 0.36 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1wkf h TYR 330 CO -0.25 0.24 0.28 0.82 -1.64 0.00 0.00 178.16 177.61 1wkf h ILE 331 N -0.36 1.19 -0.18 1.81 2.04 -0.97 0.15 117.51 121.20 1wkf h ILE 331 Ca -0.01 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1wkf h ILE 331 Cb 0.33 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1wkf h ILE 331 CO 0.01 0.23 0.05 -0.74 0.00 0.00 0.00 178.15 177.69 1wkf h HIS 332 N 0.82 0.08 0.04 1.37 -0.00 0.05 -0.69 115.15 116.82 1wkf h HIS 332 Ca 0.20 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1wkf h HIS 332 Cb 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1wkf h HIS 332 CO 0.01 0.03 -0.10 1.25 -0.00 0.00 0.00 177.93 179.12 1wkf h HIS 333 N 0.12 -0.26 -0.27 5.26 -0.00 -0.52 -1.24 115.15 118.24 1wkf h HIS 333 Ca 0.08 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 1wkf h HIS 333 Cb 0.06 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 1wkf h HIS 333 CO -0.13 -0.16 0.03 -0.07 -0.00 0.00 0.00 177.93 177.60 1wkf h LEU 334 N -0.20 -0.05 -0.44 0.26 4.07 -0.71 0.46 115.31 118.72 1wkf h LEU 334 Ca 0.03 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 1wkf h LEU 334 Cb 0.22 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1wkf h LEU 334 CO -0.07 0.01 0.06 0.40 -1.08 0.00 0.00 178.44 177.75 1wkf h ILE 335 N 0.12 1.25 -0.00 1.22 1.08 -1.04 0.50 117.51 120.63 1wkf h ILE 335 Ca 0.13 -0.92 -0.06 0.00 -0.39 0.00 0.00 64.86 63.62 1wkf h ILE 335 Cb 0.15 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1wkf h ILE 335 CO -0.19 0.32 -0.28 0.03 -0.69 0.00 0.00 178.15 177.35 1wkf h ARG 336 N 0.59 0.01 -0.00 2.37 3.08 -0.96 -1.33 114.38 118.14 1wkf h ARG 336 Ca 0.13 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wkf h ARG 336 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wkf h ARG 336 CO 0.01 0.28 -0.08 0.00 -1.07 0.00 0.00 179.97 179.12 1wkf n ALA 337 N -2.49 2.66 -2.19 0.04 0.00 0.13 -4.91 120.51 113.76 1wkf n ALA 337 Ca -0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1wkf n ALA 337 Cb 0.33 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1wkf n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkf n GLY 338 N 1.30 -0.06 3.74 0.00 0.00 -0.50 -4.98 105.19 104.68 1wkf n GLY 338 Ca 0.14 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1wkf n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wkf s GLU 339 N -4.54 4.67 0.24 1.61 0.41 0.07 -4.97 118.70 116.19 1wkf s GLU 339 Ca 0.00 1.61 -0.05 0.00 -0.41 0.00 0.00 54.97 56.12 1wkf s GLU 339 Cb 0.00 -3.30 0.38 0.00 -1.78 0.00 0.00 34.13 29.42 1wkf s GLU 339 CO 0.00 0.19 1.80 0.82 -0.49 0.00 0.00 175.26 177.58 1wkf h ILE 340 N 3.70 0.88 -0.70 -1.63 2.04 -1.94 0.55 117.51 120.41 1wkf h ILE 340 Ca -0.44 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.35 1wkf h ILE 340 Cb 1.21 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1wkf h ILE 340 CO 0.71 0.13 0.49 0.25 0.00 0.00 0.00 178.15 179.73 1wkf h LEU 341 N 0.71 0.15 -0.50 1.44 5.85 -1.94 -0.77 115.31 120.24 1wkf h LEU 341 Ca 0.38 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.12 1wkf h LEU 341 Cb 0.37 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1wkf h LEU 341 CO -0.26 0.07 0.32 1.23 -0.34 0.00 0.00 178.44 179.47 1wkf h GLY 342 N 0.15 0.70 1.14 3.75 0.00 -1.15 0.97 103.07 108.63 1wkf h GLY 342 Ca 0.34 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1wkf h GLY 342 CO -0.05 0.24 -0.15 0.00 0.00 0.00 0.00 176.54 176.58 1wkf h ALA 343 N 1.19 0.76 0.03 3.60 0.00 -1.21 -1.57 119.26 122.07 1wkf h ALA 343 Ca 0.19 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wkf h ALA 343 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wkf h ALA 343 CO -0.05 0.67 -0.01 0.52 0.00 0.00 0.00 179.25 180.38 1wkf h MET 344 N 0.88 -0.03 -0.24 0.00 2.07 -0.95 -0.58 114.93 116.07 1wkf h MET 344 Ca 0.13 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.70 1wkf h MET 344 Cb 0.71 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.45 1wkf h MET 344 CO 0.05 0.02 -0.07 -0.07 1.07 0.00 0.00 176.91 177.91 1wkf h LEU 345 N -0.08 0.48 -0.42 1.22 4.07 -0.81 -2.27 115.31 117.51 1wkf h LEU 345 Ca -0.00 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 1wkf h LEU 345 Cb 0.07 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1wkf h LEU 345 CO 0.01 0.75 0.22 0.24 -1.08 0.00 0.00 178.44 178.58 1wkf h MET 346 N 0.21 0.60 -0.23 1.13 2.86 -1.28 -1.99 114.93 116.22 1wkf h MET 346 Ca 0.06 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wkf h MET 346 Cb 0.55 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1wkf h MET 346 CO 0.03 0.50 0.09 1.15 1.06 0.00 0.00 176.91 179.74 1wkf h THR 347 N 0.55 1.17 -0.40 2.22 2.02 -1.13 -1.18 112.91 116.15 1wkf h THR 347 Ca 0.15 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.84 1wkf h THR 347 Cb 0.08 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1wkf h THR 347 CO -0.02 0.17 0.23 -0.08 0.37 0.00 0.00 175.52 176.18 1wkf h GLU 348 N 0.23 0.44 -0.17 6.66 4.81 -1.37 -0.11 114.58 125.07 1wkf h GLU 348 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1wkf h GLU 348 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1wkf h GLU 348 CO -0.01 0.29 0.09 1.25 -0.73 0.00 0.00 179.01 179.91 1wkf h HIS 349 N 0.46 0.22 -0.60 0.92 2.76 -1.21 -0.06 115.15 117.64 1wkf h HIS 349 Ca 0.16 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1wkf h HIS 349 Cb 0.03 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1wkf h HIS 349 CO -0.08 0.21 0.36 -0.91 -1.30 0.00 0.00 177.93 176.20 1wkf h ASN 350 N 0.18 0.57 -0.44 3.26 -0.26 -0.75 0.52 115.58 118.65 1wkf h ASN 350 Ca 0.06 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.69 1wkf h ASN 350 Cb 0.05 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1wkf h ASN 350 CO -0.01 0.39 -0.18 0.40 -1.06 0.00 0.00 177.43 176.97 1wkf h ILE 351 N 0.70 1.27 -0.48 2.81 2.04 -0.96 -1.32 117.51 121.57 1wkf h ILE 351 Ca 0.25 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1wkf h ILE 351 Cb 0.06 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1wkf h ILE 351 CO -0.12 0.46 0.31 0.00 0.00 0.00 0.00 178.15 178.80 1wkf h ALA 352 N 0.96 0.61 -0.38 1.87 0.00 -0.18 -1.41 119.26 120.73 1wkf h ALA 352 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wkf h ALA 352 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wkf h ALA 352 CO 0.06 0.03 0.24 0.35 0.00 0.00 0.00 179.25 179.93 1wkf h PHE 353 N 0.62 0.49 -0.62 0.00 3.57 0.32 -1.45 116.94 119.87 1wkf h PHE 353 Ca 0.18 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1wkf h PHE 353 Cb -0.05 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 1wkf h PHE 353 CO -0.05 0.33 0.38 1.88 -2.23 0.00 0.00 178.31 178.62 1wkf h TYR 354 N 0.51 0.71 -0.42 0.41 -1.99 -0.85 -1.20 116.97 114.13 1wkf h TYR 354 Ca 0.14 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 1wkf h TYR 354 Cb -0.03 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 1wkf h TYR 354 CO -0.04 0.40 -0.09 1.96 -0.00 0.00 0.00 178.16 180.39 1wkf h GLN 355 N 0.75 0.74 -0.46 4.88 1.08 -0.99 -1.62 115.11 119.49 1wkf h GLN 355 Ca 0.25 -0.23 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1wkf h GLN 355 Cb 0.02 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1wkf h GLN 355 CO -0.10 0.82 -0.09 1.96 -0.95 0.00 0.00 178.83 180.47 1wkf h GLN 356 N 0.68 0.82 -0.64 1.46 4.20 -0.92 -0.70 115.11 120.02 1wkf h GLN 356 Ca 0.12 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 1wkf h GLN 356 Cb 0.55 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1wkf h GLN 356 CO 0.03 0.88 0.21 1.25 -0.67 0.00 0.00 178.83 180.53 1wkf h LEU 357 N 0.74 0.91 -0.86 1.46 5.85 -0.89 -0.21 115.31 122.32 1wkf h LEU 357 Ca 0.13 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1wkf h LEU 357 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1wkf h LEU 357 CO 0.04 0.87 -0.25 0.24 -0.34 0.00 0.00 178.44 179.00 1wkf h MET 358 N 0.91 0.57 -0.46 1.25 2.86 -0.82 -0.48 114.93 118.75 1wkf h MET 358 Ca 0.21 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1wkf h MET 358 Cb 0.27 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1wkf h MET 358 CO -0.01 0.77 -0.22 0.37 1.06 0.00 0.00 176.91 178.88 1wkf h GLN 359 N 0.50 0.95 -0.60 1.72 5.75 -0.77 0.15 115.11 122.80 1wkf h GLN 359 Ca 0.07 -0.40 -0.08 0.00 -0.15 0.00 0.00 58.65 58.09 1wkf h GLN 359 Cb 0.69 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1wkf h GLN 359 CO 0.05 1.06 0.06 0.87 -2.65 0.00 0.00 178.83 178.23 1wkf h LYS 360 N 0.82 1.02 0.19 1.69 1.57 -0.83 -0.26 116.57 120.77 1wkf h LYS 360 Ca 0.11 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1wkf h LYS 360 Cb 0.78 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1wkf h LYS 360 CO 0.07 0.98 -0.09 0.82 -0.57 0.00 0.00 179.45 180.65 1wkf h ILE 361 N 0.92 0.89 -0.81 1.86 2.04 -0.79 -1.76 117.51 119.86 1wkf h ILE 361 Ca 0.18 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1wkf h ILE 361 Cb 0.48 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1wkf h ILE 361 CO 0.02 0.10 0.49 0.03 0.00 0.00 0.00 178.15 178.79 1wkf h ARG 362 N -0.47 0.89 -0.40 2.37 3.08 -0.91 -1.98 114.38 116.96 1wkf h ARG 362 Ca -0.03 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1wkf h ARG 362 Cb 0.36 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1wkf h ARG 362 CO 0.04 0.59 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.98 1wkf h ASP 363 N 0.91 0.79 0.07 7.04 3.32 -1.02 -2.37 116.42 125.17 1wkf h ASP 363 Ca 0.35 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1wkf h ASP 363 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1wkf h ASP 363 CO -0.17 0.97 -0.28 0.77 -1.72 0.00 0.00 179.24 178.82 1wkf h SER 364 N 0.59 0.33 -0.23 6.45 4.64 -1.13 -1.56 113.55 122.64 1wkf h SER 364 Ca 0.10 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1wkf h SER 364 Cb 0.64 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1wkf h SER 364 CO 0.04 0.61 -0.14 0.40 -0.87 0.00 0.00 176.83 176.87 1wkf h ILE 365 N 0.29 1.31 -0.12 0.95 2.04 -1.32 0.20 117.51 120.86 1wkf h ILE 365 Ca 0.04 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1wkf h ILE 365 Cb 0.65 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1wkf h ILE 365 CO 0.05 0.38 0.07 0.28 0.00 0.00 0.00 178.15 178.93 1wkf h SER 366 N 0.22 0.14 0.09 1.72 0.02 -1.29 -1.75 113.55 112.70 1wkf h SER 366 Ca 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wkf h SER 366 Cb 0.66 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1wkf h SER 366 CO 0.04 0.11 -0.22 -0.62 -1.14 0.00 0.00 176.83 175.01 1wkf n GLU 367 N -4.51 1.30 -2.28 3.45 1.02 -0.60 -4.96 120.64 114.06 1wkf n GLU 367 Ca -0.01 -0.89 -0.09 0.00 -0.02 0.00 0.00 57.16 56.14 1wkf n GLU 367 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1wkf n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wkf n GLY 368 N 1.32 0.03 1.16 0.62 0.00 -0.20 -4.92 105.19 103.20 1wkf n GLY 368 Ca 0.13 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1wkf n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wkf n ARG 369 N -1.97 0.44 -0.12 1.61 1.85 0.52 -4.85 116.66 114.15 1wkf n ARG 369 Ca -0.09 -2.28 -0.11 0.00 -1.00 0.00 0.00 57.85 54.37 1wkf n ARG 369 Cb 0.58 -0.49 -0.02 0.00 -1.05 0.00 0.00 32.46 31.47 1wkf n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1wkf h PHE 370 N 0.90 0.70 -0.77 2.89 3.57 -1.79 -1.74 116.94 120.70 1wkf h PHE 370 Ca -0.15 -0.13 0.14 0.00 3.53 0.00 0.00 57.97 61.36 1wkf h PHE 370 Cb 1.61 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.08 1wkf h PHE 370 CO 0.32 0.76 0.33 1.03 -2.23 0.00 0.00 178.31 178.51 1wkf h SER 371 N 0.43 0.34 -0.08 0.41 0.87 -1.90 0.25 113.55 113.87 1wkf h SER 371 Ca 0.10 0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.58 1wkf h SER 371 Cb 0.50 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1wkf h SER 371 CO 0.02 0.13 -0.60 -0.61 -0.53 0.00 0.00 176.83 175.25 1wkf h GLN 372 N 0.48 0.68 -0.34 2.24 5.75 -1.91 -2.46 115.11 119.55 1wkf h GLN 372 Ca 0.42 -0.46 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1wkf h GLN 372 Cb 0.62 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1wkf h GLN 372 CO -0.39 1.08 0.22 0.35 -2.65 0.00 0.00 178.83 177.45 1wkf h PHE 373 N 0.51 0.44 -0.64 3.99 3.57 -0.17 -0.06 116.94 124.58 1wkf h PHE 373 Ca -0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1wkf h PHE 373 Cb 1.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1wkf h PHE 373 CO 0.06 0.29 0.42 0.00 -2.23 0.00 0.00 178.31 176.85 1wkf h ALA 374 N 1.12 0.81 -0.10 2.41 0.00 -0.53 0.17 119.26 123.13 1wkf h ALA 374 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wkf h ALA 374 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1wkf h ALA 374 CO -0.03 0.23 0.02 0.37 0.00 0.00 0.00 179.25 179.85 1wkf h GLN 375 N 0.86 0.16 -0.53 0.00 4.15 -1.18 -1.72 115.11 116.85 1wkf h GLN 375 Ca 0.23 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 1wkf h GLN 375 Cb -0.09 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1wkf h GLN 375 CO -0.05 0.35 0.03 -0.44 -1.93 0.00 0.00 178.83 176.79 1wkf h ASP 376 N -0.05 0.84 0.45 -0.69 3.32 -0.75 -1.72 116.42 117.82 1wkf h ASP 376 Ca 0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1wkf h ASP 376 Cb 0.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1wkf h ASP 376 CO 0.00 0.88 -0.30 0.15 -1.72 0.00 0.00 179.24 178.26 1wkf h PHE 377 N 0.82 -0.78 -0.71 4.55 3.57 -0.55 -2.25 116.94 121.59 1wkf h PHE 377 Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1wkf h PHE 377 Cb 0.44 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1wkf h PHE 377 CO 0.03 -0.45 0.43 0.00 -2.23 0.00 0.00 178.31 176.09 1wkf h ARG 378 N -0.72 0.80 -0.97 1.11 3.08 -1.15 0.12 114.38 116.66 1wkf h ARG 378 Ca -0.05 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1wkf h ARG 378 Cb 0.60 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 1wkf h ARG 378 CO 0.04 0.53 0.64 0.00 -1.07 0.00 0.00 179.97 180.11 1wkf h ALA 379 N 1.32 1.31 0.09 0.04 0.00 -1.14 -1.94 119.26 118.95 1wkf h ALA 379 Ca 0.30 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1wkf h ALA 379 Cb 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1wkf h ALA 379 CO -0.13 0.63 -0.80 -0.09 0.00 0.00 0.00 179.25 178.86 1wkf h ARG 380 N 1.31 0.19 -0.69 0.00 2.43 -1.04 -3.35 114.38 113.21 1wkf h ARG 380 Ca 0.36 -0.32 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1wkf h ARG 380 Cb -0.14 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1wkf h ARG 380 CO -0.08 1.15 0.46 -0.92 -1.51 0.00 0.00 179.97 179.07 1wkf h TYR 381 N -0.57 0.79 -0.03 2.20 3.20 -0.68 -3.41 116.97 118.47 1wkf h TYR 381 Ca -0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1wkf h TYR 381 Cb 1.48 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1wkf h TYR 381 CO 0.19 0.45 0.00 1.19 -1.64 0.00 0.00 178.16 178.35