#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e2k s PRO 47 N 0.00 1.32 0.16 0.03 0.04 -1.26 -4.73 135.00 130.56 1e2k s PRO 47 Ca 0.00 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1e2k s PRO 47 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1e2k s PRO 47 CO 0.00 -2.29 0.19 0.95 0.04 0.00 0.00 177.00 175.90 1e2k s THR 48 N -2.80 4.80 0.02 1.26 -4.23 -1.26 -1.85 115.64 111.57 1e2k s THR 48 Ca 0.64 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1e2k s THR 48 Cb -0.20 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 1e2k s THR 48 CO 0.58 -0.11 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.18 1e2k s LEU 49 N -3.18 2.11 -0.23 4.79 2.96 0.14 -1.43 118.68 123.84 1e2k s LEU 49 Ca 0.32 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1e2k s LEU 49 Cb -0.10 -0.66 0.04 0.00 0.50 0.00 0.00 46.19 45.97 1e2k s LEU 49 CO 0.25 0.10 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.02 1e2k s LEU 50 N -0.79 2.98 -0.18 -0.68 2.96 -0.48 -0.99 118.68 121.50 1e2k s LEU 50 Ca 0.03 -1.09 -0.08 0.00 -0.22 0.00 0.00 54.13 52.77 1e2k s LEU 50 Cb -0.07 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1e2k s LEU 50 CO 0.00 -0.12 0.08 -0.13 -1.32 0.00 0.00 176.35 174.87 1e2k s ARG 51 N 1.19 3.98 -0.15 1.98 0.52 -1.26 -0.05 118.95 125.16 1e2k s ARG 51 Ca -0.03 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1e2k s ARG 51 Cb -0.17 -3.25 0.04 0.00 0.52 0.00 0.00 34.95 32.09 1e2k s ARG 51 CO -0.08 0.32 -0.02 0.08 0.02 0.00 0.00 175.30 175.63 1e2k s VAL 52 N 0.24 0.77 -0.34 3.52 1.01 0.02 -3.76 120.40 121.86 1e2k s VAL 52 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1e2k s VAL 52 Cb -0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1e2k s VAL 52 CO -0.00 0.08 0.25 -0.31 0.00 0.00 0.00 175.10 175.12 1e2k s TYR 53 N 1.78 3.23 -0.38 5.22 1.51 -0.25 0.16 117.35 128.62 1e2k s TYR 53 Ca 0.02 -0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1e2k s TYR 53 Cb -0.15 -2.49 0.01 0.00 -0.11 0.00 0.00 41.96 39.22 1e2k s TYR 53 CO -0.07 -0.37 0.63 0.42 -1.11 0.00 0.00 175.55 175.05 1e2k s ILE 54 N 1.75 4.88 0.02 2.71 -1.09 0.90 -0.38 121.20 129.98 1e2k s ILE 54 Ca 0.07 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 1e2k s ILE 54 Cb -0.17 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1e2k s ILE 54 CO 0.11 -0.39 0.01 -0.67 -1.23 0.00 0.00 174.94 172.77 1e2k n ASP 55 N 6.09 0.25 0.00 3.58 -0.08 0.17 -0.64 116.55 125.91 1e2k n ASP 55 Ca -0.02 -1.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 1e2k n ASP 55 Cb 0.48 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1e2k n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1e2k n GLY 56 N 0.61 0.79 3.69 0.27 0.00 -1.26 -4.04 105.19 105.26 1e2k n GLY 56 Ca 0.00 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 1e2k n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1e2k n PRO 57 N -0.66 1.35 -1.24 1.61 -0.02 -1.26 -4.98 135.00 129.80 1e2k n PRO 57 Ca 0.00 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 1e2k n PRO 57 Cb 0.00 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.21 1e2k n PRO 57 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1e2k s HIS 58 N -1.36 2.37 0.00 6.00 -3.43 -1.26 -4.00 115.29 113.61 1e2k s HIS 58 Ca 0.74 1.25 0.00 0.00 -0.80 0.00 0.00 55.06 56.25 1e2k s HIS 58 Cb -0.43 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.57 1e2k s HIS 58 CO 0.48 -2.33 0.00 0.41 -2.00 0.00 0.00 174.74 171.30 1e2k n GLY 59 N -1.22 0.73 0.06 -1.38 0.00 -1.26 -4.93 105.19 97.19 1e2k n GLY 59 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1e2k n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1e2k n MET 60 N -2.45 0.61 0.00 1.61 0.00 -1.26 -3.13 117.12 112.50 1e2k n MET 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1e2k n MET 60 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.56 1e2k n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1e2k n GLY 61 N 1.23 1.55 0.14 -5.12 0.00 -1.26 -4.94 105.19 96.80 1e2k n GLY 61 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1e2k n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e2k h LYS 62 N 0.00 0.39 -0.44 1.61 1.57 -1.93 -1.35 116.57 116.42 1e2k h LYS 62 Ca 0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1e2k h LYS 62 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1e2k h LYS 62 CO 0.00 0.26 -0.23 1.15 -0.57 0.00 0.00 179.45 180.06 1e2k h THR 63 N 0.40 1.27 -0.11 -0.16 2.02 -1.97 -1.61 112.91 112.75 1e2k h THR 63 Ca 0.11 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 65.93 1e2k h THR 63 Cb -0.04 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1e2k h THR 63 CO -0.02 0.47 -0.13 0.74 0.37 0.00 0.00 175.52 176.95 1e2k h THR 64 N 0.77 0.65 0.00 3.16 2.02 -1.89 -1.51 112.91 116.11 1e2k h THR 64 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1e2k h THR 64 Cb 0.81 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1e2k h THR 64 CO 0.07 0.00 -0.02 0.71 0.37 0.00 0.00 175.52 176.64 1e2k h THR 65 N -0.17 0.07 0.00 3.16 1.35 -1.20 -2.62 112.91 113.50 1e2k h THR 65 Ca 0.08 -0.57 -0.15 0.00 -0.55 0.00 0.00 66.41 65.22 1e2k h THR 65 Cb 0.28 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1e2k h THR 65 CO -0.20 0.02 -1.10 0.74 -0.25 0.00 0.00 175.52 174.73 1e2k h THR 66 N 0.00 0.69 0.45 6.82 2.02 -0.83 -2.87 112.91 119.19 1e2k h THR 66 Ca -0.00 -2.16 -0.02 0.00 0.77 0.00 0.00 66.41 64.99 1e2k h THR 66 Cb 0.53 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1e2k h THR 66 CO 0.00 0.40 -0.22 1.56 0.37 0.00 0.00 175.52 177.63 1e2k h GLN 67 N 0.00 -0.59 -0.87 6.66 7.50 -0.92 -2.99 115.11 123.90 1e2k h GLN 67 Ca -0.10 0.04 0.07 0.00 0.50 0.00 0.00 58.65 59.15 1e2k h GLN 67 Cb 1.54 0.13 -0.06 0.00 0.05 0.00 0.00 27.48 29.15 1e2k h GLN 67 CO 0.06 -0.37 0.57 -0.07 -1.50 0.00 0.00 178.83 177.52 1e2k h LEU 68 N -0.65 0.86 -0.46 1.46 -0.00 -1.61 -1.97 115.31 112.94 1e2k h LEU 68 Ca -0.06 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.86 1e2k h LEU 68 Cb 0.49 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 1e2k h LEU 68 CO 0.10 0.55 0.23 0.25 -0.00 0.00 0.00 178.44 179.57 1e2k h LEU 69 N 0.97 0.34 -3.58 1.67 7.12 -1.36 -2.25 115.31 118.23 1e2k h LEU 69 Ca 0.38 0.02 -0.13 0.00 0.13 0.00 0.00 57.88 58.28 1e2k h LEU 69 Cb 0.22 -0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.23 1e2k h LEU 69 CO -0.14 0.24 0.14 0.55 -0.13 0.00 0.00 178.44 179.10 1e2k n VAL 70 N -4.89 2.75 -2.91 1.05 3.14 -1.09 -5.11 118.33 111.27 1e2k n VAL 70 Ca 0.03 -1.73 -0.37 0.00 -2.96 0.00 0.00 64.34 59.31 1e2k n VAL 70 Cb 0.11 -0.32 -0.01 0.00 -1.06 0.00 0.00 33.84 32.56 1e2k n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e2k n ALA 71 N -0.14 5.29 0.42 1.55 0.00 -0.76 -5.07 120.51 121.80 1e2k n ALA 71 Ca 0.34 -4.71 0.11 0.00 0.00 0.00 0.00 53.44 49.18 1e2k n ALA 71 Cb 1.23 -1.79 0.26 0.00 0.00 0.00 0.00 19.45 19.15 1e2k n ALA 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1e2k n ASP 76 N 0.42 3.13 -1.01 0.00 2.03 -1.26 -4.98 116.55 114.88 1e2k n ASP 76 Ca 0.36 -1.95 0.10 0.00 0.52 0.00 0.00 54.79 53.81 1e2k n ASP 76 Cb 0.32 -0.26 0.22 0.00 -0.72 0.00 0.00 41.12 40.68 1e2k n ASP 76 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1e2k n ASP 77 N 1.26 3.34 -3.67 1.67 5.75 -1.26 -4.84 116.55 118.81 1e2k n ASP 77 Ca 0.19 -1.95 -0.13 0.00 -0.01 0.00 0.00 54.79 52.90 1e2k n ASP 77 Cb 0.54 -0.30 -0.13 0.00 -1.03 0.00 0.00 41.12 40.21 1e2k n ASP 77 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1e2k s ILE 78 N -1.15 -0.43 0.00 2.12 2.07 -1.26 -1.13 121.20 121.42 1e2k s ILE 78 Ca 0.35 0.26 0.07 0.00 -1.41 0.00 0.00 60.65 59.92 1e2k s ILE 78 Cb 0.19 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 1e2k s ILE 78 CO 0.26 0.11 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.49 1e2k s VAL 79 N 2.39 1.77 -0.18 4.00 1.01 -0.63 -4.98 120.40 123.77 1e2k s VAL 79 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1e2k s VAL 79 Cb -0.12 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1e2k s VAL 79 CO -0.09 0.42 0.01 -0.47 0.00 0.00 0.00 175.10 174.97 1e2k s TYR 80 N -0.61 3.11 -0.49 5.22 5.04 -1.26 -1.24 117.35 127.13 1e2k s TYR 80 Ca 0.09 -0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.36 1e2k s TYR 80 Cb -0.09 -2.05 0.10 0.00 0.35 0.00 0.00 41.96 40.27 1e2k s TYR 80 CO -0.00 -0.03 0.41 0.08 -1.34 0.00 0.00 175.55 174.67 1e2k s VAL 81 N 0.59 5.05 0.92 3.14 1.01 0.12 -4.79 120.40 126.44 1e2k s VAL 81 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1e2k s VAL 81 Cb -0.14 -4.12 0.17 0.00 0.00 0.00 0.00 36.38 32.29 1e2k s VAL 81 CO 0.02 -0.68 1.28 -2.16 0.00 0.00 0.00 175.10 173.56 1e2k s PRO 82 N 1.59 0.99 0.07 2.72 0.04 -1.26 -0.89 135.00 138.25 1e2k s PRO 82 Ca 0.04 -0.26 -0.31 0.00 0.04 0.00 0.00 61.00 60.51 1e2k s PRO 82 Cb -0.26 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1e2k s PRO 82 CO 0.04 -2.20 1.65 -2.00 0.04 0.00 0.00 177.00 174.53 1e2k s GLU 83 N -5.80 4.20 -1.04 4.56 2.12 -1.26 -4.67 118.70 116.81 1e2k s GLU 83 Ca 0.71 2.32 -0.08 0.00 0.36 0.00 0.00 54.97 58.28 1e2k s GLU 83 Cb -0.06 -3.59 -0.13 0.00 0.26 0.00 0.00 34.13 30.61 1e2k s GLU 83 CO 0.52 -0.73 3.15 -0.35 -0.54 0.00 0.00 175.26 177.31 1e2k n PRO 84 N 5.57 3.16 -0.17 4.30 -0.04 -1.26 -4.14 135.00 142.41 1e2k n PRO 84 Ca 0.16 -1.88 0.07 0.00 -0.04 0.00 0.00 63.50 61.81 1e2k n PRO 84 Cb 0.41 -2.51 0.37 0.00 -0.04 0.00 0.00 33.50 31.72 1e2k n PRO 84 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1e2k h MET 85 N 4.26 0.70 0.00 0.54 4.05 -1.76 0.15 114.93 122.87 1e2k h MET 85 Ca 0.63 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.94 1e2k h MET 85 Cb 0.70 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1e2k h MET 85 CO 1.23 0.46 -0.33 1.15 0.23 0.00 0.00 176.91 179.65 1e2k h THR 86 N 0.72 1.04 -0.39 -0.77 2.02 -1.48 0.26 112.91 114.31 1e2k h THR 86 Ca 0.31 -1.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.13 1e2k h THR 86 Cb 0.30 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1e2k h THR 86 CO -0.10 0.33 -0.32 0.22 0.37 0.00 0.00 175.52 176.01 1e2k h TYR 87 N 0.00 1.07 -0.50 3.16 3.20 -0.87 -0.84 116.97 122.19 1e2k h TYR 87 Ca -0.00 -0.30 -0.11 0.00 3.14 0.00 0.00 58.73 61.45 1e2k h TYR 87 Cb 0.67 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1e2k h TYR 87 CO 0.00 1.11 -0.12 -1.49 -1.64 0.00 0.00 178.16 176.02 1e2k h TRP 88 N 0.71 1.04 0.00 -3.82 6.55 -0.95 0.20 115.95 119.68 1e2k h TRP 88 Ca 0.07 -0.21 -0.26 0.00 0.95 0.00 0.00 58.89 59.44 1e2k h TRP 88 Cb 0.90 -0.26 -0.05 0.00 -0.86 0.00 0.00 29.16 28.90 1e2k h TRP 88 CO 0.06 0.99 -1.65 0.54 -1.05 0.00 0.00 178.44 177.33 1e2k n ARG 89 N -4.14 0.63 0.02 0.49 1.74 0.03 -1.29 116.66 114.14 1e2k n ARG 89 Ca 0.01 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1e2k n ARG 89 Cb 0.40 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1e2k n ARG 89 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1e2k n VAL 90 N -3.00 0.09 -0.06 1.55 0.31 -0.43 -0.99 118.33 115.79 1e2k n VAL 90 Ca -0.15 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.09 1e2k n VAL 90 Cb 1.01 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 33.02 1e2k n VAL 90 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1e2k h LEU 91 N 0.00 0.29 0.17 7.52 3.38 -1.12 -3.25 115.31 122.30 1e2k h LEU 91 Ca 0.00 -0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.43 1e2k h LEU 91 Cb 0.29 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.99 1e2k h LEU 91 CO 0.00 0.45 -1.33 1.23 0.09 0.00 0.00 178.44 178.89 1e2k h GLY 92 N 0.12 0.46 -2.56 0.83 0.00 -0.84 -3.49 103.07 97.59 1e2k h GLY 92 Ca 0.06 -1.14 0.26 0.00 0.00 0.00 0.00 47.33 46.51 1e2k h GLY 92 CO 0.00 1.00 0.68 0.00 0.00 0.00 0.00 176.54 178.23 1e2k s ALA 93 N -2.67 -1.99 -0.27 3.60 0.00 -1.23 -5.04 121.76 114.16 1e2k s ALA 93 Ca -0.06 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 1e2k s ALA 93 Cb 0.06 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1e2k s ALA 93 CO 0.91 -1.05 0.74 0.45 0.00 0.00 0.00 175.76 176.81 1e2k s SER 94 N -2.99 6.68 -0.98 0.00 0.15 -1.26 -2.86 113.70 112.45 1e2k s SER 94 Ca 0.14 0.78 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 1e2k s SER 94 Cb 0.02 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 1e2k s SER 94 CO -0.01 -0.49 0.66 -0.62 1.20 0.00 0.00 173.24 173.97 1e2k n GLU 95 N 5.96 -1.08 0.20 5.44 -0.58 -0.17 -4.81 120.64 125.59 1e2k n GLU 95 Ca 0.03 0.57 0.04 0.00 -0.42 0.00 0.00 57.16 57.38 1e2k n GLU 95 Cb 0.48 -2.88 0.41 0.00 -0.57 0.00 0.00 31.44 28.88 1e2k n GLU 95 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1e2k h THR 96 N -1.15 1.13 -0.22 2.62 2.02 -1.41 -2.21 112.91 113.70 1e2k h THR 96 Ca -0.61 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 1e2k h THR 96 Cb 1.36 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1e2k h THR 96 CO 0.42 0.32 0.09 0.40 0.37 0.00 0.00 175.52 177.12 1e2k h ILE 97 N 0.00 1.17 -0.92 3.11 2.04 -1.82 -1.37 117.51 119.72 1e2k h ILE 97 Ca -0.00 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1e2k h ILE 97 Cb 0.62 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1e2k h ILE 97 CO 0.04 0.17 0.53 0.00 0.00 0.00 0.00 178.15 178.89 1e2k h ALA 98 N 0.93 1.20 -0.66 1.87 0.00 -1.63 -1.19 119.26 119.78 1e2k h ALA 98 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1e2k h ALA 98 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1e2k h ALA 98 CO -0.01 0.66 0.32 -0.97 0.00 0.00 0.00 179.25 179.26 1e2k h ASN 99 N 1.28 0.86 0.03 0.00 -1.24 -1.20 0.77 115.58 116.07 1e2k h ASN 99 Ca 0.33 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1e2k h ASN 99 Cb -0.02 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.81 1e2k h ASN 99 CO -0.06 0.74 -0.01 0.40 -1.29 0.00 0.00 177.43 177.21 1e2k h ILE 100 N 0.91 1.11 -0.15 2.57 2.04 -0.54 -1.49 117.51 121.97 1e2k h ILE 100 Ca 0.23 -0.42 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 1e2k h ILE 100 Cb 0.11 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1e2k h ILE 100 CO -0.03 0.11 -0.47 1.88 0.00 0.00 0.00 178.15 179.63 1e2k h TYR 101 N -0.22 0.45 -0.56 1.37 -1.99 -1.15 -2.66 116.97 112.22 1e2k h TYR 101 Ca -0.00 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.49 1e2k h TYR 101 Cb 0.20 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1e2k h TYR 101 CO -0.01 0.78 -0.02 1.15 -0.00 0.00 0.00 178.16 180.06 1e2k h THR 102 N 0.30 1.26 -0.41 -2.88 2.02 -0.80 -1.29 112.91 111.12 1e2k h THR 102 Ca 0.02 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1e2k h THR 102 Cb 0.95 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1e2k h THR 102 CO 0.08 0.40 0.24 0.74 0.37 0.00 0.00 175.52 177.35 1e2k h THR 103 N 0.89 1.14 -0.53 3.16 2.02 -1.12 0.18 112.91 118.66 1e2k h THR 103 Ca 0.16 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1e2k h THR 103 Cb 0.54 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1e2k h THR 103 CO 0.03 0.14 0.17 -0.61 0.37 0.00 0.00 175.52 175.62 1e2k h GLN 104 N 0.53 0.81 -0.24 6.66 5.75 -1.36 -0.30 115.11 126.97 1e2k h GLN 104 Ca 0.15 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1e2k h GLN 104 Cb 0.02 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1e2k h GLN 104 CO -0.03 0.75 0.09 1.25 -2.65 0.00 0.00 178.83 178.24 1e2k h HIS 105 N 0.72 0.17 -0.78 3.99 2.76 -0.85 0.36 115.15 121.53 1e2k h HIS 105 Ca 0.17 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1e2k h HIS 105 Cb 0.27 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1e2k h HIS 105 CO 0.01 0.09 0.51 0.00 -1.30 0.00 0.00 177.93 177.24 1e2k h ARG 106 N 0.21 0.91 -0.26 5.26 3.08 -0.35 -1.80 114.38 121.43 1e2k h ARG 106 Ca 0.10 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1e2k h ARG 106 Cb 0.05 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1e2k h ARG 106 CO -0.09 0.60 -0.22 1.25 -1.07 0.00 0.00 179.97 180.44 1e2k h LEU 107 N 0.94 0.64 -1.95 3.04 5.85 -0.20 0.35 115.31 123.98 1e2k h LEU 107 Ca 0.31 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1e2k h LEU 107 Cb 0.07 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1e2k h LEU 107 CO -0.09 0.97 0.02 0.44 -0.34 0.00 0.00 178.44 179.44 1e2k h ASP 108 N 0.33 0.05 0.30 1.25 3.32 0.35 -1.91 116.42 120.11 1e2k h ASP 108 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1e2k h ASP 108 Cb 0.77 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1e2k h ASP 108 CO 0.06 0.04 -0.33 0.00 -1.72 0.00 0.00 179.24 177.29 1e2k n GLN 109 N -4.53 0.63 -0.84 3.56 1.13 -0.74 -4.95 117.38 111.63 1e2k n GLN 109 Ca -0.02 -0.37 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 1e2k n GLN 109 Cb 0.09 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1e2k n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1e2k n GLY 110 N 1.38 0.49 0.08 1.08 0.00 -0.72 -4.95 105.19 102.55 1e2k n GLY 110 Ca 0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1e2k n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1e2k h GLU 111 N 0.23 0.00 -5.05 1.61 5.08 -1.18 -3.46 114.58 111.80 1e2k h GLU 111 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1e2k h GLU 111 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1e2k h GLU 111 CO 0.00 0.90 -0.70 0.96 -1.00 0.00 0.00 179.01 179.16 1e2k s ILE 112 N -2.76 1.12 0.68 3.13 -4.36 -1.20 -5.01 121.20 112.79 1e2k s ILE 112 Ca 0.02 -2.05 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 1e2k s ILE 112 Cb 0.09 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.88 1e2k s ILE 112 CO 0.80 -0.66 1.04 -0.94 0.24 0.00 0.00 174.94 175.43 1e2k s SER 113 N -3.19 5.38 0.22 4.36 1.04 -1.26 -4.57 113.70 115.68 1e2k s SER 113 Ca 0.19 0.94 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 1e2k s SER 113 Cb 0.03 -1.77 0.24 0.00 0.10 0.00 0.00 66.02 64.63 1e2k s SER 113 CO 0.02 -1.32 1.84 0.00 0.98 0.00 0.00 173.24 174.77 1e2k h ALA 114 N -0.54 1.00 -0.61 5.32 0.00 -1.95 -0.80 119.26 121.68 1e2k h ALA 114 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1e2k h ALA 114 Cb 1.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1e2k h ALA 114 CO 0.63 0.22 0.33 0.78 0.00 0.00 0.00 179.25 181.21 1e2k h GLY 115 N 0.88 0.90 1.05 0.00 0.00 -1.93 -0.05 103.07 103.91 1e2k h GLY 115 Ca 0.31 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1e2k h GLY 115 CO -0.14 0.39 0.21 -0.55 0.00 0.00 0.00 176.54 176.45 1e2k h ASP 116 N 0.82 1.04 -0.41 0.19 3.32 -1.76 -2.84 116.42 116.78 1e2k h ASP 116 Ca 0.21 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1e2k h ASP 116 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1e2k h ASP 116 CO -0.03 0.98 0.09 0.00 -1.72 0.00 0.00 179.24 178.55 1e2k h ALA 117 N 1.10 0.54 -0.62 3.45 0.00 -0.72 -3.01 119.26 120.00 1e2k h ALA 117 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1e2k h ALA 117 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1e2k h ALA 117 CO -0.01 0.23 0.31 0.00 0.00 0.00 0.00 179.25 179.78 1e2k h ALA 118 N 0.95 1.38 -0.36 0.00 0.00 -0.95 0.16 119.26 120.45 1e2k h ALA 118 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1e2k h ALA 118 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1e2k h ALA 118 CO 0.00 0.50 0.13 -0.39 0.00 0.00 0.00 179.25 179.49 1e2k h VAL 119 N 0.88 1.20 -0.16 0.00 -1.51 -1.46 -0.23 116.25 114.96 1e2k h VAL 119 Ca 0.22 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1e2k h VAL 119 Cb 0.07 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1e2k h VAL 119 CO -0.03 0.22 0.07 0.58 -1.23 0.00 0.00 177.57 177.18 1e2k h VAL 120 N 0.43 1.14 -0.89 7.19 2.07 -1.30 -1.12 116.25 123.78 1e2k h VAL 120 Ca 0.12 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1e2k h VAL 120 Cb 0.22 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1e2k h VAL 120 CO -0.01 0.14 0.51 0.24 0.02 0.00 0.00 177.57 178.47 1e2k h MET 121 N 0.11 1.22 0.51 1.57 2.86 -0.59 0.18 114.93 120.80 1e2k h MET 121 Ca 0.05 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1e2k h MET 121 Cb 0.15 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.57 1e2k h MET 121 CO -0.01 0.87 -0.25 1.15 1.06 0.00 0.00 176.91 179.74 1e2k h THR 122 N 1.23 0.49 -0.94 2.22 2.02 -0.75 0.57 112.91 117.76 1e2k h THR 122 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1e2k h THR 122 Cb -0.01 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1e2k h THR 122 CO -0.05 0.01 0.59 -1.28 0.37 0.00 0.00 175.52 175.16 1e2k h SER 123 N -0.74 1.10 0.65 4.18 0.87 -0.98 -2.30 113.55 116.34 1e2k h SER 123 Ca -0.07 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 1e2k h SER 123 Cb 0.55 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1e2k h SER 123 CO 0.12 0.83 -0.55 0.00 -0.53 0.00 0.00 176.83 176.69 1e2k h ALA 124 N 1.36 1.01 0.00 6.23 0.00 -0.53 -2.63 119.26 124.71 1e2k h ALA 124 Ca 0.34 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1e2k h ALA 124 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1e2k h ALA 124 CO -0.07 0.69 -0.21 1.96 0.00 0.00 0.00 179.25 181.62 1e2k h GLN 125 N 0.00 0.00 -0.13 0.00 1.08 -0.31 -1.31 115.11 114.44 1e2k h GLN 125 Ca -0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1e2k h GLN 125 Cb 1.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1e2k h GLN 125 CO 0.07 0.21 0.03 0.82 -0.95 0.00 0.00 178.83 179.01 1e2k h ILE 126 N 0.00 1.20 -0.40 2.54 1.08 -1.20 -1.54 117.51 119.18 1e2k h ILE 126 Ca -0.00 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1e2k h ILE 126 Cb 0.73 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1e2k h ILE 126 CO 0.03 0.19 0.20 0.74 -0.69 0.00 0.00 178.15 178.61 1e2k h THR 127 N 0.01 0.98 -0.54 -0.27 2.02 -1.23 -1.81 112.91 112.06 1e2k h THR 127 Ca 0.04 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1e2k h THR 127 Cb 0.26 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1e2k h THR 127 CO 0.00 0.07 0.28 0.24 0.37 0.00 0.00 175.52 176.49 1e2k h MET 128 N 0.41 0.75 0.00 6.66 2.86 -0.95 -2.96 114.93 121.69 1e2k h MET 128 Ca 0.17 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1e2k h MET 128 Cb 0.08 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1e2k h MET 128 CO -0.12 0.56 -0.63 0.41 1.06 0.00 0.00 176.91 178.19 1e2k n GLY 129 N -1.26 -1.32 0.21 8.32 0.00 -0.61 -4.43 105.19 106.11 1e2k n GLY 129 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1e2k n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1e2k h MET 130 N 0.00 0.01 -0.92 1.61 4.05 -1.16 -1.09 114.93 117.43 1e2k h MET 130 Ca 0.00 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1e2k h MET 130 Cb 0.64 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1e2k h MET 130 CO 0.00 0.00 0.60 -1.35 0.23 0.00 0.00 176.91 176.39 1e2k h PRO 131 N 0.01 1.04 -0.36 0.39 0.11 -1.80 0.23 132.00 131.62 1e2k h PRO 131 Ca 0.26 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 1e2k h PRO 131 Cb 0.40 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1e2k h PRO 131 CO -0.56 0.69 -0.26 1.88 -0.21 0.00 0.00 178.00 179.54 1e2k h TYR 132 N 1.07 0.95 -0.31 0.65 0.05 -1.51 -2.23 116.97 115.63 1e2k h TYR 132 Ca 0.39 -0.26 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1e2k h TYR 132 Cb 0.16 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1e2k h TYR 132 CO -0.00 1.03 -0.14 0.00 -1.05 0.00 0.00 178.16 178.00 1e2k h ALA 133 N 0.77 0.44 -0.32 3.88 0.00 -0.89 -1.12 119.26 122.01 1e2k h ALA 133 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1e2k h ALA 133 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1e2k h ALA 133 CO 0.07 0.32 -0.30 -0.24 0.00 0.00 0.00 179.25 179.10 1e2k h VAL 134 N 0.40 1.28 -0.39 0.00 3.04 -0.97 -0.70 116.25 118.91 1e2k h VAL 134 Ca 0.07 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.33 1e2k h VAL 134 Cb 0.66 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 1e2k h VAL 134 CO 0.04 0.46 0.24 0.74 -1.01 0.00 0.00 177.57 178.05 1e2k h THR 135 N 0.58 1.12 -0.69 3.17 2.02 -1.33 -1.97 112.91 115.81 1e2k h THR 135 Ca 0.07 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1e2k h THR 135 Cb 0.81 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1e2k h THR 135 CO 0.07 0.12 0.18 -0.78 0.37 0.00 0.00 175.52 175.48 1e2k h ASP 136 N 0.52 1.03 -0.63 4.18 3.58 -1.00 -0.59 116.42 123.51 1e2k h ASP 136 Ca 0.14 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 1e2k h ASP 136 Cb -0.02 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 1e2k h ASP 136 CO -0.03 0.98 0.12 0.00 -2.88 0.00 0.00 179.24 177.43 1e2k h ALA 137 N 1.15 0.83 0.00 -0.78 0.00 -0.64 -0.98 119.26 118.83 1e2k h ALA 137 Ca 0.22 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1e2k h ALA 137 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1e2k h ALA 137 CO -0.00 0.57 -0.82 -0.39 0.00 0.00 0.00 179.25 178.60 1e2k h VAL 138 N 0.93 1.34 0.00 0.00 -1.51 -1.21 -3.25 116.25 112.55 1e2k h VAL 138 Ca 0.19 -2.91 -0.18 0.00 -1.23 0.00 0.00 66.70 62.57 1e2k h VAL 138 Cb 0.40 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1e2k h VAL 138 CO 0.01 0.76 -0.84 0.25 -1.23 0.00 0.00 177.57 176.52 1e2k h LEU 139 N 0.00 0.05 -0.71 4.19 5.85 -0.89 -3.38 115.31 120.41 1e2k h LEU 139 Ca -0.02 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1e2k h LEU 139 Cb 1.62 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.50 1e2k h LEU 139 CO 0.10 0.87 -0.34 0.00 -0.34 0.00 0.00 178.44 178.73 1e2k h ALA 140 N 1.13 0.06 0.00 1.25 0.00 -1.22 -0.68 119.26 119.80 1e2k h ALA 140 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1e2k h ALA 140 Cb 1.48 0.82 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1e2k h ALA 140 CO 0.11 -0.64 0.00 -1.35 0.00 0.00 0.00 179.25 177.38 1e2k h PRO 141 N -0.11 0.00 0.00 0.00 0.11 -1.77 -2.45 132.00 127.78 1e2k h PRO 141 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1e2k h PRO 141 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1e2k h PRO 141 CO -0.77 0.00 -0.15 0.72 -0.21 0.00 0.00 178.00 177.59 1e2k n HIS 142 N -3.05 0.43 -3.33 0.65 8.25 -0.26 -4.67 115.22 113.23 1e2k n HIS 142 Ca -0.03 0.13 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 1e2k n HIS 142 Cb 0.07 -0.66 -0.07 0.00 1.12 0.00 0.00 29.99 30.45 1e2k n HIS 142 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1e2k s ILE 143 N -3.06 5.15 0.00 1.59 -1.09 -0.92 -1.36 121.20 121.51 1e2k s ILE 143 Ca 0.11 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1e2k s ILE 143 Cb 0.15 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1e2k s ILE 143 CO 0.60 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 1e2k n GLY 144 N 4.06 1.66 3.94 6.18 0.00 0.40 -4.79 105.19 116.65 1e2k n GLY 144 Ca -0.07 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 1e2k n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e2k s GLY 145 N -0.70 1.71 0.60 -0.02 0.00 -1.26 -4.52 107.32 103.13 1e2k s GLY 145 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 1e2k s GLY 145 CO 0.00 -0.56 1.15 1.18 0.00 0.00 0.00 173.10 174.88 1e2k n GLU 146 N -3.14 1.14 -0.00 2.90 1.02 -1.26 -0.54 120.64 120.76 1e2k n GLU 146 Ca 0.11 0.44 0.05 0.00 -0.02 0.00 0.00 57.16 57.73 1e2k n GLU 146 Cb 0.60 -2.36 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 1e2k n GLU 146 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1e2k n ALA 147 N -1.60 2.87 0.00 0.62 0.00 -0.64 -4.62 120.51 117.13 1e2k n ALA 147 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1e2k n ALA 147 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1e2k n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e2k n GLY 148 N 1.52 0.70 0.00 0.00 0.00 -1.24 -5.00 105.19 101.16 1e2k n GLY 148 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1e2k n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e2k n PRO 153 N 0.00 0.00 -1.46 1.61 -0.04 -1.26 -1.76 135.00 132.10 1e2k n PRO 153 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1e2k n PRO 153 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1e2k n PRO 153 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1e2k n PRO 154 N 0.00 0.60 -1.98 0.54 -0.02 -1.26 -4.96 135.00 127.92 1e2k n PRO 154 Ca 0.00 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 1e2k n PRO 154 Cb 0.00 -1.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1e2k n PRO 154 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1e2k s PRO 155 N -1.60 3.21 0.26 0.52 0.02 -1.26 -4.96 135.00 131.19 1e2k s PRO 155 Ca 0.63 1.23 -0.00 0.00 0.02 0.00 0.00 61.00 62.88 1e2k s PRO 155 Cb -0.60 -2.02 0.33 0.00 0.02 0.00 0.00 34.50 32.23 1e2k s PRO 155 CO 0.58 -0.90 1.70 0.00 -0.33 0.00 0.00 177.00 178.05 1e2k h ALA 156 N 0.32 1.03 -3.24 -1.55 0.00 -1.62 -3.44 119.26 110.76 1e2k h ALA 156 Ca -0.47 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 1e2k h ALA 156 Cb 1.22 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 1e2k h ALA 156 CO 0.57 0.58 -0.61 -1.17 0.00 0.00 0.00 179.25 178.62 1e2k s LEU 157 N -8.81 1.79 -0.17 0.00 2.96 -1.14 -4.79 118.68 108.51 1e2k s LEU 157 Ca -0.08 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1e2k s LEU 157 Cb 0.14 0.32 0.02 0.00 0.50 0.00 0.00 46.19 47.17 1e2k s LEU 157 CO 0.81 -0.16 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.59 1e2k s THR 158 N -0.60 2.09 -0.27 3.68 2.01 -0.29 -1.38 115.64 120.88 1e2k s THR 158 Ca -0.07 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1e2k s THR 158 Cb -0.04 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.62 1e2k s THR 158 CO 0.00 0.54 0.01 -0.22 -0.69 0.00 0.00 174.62 174.26 1e2k s LEU 159 N 1.20 3.50 -0.22 4.42 0.20 0.93 -1.60 118.68 127.11 1e2k s LEU 159 Ca 0.03 -0.78 -0.07 0.00 0.69 0.00 0.00 54.13 54.00 1e2k s LEU 159 Cb -0.13 -1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1e2k s LEU 159 CO -0.11 -0.15 0.06 -0.63 -0.29 0.00 0.00 176.35 175.23 1e2k s ILE 160 N 1.41 4.46 0.09 6.68 -1.09 -0.37 -0.80 121.20 131.58 1e2k s ILE 160 Ca 0.01 -0.13 0.07 0.00 -2.23 0.00 0.00 60.65 58.37 1e2k s ILE 160 Cb -0.17 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1e2k s ILE 160 CO -0.01 0.38 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.61 1e2k s PHE 161 N 1.16 2.73 -0.80 3.97 0.40 0.12 0.15 117.98 125.71 1e2k s PHE 161 Ca 0.04 -0.16 -0.19 0.00 -0.60 0.00 0.00 56.93 56.03 1e2k s PHE 161 Cb -0.14 -1.45 0.13 0.00 0.51 0.00 0.00 43.02 42.07 1e2k s PHE 161 CO 0.03 0.41 0.96 0.34 0.70 0.00 0.00 175.22 177.66 1e2k s ASP 162 N -2.08 6.49 0.00 1.36 -1.08 -0.07 -0.07 116.67 121.23 1e2k s ASP 162 Ca 0.20 -1.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 1e2k s ASP 162 Cb -0.11 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1e2k s ASP 162 CO 0.12 -1.05 0.00 0.54 0.52 0.00 0.00 175.17 175.30 1e2k n ARG 163 N 6.26 0.00 -4.27 4.34 1.74 0.18 -4.61 116.66 120.30 1e2k n ARG 163 Ca 0.11 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.95 1e2k n ARG 163 Cb 0.47 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.83 1e2k n ARG 163 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1e2k s HIS 164 N -3.11 2.73 0.42 -1.55 5.65 -1.26 -4.75 115.29 113.41 1e2k s HIS 164 Ca 0.00 -0.20 0.20 0.00 0.25 0.00 0.00 55.06 55.31 1e2k s HIS 164 Cb 0.00 -1.24 1.14 0.00 -1.18 0.00 0.00 32.58 31.30 1e2k s HIS 164 CO 0.00 0.59 1.79 -1.35 -0.65 0.00 0.00 174.74 175.12 1e2k h PRO 165 N 2.14 0.35 0.00 2.88 0.11 -1.95 0.35 132.00 135.87 1e2k h PRO 165 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1e2k h PRO 165 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1e2k h PRO 165 CO 0.59 0.23 0.00 -0.84 -0.21 0.00 0.00 178.00 177.77 1e2k h ILE 166 N 0.36 0.00 -0.71 4.15 3.07 -1.95 -1.75 117.51 120.67 1e2k h ILE 166 Ca 0.56 -0.04 -0.04 0.00 1.55 0.00 0.00 64.86 66.89 1e2k h ILE 166 Cb 1.50 0.81 -0.03 0.00 -0.27 0.00 0.00 36.82 38.83 1e2k h ILE 166 CO -0.24 0.00 0.28 0.00 -1.05 0.00 0.00 178.15 177.14 1e2k h ALA 167 N 2.01 0.92 0.00 0.16 0.00 -1.32 -0.09 119.26 120.95 1e2k h ALA 167 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1e2k h ALA 167 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1e2k h ALA 167 CO 0.00 0.55 -1.16 0.00 0.00 0.00 0.00 179.25 178.64 1e2k n ALA 168 N -2.41 2.58 1.00 0.00 0.00 -0.86 -0.65 120.51 120.19 1e2k n ALA 168 Ca 0.06 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1e2k n ALA 168 Cb 0.18 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1e2k n ALA 168 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1e2k n LEU 169 N -2.60 1.53 0.04 0.00 4.77 -0.72 -4.52 117.00 115.51 1e2k n LEU 169 Ca -0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1e2k n LEU 169 Cb 0.55 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1e2k n LEU 169 CO 0.41 0.32 0.00 -0.11 -1.33 0.00 0.00 177.39 176.68 1e2k n LEU 170 N -0.72 -0.16 -0.02 2.23 7.94 -0.19 -3.28 117.00 122.79 1e2k n LEU 170 Ca 0.07 0.13 -0.13 0.00 -1.11 0.00 0.00 56.01 54.97 1e2k n LEU 170 Cb 0.40 0.25 -0.10 0.00 0.53 0.00 0.00 43.42 44.50 1e2k n LEU 170 CO 0.35 -0.54 0.58 0.00 -1.11 0.00 0.00 177.39 176.68 1e2k h TYR 172 N -0.59 0.78 -0.61 0.00 -1.99 -1.13 0.36 116.97 113.80 1e2k h TYR 172 Ca -0.00 -0.12 0.05 0.00 2.00 0.00 0.00 58.73 60.66 1e2k h TYR 172 Cb 0.58 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 1e2k h TYR 172 CO 0.13 0.76 0.34 -1.35 -0.00 0.00 0.00 178.16 178.04 1e2k h PRO 173 N 0.58 0.63 -0.51 4.88 0.11 -1.77 -0.29 132.00 135.63 1e2k h PRO 173 Ca 0.13 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1e2k h PRO 173 Cb 0.42 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1e2k h PRO 173 CO 0.01 0.42 -0.02 0.00 -0.21 0.00 0.00 178.00 178.20 1e2k h ALA 174 N 1.31 1.02 -0.57 -0.75 0.00 -0.55 0.67 119.26 120.39 1e2k h ALA 174 Ca 0.27 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1e2k h ALA 174 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1e2k h ALA 174 CO -0.16 0.60 -0.08 0.00 0.00 0.00 0.00 179.25 179.61 1e2k h ALA 175 N 1.18 0.78 -0.26 0.00 0.00 -0.26 -0.77 119.26 119.92 1e2k h ALA 175 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1e2k h ALA 175 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1e2k h ALA 175 CO 0.03 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 1e2k h ARG 176 N 0.94 0.45 -0.56 0.00 2.47 -0.50 0.13 114.38 117.31 1e2k h ARG 176 Ca 0.15 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1e2k h ARG 176 Cb 0.65 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.90 1e2k h ARG 176 CO 0.05 0.58 0.32 -0.92 0.56 0.00 0.00 179.97 180.55 1e2k h TYR 177 N 0.41 0.76 0.00 3.04 3.20 -0.32 -0.51 116.97 123.56 1e2k h TYR 177 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1e2k h TYR 177 Cb 0.48 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1e2k h TYR 177 CO 0.01 0.55 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.96 1e2k h LEU 178 N 0.76 0.00 -1.56 2.82 3.38 -0.03 -1.10 115.31 119.58 1e2k h LEU 178 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1e2k h LEU 178 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1e2k h LEU 178 CO -0.03 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.77 1e2k n MET 179 N -3.43 2.00 -1.09 1.13 2.81 -0.08 -4.95 117.12 113.52 1e2k n MET 179 Ca -0.02 -1.53 -0.03 0.00 -1.81 0.00 0.00 57.70 54.30 1e2k n MET 179 Cb 0.18 -1.38 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 1e2k n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e2k n GLY 180 N 1.22 0.57 0.24 3.03 0.00 -0.42 -4.91 105.19 104.93 1e2k n GLY 180 Ca 0.16 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1e2k n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1e2k n SER 181 N -0.02 2.50 -3.78 1.61 3.41 -0.28 -4.83 113.62 112.23 1e2k n SER 181 Ca -0.03 -2.44 -0.13 0.00 -0.26 0.00 0.00 58.87 56.01 1e2k n SER 181 Cb 0.23 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1e2k n SER 181 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1e2k s MET 182 N -1.76 0.32 0.46 4.33 0.00 -1.11 -3.28 119.30 118.25 1e2k s MET 182 Ca 0.18 0.39 -0.21 0.00 0.00 0.00 0.00 55.69 56.05 1e2k s MET 182 Cb 0.14 0.15 -0.09 0.00 0.00 0.00 0.00 34.83 35.03 1e2k s MET 182 CO 0.05 -0.04 1.01 0.95 0.00 0.00 0.00 175.02 176.98 1e2k s THR 183 N 0.19 3.97 0.40 10.11 -4.23 -1.26 -4.29 115.64 120.53 1e2k s THR 183 Ca -0.00 1.26 0.15 0.00 -1.18 0.00 0.00 61.69 61.92 1e2k s THR 183 Cb -0.02 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.44 1e2k s THR 183 CO 0.00 -0.23 1.92 1.55 -0.54 0.00 0.00 174.62 177.32 1e2k h PRO 184 N 1.79 0.00 -0.55 3.99 0.13 -1.97 -2.31 132.00 133.08 1e2k h PRO 184 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1e2k h PRO 184 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1e2k h PRO 184 CO 0.60 0.27 0.06 1.96 -0.23 0.00 0.00 178.00 180.65 1e2k h GLN 185 N 0.00 0.90 -0.36 0.86 7.50 -1.94 -1.88 115.11 120.19 1e2k h GLN 185 Ca -0.00 -0.23 -0.12 0.00 0.50 0.00 0.00 58.65 58.80 1e2k h GLN 185 Cb 0.49 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1e2k h GLN 185 CO 0.03 0.86 -0.26 0.00 -1.50 0.00 0.00 178.83 177.96 1e2k h ALA 186 N 1.21 0.87 -0.74 3.87 0.00 -1.82 -1.38 119.26 121.28 1e2k h ALA 186 Ca 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1e2k h ALA 186 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1e2k h ALA 186 CO 0.01 0.63 0.28 0.28 0.00 0.00 0.00 179.25 180.45 1e2k h VAL 187 N 0.63 1.25 0.00 0.00 2.07 -1.04 -1.72 116.25 117.44 1e2k h VAL 187 Ca 0.08 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1e2k h VAL 187 Cb 0.77 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1e2k h VAL 187 CO 0.06 0.33 -0.28 -0.07 0.02 0.00 0.00 177.57 177.63 1e2k h LEU 188 N 1.08 0.00 -0.44 2.57 3.38 -1.12 -0.90 115.31 119.88 1e2k h LEU 188 Ca 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1e2k h LEU 188 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1e2k h LEU 188 CO -0.02 0.28 -0.12 0.00 0.09 0.00 0.00 178.44 178.68 1e2k h ALA 189 N 1.72 0.61 -0.29 1.53 0.00 -0.57 -0.64 119.26 121.61 1e2k h ALA 189 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1e2k h ALA 189 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1e2k h ALA 189 CO 0.04 0.51 -0.38 0.74 0.00 0.00 0.00 179.25 180.15 1e2k h PHE 190 N 0.69 0.81 -0.67 0.00 0.04 -1.04 -2.84 116.94 113.93 1e2k h PHE 190 Ca 0.11 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1e2k h PHE 190 Cb 0.66 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1e2k h PHE 190 CO 0.05 0.96 0.39 0.28 -0.60 0.00 0.00 178.31 179.39 1e2k h VAL 191 N 0.56 1.20 0.00 -0.55 2.07 -0.95 -1.35 116.25 117.24 1e2k h VAL 191 Ca 0.05 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1e2k h VAL 191 Cb 0.91 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1e2k h VAL 191 CO 0.08 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 1e2k h ALA 192 N 1.20 1.27 -0.12 1.67 0.00 -0.89 -1.40 119.26 120.99 1e2k h ALA 192 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1e2k h ALA 192 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1e2k h ALA 192 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1e2k n LEU 193 N -3.52 2.08 -4.73 0.00 4.77 -0.53 -4.95 117.00 110.13 1e2k n LEU 193 Ca -0.02 -0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1e2k n LEU 193 Cb 0.13 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1e2k n LEU 193 CO 0.26 0.39 1.27 -0.63 -1.33 0.00 0.00 177.39 177.36 1e2k s ILE 194 N -1.86 2.32 0.61 -0.08 1.01 -0.53 -4.93 121.20 117.74 1e2k s ILE 194 Ca 0.34 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.05 1e2k s ILE 194 Cb 0.20 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1e2k s ILE 194 CO 0.30 0.02 1.25 -2.84 0.00 0.00 0.00 174.94 173.67 1e2k s PRO 195 N 0.79 2.85 0.28 2.79 0.02 -1.26 -4.89 135.00 135.57 1e2k s PRO 195 Ca 0.70 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 1e2k s PRO 195 Cb -0.46 -1.93 -0.13 0.00 0.02 0.00 0.00 34.50 31.99 1e2k s PRO 195 CO 0.35 -1.33 1.26 -2.30 -0.33 0.00 0.00 177.00 174.64 1e2k n PRO 196 N -1.64 1.83 -2.48 5.54 -0.02 -1.26 -4.87 135.00 132.10 1e2k n PRO 196 Ca 0.14 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1e2k n PRO 196 Cb 0.49 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1e2k n PRO 196 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1e2k s THR 197 N -0.64 4.31 0.56 3.45 2.01 -1.26 -5.01 115.64 119.05 1e2k s THR 197 Ca 0.62 1.54 -0.03 0.00 0.31 0.00 0.00 61.69 64.13 1e2k s THR 197 Cb -0.65 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 67.74 1e2k s THR 197 CO 0.56 -0.30 0.84 -0.76 -0.69 0.00 0.00 174.62 174.27 1e2k s LEU 198 N 3.79 3.29 0.73 4.42 2.01 -1.26 -5.03 118.68 126.62 1e2k s LEU 198 Ca 0.53 0.45 -0.16 0.00 0.01 0.00 0.00 54.13 54.96 1e2k s LEU 198 Cb -0.18 -3.28 0.02 0.00 0.01 0.00 0.00 46.19 42.76 1e2k s LEU 198 CO 0.17 -1.06 1.05 -2.65 1.01 0.00 0.00 176.35 174.87 1e2k n PRO 199 N -2.47 0.52 -2.19 1.29 -0.02 -1.26 -3.23 135.00 127.64 1e2k n PRO 199 Ca 0.05 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1e2k n PRO 199 Cb 0.58 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1e2k n PRO 199 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e2k n GLY 200 N 0.97 -0.07 3.44 -1.23 0.00 -1.26 -4.90 105.19 102.13 1e2k n GLY 200 Ca 0.13 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 1e2k n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e2k s THR 201 N -2.61 4.66 -0.27 2.61 2.01 -1.20 -4.42 115.64 116.42 1e2k s THR 201 Ca 0.00 -1.18 -0.16 0.00 0.31 0.00 0.00 61.69 60.66 1e2k s THR 201 Cb 0.00 -4.70 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 1e2k s THR 201 CO 0.00 -1.43 0.42 0.20 -0.69 0.00 0.00 174.62 173.13 1e2k s ASN 202 N 3.59 6.31 -0.16 3.53 0.01 -1.25 -0.98 114.94 126.00 1e2k s ASN 202 Ca 0.26 0.34 0.02 0.00 -0.71 0.00 0.00 52.86 52.77 1e2k s ASN 202 Cb -0.11 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.33 1e2k s ASN 202 CO -0.02 -0.23 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.51 1e2k s ILE 203 N 2.16 2.14 -0.28 0.60 1.01 0.17 -1.09 121.20 125.92 1e2k s ILE 203 Ca 0.17 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 1e2k s ILE 203 Cb -0.16 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1e2k s ILE 203 CO 0.10 0.54 0.39 -0.69 0.00 0.00 0.00 174.94 175.28 1e2k s VAL 204 N 0.99 5.16 0.24 2.92 1.01 0.48 -1.48 120.40 129.73 1e2k s VAL 204 Ca -0.02 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1e2k s VAL 204 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1e2k s VAL 204 CO -0.06 0.12 0.05 -0.76 0.00 0.00 0.00 175.10 174.45 1e2k s LEU 205 N 2.10 3.38 0.33 3.92 1.43 0.39 -0.66 118.68 129.56 1e2k s LEU 205 Ca 0.15 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1e2k s LEU 205 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1e2k s LEU 205 CO 0.10 0.01 0.28 -0.83 0.23 0.00 0.00 176.35 176.14 1e2k s GLY 206 N -3.57 1.73 -0.06 -3.19 0.00 -1.26 -0.63 107.32 100.35 1e2k s GLY 206 Ca 0.31 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1e2k s GLY 206 CO 0.21 -1.56 -0.11 0.00 0.00 0.00 0.00 173.10 171.64 1e2k s ALA 207 N -2.29 1.13 -0.28 3.20 0.00 -0.37 -4.87 121.76 118.29 1e2k s ALA 207 Ca 0.40 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1e2k s ALA 207 Cb -0.06 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.65 1e2k s ALA 207 CO 0.26 0.09 0.88 -1.17 0.00 0.00 0.00 175.76 175.83 1e2k s LEU 208 N 0.70 -0.65 0.57 0.00 2.96 -1.26 -0.33 118.68 120.68 1e2k s LEU 208 Ca -0.14 1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 54.64 1e2k s LEU 208 Cb -0.15 2.01 -0.04 0.00 0.50 0.00 0.00 46.19 48.50 1e2k s LEU 208 CO 0.03 -0.17 1.30 -2.65 -1.32 0.00 0.00 176.35 173.54 1e2k n PRO 209 N 3.58 1.49 -0.20 0.98 -0.02 -1.26 -4.77 135.00 134.80 1e2k n PRO 209 Ca -0.18 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1e2k n PRO 209 Cb 0.58 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1e2k n PRO 209 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1e2k h GLU 210 N 1.15 0.50 -0.36 -0.52 4.81 -2.01 -0.81 114.58 117.34 1e2k h GLU 210 Ca -0.50 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1e2k h GLU 210 Cb 1.32 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1e2k h GLU 210 CO 0.56 0.33 0.14 -0.44 -0.73 0.00 0.00 179.01 178.86 1e2k h ASP 211 N 0.52 0.51 -0.95 1.04 5.19 -2.00 0.10 116.42 120.82 1e2k h ASP 211 Ca 0.27 -0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1e2k h ASP 211 Cb 0.24 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 1e2k h ASP 211 CO -0.22 0.55 0.63 0.03 -3.12 0.00 0.00 179.24 177.11 1e2k h ARG 212 N 0.44 1.21 -0.70 3.56 2.47 -1.88 -1.71 114.38 117.76 1e2k h ARG 212 Ca 0.12 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1e2k h ARG 212 Cb 0.20 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1e2k h ARG 212 CO -0.01 0.80 0.19 1.25 0.56 0.00 0.00 179.97 182.77 1e2k h HIS 213 N 1.25 1.14 -0.45 3.04 2.76 -0.64 -0.98 115.15 121.27 1e2k h HIS 213 Ca 0.36 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1e2k h HIS 213 Cb -0.07 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.54 1e2k h HIS 213 CO -0.00 0.92 0.26 0.82 -1.30 0.00 0.00 177.93 178.62 1e2k h ILE 214 N 1.05 1.16 -0.25 6.26 2.04 -0.29 0.19 117.51 127.67 1e2k h ILE 214 Ca 0.22 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1e2k h ILE 214 Cb 0.33 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1e2k h ILE 214 CO -0.00 0.16 0.00 0.44 0.00 0.00 0.00 178.15 178.75 1e2k h ASP 215 N 0.60 -0.10 -0.11 1.72 3.32 -0.92 -1.73 116.42 119.21 1e2k h ASP 215 Ca 0.16 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1e2k h ASP 215 Cb 0.04 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1e2k h ASP 215 CO -0.03 -0.02 -0.20 0.03 -1.72 0.00 0.00 179.24 177.31 1e2k h ARG 216 N 0.08 0.52 -0.89 3.56 3.08 -0.93 -2.87 114.38 116.93 1e2k h ARG 216 Ca 0.12 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1e2k h ARG 216 Cb 0.15 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1e2k h ARG 216 CO -0.20 0.69 0.56 1.25 -1.07 0.00 0.00 179.97 181.20 1e2k h LEU 217 N 0.47 1.05 -1.59 3.04 5.85 -0.27 -1.09 115.31 122.76 1e2k h LEU 217 Ca 0.08 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1e2k h LEU 217 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1e2k h LEU 217 CO 0.04 0.78 -0.08 0.00 -0.34 0.00 0.00 178.44 178.85 1e2k h ALA 218 N 1.30 1.67 0.03 1.25 0.00 -1.09 -2.60 119.26 119.83 1e2k h ALA 218 Ca 0.32 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1e2k h ALA 218 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1e2k h ALA 218 CO -0.06 0.25 -1.30 0.87 0.00 0.00 0.00 179.25 179.00 1e2k h LYS 219 N 0.16 0.07 -0.79 0.00 6.56 -1.41 -3.36 116.57 117.81 1e2k h LYS 219 Ca 0.04 -0.12 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 1e2k h LYS 219 Cb 0.25 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1e2k h LYS 219 CO 0.01 0.92 0.02 0.54 -2.06 0.00 0.00 179.45 178.88 1e2k n ARG 220 N -3.31 3.05 -1.66 3.15 5.12 -0.46 -4.97 116.66 117.58 1e2k n ARG 220 Ca -0.08 -1.72 -0.44 0.00 -1.93 0.00 0.00 57.85 53.68 1e2k n ARG 220 Cb 1.00 -1.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.36 1e2k n ARG 220 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1e2k n GLN 221 N 0.29 2.65 -2.02 5.56 1.13 -1.16 -4.84 117.38 118.99 1e2k n GLN 221 Ca 0.16 0.96 -0.28 0.00 -1.94 0.00 0.00 57.00 55.90 1e2k n GLN 221 Cb 0.80 -2.94 0.11 0.00 0.11 0.00 0.00 30.24 28.32 1e2k n GLN 221 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1e2k s ARG 222 N 4.51 1.71 -0.14 -1.09 1.81 -1.26 -4.92 118.95 119.58 1e2k s ARG 222 Ca 0.91 -0.16 -0.29 0.00 -1.72 0.00 0.00 55.73 54.47 1e2k s ARG 222 Cb -0.49 -2.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.96 1e2k s ARG 222 CO 0.44 -1.68 1.86 -2.14 -0.68 0.00 0.00 175.30 173.10 1e2k s PRO 223 N -5.54 3.75 0.00 3.54 0.02 -1.26 -1.14 135.00 134.36 1e2k s PRO 223 Ca 0.64 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1e2k s PRO 223 Cb -0.09 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1e2k s PRO 223 CO 0.49 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 1e2k n GLY 224 N 4.86 0.95 3.79 0.52 0.00 -1.26 -3.99 105.19 110.06 1e2k n GLY 224 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1e2k n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1e2k s GLU 225 N -0.92 3.93 -0.10 1.61 2.12 -0.29 -3.99 118.70 121.06 1e2k s GLU 225 Ca 0.00 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.82 1e2k s GLU 225 Cb 0.00 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 1e2k s GLU 225 CO 0.00 -0.34 -0.13 1.03 -0.54 0.00 0.00 175.26 175.28 1e2k s ARG 226 N -2.86 3.04 -0.27 4.30 0.52 -1.26 -4.86 118.95 117.56 1e2k s ARG 226 Ca 0.63 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1e2k s ARG 226 Cb -0.20 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1e2k s ARG 226 CO 0.25 0.39 1.75 -1.17 0.02 0.00 0.00 175.30 176.54 1e2k s LEU 227 N -0.11 3.67 -0.22 2.53 2.96 -1.26 -4.93 118.68 121.32 1e2k s LEU 227 Ca -0.01 1.49 -0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1e2k s LEU 227 Cb -0.14 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.09 1e2k s LEU 227 CO 0.03 -1.53 -0.02 -0.62 -1.32 0.00 0.00 176.35 172.90 1e2k s ASP 228 N 5.41 3.55 0.39 3.68 -1.08 -1.26 -4.97 116.67 122.39 1e2k s ASP 228 Ca 0.78 -1.07 0.21 0.00 -0.52 0.00 0.00 52.55 51.95 1e2k s ASP 228 Cb -0.24 -0.99 0.56 0.00 -1.46 0.00 0.00 42.92 40.79 1e2k s ASP 228 CO 0.32 -0.26 1.67 -0.07 0.52 0.00 0.00 175.17 177.35 1e2k h LEU 229 N 8.05 0.00 -0.28 -1.34 4.07 -1.99 -1.39 115.31 122.44 1e2k h LEU 229 Ca -0.17 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.60 1e2k h LEU 229 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1e2k h LEU 229 CO 0.39 0.27 -0.56 0.00 -1.08 0.00 0.00 178.44 177.46 1e2k h ALA 230 N 1.73 0.44 -0.14 1.53 0.00 -1.99 -0.78 119.26 120.05 1e2k h ALA 230 Ca -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1e2k h ALA 230 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1e2k h ALA 230 CO 0.04 0.67 -0.55 1.98 0.00 0.00 0.00 179.25 181.38 1e2k h MET 231 N 0.65 0.41 -0.46 0.00 1.85 -1.94 -0.87 114.93 114.57 1e2k h MET 231 Ca 0.01 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1e2k h MET 231 Cb 1.18 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 1e2k h MET 231 CO 0.13 0.86 0.29 1.25 -0.40 0.00 0.00 176.91 179.03 1e2k h LEU 232 N 0.32 0.55 -0.21 3.39 5.85 -1.09 0.79 115.31 124.89 1e2k h LEU 232 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1e2k h LEU 232 Cb 1.07 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1e2k h LEU 232 CO 0.10 0.42 0.13 0.00 -0.34 0.00 0.00 178.44 178.75 1e2k h ALA 233 N 1.15 0.27 -0.29 1.25 0.00 -0.87 -1.10 119.26 119.67 1e2k h ALA 233 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1e2k h ALA 233 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1e2k h ALA 233 CO -0.03 -0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.08 1e2k h ALA 234 N 1.09 0.34 -0.06 0.00 0.00 -0.82 0.09 119.26 119.89 1e2k h ALA 234 Ca 0.08 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1e2k h ALA 234 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1e2k h ALA 234 CO -0.03 -0.26 -0.50 0.97 0.00 0.00 0.00 179.25 179.43 1e2k h ILE 235 N 0.28 1.35 -0.53 0.00 6.09 -0.75 0.33 117.51 124.28 1e2k h ILE 235 Ca 0.12 -1.73 -0.10 0.00 -1.37 0.00 0.00 64.86 61.78 1e2k h ILE 235 Cb 0.05 1.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1e2k h ILE 235 CO -0.10 0.51 -0.07 0.03 -3.07 0.00 0.00 178.15 175.46 1e2k h ARG 236 N 0.13 0.98 -0.30 2.19 3.08 -1.03 -1.28 114.38 118.15 1e2k h ARG 236 Ca 0.00 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1e2k h ARG 236 Cb 0.93 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1e2k h ARG 236 CO 0.07 1.02 0.09 -0.09 -1.07 0.00 0.00 179.97 179.99 1e2k h ARG 237 N 0.85 0.47 -0.27 0.04 2.43 -0.62 -1.28 114.38 115.99 1e2k h ARG 237 Ca 0.14 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1e2k h ARG 237 Cb 0.62 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1e2k h ARG 237 CO 0.04 0.52 0.17 0.28 -1.51 0.00 0.00 179.97 179.47 1e2k h VAL 238 N 0.33 1.09 -0.07 0.20 2.07 -0.82 -0.21 116.25 118.84 1e2k h VAL 238 Ca 0.10 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1e2k h VAL 238 Cb 0.25 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1e2k h VAL 238 CO -0.00 0.09 -0.25 1.88 0.02 0.00 0.00 177.57 179.31 1e2k h TYR 239 N 0.35 0.13 -0.34 1.57 0.05 -1.10 0.14 116.97 117.77 1e2k h TYR 239 Ca 0.10 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 1e2k h TYR 239 Cb -0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1e2k h TYR 239 CO -0.05 0.37 -0.17 0.78 -1.05 0.00 0.00 178.16 178.03 1e2k h GLY 240 N 0.87 0.78 1.02 3.88 0.00 -0.82 -1.75 103.07 107.05 1e2k h GLY 240 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1e2k h GLY 240 CO 0.04 0.64 0.47 1.41 0.00 0.00 0.00 176.54 179.10 1e2k h LEU 241 N 0.50 1.01 -0.14 3.11 3.38 -0.64 -2.03 115.31 120.50 1e2k h LEU 241 Ca 0.08 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1e2k h LEU 241 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1e2k h LEU 241 CO 0.05 0.80 -0.00 0.25 0.09 0.00 0.00 178.44 179.63 1e2k h LEU 242 N 1.14 -0.06 -0.66 1.67 5.85 -0.48 0.35 115.31 123.13 1e2k h LEU 242 Ca 0.29 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1e2k h LEU 242 Cb 0.00 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1e2k h LEU 242 CO -0.05 -0.01 0.42 0.00 -0.34 0.00 0.00 178.44 178.46 1e2k h ALA 243 N 1.12 0.83 -0.67 1.25 0.00 -1.07 -1.21 119.26 119.51 1e2k h ALA 243 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1e2k h ALA 243 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1e2k h ALA 243 CO -0.11 0.28 0.18 -0.91 0.00 0.00 0.00 179.25 178.69 1e2k h ASN 244 N 0.89 0.99 -0.33 0.00 2.35 -0.98 -2.49 115.58 116.00 1e2k h ASN 244 Ca 0.24 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1e2k h ASN 244 Cb -0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1e2k h ASN 244 CO -0.05 0.94 0.19 0.74 -1.65 0.00 0.00 177.43 177.60 1e2k h THR 245 N 1.00 1.13 -0.72 2.81 2.02 0.48 0.17 112.91 119.81 1e2k h THR 245 Ca 0.21 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1e2k h THR 245 Cb 0.33 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1e2k h THR 245 CO -0.00 0.13 0.43 0.58 0.37 0.00 0.00 175.52 177.03 1e2k h VAL 246 N 0.42 1.02 -0.12 3.16 2.07 -1.02 -1.25 116.25 120.53 1e2k h VAL 246 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1e2k h VAL 246 Cb 0.05 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1e2k h VAL 246 CO -0.02 0.15 0.04 0.03 0.02 0.00 0.00 177.57 177.79 1e2k h ARG 247 N 0.80 0.18 -0.46 1.57 3.08 -1.10 0.66 114.38 119.11 1e2k h ARG 247 Ca 0.31 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.42 1e2k h ARG 247 Cb 0.14 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.06 1e2k h ARG 247 CO -0.16 0.32 -0.27 -0.92 -1.07 0.00 0.00 179.97 177.87 1e2k h TYR 248 N 0.01 -0.72 -0.60 3.04 3.20 -0.45 -0.12 116.97 121.34 1e2k h TYR 248 Ca 0.04 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1e2k h TYR 248 Cb 0.21 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1e2k h TYR 248 CO -0.01 -0.34 0.03 -0.07 -1.64 0.00 0.00 178.16 176.13 1e2k h LEU 249 N -0.17 1.02 -1.51 2.82 3.38 -1.02 0.39 115.31 120.21 1e2k h LEU 249 Ca 0.21 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1e2k h LEU 249 Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1e2k h LEU 249 CO -0.56 1.06 -0.23 1.56 0.09 0.00 0.00 178.44 180.36 1e2k h GLN 250 N 0.94 0.02 -0.66 1.13 4.20 -0.32 -1.85 115.11 118.57 1e2k h GLN 250 Ca 0.17 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1e2k h GLN 250 Cb 0.52 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1e2k h GLN 250 CO 0.03 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.43 1e2k n GLY 252 N 0.57 0.49 3.75 0.00 0.00 -0.69 -4.81 105.19 104.50 1e2k n GLY 252 Ca 0.14 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1e2k n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e2k s GLY 253 N -2.79 2.42 -0.34 -0.02 0.00 0.11 -4.99 107.32 101.71 1e2k s GLY 253 Ca 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 1e2k s GLY 253 CO 0.00 2.26 0.07 -0.45 0.00 0.00 0.00 173.10 174.98 1e2k s SER 254 N 0.24 4.98 0.32 1.64 0.15 -1.26 -4.63 113.70 115.14 1e2k s SER 254 Ca 0.58 -1.66 0.05 0.00 0.70 0.00 0.00 55.95 55.62 1e2k s SER 254 Cb -0.42 -1.73 0.69 0.00 -1.71 0.00 0.00 66.02 62.84 1e2k s SER 254 CO 0.46 -0.37 1.87 4.11 1.20 0.00 0.00 173.24 180.50 1e2k h TRP 255 N 7.95 0.96 -0.35 3.44 5.08 -1.97 -1.66 115.95 129.41 1e2k h TRP 255 Ca -0.16 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.79 1e2k h TRP 255 Cb 1.05 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 26.89 1e2k h TRP 255 CO 0.57 0.39 0.01 0.00 -1.28 0.00 0.00 178.44 178.13 1e2k h ARG 256 N 0.84 0.53 0.00 0.12 3.08 -2.00 0.33 114.38 117.29 1e2k h ARG 256 Ca 0.45 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 60.19 1e2k h ARG 256 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1e2k h ARG 256 CO -0.22 0.56 -0.89 1.49 -1.07 0.00 0.00 179.97 179.84 1e2k h GLU 257 N 0.51 0.27 -0.01 0.04 4.81 -1.79 -3.29 114.58 115.11 1e2k h GLU 257 Ca 0.11 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1e2k h GLU 257 Cb 0.32 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1e2k h GLU 257 CO 0.01 1.00 -0.37 -0.25 -0.73 0.00 0.00 179.01 178.67 1e2k n ASP 258 N -3.69 1.44 -0.36 1.04 8.00 -0.70 -4.51 116.55 117.78 1e2k n ASP 258 Ca -0.05 -1.15 0.10 0.00 0.71 0.00 0.00 54.79 54.40 1e2k n ASP 258 Cb 0.81 0.30 0.28 0.00 -0.02 0.00 0.00 41.12 42.48 1e2k n ASP 258 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1e2k h TRP 259 N 1.69 1.11 -0.11 1.24 2.91 -1.01 -0.02 115.95 121.75 1e2k h TRP 259 Ca 0.00 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.08 1e2k h TRP 259 Cb 0.61 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1e2k h TRP 259 CO 0.00 0.35 0.08 0.78 -1.03 0.00 0.00 178.44 178.62 1e2k h GLY 260 N 0.89 0.04 1.99 2.65 0.00 -1.83 -1.07 103.07 105.73 1e2k h GLY 260 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1e2k h GLY 260 CO -0.32 0.01 0.01 1.46 0.00 0.00 0.00 176.54 177.70 1e2k h GLN 261 N 0.04 0.00 0.00 4.80 4.20 -1.24 2.53 115.11 125.43 1e2k h GLN 261 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1e2k h GLN 261 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1e2k h GLN 261 CO -0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 1e2k h LEU 262 N 0.00 0.00 0.00 1.46 3.38 -1.30 -3.37 115.31 115.47 1e2k h LEU 262 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1e2k h LEU 262 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1e2k h LEU 262 CO -0.00 0.00 -0.39 -1.20 0.09 0.00 0.00 178.44 176.94 1e2k n SER 263 N -2.42 1.72 -3.03 -0.43 7.64 0.16 -4.85 113.62 112.41 1e2k n SER 263 Ca 0.05 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.53 1e2k n SER 263 Cb 0.42 0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1e2k n SER 263 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e2k n GLY 264 N 1.98 5.60 7.00 0.23 0.00 0.83 -5.11 105.19 115.71 1e2k n GLY 264 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1e2k n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1e2k n THR 265 N -0.43 0.00 -3.06 2.61 -2.24 -1.25 -4.69 114.28 105.22 1e2k n THR 265 Ca 0.53 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 62.13 1e2k n THR 265 Cb 0.24 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1e2k n THR 265 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e2k n GLY 279 N 0.00 -0.51 3.59 3.38 0.00 -1.26 -4.60 105.19 105.78 1e2k n GLY 279 Ca 0.00 0.47 -0.58 0.00 0.00 0.00 0.00 46.02 45.91 1e2k n GLY 279 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1e2k n PRO 280 N -1.28 0.43 -3.63 1.61 -0.02 -1.26 -4.90 135.00 125.95 1e2k n PRO 280 Ca -0.15 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1e2k n PRO 280 Cb 0.42 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1e2k n PRO 280 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1e2k s ARG 281 N 0.99 1.25 0.75 -0.52 1.70 -1.26 -4.92 118.95 116.93 1e2k s ARG 281 Ca 0.92 -0.72 -0.16 0.00 -0.47 0.00 0.00 55.73 55.30 1e2k s ARG 281 Cb -1.20 0.52 -0.00 0.00 -0.57 0.00 0.00 34.95 33.69 1e2k s ARG 281 CO 0.59 -0.52 0.79 -2.30 -1.08 0.00 0.00 175.30 172.78 1e2k n PRO 282 N -0.31 0.34 -2.12 3.89 -0.02 -1.26 -4.96 135.00 130.55 1e2k n PRO 282 Ca -0.14 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.17 1e2k n PRO 282 Cb 0.63 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 32.05 1e2k n PRO 282 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1e2k s HIS 283 N -1.92 2.78 0.48 6.00 2.46 -1.26 -4.91 115.29 118.92 1e2k s HIS 283 Ca 0.69 1.54 0.18 0.00 0.47 0.00 0.00 55.06 57.95 1e2k s HIS 283 Cb -0.33 -3.16 1.24 0.00 -0.13 0.00 0.00 32.58 30.20 1e2k s HIS 283 CO 0.54 -1.39 2.08 0.97 -2.47 0.00 0.00 174.74 174.48 1e2k h ILE 284 N 0.77 0.95 0.00 0.89 2.10 -1.93 -1.03 117.51 119.27 1e2k h ILE 284 Ca -0.48 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.11 1e2k h ILE 284 Cb 1.24 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 1e2k h ILE 284 CO 0.57 0.09 0.00 0.61 -1.08 0.00 0.00 178.15 178.34 1e2k n GLY 285 N -1.18 -1.17 1.81 8.18 0.00 -1.26 -1.41 105.19 110.17 1e2k n GLY 285 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1e2k n GLY 285 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e2k n ASP 286 N -2.19 4.70 -4.45 1.61 8.00 -0.39 -4.77 116.55 119.05 1e2k n ASP 286 Ca 0.01 -3.21 -0.24 0.00 0.71 0.00 0.00 54.79 52.07 1e2k n ASP 286 Cb 0.18 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1e2k n ASP 286 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1e2k s THR 287 N -2.97 1.23 0.61 -3.53 -4.23 -0.50 -4.57 115.64 101.68 1e2k s THR 287 Ca 0.53 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.42 1e2k s THR 287 Cb 0.43 -2.71 0.41 0.00 1.34 0.00 0.00 72.50 71.96 1e2k s THR 287 CO 0.12 0.00 2.31 -0.07 -0.54 0.00 0.00 174.62 176.44 1e2k h LEU 288 N 1.95 0.00 -2.10 4.79 3.38 -1.83 -2.31 115.31 119.18 1e2k h LEU 288 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1e2k h LEU 288 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1e2k h LEU 288 CO 0.70 0.01 -0.03 -0.26 0.09 0.00 0.00 178.44 178.94 1e2k h PHE 289 N 0.00 0.00 0.00 1.13 0.04 -1.95 -1.96 116.94 114.20 1e2k h PHE 289 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1e2k h PHE 289 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1e2k h PHE 289 CO 0.00 0.03 -0.09 0.00 -0.60 0.00 0.00 178.31 177.65 1e2k h THR 290 N 0.00 0.78 0.00 -1.55 1.03 -1.54 -1.22 112.91 110.42 1e2k h THR 290 Ca -0.00 -0.36 -0.02 0.00 -0.01 0.00 0.00 66.41 66.02 1e2k h THR 290 Cb 0.06 1.21 -0.00 0.00 -1.07 0.00 0.00 68.15 68.34 1e2k h THR 290 CO 0.00 0.09 -0.10 -0.07 -0.01 0.00 0.00 175.52 175.44 1e2k h LEU 291 N 0.00 0.00 -1.90 0.00 3.38 -1.55 -2.91 115.31 112.34 1e2k h LEU 291 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1e2k h LEU 291 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1e2k h LEU 291 CO 0.01 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.13 1e2k n PHE 292 N -3.32 0.78 0.39 1.13 3.72 -0.46 -3.60 117.46 116.11 1e2k n PHE 292 Ca -0.01 -0.34 0.04 0.00 -0.05 0.00 0.00 57.45 57.09 1e2k n PHE 292 Cb 0.30 -0.10 0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1e2k n PHE 292 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1e2k n ARG 293 N 0.69 2.45 -1.72 -1.08 0.63 -1.10 -4.88 116.66 111.64 1e2k n ARG 293 Ca 0.15 -1.33 -0.42 0.00 -0.92 0.00 0.00 57.85 55.34 1e2k n ARG 293 Cb 0.50 -1.68 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 1e2k n ARG 293 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e2k n ALA 294 N 0.32 2.57 0.09 5.13 0.00 -1.24 -4.89 120.51 122.49 1e2k n ALA 294 Ca 0.12 0.39 0.15 0.00 0.00 0.00 0.00 53.44 54.11 1e2k n ALA 294 Cb 0.56 -2.48 0.66 0.00 0.00 0.00 0.00 19.45 18.19 1e2k n ALA 294 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1e2k h PRO 295 N 5.85 0.02 0.00 0.00 0.13 -1.95 -0.48 132.00 135.57 1e2k h PRO 295 Ca -0.45 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1e2k h PRO 295 Cb 1.22 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1e2k h PRO 295 CO 0.88 0.01 -0.02 0.93 -0.23 0.00 0.00 178.00 179.57 1e2k h GLU 296 N 0.02 0.00 -0.02 0.86 3.07 -1.97 -2.40 114.58 114.13 1e2k h GLU 296 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1e2k h GLU 296 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1e2k h GLU 296 CO -0.00 0.02 -0.10 1.28 -1.40 0.00 0.00 179.01 178.81 1e2k n LEU 297 N -3.40 2.07 -4.66 1.33 4.77 -0.19 -4.96 117.00 111.95 1e2k n LEU 297 Ca -0.02 -0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 54.95 1e2k n LEU 297 Cb 0.13 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1e2k n LEU 297 CO 0.25 0.35 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.56 1e2k s LEU 298 N -2.13 3.42 0.97 2.23 1.43 -0.91 -1.99 118.68 121.70 1e2k s LEU 298 Ca 0.30 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 1e2k s LEU 298 Cb 0.20 -1.99 0.18 0.00 0.03 0.00 0.00 46.19 44.60 1e2k s LEU 298 CO 0.38 0.26 1.20 0.00 0.23 0.00 0.00 176.35 178.42 1e2k s ALA 299 N -1.10 1.83 0.56 4.21 0.00 0.69 -4.86 121.76 123.09 1e2k s ALA 299 Ca 0.20 -0.84 0.26 0.00 0.00 0.00 0.00 51.96 51.58 1e2k s ALA 299 Cb -0.11 -2.91 1.49 0.00 0.00 0.00 0.00 23.12 21.59 1e2k s ALA 299 CO 0.11 -2.49 2.05 -1.35 0.00 0.00 0.00 175.76 174.09 1e2k h PRO 300 N -1.68 0.00 -0.08 0.00 0.11 -1.97 0.19 132.00 128.57 1e2k h PRO 300 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1e2k h PRO 300 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1e2k h PRO 300 CO 0.50 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 1e2k n ASN 301 N -4.11 1.28 0.00 -2.05 0.23 -1.26 -4.92 115.26 104.43 1e2k n ASN 301 Ca 0.04 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1e2k n ASN 301 Cb 0.42 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1e2k n ASN 301 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1e2k n GLY 302 N 1.10 1.05 3.79 4.83 0.00 0.67 -5.04 105.19 111.58 1e2k n GLY 302 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1e2k n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e2k s ASP 303 N -2.70 6.51 0.26 1.61 1.01 -1.26 -4.66 116.67 117.45 1e2k s ASP 303 Ca 0.00 2.03 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 1e2k s ASP 303 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1e2k s ASP 303 CO 0.00 -0.66 1.06 -0.22 0.21 0.00 0.00 175.17 175.55 1e2k s LEU 304 N -3.01 4.58 0.51 1.23 2.96 -1.26 -0.22 118.68 123.46 1e2k s LEU 304 Ca 0.62 2.18 -0.23 0.00 -0.22 0.00 0.00 54.13 56.48 1e2k s LEU 304 Cb -0.21 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.80 1e2k s LEU 304 CO 0.26 -0.06 1.31 -0.31 -1.32 0.00 0.00 176.35 176.23 1e2k s TYR 305 N -1.12 2.48 0.39 5.38 2.02 -0.84 -4.82 117.35 120.84 1e2k s TYR 305 Ca 0.44 1.41 0.07 0.00 -0.37 0.00 0.00 57.07 58.62 1e2k s TYR 305 Cb -0.30 -3.70 0.81 0.00 -0.40 0.00 0.00 41.96 38.36 1e2k s TYR 305 CO 0.38 -2.50 1.99 -0.91 -1.57 0.00 0.00 175.55 172.94 1e2k h ASN 306 N 1.78 0.40 -0.86 2.29 2.35 -1.93 -1.56 115.58 118.04 1e2k h ASN 306 Ca -0.50 -0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.26 1e2k h ASN 306 Cb 1.28 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 1e2k h ASN 306 CO 0.59 0.38 0.56 1.62 -1.65 0.00 0.00 177.43 178.93 1e2k h VAL 307 N 0.44 1.08 0.06 2.81 3.04 -1.98 0.23 116.25 121.93 1e2k h VAL 307 Ca 0.11 -0.34 -0.24 0.00 -1.01 0.00 0.00 66.70 65.22 1e2k h VAL 307 Cb 0.12 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.39 1e2k h VAL 307 CO -0.01 0.18 -1.10 -0.26 -1.01 0.00 0.00 177.57 175.38 1e2k h PHE 308 N 0.99 0.26 -0.76 3.17 0.04 -1.69 -2.73 116.94 116.22 1e2k h PHE 308 Ca 0.36 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 1e2k h PHE 308 Cb 0.16 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1e2k h PHE 308 CO -0.00 1.13 0.38 0.00 -0.60 0.00 0.00 178.31 179.22 1e2k h ALA 309 N 0.81 0.98 -0.58 2.45 0.00 -0.59 -0.83 119.26 121.50 1e2k h ALA 309 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1e2k h ALA 309 Cb 1.83 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1e2k h ALA 309 CO 0.16 0.53 0.33 -1.49 0.00 0.00 0.00 179.25 178.78 1e2k h TRP 310 N 1.07 0.79 -0.71 0.00 6.55 -0.55 -0.32 115.95 122.78 1e2k h TRP 310 Ca 0.26 -0.02 0.02 0.00 0.95 0.00 0.00 58.89 60.11 1e2k h TRP 310 Cb 0.09 -0.26 -0.04 0.00 -0.86 0.00 0.00 29.16 28.10 1e2k h TRP 310 CO 0.01 0.57 0.47 0.00 -1.05 0.00 0.00 178.44 178.44 1e2k h ALA 311 N 1.15 1.55 -0.13 1.49 0.00 -0.97 0.54 119.26 122.89 1e2k h ALA 311 Ca 0.21 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1e2k h ALA 311 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1e2k h ALA 311 CO -0.03 0.40 -0.27 -0.07 0.00 0.00 0.00 179.25 179.28 1e2k h LEU 312 N 0.91 0.24 -0.84 0.00 3.38 -0.57 0.01 115.31 118.43 1e2k h LEU 312 Ca 0.27 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1e2k h LEU 312 Cb -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1e2k h LEU 312 CO -0.07 0.51 -0.05 0.44 0.09 0.00 0.00 178.44 179.37 1e2k h ASP 313 N 0.22 0.79 -0.37 -0.43 3.32 0.79 0.44 116.42 121.18 1e2k h ASP 313 Ca 0.03 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1e2k h ASP 313 Cb 0.59 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1e2k h ASP 313 CO 0.04 0.89 0.09 0.58 -1.72 0.00 0.00 179.24 179.11 1e2k h VAL 314 N 0.75 1.23 -0.49 -1.35 2.07 -0.56 -1.95 116.25 115.94 1e2k h VAL 314 Ca 0.14 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1e2k h VAL 314 Cb 0.52 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1e2k h VAL 314 CO 0.03 0.26 0.26 0.25 0.02 0.00 0.00 177.57 178.39 1e2k h LEU 315 N 0.45 0.38 -0.62 2.57 5.85 -0.44 0.67 115.31 124.16 1e2k h LEU 315 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1e2k h LEU 315 Cb 0.31 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1e2k h LEU 315 CO 0.00 0.26 0.36 0.00 -0.34 0.00 0.00 178.44 178.73 1e2k h ALA 316 N 1.25 0.79 -0.15 1.25 0.00 -0.76 -0.04 119.26 121.61 1e2k h ALA 316 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1e2k h ALA 316 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1e2k h ALA 316 CO -0.14 0.29 0.07 -0.22 0.00 0.00 0.00 179.25 179.25 1e2k h LYS 317 N 0.84 0.21 -0.59 0.00 3.64 -0.55 -1.86 116.57 118.26 1e2k h LYS 317 Ca 0.22 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1e2k h LYS 317 Cb 0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1e2k h LYS 317 CO -0.04 0.25 -0.00 0.00 -2.27 0.00 0.00 179.45 177.39 1e2k h ARG 318 N 0.11 1.05 0.19 1.90 2.47 -0.64 -3.32 114.38 116.14 1e2k h ARG 318 Ca 0.05 -0.33 -0.32 0.00 -1.26 0.00 0.00 59.98 58.12 1e2k h ARG 318 Cb 0.11 -0.09 0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1e2k h ARG 318 CO -0.01 1.03 -1.36 -0.07 0.56 0.00 0.00 179.97 180.12 1e2k h LEU 319 N 0.94 0.82 -0.98 3.04 3.38 -1.00 -3.36 115.31 118.15 1e2k h LEU 319 Ca 0.17 -0.82 0.29 0.00 0.09 0.00 0.00 57.88 57.60 1e2k h LEU 319 Cb 0.56 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 1e2k h LEU 319 CO 0.03 1.63 0.53 -0.09 0.09 0.00 0.00 178.44 180.63 1e2k h ARG 320 N 0.19 0.37 -0.30 1.13 2.43 -1.43 -1.27 114.38 115.50 1e2k h ARG 320 Ca -0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1e2k h ARG 320 Cb 2.05 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1e2k h ARG 320 CO 0.25 0.24 0.00 -1.13 -1.51 0.00 0.00 179.97 177.83 1e2k n SER 321 N -5.03 2.17 -4.81 -3.80 3.41 -1.26 -4.66 113.62 99.64 1e2k n SER 321 Ca 0.29 -1.86 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 1e2k n SER 321 Cb 0.87 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1e2k n SER 321 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1e2k s MET 322 N -1.61 4.28 -0.31 4.33 -1.94 -0.48 -4.72 119.30 118.85 1e2k s MET 322 Ca 0.32 1.02 -0.09 0.00 -1.71 0.00 0.00 55.69 55.23 1e2k s MET 322 Cb 0.17 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.44 1e2k s MET 322 CO 0.24 0.20 0.14 -1.01 -0.01 0.00 0.00 175.02 174.58 1e2k s HIS 323 N -1.82 3.18 -0.16 -0.03 0.09 -0.15 -4.99 115.29 111.40 1e2k s HIS 323 Ca 0.52 -0.71 -0.11 0.00 -0.00 0.00 0.00 55.06 54.77 1e2k s HIS 323 Cb -0.14 -2.33 -0.05 0.00 -0.00 0.00 0.00 32.58 30.06 1e2k s HIS 323 CO 0.19 -0.50 0.19 0.08 -0.00 0.00 0.00 174.74 174.70 1e2k s VAL 324 N 1.58 5.38 -0.04 -0.90 1.01 -1.26 0.46 120.40 126.63 1e2k s VAL 324 Ca 0.04 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1e2k s VAL 324 Cb -0.17 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1e2k s VAL 324 CO 0.05 0.48 -0.17 -0.36 0.00 0.00 0.00 175.10 175.10 1e2k s PHE 325 N -0.03 1.69 -0.21 5.22 0.40 -0.55 -4.95 117.98 119.54 1e2k s PHE 325 Ca 0.13 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1e2k s PHE 325 Cb -0.12 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 1e2k s PHE 325 CO 0.02 -0.15 0.03 0.42 0.70 0.00 0.00 175.22 176.24 1e2k s ILE 326 N 0.01 4.25 -0.22 0.64 -1.09 -1.26 -0.46 121.20 123.06 1e2k s ILE 326 Ca -0.03 -0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.09 1e2k s ILE 326 Cb -0.11 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1e2k s ILE 326 CO 0.02 0.41 0.12 -0.22 -1.23 0.00 0.00 174.94 174.03 1e2k s LEU 327 N 1.02 3.96 -0.26 2.97 2.96 0.20 -4.95 118.68 124.58 1e2k s LEU 327 Ca 0.03 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 1e2k s LEU 327 Cb -0.14 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1e2k s LEU 327 CO 0.02 0.10 1.13 -0.62 -1.32 0.00 0.00 176.35 175.66 1e2k s ASP 328 N 0.81 6.96 0.00 3.68 2.15 -1.26 -1.23 116.67 127.78 1e2k s ASP 328 Ca 0.06 1.30 0.24 0.00 0.43 0.00 0.00 52.55 54.59 1e2k s ASP 328 Cb -0.13 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.33 1e2k s ASP 328 CO 0.02 -0.81 1.32 -1.22 -0.17 0.00 0.00 175.17 174.31 1e2k n TYR 329 N 6.73 0.00 -0.94 -5.34 4.01 0.55 -4.62 117.16 117.56 1e2k n TYR 329 Ca 0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 1e2k n TYR 329 Cb 0.46 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 1e2k n TYR 329 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1e2k n ASP 330 N -0.68 4.90 -3.64 7.72 2.03 -1.25 -4.72 116.55 120.90 1e2k n ASP 330 Ca 0.09 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.96 1e2k n ASP 330 Cb 0.38 -1.18 0.01 0.00 -0.72 0.00 0.00 41.12 39.61 1e2k n ASP 330 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e2k s GLN 331 N 3.54 0.73 0.80 -0.67 -2.07 -1.26 -5.10 119.66 115.63 1e2k s GLN 331 Ca 0.47 -0.47 -0.11 0.00 -1.82 0.00 0.00 55.36 53.44 1e2k s GLN 331 Cb 0.12 0.20 0.08 0.00 -1.09 0.00 0.00 33.01 32.32 1e2k s GLN 331 CO -0.01 -0.34 1.10 -1.54 -1.32 0.00 0.00 175.29 173.18 1e2k s SER 332 N -3.60 4.17 0.57 12.60 1.04 -1.26 -4.68 113.70 122.54 1e2k s SER 332 Ca 0.25 1.86 0.25 0.00 0.48 0.00 0.00 55.95 58.79 1e2k s SER 332 Cb -0.01 -2.50 1.64 0.00 0.10 0.00 0.00 66.02 65.25 1e2k s SER 332 CO 0.01 -2.25 2.22 -0.65 0.98 0.00 0.00 173.24 173.55 1e2k h PRO 333 N -1.28 0.00 0.00 4.02 0.11 -1.97 1.15 132.00 134.03 1e2k h PRO 333 Ca -0.44 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 1e2k h PRO 333 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1e2k h PRO 333 CO 0.50 0.00 -1.19 0.00 -0.21 0.00 0.00 178.00 177.10 1e2k h ALA 334 N 2.00 0.63 0.05 -0.75 0.00 -1.97 -1.29 119.26 117.93 1e2k h ALA 334 Ca -0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 54.91 53.75 1e2k h ALA 334 Cb 0.01 0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1e2k h ALA 334 CO 0.00 1.06 -1.08 0.78 0.00 0.00 0.00 179.25 180.01 1e2k h GLY 335 N 3.48 0.51 1.00 0.00 0.00 -0.88 -0.77 103.07 106.43 1e2k h GLY 335 Ca -0.12 -1.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.06 1e2k h GLY 335 CO 0.07 0.88 -0.43 0.00 0.00 0.00 0.00 176.54 177.07 1e2k h ARG 337 N 0.42 1.11 -0.36 0.00 2.43 -1.27 -0.56 114.38 116.15 1e2k h ARG 337 Ca 0.01 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1e2k h ARG 337 Cb 1.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1e2k h ARG 337 CO 0.10 0.79 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.80 1e2k h ASP 338 N 1.12 0.73 -0.73 -3.80 3.32 -1.04 -2.35 116.42 113.66 1e2k h ASP 338 Ca 0.29 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1e2k h ASP 338 Cb -0.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1e2k h ASP 338 CO -0.05 0.94 0.39 0.00 -1.72 0.00 0.00 179.24 178.80 1e2k h ALA 339 N 0.82 0.94 -0.49 3.45 0.00 -0.89 -1.86 119.26 121.22 1e2k h ALA 339 Ca 0.09 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1e2k h ALA 339 Cb 0.63 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1e2k h ALA 339 CO 0.04 0.46 0.18 1.25 0.00 0.00 0.00 179.25 181.19 1e2k h LEU 340 N 1.01 0.20 -1.48 0.00 5.85 -1.01 0.07 115.31 119.95 1e2k h LEU 340 Ca 0.26 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1e2k h LEU 340 Cb 0.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1e2k h LEU 340 CO -0.04 0.14 -0.25 0.25 -0.34 0.00 0.00 178.44 178.20 1e2k h LEU 341 N 0.37 0.02 -0.63 2.25 5.85 -0.99 -1.85 115.31 120.32 1e2k h LEU 341 Ca 0.23 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 1e2k h LEU 341 Cb 0.24 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1e2k h LEU 341 CO -0.23 0.26 -0.34 1.56 -0.34 0.00 0.00 178.44 179.35 1e2k h GLN 342 N 0.02 0.70 0.00 1.25 1.08 -0.35 -2.99 115.11 114.82 1e2k h GLN 342 Ca 0.00 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1e2k h GLN 342 Cb 0.45 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1e2k h GLN 342 CO 0.03 0.94 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.77 1e2k h LEU 343 N 0.59 0.00 -1.92 1.46 3.38 -0.18 -3.18 115.31 115.46 1e2k h LEU 343 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1e2k h LEU 343 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1e2k h LEU 343 CO 0.08 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1e2k h THR 344 N 0.00 0.00 0.00 0.22 1.03 -1.41 -3.08 112.91 109.67 1e2k h THR 344 Ca -0.00 -0.34 -0.04 0.00 -0.01 0.00 0.00 66.41 66.03 1e2k h THR 344 Cb 0.16 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 1e2k h THR 344 CO 0.00 0.00 -0.17 0.28 -0.01 0.00 0.00 175.52 175.62 1e2k h SER 345 N 0.00 0.00 -0.02 0.00 0.02 -1.76 -2.36 113.55 109.43 1e2k h SER 345 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1e2k h SER 345 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1e2k h SER 345 CO 0.00 0.17 -0.01 0.61 -1.14 0.00 0.00 176.83 176.46 1e2k n GLY 346 N -0.54 0.51 3.84 -3.77 0.00 -1.16 -4.96 105.19 99.10 1e2k n GLY 346 Ca -0.02 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1e2k n GLY 346 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1e2k s MET 347 N -2.01 3.95 -0.18 1.61 -1.94 -0.89 -5.03 119.30 114.81 1e2k s MET 347 Ca 0.33 0.93 -0.13 0.00 -1.71 0.00 0.00 55.69 55.11 1e2k s MET 347 Cb 0.20 -2.15 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 1e2k s MET 347 CO 0.32 -0.25 0.25 0.08 -0.01 0.00 0.00 175.02 175.41 1e2k s VAL 348 N -2.60 5.33 0.29 -6.03 1.01 -1.26 -5.05 120.40 112.09 1e2k s VAL 348 Ca 0.58 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1e2k s VAL 348 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1e2k s VAL 348 CO 0.31 0.38 0.49 -1.10 0.00 0.00 0.00 175.10 175.18 1e2k s GLN 349 N 0.61 3.50 0.25 2.72 -0.21 -0.72 -4.50 119.66 121.31 1e2k s GLN 349 Ca 0.14 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.20 1e2k s GLN 349 Cb -0.13 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 1e2k s GLN 349 CO 0.03 0.25 -0.02 0.95 -2.12 0.00 0.00 175.29 174.38 1e2k s THR 350 N -2.15 1.22 0.60 -0.19 -4.23 -0.16 -1.63 115.64 109.10 1e2k s THR 350 Ca 0.39 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1e2k s THR 350 Cb -0.10 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1e2k s THR 350 CO 0.33 -0.29 0.91 -1.00 -0.54 0.00 0.00 174.62 174.03 1e2k s HIS 351 N -3.29 3.25 0.31 3.99 3.76 0.30 0.28 115.29 123.89 1e2k s HIS 351 Ca 0.29 0.65 0.06 0.00 -0.15 0.00 0.00 55.06 55.92 1e2k s HIS 351 Cb 0.05 -2.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.97 1e2k s HIS 351 CO 0.10 -0.85 0.44 0.14 -0.85 0.00 0.00 174.74 173.72 1e2k s VAL 352 N -3.01 4.35 -0.14 -0.90 -7.23 -0.77 -0.45 120.40 112.25 1e2k s VAL 352 Ca 0.54 -1.01 0.19 0.00 -1.81 0.00 0.00 61.98 59.90 1e2k s VAL 352 Cb -0.11 -3.51 -0.15 0.00 0.56 0.00 0.00 36.38 33.17 1e2k s VAL 352 CO 0.45 -0.20 0.74 0.35 -0.31 0.00 0.00 175.10 176.13 1e2k n THR 353 N -1.57 0.83 -4.39 5.32 -2.24 -0.46 -4.54 114.28 107.23 1e2k n THR 353 Ca -0.02 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 1e2k n THR 353 Cb 0.58 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 1e2k n THR 353 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1e2k s THR 354 N -3.11 1.77 0.25 4.28 -4.23 -1.26 -5.00 115.64 108.33 1e2k s THR 354 Ca -0.04 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.25 1e2k s THR 354 Cb 0.10 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1e2k s THR 354 CO 0.83 -0.45 1.73 -0.65 -0.54 0.00 0.00 174.62 175.53 1e2k h PRO 355 N 2.41 0.78 -0.04 3.99 0.11 -2.01 -1.55 132.00 135.69 1e2k h PRO 355 Ca -0.39 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1e2k h PRO 355 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1e2k h PRO 355 CO 0.64 0.82 0.00 0.41 -0.21 0.00 0.00 178.00 179.67 1e2k n GLY 356 N -0.54 -0.51 0.11 -0.55 0.00 -1.26 -4.30 105.19 98.15 1e2k n GLY 356 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1e2k n GLY 356 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1e2k h SER 357 N 0.98 0.22 -0.16 1.61 0.02 -1.66 -3.19 113.55 111.38 1e2k h SER 357 Ca 0.00 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1e2k h SER 357 Cb 0.21 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1e2k h SER 357 CO 0.00 0.16 -0.43 0.40 -1.14 0.00 0.00 176.83 175.82 1e2k h ILE 358 N 0.28 0.13 0.00 3.27 1.08 -1.80 -1.63 117.51 118.84 1e2k h ILE 358 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1e2k h ILE 358 Cb -0.02 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 1e2k h ILE 358 CO -0.03 0.00 -0.07 -0.65 -0.69 0.00 0.00 178.15 176.71 1e2k h PRO 359 N -0.48 0.00 0.00 2.37 0.11 -1.87 -1.43 132.00 130.70 1e2k h PRO 359 Ca 0.08 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.97 1e2k h PRO 359 Cb 0.63 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1e2k h PRO 359 CO -0.42 0.07 -1.05 1.15 -0.21 0.00 0.00 178.00 177.53 1e2k h THR 360 N 0.00 1.66 -0.24 -1.15 2.02 -1.47 -2.02 112.91 111.71 1e2k h THR 360 Ca -0.00 -3.37 -0.13 0.00 0.77 0.00 0.00 66.41 63.68 1e2k h THR 360 Cb 0.12 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1e2k h THR 360 CO 0.01 0.95 -0.35 0.40 0.37 0.00 0.00 175.52 176.89 1e2k h ILE 361 N 0.00 1.31 -0.55 3.11 2.04 -0.79 -0.72 117.51 121.90 1e2k h ILE 361 Ca -0.03 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.31 1e2k h ILE 361 Cb 1.79 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 1e2k h ILE 361 CO 0.13 0.49 0.31 0.00 0.00 0.00 0.00 178.15 179.07 1e2k h ASP 363 N 0.59 0.59 0.13 0.00 3.58 -1.20 -0.92 116.42 119.20 1e2k h ASP 363 Ca 0.24 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1e2k h ASP 363 Cb 0.10 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1e2k h ASP 363 CO -0.14 0.50 -0.37 0.25 -2.88 0.00 0.00 179.24 176.60 1e2k h LEU 364 N 0.64 -1.09 -0.48 2.28 7.12 -0.43 0.04 115.31 123.40 1e2k h LEU 364 Ca 0.17 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.37 1e2k h LEU 364 Cb 0.03 0.41 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 1e2k h LEU 364 CO -0.03 -0.46 0.17 0.00 -0.13 0.00 0.00 178.44 178.00 1e2k h ALA 365 N -0.06 0.59 -0.41 1.25 0.00 -0.84 0.15 119.26 119.94 1e2k h ALA 365 Ca 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1e2k h ALA 365 Cb 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1e2k h ALA 365 CO -0.21 -0.22 -0.26 0.00 0.00 0.00 0.00 179.25 178.57 1e2k h ARG 366 N 0.35 0.87 -0.58 0.00 3.08 -0.96 -2.06 114.38 115.08 1e2k h ARG 366 Ca 0.23 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1e2k h ARG 366 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1e2k h ARG 366 CO -0.23 1.02 0.13 1.15 -1.07 0.00 0.00 179.97 180.97 1e2k h THR 367 N 0.74 1.25 0.09 2.04 2.02 -0.58 -0.87 112.91 117.61 1e2k h THR 367 Ca 0.09 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1e2k h THR 367 Cb 0.80 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1e2k h THR 367 CO 0.07 0.34 -0.11 0.15 0.37 0.00 0.00 175.52 176.34 1e2k h PHE 368 N 0.83 -0.28 -0.17 3.16 3.04 -0.59 -1.31 116.94 121.62 1e2k h PHE 368 Ca 0.18 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.17 1e2k h PHE 368 Cb 0.36 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1e2k h PHE 368 CO 0.03 -0.17 -0.09 0.00 -2.02 0.00 0.00 178.31 176.06 1e2k h ALA 369 N 0.65 0.05 -0.97 2.41 0.00 -1.18 0.36 119.26 120.59 1e2k h ALA 369 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1e2k h ALA 369 Cb 0.23 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1e2k h ALA 369 CO -0.04 -0.53 0.64 -0.09 0.00 0.00 0.00 179.25 179.23 1e2k h ARG 370 N -0.08 1.28 0.15 0.00 2.43 -1.08 0.68 114.38 117.77 1e2k h ARG 370 Ca 0.10 -0.08 -0.34 0.00 -0.81 0.00 0.00 59.98 58.85 1e2k h ARG 370 Cb 0.22 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1e2k h ARG 370 CO -0.22 0.85 -1.69 1.49 -1.51 0.00 0.00 179.97 178.88 1e2k h GLU 371 N 1.32 0.32 0.00 0.20 4.81 -0.75 -3.41 114.58 117.07 1e2k h GLU 371 Ca 0.36 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1e2k h GLU 371 Cb -0.15 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1e2k h GLU 371 CO -0.08 1.21 -1.10 -1.33 -0.73 0.00 0.00 179.01 176.98 1e2k n MET 372 N -3.52 1.38 -2.06 1.92 2.81 0.12 -4.81 117.12 112.97 1e2k n MET 372 Ca -0.22 -0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.28 1e2k n MET 372 Cb 1.06 -1.11 0.01 0.00 -0.71 0.00 0.00 33.22 32.48 1e2k n MET 372 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1e2k s GLY 373 N -2.63 2.24 0.00 3.03 0.00 0.23 -1.37 107.32 108.82 1e2k s GLY 373 Ca -0.01 0.51 0.18 0.00 0.00 0.00 0.00 44.72 45.40 1e2k s GLY 373 CO 0.34 0.84 1.50 -2.21 0.00 0.00 0.00 173.10 173.56