#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5o s SER 2 N 0.00 3.33 -0.22 1.61 1.04 -1.26 -5.02 113.70 113.19 2e5o s SER 2 Ca 0.00 1.38 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 2e5o s SER 2 Cb 0.00 -2.06 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 2e5o s SER 2 CO 0.00 -2.71 -0.26 -1.54 0.98 0.00 0.00 173.24 169.71 2e5o n SER 3 N -3.92 1.75 -1.23 7.02 3.41 -1.26 -5.11 113.62 114.28 2e5o n SER 3 Ca 0.07 0.18 -0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2e5o n SER 3 Cb 0.56 -0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2e5o n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5o n GLY 4 N 1.82 -3.00 3.23 5.00 0.00 -1.26 -4.94 105.19 106.05 2e5o n GLY 4 Ca -0.42 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 2e5o n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5o n SER 5 N 0.09 5.76 -3.76 1.61 2.88 -1.26 -4.97 113.62 113.96 2e5o n SER 5 Ca -0.01 -3.16 -0.13 0.00 -1.33 0.00 0.00 58.87 54.25 2e5o n SER 5 Cb 0.01 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.04 2e5o n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e5o s SER 6 N 0.32 -0.27 -0.44 -3.46 0.01 -1.26 -5.11 113.70 103.50 2e5o s SER 6 Ca 0.31 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.69 2e5o s SER 6 Cb -0.05 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 2e5o s SER 6 CO -0.03 -0.27 1.94 -0.83 0.41 0.00 0.00 173.24 174.47 2e5o s GLY 7 N -0.53 0.40 0.39 3.44 0.00 -1.26 -4.97 107.32 104.78 2e5o s GLY 7 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 2e5o s GLY 7 CO 0.02 3.49 0.61 -0.98 0.00 0.00 0.00 173.10 176.24 2e5o s TRP 8 N 8.49 3.46 -0.04 1.90 0.52 -1.26 -3.59 118.94 128.41 2e5o s TRP 8 Ca 0.80 0.41 0.01 0.00 0.02 0.00 0.00 56.10 57.34 2e5o s TRP 8 Cb -0.19 -2.04 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 2e5o s TRP 8 CO 0.28 -0.03 -0.06 0.00 0.02 0.00 0.00 176.95 177.15 2e5o s LEU 10 N 0.73 4.06 0.13 0.00 2.96 0.28 -3.45 118.68 123.38 2e5o s LEU 10 Ca -0.11 -1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 52.36 2e5o s LEU 10 Cb -0.14 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 2e5o s LEU 10 CO 0.01 -0.28 1.34 -0.44 -1.32 0.00 0.00 176.35 175.66 2e5o s SER 11 N 1.35 6.88 0.32 3.68 0.01 -1.26 -2.94 113.70 121.75 2e5o s SER 11 Ca -0.02 2.30 0.09 0.00 1.31 0.00 0.00 55.95 59.63 2e5o s SER 11 Cb -0.19 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.39 2e5o s SER 11 CO 0.01 -0.60 -0.02 -0.69 0.41 0.00 0.00 173.24 172.36 2e5o s VAL 12 N 0.85 2.72 -0.35 3.43 1.01 0.12 -4.80 120.40 123.37 2e5o s VAL 12 Ca 0.62 -2.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 2e5o s VAL 12 Cb -0.36 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2e5o s VAL 12 CO 0.32 -0.25 0.24 -1.00 0.00 0.00 0.00 175.10 174.41 2e5o s HIS 13 N -2.49 3.23 0.86 5.22 3.76 -1.26 -0.23 115.29 124.38 2e5o s HIS 13 Ca 0.34 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.78 2e5o s HIS 13 Cb -0.02 -2.48 0.09 0.00 1.11 0.00 0.00 32.58 31.29 2e5o s HIS 13 CO 0.19 -0.42 1.03 1.04 -0.85 0.00 0.00 174.74 175.73 2e5o n GLN 14 N 5.10 -0.11 0.06 1.40 1.13 -1.26 -2.73 117.38 120.96 2e5o n GLN 14 Ca -0.12 0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 54.93 2e5o n GLN 14 Cb 0.49 -2.30 0.16 0.00 0.11 0.00 0.00 30.24 28.70 2e5o n GLN 14 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2e5o h PRO 15 N -1.32 0.35 -0.25 -1.09 0.13 -1.93 -3.39 132.00 124.49 2e5o h PRO 15 Ca -0.45 -0.19 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2e5o h PRO 15 Cb 1.29 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2e5o h PRO 15 CO 0.42 0.74 -0.15 0.91 -0.23 0.00 0.00 178.00 179.69 2e5o n TRP 16 N -4.00 -0.11 -0.26 1.56 8.01 -1.15 0.17 117.44 121.68 2e5o n TRP 16 Ca -0.02 0.32 -0.00 0.00 -1.31 0.00 0.00 57.50 56.49 2e5o n TRP 16 Cb 0.52 -0.52 0.04 0.00 -2.01 0.00 0.00 31.31 29.33 2e5o n TRP 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2e5o n ALA 17 N -3.81 -0.05 0.09 6.99 0.00 -1.11 -0.11 120.51 122.51 2e5o n ALA 17 Ca 0.01 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 2e5o n ALA 17 Cb 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 2e5o n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2e5o h SER 18 N 0.00 -0.24 -1.81 0.00 0.02 0.14 -3.07 113.55 108.59 2e5o h SER 18 Ca 0.25 -0.28 0.53 0.00 -0.84 0.00 0.00 61.79 61.44 2e5o h SER 18 Cb 0.41 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 2e5o h SER 18 CO -0.67 0.22 1.35 -0.07 -1.14 0.00 0.00 176.83 176.52 2e5o h LEU 19 N -0.76 0.00 0.12 5.07 3.38 -0.08 0.91 115.31 123.96 2e5o h LEU 19 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2e5o h LEU 19 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2e5o h LEU 19 CO 0.05 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.45 2e5o h LEU 20 N 0.00 -0.14 -0.48 1.67 4.07 -0.98 0.28 115.31 119.74 2e5o h LEU 20 Ca 0.86 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.83 2e5o h LEU 20 Cb 3.55 0.04 0.00 0.00 1.08 0.00 0.00 40.66 45.33 2e5o h LEU 20 CO -0.01 -0.07 0.00 1.33 -1.08 0.00 0.00 178.44 178.61 2e5o n VAL 21 N -2.61 1.57 0.11 1.22 0.24 -0.21 -1.52 118.33 117.13 2e5o n VAL 21 Ca -0.02 0.54 -0.23 0.00 -2.04 0.00 0.00 64.34 62.59 2e5o n VAL 21 Cb 0.07 -1.52 -0.15 0.00 -1.47 0.00 0.00 33.84 30.76 2e5o n VAL 21 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2e5o h ARG 22 N 0.00 0.45 0.00 7.34 2.47 -0.81 -3.18 114.38 120.65 2e5o h ARG 22 Ca 0.00 -0.77 0.00 0.00 -1.26 0.00 0.00 59.98 57.95 2e5o h ARG 22 Cb 0.04 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2e5o h ARG 22 CO 0.00 1.36 0.00 0.41 0.56 0.00 0.00 179.97 182.30 2e5o n GLY 23 N 1.79 0.65 0.09 0.04 0.00 -0.57 -4.98 105.19 102.20 2e5o n GLY 23 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2e5o n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2e5o h ILE 24 N 0.00 1.25 -3.41 -0.61 5.03 -0.70 -3.45 117.51 115.61 2e5o h ILE 24 Ca 0.00 -2.20 -0.60 0.00 -0.12 0.00 0.00 64.86 61.94 2e5o h ILE 24 Cb 0.00 2.62 -0.10 0.00 -3.03 0.00 0.00 36.82 36.32 2e5o h ILE 24 CO 0.00 0.42 0.19 -0.75 -0.68 0.00 0.00 178.15 177.34 2e5o s LYS 25 N -2.29 4.18 0.00 2.37 2.47 -0.34 -4.91 119.74 121.22 2e5o s LYS 25 Ca -0.24 0.66 0.18 0.00 -1.56 0.00 0.00 55.97 55.01 2e5o s LYS 25 Cb 0.02 -3.61 0.02 0.00 -1.46 0.00 0.00 37.83 32.80 2e5o s LYS 25 CO 0.61 -0.34 0.96 0.54 0.16 0.00 0.00 175.35 177.28 2e5o n ARG 26 N 5.40 1.55 -4.11 4.03 1.74 -1.26 -4.36 116.66 119.66 2e5o n ARG 26 Ca 0.00 -0.98 -0.08 0.00 -0.77 0.00 0.00 57.85 56.02 2e5o n ARG 26 Cb 0.49 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 2e5o n ARG 26 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2e5o s VAL 27 N -2.02 0.17 -0.06 1.55 -7.23 -1.26 -0.69 120.40 110.85 2e5o s VAL 27 Ca 0.16 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2e5o s VAL 27 Cb 0.15 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.36 2e5o s VAL 27 CO 0.43 -0.75 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.65 2e5o s GLU 28 N -3.97 1.61 -0.10 4.82 -6.30 0.23 -4.91 118.70 110.08 2e5o s GLU 28 Ca 0.14 -0.41 -0.24 0.00 -2.50 0.00 0.00 54.97 51.97 2e5o s GLU 28 Cb 0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 34.13 32.82 2e5o s GLU 28 CO -0.05 0.05 0.72 0.20 0.02 0.00 0.00 175.26 176.20 2e5o s GLY 29 N 0.58 2.48 -0.05 -1.50 0.00 -1.26 -0.14 107.32 107.43 2e5o s GLY 29 Ca -0.13 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.59 2e5o s GLY 29 CO 0.03 1.28 0.21 0.50 0.00 0.00 0.00 173.10 175.12 2e5o s ARG 30 N 1.14 0.37 -0.04 2.90 1.81 -1.16 -4.88 118.95 119.09 2e5o s ARG 30 Ca 0.37 0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.45 2e5o s ARG 30 Cb -0.17 0.17 0.15 0.00 -0.45 0.00 0.00 34.95 34.64 2e5o s ARG 30 CO 0.16 -0.07 0.75 -1.13 -0.68 0.00 0.00 175.30 174.33 2e5o n SER 31 N 2.34 1.81 -4.08 0.23 3.41 -1.26 -2.31 113.62 113.76 2e5o n SER 31 Ca -0.17 -2.16 -0.10 0.00 -0.26 0.00 0.00 58.87 56.18 2e5o n SER 31 Cb 0.57 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2e5o n SER 31 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2e5o s TRP 32 N -1.35 0.72 -0.10 7.33 1.48 -1.26 -4.90 118.94 120.85 2e5o s TRP 32 Ca 0.10 -1.04 -0.01 0.00 -1.06 0.00 0.00 56.10 54.09 2e5o s TRP 32 Cb 0.08 -0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 32.11 2e5o s TRP 32 CO 0.03 -0.71 -0.04 -0.47 -4.06 0.00 0.00 176.95 171.71 2e5o s TYR 33 N -4.05 3.04 -0.27 1.66 6.14 -1.26 -4.51 117.35 118.10 2e5o s TYR 33 Ca 0.26 -0.02 -0.00 0.00 0.64 0.00 0.00 57.07 57.95 2e5o s TYR 33 Cb 0.05 -1.82 0.08 0.00 0.42 0.00 0.00 41.96 40.69 2e5o s TYR 33 CO 0.06 0.26 0.05 -0.08 0.64 0.00 0.00 175.55 176.48 2e5o s THR 34 N -0.46 1.06 -2.00 4.34 -1.32 -1.26 -4.98 115.64 111.02 2e5o s THR 34 Ca 0.07 -1.28 0.10 0.00 -1.21 0.00 0.00 61.69 59.37 2e5o s THR 34 Cb -0.12 -1.66 0.28 0.00 -1.51 0.00 0.00 72.50 69.49 2e5o s THR 34 CO 0.02 -0.46 1.02 -0.81 -2.21 0.00 0.00 174.62 172.18 2e5o n PRO 35 N 4.80 0.49 -1.93 7.08 -0.04 -1.26 -4.72 135.00 139.42 2e5o n PRO 35 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 2e5o n PRO 35 Cb 0.43 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2e5o n PRO 35 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2e5o s HIS 36 N -2.00 1.79 -0.16 0.54 5.65 -1.26 -4.98 115.29 114.87 2e5o s HIS 36 Ca 0.15 0.22 0.01 0.00 0.25 0.00 0.00 55.06 55.69 2e5o s HIS 36 Cb 0.07 -4.00 0.02 0.00 -1.18 0.00 0.00 32.58 27.48 2e5o s HIS 36 CO 0.11 -3.91 -0.19 1.03 -0.65 0.00 0.00 174.74 171.13 2e5o s ARG 37 N 4.60 2.85 0.00 2.88 1.81 -1.26 -4.85 118.95 124.98 2e5o s ARG 37 Ca 0.79 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 2e5o s ARG 37 Cb -0.32 -2.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2e5o s ARG 37 CO 0.32 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.19 2e5o n GLY 38 N 4.49 -0.04 3.75 -3.53 0.00 -1.10 -5.00 105.19 103.75 2e5o n GLY 38 Ca -0.20 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2e5o n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e5o s ARG 39 N 0.00 3.24 -0.20 1.61 3.52 -1.26 -1.50 118.95 124.36 2e5o s ARG 39 Ca 0.00 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2e5o s ARG 39 Cb 0.00 -2.97 0.09 0.00 -1.56 0.00 0.00 34.95 30.50 2e5o s ARG 39 CO 0.00 0.69 0.19 -1.17 -0.81 0.00 0.00 175.30 174.19 2e5o s LEU 40 N -0.81 0.02 -0.05 -0.88 2.96 -0.66 -4.12 118.68 115.15 2e5o s LEU 40 Ca 0.13 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 2e5o s LEU 40 Cb -0.12 0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 2e5o s LEU 40 CO 0.03 -0.34 1.30 0.26 -1.32 0.00 0.00 176.35 176.27 2e5o s TRP 41 N 2.27 2.99 -0.18 5.38 0.52 0.84 -0.01 118.94 130.76 2e5o s TRP 41 Ca 0.06 1.01 -0.15 0.00 0.02 0.00 0.00 56.10 57.04 2e5o s TRP 41 Cb -0.16 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 2e5o s TRP 41 CO -0.13 -1.85 0.37 0.42 0.02 0.00 0.00 176.95 175.78 2e5o s ILE 42 N 2.47 5.24 -0.00 2.03 -1.09 0.00 0.99 121.20 130.85 2e5o s ILE 42 Ca 0.59 0.67 0.05 0.00 -2.23 0.00 0.00 60.65 59.73 2e5o s ILE 42 Cb -0.27 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2e5o s ILE 42 CO 0.23 0.30 -0.17 0.00 -1.23 0.00 0.00 174.94 174.08 2e5o s ALA 43 N 0.97 1.41 -0.14 9.38 0.00 -1.15 -2.35 121.76 129.88 2e5o s ALA 43 Ca 0.19 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2e5o s ALA 43 Cb -0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2e5o s ALA 43 CO 0.07 0.33 1.23 0.00 0.00 0.00 0.00 175.76 177.40 2e5o s ALA 44 N -0.49 3.62 1.39 0.00 0.00 -0.92 0.12 121.76 125.48 2e5o s ALA 44 Ca 0.06 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 2e5o s ALA 44 Cb -0.07 -3.59 0.30 0.00 0.00 0.00 0.00 23.12 19.77 2e5o s ALA 44 CO -0.00 -1.07 0.69 0.25 0.00 0.00 0.00 175.76 175.63 2e5o n THR 45 N 5.19 0.00 0.29 0.00 -2.24 0.68 0.51 114.28 118.71 2e5o n THR 45 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 2e5o n THR 45 Cb 0.45 -0.78 0.14 0.00 -2.10 0.00 0.00 70.33 68.04 2e5o n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5o n ALA 46 N -5.26 3.09 -2.78 6.98 0.00 -1.26 -1.87 120.51 119.41 2e5o n ALA 46 Ca -0.16 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.18 2e5o n ALA 46 Cb 0.48 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 2e5o n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2e5o s LYS 47 N -1.59 3.92 -0.13 0.00 2.20 -1.26 -4.94 119.74 117.94 2e5o s LYS 47 Ca 0.20 -0.22 -0.22 0.00 -0.36 0.00 0.00 55.97 55.37 2e5o s LYS 47 Cb 0.16 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 2e5o s LYS 47 CO 0.06 0.44 0.67 0.15 -0.36 0.00 0.00 175.35 176.31 2e5o s LYS 48 N -0.04 4.33 0.21 4.03 3.01 -1.26 -4.49 119.74 125.52 2e5o s LYS 48 Ca 0.09 0.77 -0.30 0.00 -1.01 0.00 0.00 55.97 55.52 2e5o s LYS 48 Cb -0.11 -3.51 -0.09 0.00 -1.01 0.00 0.00 37.83 33.11 2e5o s LYS 48 CO 0.00 -0.09 1.30 -1.25 0.51 0.00 0.00 175.35 175.81 2e5o s PRO 49 N 1.38 4.40 0.50 -1.68 0.04 -1.26 -5.01 135.00 133.38 2e5o s PRO 49 Ca 0.33 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 2e5o s PRO 49 Cb -0.17 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 2e5o s PRO 49 CO 0.14 -0.23 0.99 -1.12 0.04 0.00 0.00 177.00 176.82 2e5o s SER 50 N 0.25 6.58 0.00 6.66 0.01 -1.26 -4.94 113.70 120.99 2e5o s SER 50 Ca 0.56 1.64 0.15 0.00 1.31 0.00 0.00 55.95 59.61 2e5o s SER 50 Cb -0.36 -2.52 0.72 0.00 0.21 0.00 0.00 66.02 64.07 2e5o s SER 50 CO 0.39 -0.62 1.42 -0.81 0.41 0.00 0.00 173.24 174.03 2e5o n PRO 51 N -1.40 0.17 -0.05 12.44 -0.04 -1.26 -2.65 135.00 142.21 2e5o n PRO 51 Ca 0.07 0.17 -0.18 0.00 -0.04 0.00 0.00 63.50 63.52 2e5o n PRO 51 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2e5o n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e5o n GLN 52 N -1.33 0.70 -0.08 0.54 1.13 -1.26 -3.57 117.38 113.52 2e5o n GLN 52 Ca 0.06 0.20 -0.13 0.00 -1.94 0.00 0.00 57.00 55.20 2e5o n GLN 52 Cb 0.13 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 28.79 2e5o n GLN 52 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2e5o h GLU 53 N 0.03 0.61 0.09 -1.09 3.07 -1.91 -1.02 114.58 114.37 2e5o h GLU 53 Ca -0.48 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.05 2e5o h GLU 53 Cb 2.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 2e5o h GLU 53 CO 0.02 0.93 -0.04 0.28 -1.40 0.00 0.00 179.01 178.79 2e5o h VAL 54 N 0.32 1.03 -0.24 3.13 2.07 -1.71 0.33 116.25 121.18 2e5o h VAL 54 Ca 0.04 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2e5o h VAL 54 Cb 0.82 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2e5o h VAL 54 CO 0.06 0.11 0.14 -1.28 0.02 0.00 0.00 177.57 176.62 2e5o h SER 55 N -0.32 0.29 0.43 0.57 0.87 -1.62 0.14 113.55 113.92 2e5o h SER 55 Ca -0.01 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2e5o h SER 55 Cb 0.27 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2e5o h SER 55 CO 0.02 0.27 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.05 2e5o h GLU 56 N 0.29 -0.56 0.04 2.24 5.08 -1.15 -3.10 114.58 117.42 2e5o h GLU 56 Ca 0.09 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2e5o h GLU 56 Cb 0.03 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2e5o h GLU 56 CO -0.02 -0.27 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.39 2e5o h LEU 57 N -0.79 -0.76 -0.92 1.33 3.38 -0.31 0.11 115.31 117.34 2e5o h LEU 57 Ca -0.06 0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2e5o h LEU 57 Cb 0.54 0.31 -0.17 0.00 0.09 0.00 0.00 40.66 41.42 2e5o h LEU 57 CO 0.10 -0.34 -0.16 0.00 0.09 0.00 0.00 178.44 178.13 2e5o n GLN 58 N -5.38 -0.08 0.00 1.13 6.02 0.47 0.23 117.38 119.77 2e5o n GLN 58 Ca -0.05 1.42 -0.18 0.00 -0.01 0.00 0.00 57.00 58.18 2e5o n GLN 58 Cb 0.29 -2.16 -0.10 0.00 1.02 0.00 0.00 30.24 29.29 2e5o n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5o h ALA 59 N 1.84 0.13 -0.27 -1.58 0.00 -1.34 -2.22 119.26 115.82 2e5o h ALA 59 Ca 0.47 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2e5o h ALA 59 Cb 0.80 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2e5o h ALA 59 CO -0.93 0.44 -0.15 1.15 0.00 0.00 0.00 179.25 179.76 2e5o h THR 60 N 0.08 0.56 -0.35 0.00 2.02 0.24 -1.97 112.91 113.49 2e5o h THR 60 Ca -0.07 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 2e5o h THR 60 Cb 1.35 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2e5o h THR 60 CO 0.13 0.00 -0.34 1.88 0.37 0.00 0.00 175.52 177.56 2e5o h TYR 61 N -0.11 0.91 -1.11 3.16 0.05 -0.53 -2.91 116.97 116.44 2e5o h TYR 61 Ca 0.14 -0.25 0.31 0.00 0.05 0.00 0.00 58.73 58.98 2e5o h TYR 61 Cb 0.33 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 37.80 2e5o h TYR 61 CO -0.33 1.01 0.76 0.00 -1.05 0.00 0.00 178.16 178.54 2e5o h ARG 62 N 0.65 0.17 0.00 4.88 3.08 -0.71 1.13 114.38 123.59 2e5o h ARG 62 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2e5o h ARG 62 Cb 0.88 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2e5o h ARG 62 CO 0.08 0.12 -0.89 1.28 -1.07 0.00 0.00 179.97 179.48 2e5o n LEU 63 N -4.41 0.66 0.01 3.04 4.77 -1.03 0.18 117.00 120.23 2e5o n LEU 63 Ca 0.25 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 2e5o n LEU 63 Cb 1.07 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.90 2e5o n LEU 63 CO 0.33 -0.03 -0.35 -0.07 -1.33 0.00 0.00 177.39 175.94 2e5o h LEU 64 N 0.00 0.09 0.00 2.23 3.38 0.12 -3.40 115.31 117.73 2e5o h LEU 64 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2e5o h LEU 64 Cb 0.78 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2e5o h LEU 64 CO 0.00 1.12 -1.04 0.54 0.09 0.00 0.00 178.44 179.15 2e5o n ARG 65 N -3.21 3.38 0.00 1.13 5.12 0.14 -5.07 116.66 118.15 2e5o n ARG 65 Ca -0.14 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2e5o n ARG 65 Cb 1.02 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 2e5o n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2e5o n GLY 66 N 2.89 3.80 0.27 -0.13 0.00 0.14 -4.88 105.19 107.28 2e5o n GLY 66 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.29 2e5o n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2e5o h LYS 67 N 0.00 0.00 -0.27 1.61 2.10 0.16 0.89 116.57 121.06 2e5o h LYS 67 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2e5o h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2e5o h LYS 67 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2e5o n ASP 68 N -2.36 0.27 -4.21 7.07 8.00 -1.26 -4.85 116.55 119.21 2e5o n ASP 68 Ca -0.01 -1.77 -0.29 0.00 0.71 0.00 0.00 54.79 53.44 2e5o n ASP 68 Cb 0.72 -0.14 0.22 0.00 -0.02 0.00 0.00 41.12 41.90 2e5o n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2e5o s VAL 69 N -1.69 1.78 0.45 2.53 -7.23 0.31 -5.08 120.40 111.47 2e5o s VAL 69 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 2e5o s VAL 69 Cb 0.00 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2e5o s VAL 69 CO 0.00 0.00 0.02 -1.83 -0.31 0.00 0.00 175.10 172.98 2e5o s GLU 70 N -5.17 2.07 -0.16 4.82 1.03 -1.26 -5.12 118.70 114.91 2e5o s GLU 70 Ca 0.68 -2.22 -0.26 0.00 0.03 0.00 0.00 54.97 53.20 2e5o s GLU 70 Cb -0.14 -1.61 0.07 0.00 -0.80 0.00 0.00 34.13 31.64 2e5o s GLU 70 CO 0.57 -0.19 0.66 -0.06 -1.33 0.00 0.00 175.26 174.92 2e5o s PHE 71 N -2.77 -0.69 0.61 4.83 0.08 -1.26 -4.88 117.98 113.89 2e5o s PHE 71 Ca 0.23 1.48 -0.17 0.00 0.12 0.00 0.00 56.93 58.60 2e5o s PHE 71 Cb 0.06 0.31 -0.03 0.00 -0.57 0.00 0.00 43.02 42.80 2e5o s PHE 71 CO 0.12 -0.46 1.12 -1.25 -0.10 0.00 0.00 175.22 174.65 2e5o s PRO 72 N -0.32 3.05 0.30 0.24 0.04 -1.26 -4.95 135.00 132.09 2e5o s PRO 72 Ca -0.05 1.49 0.14 0.00 0.04 0.00 0.00 61.00 62.61 2e5o s PRO 72 Cb -0.03 -1.98 0.43 0.00 0.04 0.00 0.00 34.50 32.97 2e5o s PRO 72 CO 0.05 -1.07 1.63 -2.95 0.04 0.00 0.00 177.00 174.70 2e5o h ASN 73 N 0.55 0.00 -5.56 6.66 -1.07 -2.05 -3.46 115.58 110.64 2e5o h ASN 73 Ca -0.48 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 55.63 2e5o h ASN 73 Cb 1.25 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 37.39 2e5o h ASN 73 CO 0.55 0.54 -0.37 -0.62 0.07 0.00 0.00 177.43 177.60 2e5o s ASP 74 N -6.65 0.61 -0.40 6.14 2.15 -1.26 -5.13 116.67 112.13 2e5o s ASP 74 Ca -0.00 -1.40 0.01 0.00 0.43 0.00 0.00 52.55 51.59 2e5o s ASP 74 Cb 0.12 0.53 0.14 0.00 -0.30 0.00 0.00 42.92 43.41 2e5o s ASP 74 CO 0.73 -1.07 0.23 -0.31 -0.17 0.00 0.00 175.17 174.58 2e5o s TYR 75 N -3.68 1.34 1.06 -5.34 1.51 -1.26 -5.08 117.35 105.90 2e5o s TYR 75 Ca 0.34 -2.03 -0.14 0.00 -1.01 0.00 0.00 57.07 54.23 2e5o s TYR 75 Cb 0.03 -1.38 0.22 0.00 -0.11 0.00 0.00 41.96 40.71 2e5o s TYR 75 CO 0.17 -0.81 1.10 -1.25 -1.11 0.00 0.00 175.55 173.65 2e5o s PRO 76 N 0.69 -0.10 -0.04 -1.71 0.04 -1.26 -4.83 135.00 127.80 2e5o s PRO 76 Ca 0.18 0.33 -0.05 0.00 0.04 0.00 0.00 61.00 61.50 2e5o s PRO 76 Cb -0.23 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2e5o s PRO 76 CO 0.00 -3.05 0.12 -1.54 0.04 0.00 0.00 177.00 172.57 2e5o s SER 77 N -3.58 -0.08 -0.59 6.66 1.04 -1.26 -4.81 113.70 111.07 2e5o s SER 77 Ca 0.67 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 57.21 2e5o s SER 77 Cb -0.16 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2e5o s SER 77 CO 0.57 -0.11 0.34 0.61 0.98 0.00 0.00 173.24 175.63 2e5o n GLY 78 N 2.66 0.27 3.24 7.32 0.00 0.18 -4.88 105.19 113.99 2e5o n GLY 78 Ca -0.15 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2e5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s LEU 80 N -0.97 3.85 0.00 0.00 0.20 -1.04 -2.18 118.68 118.55 2e5o s LEU 80 Ca -0.10 1.21 0.00 0.00 0.69 0.00 0.00 54.13 55.93 2e5o s LEU 80 Cb -0.04 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 2e5o s LEU 80 CO 0.03 -1.14 0.00 0.18 -0.29 0.00 0.00 176.35 175.14 2e5o n LEU 81 N 7.85 0.65 0.00 -0.68 4.77 -1.01 -4.19 117.00 124.38 2e5o n LEU 81 Ca 0.15 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2e5o n LEU 81 Cb 0.47 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2e5o n LEU 81 CO 0.64 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2e5o n GLY 82 N 2.09 4.89 3.27 -0.72 0.00 -0.99 -0.89 105.19 112.84 2e5o n GLY 82 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2e5o n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s VAL 84 N -3.58 -0.02 -0.39 0.00 -7.23 0.99 -2.47 120.40 107.70 2e5o s VAL 84 Ca 0.02 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 2e5o s VAL 84 Cb 0.02 -0.42 0.02 0.00 0.56 0.00 0.00 36.38 36.56 2e5o s VAL 84 CO -0.10 0.04 1.23 -0.62 -0.31 0.00 0.00 175.10 175.34 2e5o s ASP 85 N 0.87 6.64 -0.69 4.85 -1.08 0.12 -1.66 116.67 125.72 2e5o s ASP 85 Ca -0.06 0.86 -0.27 0.00 -0.52 0.00 0.00 52.55 52.56 2e5o s ASP 85 Cb -0.07 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.86 2e5o s ASP 85 CO -0.06 -1.18 1.44 -0.22 0.52 0.00 0.00 175.17 175.68 2e5o s LEU 86 N 4.49 3.21 0.01 -1.34 0.20 -0.56 0.24 118.68 124.93 2e5o s LEU 86 Ca 0.53 -0.18 -0.24 0.00 0.69 0.00 0.00 54.13 54.92 2e5o s LEU 86 Cb -0.12 -2.59 -0.18 0.00 -0.43 0.00 0.00 46.19 42.87 2e5o s LEU 86 CO 0.26 -1.97 1.35 0.16 -0.29 0.00 0.00 176.35 175.86 2e5o h ILE 87 N 6.28 1.33 -2.87 6.68 -2.65 -1.32 -2.92 117.51 122.05 2e5o h ILE 87 Ca -0.27 -1.02 0.08 0.00 1.03 0.00 0.00 64.86 64.68 2e5o h ILE 87 Cb 1.08 1.94 -0.07 0.00 -2.05 0.00 0.00 36.82 37.73 2e5o h ILE 87 CO 1.26 0.27 0.28 -1.81 0.03 0.00 0.00 178.15 178.18 2e5o s ASP 88 N -5.71 -0.29 -0.37 2.16 1.01 -1.19 -4.89 116.67 107.39 2e5o s ASP 88 Ca -0.15 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.65 2e5o s ASP 88 Cb 0.03 0.66 0.11 0.00 1.01 0.00 0.00 42.92 44.73 2e5o s ASP 88 CO 0.69 -1.20 0.14 0.00 0.21 0.00 0.00 175.17 175.00 2e5o s LEU 90 N 0.97 3.53 0.42 0.00 1.43 0.15 -4.82 118.68 120.35 2e5o s LEU 90 Ca 0.13 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.47 2e5o s LEU 90 Cb -0.20 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 2e5o s LEU 90 CO -0.12 -0.84 0.45 -0.55 0.23 0.00 0.00 176.35 175.51 2e5o s SER 91 N -4.29 5.29 0.64 2.29 0.15 -1.26 0.23 113.70 116.75 2e5o s SER 91 Ca 0.51 -0.61 0.15 0.00 0.70 0.00 0.00 55.95 56.70 2e5o s SER 91 Cb -0.10 -0.62 0.70 0.00 -1.71 0.00 0.00 66.02 64.29 2e5o s SER 91 CO 0.38 -0.69 1.35 1.56 1.20 0.00 0.00 173.24 177.04 2e5o h GLN 92 N 0.88 0.00 0.00 5.44 1.08 -0.04 0.93 115.11 123.40 2e5o h GLN 92 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2e5o h GLN 92 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2e5o h GLN 92 CO 0.53 0.00 -0.04 1.17 -0.95 0.00 0.00 178.83 179.54 2e5o n LYS 93 N -2.89 0.03 -0.17 1.46 4.81 -1.26 -4.05 118.16 116.10 2e5o n LYS 93 Ca 0.06 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.71 2e5o n LYS 93 Cb 0.98 -0.80 0.06 0.00 0.02 0.00 0.00 35.03 35.29 2e5o n LYS 93 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2e5o h GLN 94 N -0.08 0.44 -0.58 1.64 4.20 -1.75 0.99 115.11 119.98 2e5o h GLN 94 Ca 0.00 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.76 2e5o h GLN 94 Cb 0.04 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.62 2e5o h GLN 94 CO 0.00 0.29 -0.50 0.35 -0.67 0.00 0.00 178.83 178.30 2e5o h PHE 95 N 0.46 -1.51 -0.36 2.96 3.57 0.62 0.13 116.94 122.82 2e5o h PHE 95 Ca 0.23 0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 2e5o h PHE 95 Cb 0.18 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2e5o h PHE 95 CO -0.12 -0.44 -0.21 1.57 -2.23 0.00 0.00 178.31 176.87 2e5o h LYS 96 N -0.25 0.78 -0.23 1.11 2.10 -1.64 0.60 116.57 119.03 2e5o h LYS 96 Ca 0.14 -0.36 0.05 0.00 -2.00 0.00 0.00 60.65 58.48 2e5o h LYS 96 Cb 0.56 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 2e5o h LYS 96 CO -0.70 0.98 -0.48 0.93 -2.00 0.00 0.00 179.45 178.19 2e5o h GLU 97 N 0.56 -0.46 0.05 0.07 5.08 0.43 0.56 114.58 120.88 2e5o h GLU 97 Ca 0.07 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2e5o h GLU 97 Cb 0.77 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.13 2e5o h GLU 97 CO 0.06 -0.30 -0.27 1.96 -1.00 0.00 0.00 179.01 179.45 2e5o h GLN 98 N -0.47 0.10 -2.52 2.33 4.20 -0.83 -3.38 115.11 114.53 2e5o h GLN 98 Ca 0.08 -0.16 -0.71 0.00 0.06 0.00 0.00 58.65 57.92 2e5o h GLN 98 Cb 0.63 0.06 -0.35 0.00 0.30 0.00 0.00 27.48 28.13 2e5o h GLN 98 CO -0.48 1.08 0.13 1.19 -0.67 0.00 0.00 178.83 180.08 2e5o n PHE 99 N -4.45 2.99 0.47 2.96 3.01 0.21 -4.82 117.46 117.82 2e5o n PHE 99 Ca -0.11 -3.33 0.08 0.00 1.01 0.00 0.00 57.45 55.09 2e5o n PHE 99 Cb 0.59 -0.90 0.35 0.00 -0.01 0.00 0.00 39.48 39.51 2e5o n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2e5o n PRO 100 N 0.91 0.05 0.20 -1.08 -0.04 0.20 -2.28 135.00 132.95 2e5o n PRO 100 Ca 0.29 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 2e5o n PRO 100 Cb 0.36 -1.59 0.20 0.00 -0.04 0.00 0.00 33.50 32.43 2e5o n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2e5o h ASP 101 N 0.00 0.00 0.00 3.54 3.32 -1.88 -3.26 116.42 118.14 2e5o h ASP 101 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2e5o h ASP 101 Cb 0.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2e5o h ASP 101 CO 0.00 0.17 -0.26 2.30 -1.72 0.00 0.00 179.24 179.72 2e5o n ILE 102 N -3.16 1.48 0.31 0.35 -5.35 -0.97 -4.74 119.36 107.29 2e5o n ILE 102 Ca 0.03 -1.97 0.21 0.00 -0.27 0.00 0.00 62.75 60.74 2e5o n ILE 102 Cb 0.56 -0.02 1.00 0.00 -1.74 0.00 0.00 39.64 39.44 2e5o n ILE 102 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2e5o h SER 103 N 0.27 0.00 0.17 7.28 4.64 -1.54 -2.27 113.55 122.10 2e5o h SER 103 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 2e5o h SER 103 Cb 1.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2e5o h SER 103 CO 0.01 0.00 -2.09 0.00 -0.87 0.00 0.00 176.83 173.87 2e5o n GLN 104 N -3.08 0.67 -0.33 4.77 -0.00 -1.26 -4.37 117.38 113.79 2e5o n GLN 104 Ca -0.01 0.04 0.24 0.00 -0.00 0.00 0.00 57.00 57.27 2e5o n GLN 104 Cb 0.17 -1.60 0.46 0.00 -0.00 0.00 0.00 30.24 29.27 2e5o n GLN 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2e5o h GLU 105 N 0.00 0.05 -5.94 2.61 5.08 -1.73 -3.40 114.58 111.26 2e5o h GLU 105 Ca -0.38 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.44 2e5o h GLU 105 Cb 1.94 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 31.03 2e5o h GLU 105 CO 0.03 0.03 -0.75 0.45 -1.00 0.00 0.00 179.01 177.78 2e5o s SER 106 N -4.76 3.09 -0.00 1.42 0.15 -1.25 -4.97 113.70 107.37 2e5o s SER 106 Ca -0.11 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 55.55 2e5o s SER 106 Cb 0.31 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2e5o s SER 106 CO 0.78 -0.05 0.02 -0.67 1.20 0.00 0.00 173.24 174.52 2e5o n ASP 107 N -0.41 4.75 -4.43 5.45 -0.08 -1.26 -4.93 116.55 115.64 2e5o n ASP 107 Ca -0.07 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.89 2e5o n ASP 107 Cb 0.60 0.99 0.14 0.00 2.34 0.00 0.00 41.12 45.19 2e5o n ASP 107 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2e5o n SER 108 N -1.59 -1.79 -0.09 1.67 7.64 -1.26 -4.93 113.62 113.27 2e5o n SER 108 Ca -0.00 0.23 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 2e5o n SER 108 Cb 0.09 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 2e5o n SER 108 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2e5o h PRO 109 N -1.77 0.64 -4.50 1.43 0.13 -1.93 -3.39 132.00 122.62 2e5o h PRO 109 Ca -0.46 -0.34 -0.70 0.00 -0.87 0.00 0.00 66.00 63.63 2e5o h PRO 109 Cb 1.30 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.11 2e5o h PRO 109 CO 0.37 0.94 -0.55 -0.06 -0.23 0.00 0.00 178.00 178.47 2e5o s PHE 110 N -4.35 3.53 0.14 1.56 0.08 -0.98 0.59 117.98 118.55 2e5o s PHE 110 Ca -0.13 -2.25 -0.29 0.00 0.12 0.00 0.00 56.93 54.38 2e5o s PHE 110 Cb 0.08 -3.11 -0.07 0.00 -0.57 0.00 0.00 43.02 39.35 2e5o s PHE 110 CO 0.82 -0.95 0.92 0.08 -0.10 0.00 0.00 175.22 175.99 2e5o s VAL 111 N 1.19 4.41 -0.44 -0.44 1.01 0.62 -2.97 120.40 123.77 2e5o s VAL 111 Ca 0.06 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.92 2e5o s VAL 111 Cb -0.23 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 31.95 2e5o s VAL 111 CO -0.03 0.39 0.32 -0.36 0.00 0.00 0.00 175.10 175.41 2e5o s PHE 112 N -0.40 3.31 -0.15 5.22 0.08 0.80 -0.67 117.98 126.18 2e5o s PHE 112 Ca 0.43 -1.37 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 2e5o s PHE 112 Cb -0.24 -3.10 -0.02 0.00 -0.57 0.00 0.00 43.02 39.09 2e5o s PHE 112 CO 0.29 -0.85 1.28 0.42 -0.10 0.00 0.00 175.22 176.26 2e5o s ILE 113 N 1.49 4.24 0.15 0.64 1.01 0.13 -0.60 121.20 128.26 2e5o s ILE 113 Ca 0.04 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.27 2e5o s ILE 113 Cb -0.24 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2e5o s ILE 113 CO 0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 174.94 174.67 2e5o s LYS 115 N -2.62 1.62 -1.20 0.00 -0.14 0.14 -4.57 119.74 112.97 2e5o s LYS 115 Ca 0.13 -1.83 -0.04 0.00 -1.36 0.00 0.00 55.97 52.88 2e5o s LYS 115 Cb -0.06 0.34 -0.02 0.00 -1.68 0.00 0.00 37.83 36.41 2e5o s LYS 115 CO 0.06 -0.60 0.85 0.09 -0.76 0.00 0.00 175.35 174.99 2e5o n ASN 116 N -1.12 -3.08 -4.64 2.83 3.02 -1.26 0.11 115.26 111.12 2e5o n ASN 116 Ca 0.04 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 2e5o n ASN 116 Cb 0.63 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.19 2e5o n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e5o s PRO 117 N -5.43 3.91 -0.04 3.52 0.04 -1.26 -4.42 135.00 131.32 2e5o s PRO 117 Ca 0.15 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2e5o s PRO 117 Cb -0.03 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.52 2e5o s PRO 117 CO 0.78 -1.15 -0.11 1.14 0.04 0.00 0.00 177.00 177.70 2e5o s GLN 118 N 4.43 1.28 -0.24 4.56 -2.07 -1.03 -4.75 119.66 121.84 2e5o s GLN 118 Ca 0.70 -0.37 -0.11 0.00 -1.82 0.00 0.00 55.36 53.75 2e5o s GLN 118 Cb -0.26 -1.14 -0.05 0.00 -1.09 0.00 0.00 33.01 30.47 2e5o s GLN 118 CO 0.28 0.10 0.19 -2.00 -1.32 0.00 0.00 175.29 172.54 2e5o s GLU 119 N 0.33 4.08 0.50 9.60 -6.30 -1.20 -1.65 118.70 124.06 2e5o s GLU 119 Ca -0.07 -0.21 -0.22 0.00 -2.50 0.00 0.00 54.97 51.97 2e5o s GLU 119 Cb -0.11 -3.55 -0.06 0.00 0.00 0.00 0.00 34.13 30.41 2e5o s GLU 119 CO 0.02 0.03 1.22 -1.64 0.02 0.00 0.00 175.26 174.91 2e5o s MET 120 N 1.13 3.49 0.31 4.30 -1.94 -0.07 -4.69 119.30 121.82 2e5o s MET 120 Ca 0.09 1.89 0.08 0.00 -1.71 0.00 0.00 55.69 56.04 2e5o s MET 120 Cb -0.14 -2.29 0.50 0.00 2.01 0.00 0.00 34.83 34.91 2e5o s MET 120 CO 0.05 -0.81 1.72 0.28 -0.01 0.00 0.00 175.02 176.25 2e5o h VAL 121 N 1.61 1.31 -3.50 -6.03 2.07 -1.77 -3.44 116.25 106.50 2e5o h VAL 121 Ca -0.50 -1.52 -0.59 0.00 0.82 0.00 0.00 66.70 64.92 2e5o h VAL 121 Cb 1.27 1.72 -0.20 0.00 -1.52 0.00 0.00 31.29 32.56 2e5o h VAL 121 CO 0.59 0.45 -0.81 0.54 0.02 0.00 0.00 177.57 178.35 2e5o s VAL 122 N -4.11 1.99 0.07 2.57 0.11 -1.26 -5.14 120.40 114.63 2e5o s VAL 122 Ca -0.04 -1.84 0.09 0.00 -2.93 0.00 0.00 61.98 57.27 2e5o s VAL 122 Cb 0.14 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 2e5o s VAL 122 CO 0.76 -0.15 -0.24 -0.54 -3.33 0.00 0.00 175.10 171.60 2e5o s LYS 123 N -2.45 1.75 -0.02 1.54 -0.14 -1.26 -4.89 119.74 114.26 2e5o s LYS 123 Ca 0.14 -1.15 0.03 0.00 -1.36 0.00 0.00 55.97 53.64 2e5o s LYS 123 Cb -0.08 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.03 2e5o s LYS 123 CO 0.07 0.50 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.99 2e5o s PHE 124 N -0.91 2.78 -0.98 3.18 0.08 -1.26 -4.89 117.98 115.98 2e5o s PHE 124 Ca 0.13 -0.10 -0.24 0.00 0.12 0.00 0.00 56.93 56.84 2e5o s PHE 124 Cb -0.10 -1.62 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 2e5o s PHE 124 CO 0.04 0.28 1.94 -1.25 -0.10 0.00 0.00 175.22 176.14 2e5o s PRO 125 N -1.05 2.53 0.30 0.24 0.04 -1.26 -2.48 135.00 133.32 2e5o s PRO 125 Ca 0.14 -0.54 0.09 0.00 0.04 0.00 0.00 61.00 60.73 2e5o s PRO 125 Cb -0.11 -5.11 -0.06 0.00 0.04 0.00 0.00 34.50 29.26 2e5o s PRO 125 CO 0.03 -3.56 -0.11 0.96 0.04 0.00 0.00 177.00 174.36 2e5o s ILE 126 N 10.37 2.11 -0.14 0.56 -5.25 -0.69 -4.99 121.20 123.17 2e5o s ILE 126 Ca 0.70 -2.23 -0.06 0.00 -0.99 0.00 0.00 60.65 58.06 2e5o s ILE 126 Cb -0.05 -2.47 -0.04 0.00 2.95 0.00 0.00 42.46 42.85 2e5o s ILE 126 CO 0.03 -0.30 0.09 -0.54 -1.79 0.00 0.00 174.94 172.43 2e5o s LYS 127 N -3.62 3.58 0.43 0.37 1.02 -1.26 -3.57 119.74 116.68 2e5o s LYS 127 Ca 0.30 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 2e5o s LYS 127 Cb 0.01 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2e5o s LYS 127 CO 0.14 0.59 0.66 0.20 -0.92 0.00 0.00 175.35 176.02 2e5o s GLY 128 N -0.50 1.47 0.05 -3.33 0.00 -1.26 -5.04 107.32 98.71 2e5o s GLY 128 Ca 0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 2e5o s GLY 128 CO 0.02 -0.73 0.06 -1.31 0.00 0.00 0.00 173.10 171.14 2e5o s ASN 129 N -4.13 0.27 0.00 1.64 -0.87 -1.26 -4.88 114.94 105.71 2e5o s ASN 129 Ca 0.45 -0.69 0.15 0.00 -1.57 0.00 0.00 52.86 51.20 2e5o s ASN 129 Cb -0.10 0.22 0.84 0.00 -0.02 0.00 0.00 41.25 42.19 2e5o s ASN 129 CO 0.39 -0.55 1.38 -0.81 -2.57 0.00 0.00 177.10 174.95 2e5o n PRO 130 N 0.53 0.34 -2.91 -0.60 -0.04 -1.26 -4.07 135.00 126.98 2e5o n PRO 130 Ca -0.17 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 2e5o n PRO 130 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2e5o n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2e5o n LYS 131 N -1.15 0.55 -3.10 0.54 4.76 -1.26 -4.97 118.16 113.54 2e5o n LYS 131 Ca 0.09 -1.33 -0.38 0.00 -2.87 0.00 0.00 58.31 53.83 2e5o n LYS 131 Cb 0.09 0.86 -0.06 0.00 -1.84 0.00 0.00 35.03 34.08 2e5o n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2e5o s ILE 132 N -2.29 4.53 -0.15 -0.18 1.01 -1.26 -4.49 121.20 118.38 2e5o s ILE 132 Ca 0.11 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 62.10 2e5o s ILE 132 Cb 0.01 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.57 2e5o s ILE 132 CO 0.08 0.39 0.34 -1.66 0.00 0.00 0.00 174.94 174.08 2e5o s TRP 133 N -1.31 -0.52 0.11 3.97 1.48 -1.22 -5.03 118.94 116.42 2e5o s TRP 133 Ca 0.38 1.12 -0.34 0.00 -1.06 0.00 0.00 56.10 56.20 2e5o s TRP 133 Cb -0.19 0.16 -0.13 0.00 -1.16 0.00 0.00 33.47 32.14 2e5o s TRP 133 CO 0.22 -0.33 1.66 1.17 -4.06 0.00 0.00 176.95 175.61 2e5o n LYS 134 N 4.56 2.22 -0.87 3.25 4.81 -1.26 -3.53 118.16 127.34 2e5o n LYS 134 Ca -0.20 0.80 -0.29 0.00 -0.87 0.00 0.00 58.31 57.76 2e5o n LYS 134 Cb 0.53 -2.60 0.20 0.00 0.02 0.00 0.00 35.03 33.18 2e5o n LYS 134 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2e5o s LEU 135 N 1.65 1.46 -0.01 3.14 1.43 -1.24 -4.94 118.68 120.17 2e5o s LEU 135 Ca 0.81 1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2e5o s LEU 135 Cb -0.66 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2e5o s LEU 135 CO 0.40 -3.52 1.25 -0.62 0.23 0.00 0.00 176.35 174.09 2e5o s ASP 136 N -2.99 7.00 0.26 2.29 2.15 -1.26 -4.81 116.67 119.32 2e5o s ASP 136 Ca 0.66 1.95 0.11 0.00 0.43 0.00 0.00 52.55 55.70 2e5o s ASP 136 Cb -0.22 -2.56 0.86 0.00 -0.30 0.00 0.00 42.92 40.70 2e5o s ASP 136 CO 0.61 -0.59 1.18 -1.20 -0.17 0.00 0.00 175.17 174.99 2e5o n SER 137 N 4.91 0.15 -0.05 -0.34 7.64 -1.26 0.21 113.62 124.88 2e5o n SER 137 Ca 0.11 1.25 -0.14 0.00 1.01 0.00 0.00 58.87 61.10 2e5o n SER 137 Cb 0.45 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2e5o n SER 137 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e5o h LYS 138 N 0.00 0.44 -0.81 1.43 1.79 -2.02 -3.23 116.57 114.16 2e5o h LYS 138 Ca 0.57 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 2e5o h LYS 138 Cb 1.43 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 32.09 2e5o h LYS 138 CO -0.62 0.90 0.45 0.82 -1.08 0.00 0.00 179.45 179.93 2e5o h ILE 139 N 0.04 1.24 -0.27 1.86 1.08 0.22 -3.07 117.51 118.61 2e5o h ILE 139 Ca 0.00 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 2e5o h ILE 139 Cb 0.90 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 2e5o h ILE 139 CO 0.07 0.26 -0.27 -0.74 -0.69 0.00 0.00 178.15 176.78 2e5o h HIS 140 N 1.13 -0.85 0.00 1.37 2.76 -0.47 -0.15 115.15 118.94 2e5o h HIS 140 Ca 0.29 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 2e5o h HIS 140 Cb 0.02 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2e5o h HIS 140 CO 0.00 -0.22 -0.10 1.96 -1.30 0.00 0.00 177.93 178.27 2e5o h GLN 141 N -0.14 -0.12 -0.78 5.26 4.20 -1.62 -1.55 115.11 120.36 2e5o h GLN 141 Ca 0.05 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.88 2e5o h GLN 141 Cb 0.26 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.95 2e5o h GLN 141 CO -0.33 -0.08 -0.32 0.41 -0.67 0.00 0.00 178.83 177.84 2e5o n GLY 142 N -1.09 -1.64 0.36 3.46 0.00 -1.10 0.22 105.19 105.41 2e5o n GLY 142 Ca -0.01 0.87 0.08 0.00 0.00 0.00 0.00 46.02 46.96 2e5o n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o h ALA 143 N 1.00 1.70 0.00 4.61 0.00 -0.64 0.26 119.26 126.19 2e5o h ALA 143 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2e5o h ALA 143 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2e5o h ALA 143 CO -0.77 0.13 0.00 0.87 0.00 0.00 0.00 179.25 179.49 2e5o h LYS 144 N 0.81 0.00 0.03 0.00 1.57 0.37 -3.10 116.57 116.25 2e5o h LYS 144 Ca 0.39 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.84 2e5o h LYS 144 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2e5o h LYS 144 CO -0.15 0.00 -1.78 1.63 -0.57 0.00 0.00 179.45 178.57 2e5o n LYS 145 N -2.31 0.62 -0.00 3.15 4.76 0.78 -4.18 118.16 120.98 2e5o n LYS 145 Ca 0.02 0.41 0.18 0.00 -2.87 0.00 0.00 58.31 56.05 2e5o n LYS 145 Cb 0.21 -1.67 0.34 0.00 -1.84 0.00 0.00 35.03 32.07 2e5o n LYS 145 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2e5o h GLY 146 N -0.32 0.00 -3.10 0.72 0.00 -1.14 0.96 103.07 100.19 2e5o h GLY 146 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2e5o h GLY 146 CO -0.18 0.00 0.13 1.04 0.00 0.00 0.00 176.54 177.52 2e5o n LEU 147 N -3.04 5.59 -0.09 3.11 4.77 -1.25 -2.58 117.00 123.51 2e5o n LEU 147 Ca 0.14 -2.64 -0.11 0.00 -0.03 0.00 0.00 56.01 53.37 2e5o n LEU 147 Cb 1.26 -1.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 2e5o n LEU 147 CO 0.16 1.05 -1.11 1.15 -1.33 0.00 0.00 177.39 177.31 2e5o n MET 148 N 1.10 0.97 -3.43 3.23 0.00 0.33 -4.77 117.12 114.55 2e5o n MET 148 Ca 0.09 0.04 -0.26 0.00 0.00 0.00 0.00 57.70 57.57 2e5o n MET 148 Cb 0.53 -1.44 -0.09 0.00 0.00 0.00 0.00 33.22 32.22 2e5o n MET 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2e5o n LYS 149 N -2.82 1.15 -1.41 3.17 5.02 -1.25 -5.12 118.16 116.92 2e5o n LYS 149 Ca -0.32 -3.76 -0.30 0.00 -2.02 0.00 0.00 58.31 51.92 2e5o n LYS 149 Cb 1.00 -1.77 0.21 0.00 -0.02 0.00 0.00 35.03 34.45 2e5o n LYS 149 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2e5o s GLN 150 N -1.15 -0.37 0.88 1.97 -1.52 -1.26 -4.67 119.66 113.55 2e5o s GLN 150 Ca 0.33 -0.15 -0.10 0.00 -1.95 0.00 0.00 55.36 53.49 2e5o s GLN 150 Cb 0.09 -1.70 0.13 0.00 -0.22 0.00 0.00 33.01 31.30 2e5o s GLN 150 CO -0.13 -3.13 1.14 -0.80 -0.25 0.00 0.00 175.29 172.12 2e5o s ASN 151 N -4.24 3.20 0.32 5.90 0.01 -1.26 -4.92 114.94 113.95 2e5o s ASN 151 Ca 0.71 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 55.04 2e5o s ASN 151 Cb -0.08 -2.56 0.54 0.00 0.41 0.00 0.00 41.25 39.56 2e5o s ASN 151 CO 0.55 -2.92 1.84 0.11 -1.51 0.00 0.00 177.10 175.17 2e5o h LYS 152 N -1.69 0.56 0.58 -0.60 6.56 -2.03 -3.14 116.57 116.79 2e5o h LYS 152 Ca -0.43 -0.13 -0.03 0.00 -1.06 0.00 0.00 60.65 59.00 2e5o h LYS 152 Cb 1.26 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2e5o h LYS 152 CO 0.43 0.61 -0.28 0.00 -2.06 0.00 0.00 179.45 178.15 2e5o h ALA 153 N 1.44 -0.77 -0.03 3.86 0.00 -2.02 -3.57 119.26 118.17 2e5o h ALA 153 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2e5o h ALA 153 Cb 0.39 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2e5o h ALA 153 CO 0.02 -0.83 0.00 1.55 0.00 0.00 0.00 179.25 179.99