#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n n SER 2 N 0.00 -4.56 -0.09 1.61 7.64 -1.26 -4.89 113.62 112.08 2e7n n SER 2 Ca 0.00 -0.76 -0.18 0.00 1.01 0.00 0.00 58.87 58.94 2e7n n SER 2 Cb 0.00 -4.04 -0.06 0.00 -1.01 0.00 0.00 64.21 59.10 2e7n n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2e7n n SER 3 N -2.88 1.56 0.00 6.43 7.64 -1.26 -5.14 113.62 119.96 2e7n n SER 3 Ca -0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2e7n n SER 3 Cb 0.55 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2e7n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7n n GLY 4 N 1.77 -0.31 3.58 0.23 0.00 -1.26 -5.16 105.19 104.03 2e7n n GLY 4 Ca -0.32 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2e7n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7n s SER 5 N -4.00 -0.26 0.95 1.61 0.01 -1.26 -5.11 113.70 105.63 2e7n s SER 5 Ca 0.00 -0.52 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 2e7n s SER 5 Cb 0.00 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 2e7n s SER 5 CO 0.00 -1.11 0.00 -1.20 0.41 0.00 0.00 173.24 171.35 2e7n n SER 6 N -0.37 -3.37 -2.92 2.44 7.64 -1.26 -4.89 113.62 110.88 2e7n n SER 6 Ca -0.09 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 59.96 2e7n n SER 6 Cb 0.62 -1.05 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 2e7n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7n n GLY 7 N 2.18 1.29 0.00 0.23 0.00 -1.26 -5.06 105.19 102.58 2e7n n GLY 7 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2e7n n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7n n GLY 8 N 1.29 1.70 0.00 -0.02 0.00 -1.26 -4.61 105.19 102.29 2e7n n GLY 8 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2e7n n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2e7n n LYS 9 N 0.00 1.52 -4.21 1.61 0.00 -1.26 -5.09 118.16 110.73 2e7n n LYS 9 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 2e7n n LYS 9 Cb 0.00 -0.73 -0.13 0.00 -0.00 0.00 0.00 35.03 34.17 2e7n n LYS 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2e7n s LEU 10 N -2.68 2.16 0.49 -5.58 1.43 -1.26 -4.93 118.68 108.31 2e7n s LEU 10 Ca 0.00 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 2e7n s LEU 10 Cb 0.00 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.77 2e7n s LEU 10 CO 0.00 -0.04 1.09 -0.55 0.23 0.00 0.00 176.35 177.07 2e7n s SER 11 N -1.06 6.16 0.55 2.29 0.15 -1.26 -4.35 113.70 116.18 2e7n s SER 11 Ca -0.02 2.07 0.34 0.00 0.70 0.00 0.00 55.95 59.04 2e7n s SER 11 Cb -0.07 -2.58 1.50 0.00 -1.71 0.00 0.00 66.02 63.16 2e7n s SER 11 CO 0.01 -0.91 1.80 -0.08 1.20 0.00 0.00 173.24 175.26 2e7n h GLU 12 N 1.60 0.00 0.00 5.44 4.81 -1.93 -0.06 114.58 124.43 2e7n h GLU 12 Ca -0.50 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.54 2e7n h GLU 12 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2e7n h GLU 12 CO 0.59 0.00 -1.27 0.72 -0.73 0.00 0.00 179.01 178.32 2e7n n HIS 13 N -4.07 0.77 -0.24 0.92 8.25 -1.26 -4.41 115.22 115.17 2e7n n HIS 13 Ca 0.22 0.33 0.01 0.00 -0.26 0.00 0.00 57.72 58.02 2e7n n HIS 13 Cb 1.14 -0.97 0.08 0.00 1.12 0.00 0.00 29.99 31.36 2e7n n HIS 13 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2e7n h LEU 14 N -1.00 -0.67 -0.94 2.41 3.38 -1.74 0.18 115.31 116.94 2e7n h LEU 14 Ca -0.30 0.21 0.38 0.00 0.09 0.00 0.00 57.88 58.27 2e7n h LEU 14 Cb 1.14 0.44 -0.16 0.00 0.09 0.00 0.00 40.66 42.18 2e7n h LEU 14 CO -0.18 -0.24 0.52 -2.11 0.09 0.00 0.00 178.44 176.53 2e7n n ARG 15 N -5.47 -0.05 -0.04 1.13 1.85 -0.11 0.56 116.66 114.53 2e7n n ARG 15 Ca 0.09 1.23 -0.15 0.00 -1.00 0.00 0.00 57.85 58.03 2e7n n ARG 15 Cb 0.36 -2.23 -0.12 0.00 -1.05 0.00 0.00 32.46 29.42 2e7n n ARG 15 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2e7n h TYR 16 N 0.00 0.12 -0.85 2.89 5.03 -0.86 -3.27 116.97 120.02 2e7n h TYR 16 Ca 0.77 -0.07 0.23 0.00 2.58 0.00 0.00 58.73 62.24 2e7n h TYR 16 Cb 2.09 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 40.32 2e7n h TYR 16 CO -0.01 0.95 0.60 0.00 -1.32 0.00 0.00 178.16 178.38 2e7n h ASP 18 N 0.08 0.00 0.28 0.00 3.58 -0.96 -0.28 116.42 119.12 2e7n h ASP 18 Ca 0.41 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.52 2e7n h ASP 18 Cb 1.51 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.56 2e7n h ASP 18 CO -0.04 0.00 -1.65 0.28 -2.88 0.00 0.00 179.24 174.95 2e7n h SER 19 N 0.00 0.58 -0.29 2.28 0.02 -0.84 -3.23 113.55 112.07 2e7n h SER 19 Ca 0.33 -0.81 0.08 0.00 -0.84 0.00 0.00 61.79 60.56 2e7n h SER 19 Cb 1.36 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2e7n h SER 19 CO -0.00 1.67 0.43 0.40 -1.14 0.00 0.00 176.83 178.19 2e7n h ILE 20 N 0.10 0.26 0.15 3.27 2.04 -1.01 0.32 117.51 122.65 2e7n h ILE 20 Ca -0.30 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.20 2e7n h ILE 20 Cb 2.08 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 2e7n h ILE 20 CO 0.19 0.00 -1.87 0.25 0.00 0.00 0.00 178.15 176.72 2e7n h LEU 21 N 0.00 0.49 -1.34 1.44 5.85 -1.59 -3.28 115.31 116.88 2e7n h LEU 21 Ca 0.14 -0.94 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 2e7n h LEU 21 Cb 0.99 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2e7n h LEU 21 CO -0.00 1.82 0.28 0.08 -0.34 0.00 0.00 178.44 180.28 2e7n h ARG 22 N 0.05 0.73 -0.43 1.25 -0.00 -1.00 -2.42 114.38 112.55 2e7n h ARG 22 Ca -0.39 -0.07 -0.10 0.00 -0.00 0.00 0.00 59.98 59.42 2e7n h ARG 22 Cb 2.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 31.85 2e7n h ARG 22 CO 0.12 0.54 -0.12 1.05 -0.00 0.00 0.00 179.97 181.56 2e7n h GLU 23 N 0.74 0.85 0.00 0.08 4.11 -1.36 -2.43 114.58 116.56 2e7n h GLU 23 Ca 0.19 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2e7n h GLU 23 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2e7n h GLU 23 CO -0.03 0.97 0.00 -1.33 0.07 0.00 0.00 179.01 178.69 2e7n n MET 24 N -4.27 0.09 -0.66 1.06 2.81 -0.94 -1.51 117.12 113.71 2e7n n MET 24 Ca -0.01 0.44 0.02 0.00 -1.81 0.00 0.00 57.70 56.34 2e7n n MET 24 Cb 0.39 -1.72 0.24 0.00 -0.71 0.00 0.00 33.22 31.42 2e7n n MET 24 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2e7n n LEU 25 N -1.90 4.32 -4.66 4.03 4.77 -0.92 -4.65 117.00 117.99 2e7n n LEU 25 Ca 0.01 -3.31 -0.26 0.00 -0.03 0.00 0.00 56.01 52.42 2e7n n LEU 25 Cb 0.13 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2e7n n LEU 25 CO 0.12 0.89 -0.33 -0.44 -1.33 0.00 0.00 177.39 176.30 2e7n s SER 26 N -2.01 4.74 0.45 -1.43 0.01 -0.57 -4.99 113.70 109.90 2e7n s SER 26 Ca 0.45 -0.43 0.31 0.00 1.31 0.00 0.00 55.95 57.59 2e7n s SER 26 Cb 0.38 -0.99 1.43 0.00 0.21 0.00 0.00 66.02 67.05 2e7n s SER 26 CO 0.07 0.08 1.63 0.07 0.41 0.00 0.00 173.24 175.49 2e7n h LYS 27 N 2.59 0.09 -0.01 12.44 -0.00 -1.94 0.26 116.57 130.00 2e7n h LYS 27 Ca -0.47 -0.01 0.03 0.00 -0.00 0.00 0.00 60.65 60.21 2e7n h LYS 27 Cb 1.21 -0.02 -0.05 0.00 -0.00 0.00 0.00 32.23 33.37 2e7n h LYS 27 CO 0.58 0.06 -0.26 0.87 -0.00 0.00 0.00 179.45 180.70 2e7n h LYS 28 N 0.09 -0.38 -1.76 0.07 1.79 -1.94 -2.79 116.57 111.65 2e7n h LYS 28 Ca 0.81 0.03 -0.70 0.00 -2.18 0.00 0.00 60.65 58.60 2e7n h LYS 28 Cb 2.59 0.09 -0.32 0.00 -1.58 0.00 0.00 32.23 33.01 2e7n h LYS 28 CO -0.37 -0.25 0.47 0.72 -1.08 0.00 0.00 179.45 178.93 2e7n n HIS 29 N -5.37 3.12 0.00 -1.35 8.25 0.86 -4.39 115.22 116.34 2e7n n HIS 29 Ca -0.05 -2.60 0.00 0.00 -0.26 0.00 0.00 57.72 54.81 2e7n n HIS 29 Cb 0.29 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.55 2e7n n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2e7n n ALA 30 N -0.55 1.66 0.04 -1.41 0.00 -0.91 -3.78 120.51 115.56 2e7n n ALA 30 Ca 0.50 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.96 2e7n n ALA 30 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2e7n n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7n n ALA 31 N -0.90 2.04 -0.29 0.00 0.00 -1.26 -3.90 120.51 116.21 2e7n n ALA 31 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2e7n n ALA 31 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2e7n n ALA 31 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2e7n n TYR 32 N -2.84 0.00 -1.45 0.00 0.18 -1.26 -4.74 117.16 107.05 2e7n n TYR 32 Ca -0.08 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.77 2e7n n TYR 32 Cb 0.79 0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.94 2e7n n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2e7n n ALA 33 N -0.21 3.27 0.03 -3.48 0.00 -1.25 -3.89 120.51 114.98 2e7n n ALA 33 Ca 0.00 -3.11 -0.08 0.00 0.00 0.00 0.00 53.44 50.25 2e7n n ALA 33 Cb 0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.03 2e7n n ALA 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2e7n h TRP 34 N 0.72 0.00 -0.23 0.00 5.08 -1.76 -3.30 115.95 116.46 2e7n h TRP 34 Ca -0.00 -0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.04 2e7n h TRP 34 Cb 1.00 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 2e7n h TRP 34 CO 0.54 1.00 0.65 -1.35 -1.28 0.00 0.00 178.44 178.00 2e7n h PRO 35 N 0.00 0.00 -0.87 0.12 0.11 -1.91 0.60 132.00 130.04 2e7n h PRO 35 Ca -0.11 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.40 2e7n h PRO 35 Cb 1.86 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 32.60 2e7n h PRO 35 CO 0.11 0.00 -0.12 1.19 -0.21 0.00 0.00 178.00 178.97 2e7n n PHE 36 N -3.02 2.96 -0.06 0.65 3.01 -1.24 -4.63 117.46 115.13 2e7n n PHE 36 Ca 0.04 -2.56 -0.13 0.00 1.01 0.00 0.00 57.45 55.81 2e7n n PHE 36 Cb 0.75 -0.79 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 2e7n n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2e7n n TYR 37 N -0.79 0.00 -3.60 1.38 4.02 0.21 -3.49 117.16 114.89 2e7n n TYR 37 Ca 0.52 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 58.11 2e7n n TYR 37 Cb 0.83 -0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 39.66 2e7n n TYR 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2e7n s LYS 38 N -2.36 3.61 0.29 -0.72 1.02 -1.26 -4.47 119.74 115.86 2e7n s LYS 38 Ca -0.20 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 2e7n s LYS 38 Cb 0.06 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 34.48 2e7n s LYS 38 CO 0.26 0.39 1.24 -1.25 -0.92 0.00 0.00 175.35 175.08 2e7n s PRO 39 N -2.98 4.45 0.06 -1.68 0.04 -1.26 -4.99 135.00 128.64 2e7n s PRO 39 Ca 0.42 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 2e7n s PRO 39 Cb -0.12 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2e7n s PRO 39 CO 0.26 -0.07 0.90 0.54 0.04 0.00 0.00 177.00 178.67 2e7n s VAL 40 N -0.92 4.65 -0.29 -0.36 0.11 -1.26 -5.04 120.40 117.29 2e7n s VAL 40 Ca 0.49 1.93 0.01 0.00 -2.93 0.00 0.00 61.98 61.48 2e7n s VAL 40 Cb -0.37 -4.26 0.09 0.00 -1.53 0.00 0.00 36.38 30.31 2e7n s VAL 40 CO 0.47 0.30 0.03 -0.62 -3.33 0.00 0.00 175.10 171.95 2e7n s ASP 41 N 0.22 4.16 0.14 3.54 2.15 -1.26 -5.01 116.67 120.61 2e7n s ASP 41 Ca 0.45 -1.63 -0.21 0.00 0.43 0.00 0.00 52.55 51.59 2e7n s ASP 41 Cb -0.22 -1.18 -0.00 0.00 -0.30 0.00 0.00 42.92 41.21 2e7n s ASP 41 CO 0.27 -0.35 1.67 0.00 -0.17 0.00 0.00 175.17 176.60 2e7n h ALA 42 N 7.91 -0.00 0.14 3.66 0.00 -1.92 0.75 119.26 129.79 2e7n h ALA 42 Ca -0.12 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2e7n h ALA 42 Cb 1.04 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2e7n h ALA 42 CO 0.46 -0.57 -0.43 0.93 0.00 0.00 0.00 179.25 179.65 2e7n h GLU 43 N -0.14 -0.62 0.08 0.00 3.07 -1.95 -2.96 114.58 112.07 2e7n h GLU 43 Ca 0.11 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 2e7n h GLU 43 Cb 0.30 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 2e7n h GLU 43 CO -0.27 -0.41 -0.41 0.00 -1.40 0.00 0.00 179.01 176.52 2e7n h ALA 44 N -0.78 -0.70 -2.39 3.43 0.00 -1.95 -3.43 119.26 113.44 2e7n h ALA 44 Ca -0.01 -0.06 -0.46 0.00 0.00 0.00 0.00 54.91 54.38 2e7n h ALA 44 Cb 0.63 0.70 0.15 0.00 0.00 0.00 0.00 17.79 19.27 2e7n h ALA 44 CO -0.21 -0.96 0.22 -0.51 0.00 0.00 0.00 179.25 177.79 2e7n s LEU 45 N -10.30 1.72 -1.02 0.00 1.02 0.24 -4.96 118.68 105.39 2e7n s LEU 45 Ca -0.16 1.15 -0.15 0.00 0.02 0.00 0.00 54.13 54.99 2e7n s LEU 45 Cb 0.08 -3.38 0.18 0.00 0.02 0.00 0.00 46.19 43.10 2e7n s LEU 45 CO 0.63 -2.98 1.14 -1.83 0.02 0.00 0.00 176.35 173.33 2e7n s GLU 46 N -5.04 3.83 -0.22 1.70 -1.05 -1.26 -4.79 118.70 111.88 2e7n s GLU 46 Ca 0.65 -2.37 -0.04 0.00 -0.15 0.00 0.00 54.97 53.06 2e7n s GLU 46 Cb -0.18 -4.80 0.09 0.00 -0.44 0.00 0.00 34.13 28.81 2e7n s GLU 46 CO 0.57 -1.59 0.18 -0.51 0.95 0.00 0.00 175.26 174.86 2e7n s LEU 47 N 1.22 0.09 0.03 1.83 1.43 -1.26 -5.04 118.68 116.98 2e7n s LEU 47 Ca 0.32 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 2e7n s LEU 47 Cb -0.06 0.12 -0.17 0.00 0.03 0.00 0.00 46.19 46.12 2e7n s LEU 47 CO -0.07 -0.36 1.30 -0.74 0.23 0.00 0.00 176.35 176.71 2e7n h HIS 48 N 8.35 -0.64 -3.19 0.29 2.76 -1.91 -3.40 115.15 117.40 2e7n h HIS 48 Ca -0.16 -0.02 -0.63 0.00 -2.20 0.00 0.00 60.37 57.36 2e7n h HIS 48 Cb 1.12 0.21 -0.41 0.00 1.55 0.00 0.00 27.41 29.89 2e7n h HIS 48 CO 0.18 -0.32 -0.68 -0.51 -1.30 0.00 0.00 177.93 175.30 2e7n s ASP 49 N -4.72 4.00 -0.27 3.26 1.01 -1.26 -4.92 116.67 113.77 2e7n s ASP 49 Ca -0.15 -2.83 -0.08 0.00 0.71 0.00 0.00 52.55 50.20 2e7n s ASP 49 Cb 0.02 -1.35 -0.14 0.00 1.01 0.00 0.00 42.92 42.46 2e7n s ASP 49 CO 0.53 -0.25 -0.28 0.00 0.21 0.00 0.00 175.17 175.38 2e7n n TYR 50 N 3.31 0.05 -0.14 4.23 9.36 -1.26 -4.36 117.16 128.34 2e7n n TYR 50 Ca 0.07 0.02 -0.11 0.00 3.32 0.00 0.00 57.90 61.20 2e7n n TYR 50 Cb 0.33 -1.01 -0.01 0.00 -0.63 0.00 0.00 39.34 38.02 2e7n n TYR 50 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2e7n h HIS 51 N -0.60 0.83 -0.58 2.98 3.86 -1.91 -1.33 115.15 118.40 2e7n h HIS 51 Ca -0.64 -0.16 0.10 0.00 -1.16 0.00 0.00 60.37 58.51 2e7n h HIS 51 Cb 1.73 -0.21 -0.11 0.00 1.06 0.00 0.00 27.41 29.87 2e7n h HIS 51 CO -0.04 0.84 -0.33 -0.44 0.86 0.00 0.00 177.93 178.82 2e7n h ASP 52 N 0.58 -1.14 -0.14 2.45 5.19 -1.93 -0.84 116.42 120.59 2e7n h ASP 52 Ca 0.11 0.22 -0.19 0.00 -0.62 0.00 0.00 57.03 56.56 2e7n h ASP 52 Cb 0.53 0.57 0.00 0.00 0.18 0.00 0.00 39.33 40.61 2e7n h ASP 52 CO 0.03 -0.30 -0.60 0.40 -3.12 0.00 0.00 179.24 175.64 2e7n h ILE 53 N -0.16 1.29 -3.34 0.35 2.04 -1.75 -3.39 117.51 112.55 2e7n h ILE 53 Ca 0.23 -1.82 -0.77 0.00 1.00 0.00 0.00 64.86 63.50 2e7n h ILE 53 Cb 0.55 1.76 -0.25 0.00 -0.74 0.00 0.00 36.82 38.14 2e7n h ILE 53 CO -0.67 0.58 -0.13 -0.63 0.00 0.00 0.00 178.15 177.30 2e7n s ILE 54 N -3.99 5.26 0.19 -0.67 -1.09 -0.33 -4.94 121.20 115.63 2e7n s ILE 54 Ca -0.09 -1.84 -0.08 0.00 -2.23 0.00 0.00 60.65 56.40 2e7n s ILE 54 Cb 0.10 -4.34 0.27 0.00 -1.58 0.00 0.00 42.46 36.91 2e7n s ILE 54 CO 0.88 -0.92 1.11 0.29 -1.23 0.00 0.00 174.94 175.08 2e7n n LYS 55 N 4.80 -0.11 -3.62 2.79 4.76 -1.20 -4.25 118.16 121.33 2e7n n LYS 55 Ca -0.05 1.11 -0.05 0.00 -2.87 0.00 0.00 58.31 56.46 2e7n n LYS 55 Cb 0.42 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.89 2e7n n LYS 55 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2e7n s HIS 56 N -5.81 -1.06 0.37 2.13 3.76 -1.26 -4.95 115.29 108.46 2e7n s HIS 56 Ca -0.10 1.84 -0.27 0.00 -0.15 0.00 0.00 55.06 56.38 2e7n s HIS 56 Cb 0.17 0.51 -0.09 0.00 1.11 0.00 0.00 32.58 34.29 2e7n s HIS 56 CO 0.54 -0.58 1.20 -1.25 -0.85 0.00 0.00 174.74 173.80 2e7n s PRO 57 N 2.74 4.19 0.22 8.40 0.04 -1.26 -4.95 135.00 144.37 2e7n s PRO 57 Ca -0.02 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2e7n s PRO 57 Cb -0.12 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 2e7n s PRO 57 CO -0.16 -0.24 -0.06 1.41 0.04 0.00 0.00 177.00 177.99 2e7n s MET 58 N -2.07 1.31 0.04 4.56 1.75 -1.26 -5.07 119.30 118.56 2e7n s MET 58 Ca 0.54 -1.63 -0.27 0.00 -1.25 0.00 0.00 55.69 53.08 2e7n s MET 58 Cb -0.34 -0.82 0.08 0.00 2.84 0.00 0.00 34.83 36.60 2e7n s MET 58 CO 0.43 0.03 0.74 0.16 -0.65 0.00 0.00 175.02 175.72 2e7n s ASP 59 N -3.30 -0.51 0.28 1.11 -4.77 -1.26 -4.87 116.67 103.36 2e7n s ASP 59 Ca 0.25 0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.67 2e7n s ASP 59 Cb 0.03 0.50 0.44 0.00 -1.09 0.00 0.00 42.92 42.80 2e7n s ASP 59 CO 0.07 -0.74 1.91 -0.07 0.70 0.00 0.00 175.17 177.05 2e7n h LEU 60 N 2.26 0.99 -0.67 2.11 3.38 -1.88 -2.20 115.31 119.29 2e7n h LEU 60 Ca -0.28 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.82 2e7n h LEU 60 Cb 1.24 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 2e7n h LEU 60 CO 0.35 0.66 0.20 -1.28 0.09 0.00 0.00 178.44 178.46 2e7n h SER 61 N 1.14 0.10 -0.10 -0.43 0.87 -1.80 0.24 113.55 113.56 2e7n h SER 61 Ca 0.39 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 2e7n h SER 61 Cb 0.09 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2e7n h SER 61 CO -0.13 0.04 0.04 0.74 -0.53 0.00 0.00 176.83 176.98 2e7n h THR 62 N 0.33 1.14 -0.34 2.23 2.02 -1.80 -2.33 112.91 114.16 2e7n h THR 62 Ca 0.36 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 67.17 2e7n h THR 62 Cb 0.56 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 2e7n h THR 62 CO -0.42 0.13 0.06 0.58 0.37 0.00 0.00 175.52 176.24 2e7n h VAL 63 N 0.01 0.82 -0.63 3.16 2.07 -1.11 -1.26 116.25 119.30 2e7n h VAL 63 Ca 0.03 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2e7n h VAL 63 Cb 0.16 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2e7n h VAL 63 CO -0.00 0.03 0.42 0.50 0.02 0.00 0.00 177.57 178.54 2e7n h LYS 64 N 0.17 0.60 -0.10 1.57 3.64 -0.89 -1.00 116.57 120.57 2e7n h LYS 64 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2e7n h LYS 64 Cb 0.18 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2e7n h LYS 64 CO -0.22 0.40 0.03 0.00 -2.27 0.00 0.00 179.45 177.39 2e7n h ARG 65 N 0.62 0.15 0.48 1.90 2.47 -0.68 0.71 114.38 120.03 2e7n h ARG 65 Ca 0.27 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2e7n h ARG 65 Cb 0.29 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2e7n h ARG 65 CO -0.08 0.32 -0.23 0.87 0.56 0.00 0.00 179.97 181.40 2e7n h LYS 66 N -0.04 -0.62 -0.83 0.04 1.57 -0.80 -2.83 116.57 113.06 2e7n h LYS 66 Ca 0.03 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2e7n h LYS 66 Cb 0.23 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2e7n h LYS 66 CO -0.00 -0.36 0.49 1.98 -0.57 0.00 0.00 179.45 180.99 2e7n h MET 67 N -0.78 0.82 -1.00 3.15 4.05 -1.24 0.17 114.93 120.11 2e7n h MET 67 Ca -0.07 -0.05 0.17 0.00 -0.28 0.00 0.00 59.70 59.48 2e7n h MET 67 Cb 0.56 -0.19 -0.10 0.00 -0.80 0.00 0.00 31.60 31.07 2e7n h MET 67 CO 0.11 0.55 0.62 -0.44 0.23 0.00 0.00 176.91 177.97 2e7n h ASP 68 N 0.85 0.79 -0.84 1.39 3.32 -0.73 0.95 116.42 122.16 2e7n h ASP 68 Ca 0.39 0.08 -0.35 0.00 0.02 0.00 0.00 57.03 57.16 2e7n h ASP 68 Cb 0.29 -0.07 -0.21 0.00 0.22 0.00 0.00 39.33 39.56 2e7n h ASP 68 CO -0.22 0.33 0.43 0.61 -1.72 0.00 0.00 179.24 178.67 2e7n n GLY 69 N -1.35 4.12 4.24 2.75 0.00 -0.49 -4.91 105.19 109.54 2e7n n GLY 69 Ca 0.22 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2e7n n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7n n ARG 70 N -0.67 -2.60 0.07 1.61 5.12 0.33 -4.84 116.66 115.68 2e7n n ARG 70 Ca 0.49 0.32 -0.19 0.00 -1.93 0.00 0.00 57.85 56.54 2e7n n ARG 70 Cb 1.51 -4.80 -0.10 0.00 -1.16 0.00 0.00 32.46 27.91 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e7n h GLU 71 N -1.49 0.59 -6.46 5.56 5.08 -0.92 -3.45 114.58 113.50 2e7n h GLU 71 Ca -0.61 -0.70 -0.53 0.00 -1.00 0.00 0.00 59.36 56.53 2e7n h GLU 71 Cb 1.38 0.21 0.03 0.00 0.50 0.00 0.00 28.75 30.87 2e7n h GLU 71 CO 0.77 1.29 1.09 0.71 -1.00 0.00 0.00 179.01 181.87 2e7n s TYR 72 N -3.16 2.11 0.11 4.33 2.02 -1.26 -4.91 117.35 116.59 2e7n s TYR 72 Ca -0.08 0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.52 2e7n s TYR 72 Cb 0.07 -4.10 -0.08 0.00 -0.40 0.00 0.00 41.96 37.45 2e7n s TYR 72 CO 0.91 -4.58 1.43 -1.00 -1.57 0.00 0.00 175.55 170.74 2e7n h PRO 73 N 8.83 0.75 -3.49 -1.71 0.13 -1.96 -3.48 132.00 131.07 2e7n h PRO 73 Ca -0.45 -0.39 -0.03 0.00 -0.87 0.00 0.00 66.00 64.26 2e7n h PRO 73 Cb 1.21 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2e7n h PRO 73 CO 0.94 1.02 -0.04 -0.51 -0.23 0.00 0.00 178.00 179.18 2e7n s ASP 74 N -6.60 -0.14 0.30 1.44 1.01 -1.26 -4.79 116.67 106.63 2e7n s ASP 74 Ca -0.12 -0.83 0.05 0.00 0.71 0.00 0.00 52.55 52.36 2e7n s ASP 74 Cb 0.09 0.61 0.77 0.00 1.01 0.00 0.00 42.92 45.41 2e7n s ASP 74 CO 0.84 -1.18 1.70 0.00 0.21 0.00 0.00 175.17 176.74 2e7n h ALA 75 N 2.20 1.52 -0.75 5.23 0.00 -1.92 0.14 119.26 125.67 2e7n h ALA 75 Ca -0.25 0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2e7n h ALA 75 Cb 1.25 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 2e7n h ALA 75 CO 0.33 -0.35 0.30 1.96 0.00 0.00 0.00 179.25 181.49 2e7n h GLN 76 N 0.42 0.42 -0.03 0.00 1.08 -1.99 -0.86 115.11 114.15 2e7n h GLN 76 Ca 0.58 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.75 2e7n h GLN 76 Cb 1.12 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2e7n h GLN 76 CO -0.53 0.28 0.01 0.78 -0.95 0.00 0.00 178.83 178.42 2e7n h GLY 77 N 0.43 0.06 0.40 3.46 0.00 -1.14 0.35 103.07 106.63 2e7n h GLY 77 Ca 0.42 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.79 2e7n h GLY 77 CO -0.41 0.04 0.13 -2.75 0.00 0.00 0.00 176.54 173.55 2e7n h PHE 78 N -0.19 0.22 -0.17 5.60 3.57 -1.05 -2.41 116.94 122.51 2e7n h PHE 78 Ca 0.01 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 2e7n h PHE 78 Cb 0.26 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2e7n h PHE 78 CO 0.01 0.03 -0.43 0.00 -2.23 0.00 0.00 178.31 175.69 2e7n h ALA 79 N 1.38 0.27 -0.93 2.41 0.00 -1.14 -3.20 119.26 118.05 2e7n h ALA 79 Ca 0.25 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2e7n h ALA 79 Cb 0.32 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 2e7n h ALA 79 CO -0.30 0.40 -0.51 0.00 0.00 0.00 0.00 179.25 178.83 2e7n n ALA 80 N -2.53 -0.50 0.44 0.00 0.00 0.12 -0.75 120.51 117.30 2e7n n ALA 80 Ca -0.07 0.82 -0.20 0.00 0.00 0.00 0.00 53.44 53.99 2e7n n ALA 80 Cb 0.55 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 2e7n n ALA 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2e7n h ASP 81 N 0.00 -1.23 -0.96 0.00 5.19 -1.60 -2.86 116.42 114.96 2e7n h ASP 81 Ca 0.18 0.07 0.21 0.00 -0.62 0.00 0.00 57.03 56.87 2e7n h ASP 81 Cb 0.41 0.36 -0.18 0.00 0.18 0.00 0.00 39.33 40.10 2e7n h ASP 81 CO -0.88 -0.76 -0.18 0.52 -3.12 0.00 0.00 179.24 174.82 2e7n n VAL 82 N -5.63 -0.40 0.09 -1.35 0.31 -0.44 -0.68 118.33 110.23 2e7n n VAL 82 Ca -0.15 2.19 -0.15 0.00 -0.01 0.00 0.00 64.34 66.22 2e7n n VAL 82 Cb 0.50 -3.06 -0.09 0.00 -0.91 0.00 0.00 33.84 30.28 2e7n n VAL 82 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2e7n h ARG 83 N 0.00 -0.64 -0.95 5.55 3.08 -0.71 -2.07 114.38 118.64 2e7n h ARG 83 Ca 0.49 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.78 2e7n h ARG 83 Cb 0.82 0.15 -0.18 0.00 0.08 0.00 0.00 29.97 30.84 2e7n h ARG 83 CO -0.97 -0.43 -0.20 1.25 -1.07 0.00 0.00 179.97 178.55 2e7n h LEU 84 N -0.66 -0.82 -0.43 3.04 5.85 -0.77 0.23 115.31 121.75 2e7n h LEU 84 Ca -0.00 0.28 0.05 0.00 0.84 0.00 0.00 57.88 59.05 2e7n h LEU 84 Cb 0.67 0.57 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2e7n h LEU 84 CO -0.26 -0.32 -0.50 -0.03 -0.34 0.00 0.00 178.44 176.99 2e7n h MET 85 N 0.00 -0.29 0.00 1.25 4.05 -1.03 0.91 114.93 119.82 2e7n h MET 85 Ca 0.47 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 2e7n h MET 85 Cb 0.76 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2e7n h MET 85 CO -0.96 -0.20 0.00 1.19 0.23 0.00 0.00 176.91 177.17 2e7n n PHE 86 N -5.05 0.68 -0.07 1.39 3.72 -0.06 -1.76 117.46 116.30 2e7n n PHE 86 Ca -0.02 0.32 -0.10 0.00 -0.05 0.00 0.00 57.45 57.59 2e7n n PHE 86 Cb 0.29 -1.01 -0.09 0.00 -0.94 0.00 0.00 39.48 37.73 2e7n n PHE 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2e7n h SER 87 N 0.00 0.00 0.25 4.37 0.87 0.20 -3.34 113.55 115.90 2e7n h SER 87 Ca 0.00 -0.69 -0.07 0.00 -1.23 0.00 0.00 61.79 59.80 2e7n h SER 87 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2e7n h SER 87 CO 0.00 0.87 -0.30 -0.55 -0.53 0.00 0.00 176.83 176.32 2e7n h ASN 88 N -1.00 0.07 -0.58 6.23 7.08 -0.37 -2.21 115.58 124.80 2e7n h ASN 88 Ca -0.01 -0.02 0.08 0.00 -3.08 0.00 0.00 56.30 53.27 2e7n h ASN 88 Cb 0.71 -0.02 -0.10 0.00 -2.08 0.00 0.00 38.32 36.83 2e7n h ASN 88 CO -0.01 0.37 -0.46 0.00 -2.08 0.00 0.00 177.43 175.25 2e7n h TYR 90 N -0.24 0.79 -1.15 0.00 0.05 -1.70 -2.18 116.97 112.55 2e7n h TYR 90 Ca 0.16 -0.56 0.33 0.00 0.05 0.00 0.00 58.73 58.71 2e7n h TYR 90 Cb 0.56 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 38.16 2e7n h TYR 90 CO -0.73 1.43 0.74 -0.22 -1.05 0.00 0.00 178.16 178.33 2e7n h LYS 91 N 0.13 0.25 0.00 4.88 3.11 -0.73 -3.15 116.57 121.06 2e7n h LYS 91 Ca -0.20 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2e7n h LYS 91 Cb 2.05 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.23 2e7n h LYS 91 CO 0.24 0.17 -0.36 0.98 -2.81 0.00 0.00 179.45 177.67 2e7n n TYR 92 N -4.63 0.11 -1.78 1.91 9.36 -0.33 -4.97 117.16 116.82 2e7n n TYR 92 Ca 0.30 0.05 -0.41 0.00 3.32 0.00 0.00 57.90 61.15 2e7n n TYR 92 Cb 1.09 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 39.53 2e7n n TYR 92 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2e7n s ASN 93 N -4.70 6.23 0.94 2.98 0.01 -0.82 -4.99 114.94 114.59 2e7n s ASN 93 Ca -0.11 3.05 -0.12 0.00 -0.71 0.00 0.00 52.86 54.98 2e7n s ASN 93 Cb 0.01 -2.67 0.15 0.00 0.41 0.00 0.00 41.25 39.16 2e7n s ASN 93 CO 0.16 -0.95 1.09 -2.16 -1.51 0.00 0.00 177.10 173.73 2e7n s PRO 94 N -2.18 0.94 0.00 -0.60 0.04 -1.26 -4.55 135.00 127.39 2e7n s PRO 94 Ca 0.55 0.70 0.15 0.00 0.04 0.00 0.00 61.00 62.44 2e7n s PRO 94 Cb -0.46 -1.78 0.89 0.00 0.04 0.00 0.00 34.50 33.18 2e7n s PRO 94 CO 0.63 -2.43 1.36 -0.35 0.04 0.00 0.00 177.00 176.24 2e7n n PRO 95 N -3.99 0.42 -0.12 0.56 -0.04 -1.26 -2.70 135.00 127.86 2e7n n PRO 95 Ca 0.06 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2e7n n PRO 95 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2e7n n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2e7n n ASP 96 N -1.06 1.99 -3.45 3.54 8.00 -1.26 -4.96 116.55 119.34 2e7n n ASP 96 Ca 0.11 -0.12 -0.49 0.00 0.71 0.00 0.00 54.79 55.00 2e7n n ASP 96 Cb 0.07 -0.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2e7n n HIS 97 N -3.29 1.15 -0.14 1.24 -0.00 -1.10 -4.78 115.22 108.30 2e7n n HIS 97 Ca -0.46 0.75 -0.03 0.00 0.46 0.00 0.00 57.72 58.45 2e7n n HIS 97 Cb 0.99 -1.71 0.04 0.00 -0.12 0.00 0.00 29.99 29.19 2e7n n HIS 97 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 2e7n h GLU 98 N 5.05 0.05 -1.17 1.57 4.11 -1.93 -0.50 114.58 121.77 2e7n h GLU 98 Ca -0.23 -0.00 0.41 0.00 0.07 0.00 0.00 59.36 59.61 2e7n h GLU 98 Cb 1.06 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.15 2e7n h GLU 98 CO 0.78 0.04 0.71 -0.24 0.07 0.00 0.00 179.01 180.36 2e7n h VAL 99 N 0.05 0.11 -0.66 -1.06 3.04 -1.98 0.55 116.25 116.31 2e7n h VAL 99 Ca 0.23 -0.03 0.12 0.00 -1.01 0.00 0.00 66.70 66.00 2e7n h VAL 99 Cb 0.34 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.54 2e7n h VAL 99 CO -0.42 0.02 0.20 0.58 -1.01 0.00 0.00 177.57 176.94 2e7n h VAL 100 N 0.10 0.66 -0.86 1.51 2.07 -1.42 0.34 116.25 118.66 2e7n h VAL 100 Ca 0.82 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 68.31 2e7n h VAL 100 Cb 2.32 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 2e7n h VAL 100 CO -0.56 0.06 0.51 0.00 0.02 0.00 0.00 177.57 177.60 2e7n h ALA 101 N 1.50 1.23 -0.08 1.67 0.00 0.00 -1.14 119.26 122.42 2e7n h ALA 101 Ca 0.35 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 2e7n h ALA 101 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2e7n h ALA 101 CO -0.39 0.17 -0.57 0.52 0.00 0.00 0.00 179.25 178.98 2e7n h MET 102 N 0.87 0.27 -0.61 0.00 2.86 -1.11 -3.17 114.93 114.04 2e7n h MET 102 Ca 0.41 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 2e7n h MET 102 Cb 0.33 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.94 2e7n h MET 102 CO -0.23 0.77 0.25 0.00 1.06 0.00 0.00 176.91 178.76 2e7n h ALA 103 N 1.20 0.79 -0.06 6.32 0.00 0.29 -2.34 119.26 125.45 2e7n h ALA 103 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2e7n h ALA 103 Cb 1.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2e7n h ALA 103 CO 0.09 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.22 2e7n h ARG 104 N 0.45 0.08 -0.98 0.00 3.08 -1.48 -2.69 114.38 112.85 2e7n h ARG 104 Ca 0.30 -0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.66 2e7n h ARG 104 Cb 0.34 -0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.19 2e7n h ARG 104 CO -0.28 0.08 0.20 1.63 -1.07 0.00 0.00 179.97 180.53 2e7n n LYS 105 N -5.04 -0.07 0.04 0.04 5.02 -0.89 0.24 118.16 117.50 2e7n n LYS 105 Ca -0.06 1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 57.52 2e7n n LYS 105 Cb 0.04 -2.36 -0.09 0.00 -0.02 0.00 0.00 35.03 32.60 2e7n n LYS 105 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2e7n h LEU 106 N 0.00 -0.08 0.01 -0.35 5.85 -1.43 -3.28 115.31 116.04 2e7n h LEU 106 Ca 0.68 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 59.11 2e7n h LEU 106 Cb 1.57 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 2e7n h LEU 106 CO -0.86 0.27 -0.49 -0.61 -0.34 0.00 0.00 178.44 176.42 2e7n h GLN 107 N -0.44 -0.62 -1.55 1.25 4.15 -0.04 0.13 115.11 117.99 2e7n h GLN 107 Ca -0.01 0.04 0.45 0.00 0.77 0.00 0.00 58.65 59.90 2e7n h GLN 107 Cb 0.38 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 2e7n h GLN 107 CO 0.02 -0.41 1.29 -3.47 -1.93 0.00 0.00 178.83 174.32 2e7n n ASP 108 N -5.46 0.00 -0.05 -0.69 2.03 -0.23 0.12 116.55 112.27 2e7n n ASP 108 Ca -0.07 0.86 -0.21 0.00 0.52 0.00 0.00 54.79 55.89 2e7n n ASP 108 Cb 0.39 -0.39 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 2e7n n ASP 108 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2e7n n VAL 109 N -3.57 1.67 0.19 5.18 0.31 0.22 -3.69 118.33 118.64 2e7n n VAL 109 Ca 0.35 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 64.01 2e7n n VAL 109 Cb 1.75 -1.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 2e7n n VAL 109 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2e7n h PHE 110 N -0.18 -0.44 0.28 3.52 3.57 0.33 -1.32 116.94 122.69 2e7n h PHE 110 Ca -0.46 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2e7n h PHE 110 Cb 1.87 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.73 2e7n h PHE 110 CO 0.06 -0.15 -0.36 0.93 -2.23 0.00 0.00 178.31 176.56 2e7n h GLU 111 N -0.69 -0.63 -0.90 1.11 5.08 -0.59 -0.50 114.58 117.45 2e7n h GLU 111 Ca -0.05 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 2e7n h GLU 111 Cb 0.49 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.76 2e7n h GLU 111 CO 0.08 -0.42 0.42 0.00 -1.00 0.00 0.00 179.01 178.09 2e7n h MET 112 N -0.65 0.43 0.51 2.33 -0.00 -1.64 -1.31 114.93 114.59 2e7n h MET 112 Ca -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 2e7n h MET 112 Cb 0.59 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2e7n h MET 112 CO -0.09 0.28 -0.32 0.00 -0.00 0.00 0.00 176.91 176.78 2e7n h ARG 113 N 0.44 -0.77 -0.62 -0.10 2.47 -0.68 0.20 114.38 115.32 2e7n h ARG 113 Ca 0.56 0.05 0.12 0.00 -1.26 0.00 0.00 59.98 59.45 2e7n h ARG 113 Cb 1.04 0.18 -0.12 0.00 -1.65 0.00 0.00 29.97 29.42 2e7n h ARG 113 CO -0.51 -0.51 -0.19 0.35 0.56 0.00 0.00 179.97 179.67 2e7n h PHE 114 N -0.80 -0.43 -0.09 3.04 3.57 0.03 -1.21 116.94 121.06 2e7n h PHE 114 Ca -0.06 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2e7n h PHE 114 Cb 0.66 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2e7n h PHE 114 CO -0.10 -0.29 0.03 0.00 -2.23 0.00 0.00 178.31 175.71 2e7n h ALA 115 N 1.52 0.11 -0.98 2.41 0.00 -1.22 -2.95 119.26 118.16 2e7n h ALA 115 Ca 0.29 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.41 2e7n h ALA 115 Cb 0.48 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 2e7n h ALA 115 CO -0.65 -0.28 0.26 0.87 0.00 0.00 0.00 179.25 179.44 2e7n h LYS 116 N -0.04 0.05 0.00 0.00 1.79 0.60 -3.52 116.57 115.46 2e7n h LYS 116 Ca 0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2e7n h LYS 116 Cb 0.20 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2e7n h LYS 116 CO -0.00 0.03 0.00 -0.12 -1.08 0.00 0.00 179.45 178.28