#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n s SER 2 N 0.00 5.64 0.22 1.61 0.01 -1.26 -5.04 113.70 114.88 2e7n s SER 2 Ca 0.00 -1.71 -0.19 0.00 1.31 0.00 0.00 55.95 55.37 2e7n s SER 2 Cb 0.00 -1.99 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2e7n s SER 2 CO 0.00 -0.60 0.58 -0.94 0.41 0.00 0.00 173.24 172.69 2e7n s SER 3 N 2.34 -0.28 0.00 2.44 1.04 -1.26 -5.16 113.70 112.82 2e7n s SER 3 Ca 0.04 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2e7n s SER 3 Cb -0.24 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2e7n s SER 3 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2e7n n GLY 4 N -0.38 -0.81 3.55 7.32 0.00 -1.26 -5.10 105.19 108.51 2e7n n GLY 4 Ca -0.08 0.90 -0.41 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 6.24 -0.15 1.61 0.01 -1.26 -4.74 113.70 115.41 2e7n s SER 5 Ca 0.00 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.52 2e7n s SER 5 Cb 0.00 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.74 2e7n s SER 5 CO 0.00 -1.75 0.24 -0.55 0.41 0.00 0.00 173.24 171.59 2e7n s SER 6 N 4.03 0.73 0.00 2.44 0.15 -1.26 -5.13 113.70 114.66 2e7n s SER 6 Ca 0.37 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2e7n s SER 6 Cb -0.06 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2e7n s SER 6 CO 0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2e7n n GLY 7 N 5.34 3.26 2.81 9.45 0.00 -1.26 -4.53 105.19 120.25 2e7n n GLY 7 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 3.90 2.05 3.60 -0.02 0.00 -1.26 -4.89 105.19 108.57 2e7n n GLY 8 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2e7n n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7n s LYS 9 N 0.00 2.04 -0.12 1.61 1.02 -1.26 -5.03 119.74 117.99 2e7n s LYS 9 Ca 0.00 -2.27 -0.21 0.00 0.02 0.00 0.00 55.97 53.51 2e7n s LYS 9 Cb 0.00 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 2e7n s LYS 9 CO 0.00 -0.45 0.62 -0.51 -0.92 0.00 0.00 175.35 174.09 2e7n s LEU 10 N -3.71 4.25 0.57 3.17 2.01 -1.26 -5.03 118.68 118.69 2e7n s LEU 10 Ca 0.17 0.98 -0.20 0.00 0.01 0.00 0.00 54.13 55.09 2e7n s LEU 10 Cb 0.02 -2.92 -0.04 0.00 0.01 0.00 0.00 46.19 43.25 2e7n s LEU 10 CO 0.11 -0.14 1.22 -0.94 1.01 0.00 0.00 176.35 177.61 2e7n s SER 11 N 0.89 5.31 0.54 2.29 1.04 -1.26 -4.52 113.70 117.99 2e7n s SER 11 Ca 0.32 2.43 0.47 0.00 0.48 0.00 0.00 55.95 59.65 2e7n s SER 11 Cb -0.16 -2.60 1.70 0.00 0.10 0.00 0.00 66.02 65.05 2e7n s SER 11 CO 0.13 -1.51 1.59 -0.08 0.98 0.00 0.00 173.24 174.35 2e7n h GLU 12 N 1.10 0.00 0.00 4.02 4.81 -1.99 0.15 114.58 122.67 2e7n h GLU 12 Ca -0.50 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 2e7n h GLU 12 Cb 1.29 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2e7n h GLU 12 CO 0.56 0.00 -0.81 0.72 -0.73 0.00 0.00 179.01 178.76 2e7n n HIS 13 N -4.06 0.93 -0.19 0.92 8.25 -1.26 -4.40 115.22 115.40 2e7n n HIS 13 Ca 0.43 0.40 -0.06 0.00 -0.26 0.00 0.00 57.72 58.23 2e7n n HIS 13 Cb 1.90 -0.88 -0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 -1.21 -1.34 2.41 3.38 -1.39 0.47 115.31 116.63 2e7n h LEU 14 Ca -0.13 0.23 0.39 0.00 0.09 0.00 0.00 57.88 58.45 2e7n h LEU 14 Cb 0.80 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 2e7n h LEU 14 CO -0.08 -0.31 1.28 -2.11 0.09 0.00 0.00 178.44 177.31 2e7n n ARG 15 N -5.43 0.01 0.01 1.13 -4.01 0.34 0.18 116.66 108.89 2e7n n ARG 15 Ca 0.03 1.03 -0.22 0.00 -1.04 0.00 0.00 57.85 57.66 2e7n n ARG 15 Cb 0.35 -2.50 -0.14 0.00 -3.04 0.00 0.00 32.46 27.13 2e7n n ARG 15 CO 0.00 0.00 0.00 -0.92 -3.04 0.00 0.00 177.63 173.67 2e7n h TYR 16 N 0.00 0.50 0.00 2.89 5.03 -0.29 -3.36 116.97 121.75 2e7n h TYR 16 Ca 0.64 -0.37 -0.05 0.00 2.58 0.00 0.00 58.73 61.53 2e7n h TYR 16 Cb 3.19 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 41.44 2e7n h TYR 16 CO 0.00 1.77 -0.25 0.00 -1.32 0.00 0.00 178.16 178.37 2e7n h ASP 18 N 0.00 0.00 0.03 0.00 3.58 -0.78 -1.40 116.42 117.85 2e7n h ASP 18 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2e7n h ASP 18 Cb 0.53 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2e7n h ASP 18 CO 0.03 0.00 -0.49 0.28 -2.88 0.00 0.00 179.24 176.18 2e7n h SER 19 N 0.00 0.08 -1.61 2.28 0.02 -1.70 -3.25 113.55 109.37 2e7n h SER 19 Ca 0.39 -0.87 0.47 0.00 -0.84 0.00 0.00 61.79 60.93 2e7n h SER 19 Cb 1.60 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.05 2e7n h SER 19 CO -0.00 1.20 1.30 -0.38 -1.14 0.00 0.00 176.83 177.81 2e7n n ILE 20 N -4.46 0.00 -0.08 3.27 5.41 -0.53 0.65 119.36 123.61 2e7n n ILE 20 Ca -0.17 1.34 -0.16 0.00 1.00 0.00 0.00 62.75 64.77 2e7n n ILE 20 Cb 0.60 -2.29 -0.11 0.00 -0.71 0.00 0.00 39.64 37.13 2e7n n ILE 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2e7n h LEU 21 N 0.00 0.00 -1.90 1.39 5.85 -1.63 -3.18 115.31 115.84 2e7n h LEU 21 Ca 0.77 -0.67 0.17 0.00 0.84 0.00 0.00 57.88 58.99 2e7n h LEU 21 Cb 3.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 44.36 2e7n h LEU 21 CO -0.01 1.17 0.57 0.08 -0.34 0.00 0.00 178.44 179.90 2e7n h ARG 22 N -1.00 0.00 0.25 1.25 0.11 0.19 0.20 114.38 115.37 2e7n h ARG 22 Ca -0.15 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.59 2e7n h ARG 22 Cb 1.04 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.16 2e7n h ARG 22 CO -0.09 0.00 -1.48 1.49 0.10 0.00 0.00 179.97 179.99 2e7n h GLU 23 N 0.00 0.52 0.00 0.08 4.57 -1.32 -3.21 114.58 115.21 2e7n h GLU 23 Ca 0.28 -0.89 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 2e7n h GLU 23 Cb 1.41 0.33 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 2e7n h GLU 23 CO -0.00 1.42 0.00 -1.33 -1.18 0.00 0.00 179.01 177.92 2e7n n MET 24 N -3.70 0.15 -0.86 1.92 2.81 0.62 -2.15 117.12 115.91 2e7n n MET 24 Ca -0.17 0.17 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 2e7n n MET 24 Cb 1.10 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 32.40 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 -1.35 5.34 -4.91 4.03 7.99 -0.79 -4.68 117.00 122.62 2e7n n LEU 25 Ca 0.06 -3.23 -0.28 0.00 -0.01 0.00 0.00 56.01 52.56 2e7n n LEU 25 Cb 0.14 -0.68 -0.03 0.00 -0.11 0.00 0.00 43.42 42.74 2e7n n LEU 25 CO 0.13 0.82 0.12 -0.55 -1.51 0.00 0.00 177.39 176.40 2e7n s SER 26 N -1.41 6.42 0.28 -1.43 0.15 -0.92 -4.96 113.70 111.83 2e7n s SER 26 Ca 0.51 0.57 -0.03 0.00 0.70 0.00 0.00 55.95 57.70 2e7n s SER 26 Cb 0.41 -2.08 0.39 0.00 -1.71 0.00 0.00 66.02 63.03 2e7n s SER 26 CO 0.11 -0.12 1.95 0.07 1.20 0.00 0.00 173.24 176.45 2e7n h LYS 27 N 1.84 1.16 0.04 5.44 5.09 -1.93 0.20 116.57 128.40 2e7n h LYS 27 Ca -0.48 -0.07 0.02 0.00 0.09 0.00 0.00 60.65 60.21 2e7n h LYS 27 Cb 1.19 -0.26 -0.05 0.00 0.10 0.00 0.00 32.23 33.20 2e7n h LYS 27 CO 0.67 0.77 -0.51 -0.22 -2.09 0.00 0.00 179.45 178.07 2e7n h LYS 28 N 1.20 -0.66 0.00 0.07 3.64 -1.94 -1.98 116.57 116.89 2e7n h LYS 28 Ca 0.33 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 2e7n h LYS 28 Cb -0.12 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2e7n h LYS 28 CO -0.07 -0.44 -0.57 0.45 -2.27 0.00 0.00 179.45 176.55 2e7n h HIS 29 N -0.68 0.00 -0.99 1.91 3.86 -1.84 -3.23 115.15 114.19 2e7n h HIS 29 Ca 0.01 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 59.62 2e7n h HIS 29 Cb 0.73 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.02 2e7n h HIS 29 CO -0.48 0.57 0.45 0.00 0.86 0.00 0.00 177.93 179.33 2e7n n ALA 30 N -2.39 0.94 -0.29 2.45 0.00 0.67 0.26 120.51 122.15 2e7n n ALA 30 Ca -0.01 1.01 0.06 0.00 0.00 0.00 0.00 53.44 54.50 2e7n n ALA 30 Cb 0.60 -0.97 0.16 0.00 0.00 0.00 0.00 19.45 19.24 2e7n n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7n h ALA 31 N 1.97 0.74 -0.19 0.00 0.00 -1.56 0.65 119.26 120.87 2e7n h ALA 31 Ca 0.80 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.98 2e7n h ALA 31 Cb 2.07 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 20.39 2e7n h ALA 31 CO -0.79 -0.44 -0.04 2.48 0.00 0.00 0.00 179.25 180.46 2e7n n TYR 32 N -5.46 0.66 -0.66 0.00 0.18 0.14 -4.45 117.16 107.56 2e7n n TYR 32 Ca 0.15 -1.09 0.00 0.00 1.88 0.00 0.00 57.90 58.84 2e7n n TYR 32 Cb 0.50 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.16 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 -0.92 0.92 0.07 -3.48 0.00 0.24 -4.02 120.51 113.32 2e7n n ALA 33 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2e7n n ALA 33 Cb 0.84 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 0.01 0.00 0.00 5.08 -0.03 -3.16 115.95 117.84 2e7n h TRP 34 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2e7n h TRP 34 Cb 0.40 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 2e7n h TRP 34 CO 0.00 0.94 0.59 -1.35 -1.28 0.00 0.00 178.44 177.34 2e7n h PRO 35 N 0.00 0.00 0.00 0.12 0.11 -1.86 0.43 132.00 130.80 2e7n h PRO 35 Ca -0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 2e7n h PRO 35 Cb 1.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.75 2e7n h PRO 35 CO 0.12 0.00 -1.73 1.19 -0.21 0.00 0.00 178.00 177.38 2e7n n PHE 36 N -2.68 0.00 -0.33 0.65 3.01 -1.22 -4.63 117.46 112.26 2e7n n PHE 36 Ca -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 2e7n n PHE 36 Cb 0.62 -0.46 0.03 0.00 -0.01 0.00 0.00 39.48 39.66 2e7n n PHE 36 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 2e7n h TYR 37 N 0.00 -1.02 -3.79 1.38 -1.99 -0.10 -3.40 116.97 108.06 2e7n h TYR 37 Ca -0.18 0.10 -0.49 0.00 2.00 0.00 0.00 58.73 60.15 2e7n h TYR 37 Cb 1.24 0.58 0.00 0.00 2.00 0.00 0.00 36.73 40.55 2e7n h TYR 37 CO 0.00 -0.40 0.16 0.15 -0.00 0.00 0.00 178.16 178.07 2e7n s LYS 38 N -5.97 3.84 1.13 4.88 -0.14 -1.22 -4.72 119.74 117.53 2e7n s LYS 38 Ca -0.14 0.59 -0.16 0.00 -1.36 0.00 0.00 55.97 54.89 2e7n s LYS 38 Cb 0.19 -2.35 0.25 0.00 -1.68 0.00 0.00 37.83 34.24 2e7n s LYS 38 CO 0.71 -0.05 1.10 -1.25 -0.76 0.00 0.00 175.35 175.11 2e7n s PRO 39 N -3.75 -0.60 -0.19 -1.68 0.04 -1.26 -5.01 135.00 122.55 2e7n s PRO 39 Ca 0.53 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 2e7n s PRO 39 Cb -0.10 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 32.84 2e7n s PRO 39 CO 0.29 -3.34 -0.05 0.08 0.04 0.00 0.00 177.00 174.02 2e7n s VAL 40 N -2.99 1.23 -0.40 -0.36 1.01 -1.26 -5.08 120.40 112.55 2e7n s VAL 40 Ca 0.69 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.88 2e7n s VAL 40 Cb -0.13 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 34.90 2e7n s VAL 40 CO 0.57 0.04 0.12 -0.62 0.00 0.00 0.00 175.10 175.21 2e7n s ASP 41 N 1.56 4.63 0.64 3.32 2.15 -1.26 -4.95 116.67 122.76 2e7n s ASP 41 Ca -0.01 -2.44 0.19 0.00 0.43 0.00 0.00 52.55 50.71 2e7n s ASP 41 Cb -0.17 -1.64 0.87 0.00 -0.30 0.00 0.00 42.92 41.69 2e7n s ASP 41 CO -0.07 -0.33 1.45 0.00 -0.17 0.00 0.00 175.17 176.04 2e7n h ALA 42 N 7.25 2.10 0.00 3.66 0.00 -1.88 0.12 119.26 130.50 2e7n h ALA 42 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2e7n h ALA 42 Cb 0.98 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2e7n h ALA 42 CO 0.58 -0.97 -0.15 0.93 0.00 0.00 0.00 179.25 179.64 2e7n h GLU 43 N 0.00 0.00 -0.97 0.00 5.08 -1.93 -3.35 114.58 113.41 2e7n h GLU 43 Ca 0.15 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 2e7n h GLU 43 Cb 1.76 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.93 2e7n h GLU 43 CO -0.00 0.46 0.61 0.00 -1.00 0.00 0.00 179.01 179.08 2e7n h ALA 44 N -0.58 1.44 -1.59 3.43 0.00 -1.21 -3.43 119.26 117.32 2e7n h ALA 44 Ca -0.03 0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 2e7n h ALA 44 Cb 0.53 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 18.19 2e7n h ALA 44 CO -0.02 0.24 0.09 -0.51 0.00 0.00 0.00 179.25 179.05 2e7n s LEU 45 N -10.23 3.03 0.43 0.00 1.02 -0.41 -4.99 118.68 107.54 2e7n s LEU 45 Ca -0.12 -0.17 0.17 0.00 0.02 0.00 0.00 54.13 54.03 2e7n s LEU 45 Cb 0.21 -2.34 0.98 0.00 0.02 0.00 0.00 46.19 45.06 2e7n s LEU 45 CO 0.80 -1.67 1.93 -0.33 0.02 0.00 0.00 176.35 177.11 2e7n h GLU 46 N -0.41 0.00 -4.18 1.70 4.39 -1.83 -3.46 114.58 110.79 2e7n h GLU 46 Ca -0.39 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 58.89 2e7n h GLU 46 Cb 1.28 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 30.05 2e7n h GLU 46 CO 0.45 0.25 -0.80 1.28 -1.16 0.00 0.00 179.01 179.04 2e7n n LEU 47 N -4.02 -2.52 0.01 1.33 4.32 -1.26 -4.93 117.00 109.93 2e7n n LEU 47 Ca -0.02 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 2e7n n LEU 47 Cb 0.32 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 2e7n n LEU 47 CO 0.36 -3.32 -0.25 1.57 -1.22 0.00 0.00 177.39 174.54 2e7n n HIS 48 N -1.03 -0.10 -1.73 -1.77 -0.00 -1.26 -4.58 115.22 104.74 2e7n n HIS 48 Ca 0.06 0.02 -0.29 0.00 0.46 0.00 0.00 57.72 57.96 2e7n n HIS 48 Cb 0.33 0.24 0.05 0.00 -0.12 0.00 0.00 29.99 30.48 2e7n n HIS 48 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2e7n n ASP 49 N -2.83 6.18 0.12 0.26 9.92 -1.26 -4.76 116.55 124.18 2e7n n ASP 49 Ca 0.00 -3.77 -0.13 0.00 -0.53 0.00 0.00 54.79 50.36 2e7n n ASP 49 Cb 0.25 -0.63 -0.07 0.00 -0.64 0.00 0.00 41.12 40.02 2e7n n ASP 49 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2e7n h TYR 50 N 2.13 -0.27 -0.44 1.24 3.20 -1.94 -2.94 116.97 117.96 2e7n h TYR 50 Ca 0.48 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.31 2e7n h TYR 50 Cb 1.18 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2e7n h TYR 50 CO 1.11 -0.16 0.13 0.45 -1.64 0.00 0.00 178.16 178.04 2e7n h HIS 51 N -0.26 0.71 -0.93 -3.82 3.86 -1.86 -2.04 115.15 110.81 2e7n h HIS 51 Ca -0.01 -0.08 0.19 0.00 -1.16 0.00 0.00 60.37 59.32 2e7n h HIS 51 Cb 0.22 -0.20 -0.18 0.00 1.06 0.00 0.00 27.41 28.31 2e7n h HIS 51 CO -0.09 0.65 -0.21 -0.25 0.86 0.00 0.00 177.93 178.89 2e7n n ASP 52 N -4.55 -0.31 -0.05 2.45 9.92 -1.12 -1.13 116.55 121.76 2e7n n ASP 52 Ca 0.00 1.60 -0.12 0.00 -0.53 0.00 0.00 54.79 55.74 2e7n n ASP 52 Cb 0.19 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 40.07 2e7n n ASP 52 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2e7n h ILE 53 N 0.00 1.50 -3.51 0.53 2.04 -1.46 -3.42 117.51 113.18 2e7n h ILE 53 Ca 0.46 -1.97 -0.61 0.00 1.00 0.00 0.00 64.86 63.74 2e7n h ILE 53 Cb 0.72 2.75 -0.12 0.00 -0.74 0.00 0.00 36.82 39.44 2e7n h ILE 53 CO -0.95 0.48 0.53 -0.63 0.00 0.00 0.00 178.15 177.58 2e7n s ILE 54 N -2.51 4.48 -0.10 -0.67 -1.09 -0.28 -4.91 121.20 116.11 2e7n s ILE 54 Ca -0.16 0.53 -0.27 0.00 -2.23 0.00 0.00 60.65 58.52 2e7n s ILE 54 Cb -0.02 -4.45 -0.23 0.00 -1.58 0.00 0.00 42.46 36.18 2e7n s ILE 54 CO 0.60 -0.90 0.89 0.11 -1.23 0.00 0.00 174.94 174.41 2e7n h LYS 55 N 9.14 -0.01 -3.26 2.79 1.79 -1.83 -3.40 116.57 121.78 2e7n h LYS 55 Ca -0.25 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.59 2e7n h LYS 55 Cb 1.08 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.32 2e7n h LYS 55 CO 1.03 0.79 -0.62 -3.38 -1.08 0.00 0.00 179.45 176.19 2e7n s HIS 56 N -2.83 3.22 0.30 -1.35 -3.43 -1.26 -5.09 115.29 104.85 2e7n s HIS 56 Ca -0.17 -3.19 -0.29 0.00 -0.80 0.00 0.00 55.06 50.61 2e7n s HIS 56 Cb -0.01 -2.73 -0.10 0.00 -1.43 0.00 0.00 32.58 28.31 2e7n s HIS 56 CO 0.65 -0.68 1.23 -1.25 -2.00 0.00 0.00 174.74 172.70 2e7n s PRO 57 N -0.61 4.46 0.21 -0.38 0.04 -1.26 -4.92 135.00 132.53 2e7n s PRO 57 Ca 0.20 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2e7n s PRO 57 Cb -0.19 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2e7n s PRO 57 CO -0.05 -0.06 -0.01 1.41 0.04 0.00 0.00 177.00 178.34 2e7n s MET 58 N -1.50 1.24 0.09 4.56 1.75 -1.26 -5.05 119.30 119.13 2e7n s MET 58 Ca 0.48 -1.61 -0.26 0.00 -1.25 0.00 0.00 55.69 53.04 2e7n s MET 58 Cb -0.37 -0.49 0.08 0.00 2.84 0.00 0.00 34.83 36.89 2e7n s MET 58 CO 0.47 -0.10 0.86 -0.51 -0.65 0.00 0.00 175.02 175.10 2e7n s ASP 59 N -3.25 -0.32 0.20 1.11 1.01 -1.26 -4.79 116.67 109.37 2e7n s ASP 59 Ca 0.26 -0.17 -0.11 0.00 0.71 0.00 0.00 52.55 53.24 2e7n s ASP 59 Cb 0.06 0.47 0.24 0.00 1.01 0.00 0.00 42.92 44.70 2e7n s ASP 59 CO 0.07 -0.81 1.70 -0.07 0.21 0.00 0.00 175.17 176.28 2e7n h LEU 60 N 2.00 -0.03 -0.80 1.23 -0.00 -1.91 -2.42 115.31 113.37 2e7n h LEU 60 Ca -0.24 0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.83 2e7n h LEU 60 Cb 1.25 0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 41.95 2e7n h LEU 60 CO 0.29 0.00 -0.53 0.28 -0.00 0.00 0.00 178.44 178.48 2e7n h SER 61 N 0.23 -1.90 -0.15 -0.43 0.02 -1.85 0.26 113.55 109.73 2e7n h SER 61 Ca 0.28 0.30 0.05 0.00 -0.84 0.00 0.00 61.79 61.58 2e7n h SER 61 Cb 0.41 0.85 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 2e7n h SER 61 CO -0.38 -0.29 -0.23 0.74 -1.14 0.00 0.00 176.83 175.52 2e7n h THR 62 N -0.12 0.43 0.27 -2.27 2.02 -1.86 0.13 112.91 111.51 2e7n h THR 62 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 2e7n h THR 62 Cb 0.50 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2e7n h THR 62 CO -0.83 0.00 -0.42 0.58 0.37 0.00 0.00 175.52 175.22 2e7n h VAL 63 N -0.29 0.00 -0.84 3.16 2.07 -0.84 0.13 116.25 119.65 2e7n h VAL 63 Ca 0.11 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.84 2e7n h VAL 63 Cb 0.45 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2e7n h VAL 63 CO -0.31 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.35 2e7n h LYS 64 N -0.72 0.22 -0.11 1.57 1.63 -0.40 0.22 116.57 118.99 2e7n h LYS 64 Ca -0.03 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2e7n h LYS 64 Cb 0.67 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2e7n h LYS 64 CO -0.13 0.15 -0.08 0.00 -3.45 0.00 0.00 179.45 175.93 2e7n h ARG 65 N 0.23 0.24 0.61 1.90 2.47 0.33 -1.40 114.38 118.76 2e7n h ARG 65 Ca 0.42 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.99 2e7n h ARG 65 Cb 1.29 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.62 2e7n h ARG 65 CO -0.10 0.63 -0.29 0.87 0.56 0.00 0.00 179.97 181.64 2e7n h LYS 66 N -0.15 -0.79 -0.94 0.04 1.57 0.79 -2.95 116.57 114.14 2e7n h LYS 66 Ca 0.02 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 2e7n h LYS 66 Cb 0.57 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 32.97 2e7n h LYS 66 CO 0.02 -0.48 0.55 1.98 -0.57 0.00 0.00 179.45 180.96 2e7n h MET 67 N -1.04 0.78 -0.82 3.15 4.05 -1.13 0.13 114.93 120.05 2e7n h MET 67 Ca -0.08 -0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.43 2e7n h MET 67 Cb 0.68 -0.18 -0.09 0.00 -0.80 0.00 0.00 31.60 31.21 2e7n h MET 67 CO 0.14 0.52 0.41 -0.44 0.23 0.00 0.00 176.91 177.77 2e7n h ASP 68 N 0.81 0.50 -0.97 1.39 5.19 -1.17 -0.30 116.42 121.87 2e7n h ASP 68 Ca 0.50 0.09 -0.56 0.00 -0.62 0.00 0.00 57.03 56.44 2e7n h ASP 68 Cb 0.63 0.01 -0.29 0.00 0.18 0.00 0.00 39.33 39.86 2e7n h ASP 68 CO -0.32 0.22 0.71 0.61 -3.12 0.00 0.00 179.24 177.34 2e7n n GLY 69 N -1.32 4.89 3.29 2.75 0.00 -0.26 -4.88 105.19 109.65 2e7n n GLY 69 Ca 0.16 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.00 -2.34 -0.10 1.61 3.00 -0.12 -4.78 116.66 112.93 2e7n n ARG 70 Ca 0.59 0.17 -0.08 0.00 -0.01 0.00 0.00 57.85 58.52 2e7n n ARG 70 Cb 1.29 -4.74 0.09 0.00 0.00 0.00 0.00 32.46 29.10 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e7n h GLU 71 N -0.46 0.82 -6.40 5.56 5.08 -1.02 -3.43 114.58 114.73 2e7n h GLU 71 Ca -0.28 -0.31 -0.54 0.00 -1.00 0.00 0.00 59.36 57.23 2e7n h GLU 71 Cb 1.19 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.40 2e7n h GLU 71 CO 0.40 0.93 1.06 0.71 -1.00 0.00 0.00 179.01 181.10 2e7n s TYR 72 N -4.70 2.15 0.09 4.33 2.02 -1.26 -4.91 117.35 115.07 2e7n s TYR 72 Ca -0.10 0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 56.61 2e7n s TYR 72 Cb 0.13 -4.00 -0.10 0.00 -0.40 0.00 0.00 41.96 37.59 2e7n s TYR 72 CO 0.84 -4.16 1.41 -1.00 -1.57 0.00 0.00 175.55 171.06 2e7n h PRO 73 N 8.91 0.63 -3.30 -1.71 0.13 -1.83 -3.47 132.00 131.35 2e7n h PRO 73 Ca -0.43 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2e7n h PRO 73 Cb 1.20 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2e7n h PRO 73 CO 0.94 0.93 0.05 -0.51 -0.23 0.00 0.00 178.00 179.17 2e7n s ASP 74 N -6.45 -0.23 0.22 1.44 1.01 -1.26 -4.85 116.67 106.55 2e7n s ASP 74 Ca -0.13 -0.58 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 2e7n s ASP 74 Cb 0.08 0.61 0.37 0.00 1.01 0.00 0.00 42.92 44.99 2e7n s ASP 74 CO 0.81 -1.13 1.25 0.00 0.21 0.00 0.00 175.17 176.31 2e7n n ALA 75 N -0.38 0.19 -0.24 5.23 0.00 -1.26 0.14 120.51 124.20 2e7n n ALA 75 Ca -0.07 0.88 0.05 0.00 0.00 0.00 0.00 53.44 54.29 2e7n n ALA 75 Cb 0.62 -0.53 0.16 0.00 0.00 0.00 0.00 19.45 19.70 2e7n n ALA 75 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e7n h GLN 76 N 0.00 0.17 -0.05 0.00 1.08 -1.99 -0.51 115.11 113.82 2e7n h GLN 76 Ca 0.38 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.58 2e7n h GLN 76 Cb 0.58 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2e7n h GLN 76 CO -0.82 0.11 -0.02 0.78 -0.95 0.00 0.00 178.83 177.93 2e7n h GLY 77 N 0.17 0.03 0.66 3.46 0.00 0.89 0.27 103.07 108.54 2e7n h GLY 77 Ca 0.40 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.78 2e7n h GLY 77 CO -0.57 -0.02 -0.09 -2.75 0.00 0.00 0.00 176.54 173.10 2e7n h PHE 78 N -0.01 -0.23 -0.48 5.60 3.57 -0.95 -2.67 116.94 121.77 2e7n h PHE 78 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2e7n h PHE 78 Cb 0.05 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2e7n h PHE 78 CO -0.12 -0.14 0.23 0.00 -2.23 0.00 0.00 178.31 176.04 2e7n h ALA 79 N 0.93 0.62 -0.63 2.41 0.00 -1.00 -3.14 119.26 118.45 2e7n h ALA 79 Ca 0.06 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2e7n h ALA 79 Cb 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2e7n h ALA 79 CO -0.16 0.19 -0.37 0.00 0.00 0.00 0.00 179.25 178.91 2e7n n ALA 80 N -2.31 -0.40 0.38 0.00 0.00 0.95 -0.23 120.51 118.90 2e7n n ALA 80 Ca 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 53.44 53.81 2e7n n ALA 80 Cb 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.97 -0.76 0.00 5.19 -1.56 0.83 116.42 119.15 2e7n h ASP 81 Ca 0.10 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.63 2e7n h ASP 81 Cb 0.26 0.28 -0.10 0.00 0.18 0.00 0.00 39.33 39.94 2e7n h ASP 81 CO -0.59 -0.62 -0.56 0.58 -3.12 0.00 0.00 179.24 174.92 2e7n h VAL 82 N -1.00 0.00 -1.00 -1.35 2.07 -0.85 0.29 116.25 114.41 2e7n h VAL 82 Ca -0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2e7n h VAL 82 Cb 0.80 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2e7n h VAL 82 CO 0.10 0.00 0.66 0.03 0.02 0.00 0.00 177.57 178.39 2e7n h ARG 83 N -0.14 1.30 -0.23 1.57 3.08 -0.56 -2.32 114.38 117.08 2e7n h ARG 83 Ca 0.12 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2e7n h ARG 83 Cb 0.46 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2e7n h ARG 83 CO -0.79 0.86 0.01 1.25 -1.07 0.00 0.00 179.97 180.23 2e7n h LEU 84 N 1.34 -0.07 0.04 3.04 7.12 0.19 -1.94 115.31 125.03 2e7n h LEU 84 Ca 0.37 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.44 2e7n h LEU 84 Cb -0.13 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2e7n h LEU 84 CO -0.09 -0.01 -0.06 -0.03 -0.13 0.00 0.00 178.44 178.12 2e7n h MET 85 N 0.08 -0.13 -0.59 1.25 4.05 -0.22 -2.58 114.93 116.79 2e7n h MET 85 Ca 0.11 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.66 2e7n h MET 85 Cb 0.14 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 30.86 2e7n h MET 85 CO -0.18 -0.09 -0.08 0.74 0.23 0.00 0.00 176.91 177.54 2e7n h PHE 86 N -0.13 -0.19 0.14 1.39 0.04 -1.13 -1.81 116.94 115.25 2e7n h PHE 86 Ca 0.01 0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.85 2e7n h PHE 86 Cb 0.14 0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 2e7n h PHE 86 CO -0.11 -0.21 -0.34 0.77 -0.60 0.00 0.00 178.31 177.82 2e7n h SER 87 N 0.05 -0.97 -0.70 2.17 0.02 -1.08 -2.79 113.55 110.25 2e7n h SER 87 Ca 0.30 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.45 2e7n h SER 87 Cb 0.47 0.37 -0.11 0.00 0.14 0.00 0.00 62.40 63.26 2e7n h SER 87 CO -0.56 -0.43 -0.46 0.78 -1.14 0.00 0.00 176.83 175.01 2e7n h ASN 88 N -0.57 -1.63 0.00 3.07 2.35 -0.95 0.22 115.58 118.06 2e7n h ASN 88 Ca 0.03 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2e7n h ASN 88 Cb 0.60 0.75 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2e7n h ASN 88 CO -0.19 -0.32 0.00 0.00 -1.65 0.00 0.00 177.43 175.27 2e7n h TYR 90 N 0.00 0.37 -0.93 0.00 0.05 -1.48 0.46 116.97 115.45 2e7n h TYR 90 Ca 0.00 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2e7n h TYR 90 Cb 0.00 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.55 2e7n h TYR 90 CO -0.54 0.24 0.60 -0.22 -1.05 0.00 0.00 178.16 177.19 2e7n h LYS 91 N 0.39 0.99 0.00 4.88 3.11 0.37 -3.36 116.57 122.95 2e7n h LYS 91 Ca 0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2e7n h LYS 91 Cb -0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 30.98 2e7n h LYS 91 CO -0.02 0.65 0.00 0.98 -2.81 0.00 0.00 179.45 178.25 2e7n n TYR 92 N -4.51 0.00 -1.56 1.91 9.36 0.11 -4.97 117.16 117.51 2e7n n TYR 92 Ca 0.15 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.92 2e7n n TYR 92 Cb 0.23 -0.06 -0.02 0.00 -0.63 0.00 0.00 39.34 38.87 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2e7n n ASN 93 N -1.96 0.83 -4.72 2.98 3.02 0.08 -4.94 115.26 110.55 2e7n n ASN 93 Ca 0.00 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.42 2e7n n ASN 93 Cb 0.00 -1.23 0.14 0.00 -0.61 0.00 0.00 39.78 38.08 2e7n n ASN 93 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e7n s PRO 94 N -1.48 1.21 0.00 3.52 0.04 -1.26 -4.57 135.00 132.46 2e7n s PRO 94 Ca 0.60 0.80 0.15 0.00 0.04 0.00 0.00 61.00 62.59 2e7n s PRO 94 Cb -0.73 -1.81 0.88 0.00 0.04 0.00 0.00 34.50 32.89 2e7n s PRO 94 CO 0.59 -2.27 1.36 -0.35 0.04 0.00 0.00 177.00 176.37 2e7n n PRO 95 N -3.90 0.42 -0.05 0.56 -0.04 -1.26 -2.22 135.00 128.51 2e7n n PRO 95 Ca 0.07 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2e7n n PRO 95 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2e7n n PRO 95 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2e7n n ASP 96 N -1.07 0.99 -4.65 3.54 5.68 -1.26 -4.96 116.55 114.82 2e7n n ASP 96 Ca 0.11 0.00 -0.52 0.00 -0.50 0.00 0.00 54.79 53.87 2e7n n ASP 96 Cb 0.07 1.25 -0.06 0.00 -1.14 0.00 0.00 41.12 41.23 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2e7n n HIS 97 N -2.41 2.09 -0.27 2.11 -0.00 -0.94 -4.83 115.22 110.96 2e7n n HIS 97 Ca -0.18 0.24 0.06 0.00 0.46 0.00 0.00 57.72 58.30 2e7n n HIS 97 Cb 0.81 -2.57 0.20 0.00 -0.12 0.00 0.00 29.99 28.31 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 9.24 0.46 -1.26 1.57 4.11 -1.93 0.65 114.58 127.43 2e7n h GLU 98 Ca -0.44 -0.03 0.37 0.00 0.07 0.00 0.00 59.36 59.34 2e7n h GLU 98 Cb 1.30 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 2e7n h GLU 98 CO 0.97 0.31 0.86 -0.24 0.07 0.00 0.00 179.01 180.97 2e7n h VAL 99 N 0.48 0.32 -0.46 -1.06 3.04 -1.96 0.25 116.25 116.86 2e7n h VAL 99 Ca 0.43 -0.05 0.06 0.00 -1.01 0.00 0.00 66.70 66.13 2e7n h VAL 99 Cb 0.65 0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.05 2e7n h VAL 99 CO -0.40 0.03 0.18 0.58 -1.01 0.00 0.00 177.57 176.94 2e7n h VAL 100 N 0.15 0.88 -0.03 1.51 2.07 -1.18 -0.17 116.25 119.47 2e7n h VAL 100 Ca 0.68 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 68.09 2e7n h VAL 100 Cb 2.27 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2e7n h VAL 100 CO -0.21 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.47 2e7n h ALA 101 N 1.29 1.74 0.07 1.67 0.00 -0.62 -2.34 119.26 121.06 2e7n h ALA 101 Ca 0.21 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2e7n h ALA 101 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2e7n h ALA 101 CO -0.20 -0.04 -0.58 0.52 0.00 0.00 0.00 179.25 178.95 2e7n h MET 102 N 0.00 0.28 -1.00 0.00 2.86 -1.04 -3.25 114.93 112.77 2e7n h MET 102 Ca 0.01 -0.38 0.21 0.00 -2.06 0.00 0.00 59.70 57.47 2e7n h MET 102 Cb 0.06 0.13 -0.10 0.00 0.06 0.00 0.00 31.60 31.75 2e7n h MET 102 CO -0.00 1.13 0.61 0.00 1.06 0.00 0.00 176.91 179.71 2e7n h ALA 103 N 0.16 1.78 -0.09 6.32 0.00 -0.66 -0.93 119.26 125.85 2e7n h ALA 103 Ca -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2e7n h ALA 103 Cb 1.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2e7n h ALA 103 CO 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 179.25 179.23 2e7n h ARG 104 N 0.68 0.13 -0.39 0.00 3.08 -1.59 -2.95 114.38 113.34 2e7n h ARG 104 Ca 0.58 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.65 2e7n h ARG 104 Cb 1.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.99 2e7n h ARG 104 CO -0.37 0.22 -0.32 0.87 -1.07 0.00 0.00 179.97 179.30 2e7n h LYS 105 N 0.01 -0.11 -0.43 0.04 1.57 -1.20 0.19 116.57 116.64 2e7n h LYS 105 Ca 0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2e7n h LYS 105 Cb 0.14 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 2e7n h LYS 105 CO -0.00 -0.07 -0.45 1.25 -0.57 0.00 0.00 179.45 179.60 2e7n h LEU 106 N -0.12 -1.52 -0.37 2.94 5.85 -1.55 -1.53 115.31 119.00 2e7n h LEU 106 Ca 0.06 0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.09 2e7n h LEU 106 Cb 0.28 0.66 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 2e7n h LEU 106 CO -0.43 -0.37 -0.32 -0.61 -0.34 0.00 0.00 178.44 176.37 2e7n h GLN 107 N -0.33 -0.25 -1.13 1.25 4.15 -1.12 0.33 115.11 118.01 2e7n h GLN 107 Ca 0.13 0.02 0.33 0.00 0.77 0.00 0.00 58.65 59.90 2e7n h GLN 107 Cb 0.58 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 2e7n h GLN 107 CO -0.60 -0.17 1.09 -0.44 -1.93 0.00 0.00 178.83 176.79 2e7n h ASP 108 N -0.26 0.00 0.16 -0.69 3.32 0.40 0.91 116.42 120.26 2e7n h ASP 108 Ca 0.17 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.86 2e7n h ASP 108 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2e7n h ASP 108 CO -0.52 0.00 -1.82 0.58 -1.72 0.00 0.00 179.24 175.76 2e7n h VAL 109 N 0.00 0.83 -0.12 -1.35 2.07 -0.18 -3.36 116.25 114.14 2e7n h VAL 109 Ca 0.54 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 2e7n h VAL 109 Cb 2.71 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 35.14 2e7n h VAL 109 CO -0.01 0.86 0.04 0.15 0.02 0.00 0.00 177.57 178.64 2e7n h PHE 110 N 0.06 0.20 -0.13 1.57 3.04 0.15 -1.65 116.94 120.17 2e7n h PHE 110 Ca -0.37 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.57 2e7n h PHE 110 Cb 2.05 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 40.48 2e7n h PHE 110 CO 0.10 0.31 -0.14 0.93 -2.02 0.00 0.00 178.31 177.49 2e7n h GLU 111 N 0.02 -0.07 -0.91 1.11 5.08 -1.11 0.20 114.58 118.90 2e7n h GLU 111 Ca 0.04 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2e7n h GLU 111 Cb 0.21 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2e7n h GLU 111 CO -0.00 -0.05 0.55 0.00 -1.00 0.00 0.00 179.01 178.51 2e7n h MET 112 N -0.07 0.89 -0.92 2.33 -0.00 -1.70 -0.85 114.93 114.61 2e7n h MET 112 Ca 0.02 -0.05 0.13 0.00 -0.00 0.00 0.00 59.70 59.80 2e7n h MET 112 Cb 0.13 -0.20 -0.07 0.00 -0.00 0.00 0.00 31.60 31.46 2e7n h MET 112 CO -0.16 0.59 0.59 0.00 -0.00 0.00 0.00 176.91 177.93 2e7n h ARG 113 N 0.92 0.79 0.62 -0.10 2.47 -0.15 0.12 114.38 119.05 2e7n h ARG 113 Ca 0.44 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 59.08 2e7n h ARG 113 Cb 0.38 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2e7n h ARG 113 CO -0.24 0.52 -0.30 0.35 0.56 0.00 0.00 179.97 180.86 2e7n h PHE 114 N 0.82 -0.77 -0.38 3.04 3.04 0.79 -3.28 116.94 120.19 2e7n h PHE 114 Ca 0.46 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.46 2e7n h PHE 114 Cb 0.59 0.26 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 2e7n h PHE 114 CO -0.00 -0.48 -0.08 0.00 -2.02 0.00 0.00 178.31 175.73 2e7n h ALA 115 N -1.32 0.27 -0.80 2.41 0.00 -1.22 -1.49 119.26 117.11 2e7n h ALA 115 Ca -0.09 0.14 0.33 0.00 0.00 0.00 0.00 54.91 55.29 2e7n h ALA 115 Cb 0.64 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 2e7n h ALA 115 CO 0.14 -0.44 0.40 1.63 0.00 0.00 0.00 179.25 180.97 2e7n n LYS 116 N -5.28 -0.05 0.00 0.00 4.76 0.40 -5.12 118.16 112.87 2e7n n LYS 116 Ca 0.02 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 2e7n n LYS 116 Cb 0.21 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 2e7n n LYS 116 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91