#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n h SER 2 N 0.00 0.22 -3.21 1.61 0.02 -2.03 -3.41 113.55 106.75 2e7n h SER 2 Ca 0.00 0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 60.36 2e7n h SER 2 Cb 0.00 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 62.48 2e7n h SER 2 CO 0.00 0.13 -0.60 -0.55 -1.14 0.00 0.00 176.83 174.67 2e7n s SER 3 N -5.38 5.43 -0.41 3.07 0.15 -1.26 -4.75 113.70 110.55 2e7n s SER 3 Ca -0.13 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 2e7n s SER 3 Cb 0.17 -1.54 0.20 0.00 -1.71 0.00 0.00 66.02 63.15 2e7n s SER 3 CO 0.75 0.33 0.94 -0.83 1.20 0.00 0.00 173.24 175.63 2e7n s GLY 4 N -1.30 -1.64 -1.40 9.45 0.00 -1.26 -4.97 107.32 106.20 2e7n s GLY 4 Ca 0.18 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 2e7n s GLY 4 CO 0.08 4.04 1.05 1.44 0.00 0.00 0.00 173.10 179.71 2e7n n SER 5 N 2.81 -4.86 -4.71 1.64 7.64 -1.26 -4.80 113.62 110.09 2e7n n SER 5 Ca 0.14 -0.66 -0.63 0.00 1.01 0.00 0.00 58.87 58.73 2e7n n SER 5 Cb 0.61 -4.56 -0.09 0.00 -1.01 0.00 0.00 64.21 59.16 2e7n n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e7n n SER 6 N -2.97 1.73 -4.57 6.43 2.88 -1.26 -4.75 113.62 111.11 2e7n n SER 6 Ca -0.04 1.10 -0.25 0.00 -1.33 0.00 0.00 58.87 58.35 2e7n n SER 6 Cb 0.57 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.97 2e7n n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e7n s GLY 7 N 3.47 -0.03 0.00 0.46 0.00 -1.26 -4.84 107.32 105.12 2e7n s GLY 7 Ca 1.03 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2e7n s GLY 7 CO 0.74 3.65 0.00 0.61 0.00 0.00 0.00 173.10 178.10 2e7n n GLY 8 N 6.51 2.65 3.95 0.20 0.00 -1.26 -4.72 105.19 112.52 2e7n n GLY 8 Ca 0.42 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 2.36 0.16 1.61 -0.14 -1.26 -5.04 119.74 117.42 2e7n s LYS 9 Ca 0.00 -1.75 -0.31 0.00 -1.36 0.00 0.00 55.97 52.54 2e7n s LYS 9 Cb 0.00 -2.38 -0.17 0.00 -1.68 0.00 0.00 37.83 33.59 2e7n s LYS 9 CO 0.00 -0.61 0.76 1.28 -0.76 0.00 0.00 175.35 176.02 2e7n n LEU 10 N -1.90 -0.39 -4.67 3.17 4.77 -1.26 -4.88 117.00 111.84 2e7n n LEU 10 Ca 0.06 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.88 2e7n n LEU 10 Cb 0.63 -1.00 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 2e7n n LEU 10 CO 0.40 -2.41 0.67 -0.55 -1.33 0.00 0.00 177.39 174.16 2e7n s SER 11 N -0.62 2.99 0.34 -1.43 0.15 -1.26 -4.64 113.70 109.22 2e7n s SER 11 Ca 0.71 2.03 0.12 0.00 0.70 0.00 0.00 55.95 59.51 2e7n s SER 11 Cb -0.98 -2.52 0.93 0.00 -1.71 0.00 0.00 66.02 61.75 2e7n s SER 11 CO 0.56 -3.03 1.75 -0.08 1.20 0.00 0.00 173.24 173.64 2e7n h GLU 12 N -1.82 0.54 0.00 5.44 4.81 -2.00 -2.08 114.58 119.48 2e7n h GLU 12 Ca -0.45 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.60 2e7n h GLU 12 Cb 1.27 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2e7n h GLU 12 CO 0.45 0.36 -0.87 0.45 -0.73 0.00 0.00 179.01 178.66 2e7n h HIS 13 N 0.55 0.00 -0.69 0.92 3.86 -2.01 -3.40 115.15 114.38 2e7n h HIS 13 Ca 0.62 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.89 2e7n h HIS 13 Cb 1.25 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 2e7n h HIS 13 CO -0.00 1.12 -0.41 1.28 0.86 0.00 0.00 177.93 180.78 2e7n n LEU 14 N -4.51 -0.73 -0.27 2.43 4.77 -1.00 0.87 117.00 118.56 2e7n n LEU 14 Ca -0.23 1.35 0.13 0.00 -0.03 0.00 0.00 56.01 57.23 2e7n n LEU 14 Cb 0.55 -0.22 0.25 0.00 -2.33 0.00 0.00 43.42 41.68 2e7n n LEU 14 CO 0.19 -1.06 0.64 -2.11 -1.33 0.00 0.00 177.39 173.72 2e7n n ARG 15 N -4.68 -0.06 -0.03 3.23 1.85 -0.81 0.12 116.66 116.27 2e7n n ARG 15 Ca 0.01 1.15 -0.15 0.00 -1.00 0.00 0.00 57.85 57.87 2e7n n ARG 15 Cb 0.18 -1.86 -0.09 0.00 -1.05 0.00 0.00 32.46 29.64 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 0.44 -0.27 2.89 5.03 0.26 -3.30 116.97 122.03 2e7n h TYR 16 Ca 0.49 -0.19 0.06 0.00 2.58 0.00 0.00 58.73 61.67 2e7n h TYR 16 Cb 1.05 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 39.21 2e7n h TYR 16 CO -0.35 0.92 -0.09 0.00 -1.32 0.00 0.00 178.16 177.31 2e7n n ASP 18 N -5.26 0.13 0.11 0.00 2.03 0.77 0.11 116.55 114.43 2e7n n ASP 18 Ca -0.01 1.33 -0.13 0.00 0.52 0.00 0.00 54.79 56.50 2e7n n ASP 18 Cb 0.18 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.92 2e7n n ASP 18 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2e7n h SER 19 N 0.00 -0.21 -1.18 1.67 4.64 -1.48 -2.67 113.55 114.31 2e7n h SER 19 Ca 0.60 -0.15 0.34 0.00 -0.47 0.00 0.00 61.79 62.11 2e7n h SER 19 Cb 1.46 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.56 2e7n h SER 19 CO -0.67 0.03 1.22 -0.38 -0.87 0.00 0.00 176.83 176.16 2e7n n ILE 20 N -5.11 0.00 -0.07 0.95 5.41 0.30 0.91 119.36 121.75 2e7n n ILE 20 Ca -0.09 1.25 -0.13 0.00 1.00 0.00 0.00 62.75 64.78 2e7n n ILE 20 Cb 0.19 -2.21 -0.11 0.00 -0.71 0.00 0.00 39.64 36.80 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 -1.28 1.39 5.85 -1.37 -3.10 115.31 116.80 2e7n h LEU 21 Ca 0.56 -0.79 0.19 0.00 0.84 0.00 0.00 57.88 58.68 2e7n h LEU 21 Cb 2.99 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 43.94 2e7n h LEU 21 CO -0.01 0.99 0.61 0.08 -0.34 0.00 0.00 178.44 179.77 2e7n h ARG 22 N -1.00 0.59 0.22 1.25 0.11 0.57 -1.63 114.38 114.49 2e7n h ARG 22 Ca -0.04 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2e7n h ARG 22 Cb 0.90 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2e7n h ARG 22 CO -0.03 0.39 -0.10 1.49 0.10 0.00 0.00 179.97 181.82 2e7n h GLU 23 N 0.60 -0.28 -0.55 0.08 4.81 -1.44 -2.92 114.58 114.88 2e7n h GLU 23 Ca 0.51 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.92 2e7n h GLU 23 Cb 0.99 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2e7n h GLU 23 CO -0.26 0.05 0.46 0.52 -0.73 0.00 0.00 179.01 179.04 2e7n h MET 24 N -0.64 0.00 -0.99 1.92 2.86 -1.26 0.29 114.93 117.11 2e7n h MET 24 Ca -0.03 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.30 2e7n h MET 24 Cb 0.46 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.93 2e7n h MET 24 CO 0.05 0.00 0.39 1.28 1.06 0.00 0.00 176.91 179.69 2e7n n LEU 25 N -4.08 5.27 -4.77 1.22 4.77 -0.69 -4.29 117.00 114.43 2e7n n LEU 25 Ca 0.10 -2.78 -0.37 0.00 -0.03 0.00 0.00 56.01 52.94 2e7n n LEU 25 Cb 0.68 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2e7n n LEU 25 CO 0.33 0.83 -0.03 -0.94 -1.33 0.00 0.00 177.39 176.25 2e7n s SER 26 N -0.43 6.47 0.36 -1.43 1.04 0.10 -4.90 113.70 114.91 2e7n s SER 26 Ca 0.35 0.56 0.27 0.00 0.48 0.00 0.00 55.95 57.61 2e7n s SER 26 Cb 0.30 -2.17 1.20 0.00 0.10 0.00 0.00 66.02 65.44 2e7n s SER 26 CO 0.07 0.20 1.24 1.17 0.98 0.00 0.00 173.24 176.89 2e7n n LYS 27 N 3.00 -0.03 0.39 4.02 3.00 -1.26 0.81 118.16 128.08 2e7n n LYS 27 Ca -0.14 0.98 -0.18 0.00 -0.00 0.00 0.00 58.31 58.97 2e7n n LYS 27 Cb 0.52 -1.96 -0.09 0.00 0.00 0.00 0.00 35.03 33.51 2e7n n LYS 27 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2e7n h LYS 28 N 0.00 -0.96 -0.11 1.64 3.64 -1.92 -3.00 116.57 115.86 2e7n h LYS 28 Ca 0.70 0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 60.02 2e7n h LYS 28 Cb 2.30 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 34.33 2e7n h LYS 28 CO -0.34 -0.64 -0.49 0.45 -2.27 0.00 0.00 179.45 176.15 2e7n h HIS 29 N -1.00 0.34 -0.64 1.91 3.86 0.13 -3.24 115.15 116.52 2e7n h HIS 29 Ca -0.09 -0.11 0.20 0.00 -1.16 0.00 0.00 60.37 59.20 2e7n h HIS 29 Cb 0.78 -0.07 -0.12 0.00 1.06 0.00 0.00 27.41 29.06 2e7n h HIS 29 CO -0.05 0.72 0.09 0.00 0.86 0.00 0.00 177.93 179.55 2e7n n ALA 30 N -2.48 0.40 -0.31 2.45 0.00 0.54 0.97 120.51 122.09 2e7n n ALA 30 Ca -0.02 0.68 -0.00 0.00 0.00 0.00 0.00 53.44 54.09 2e7n n ALA 30 Cb 0.54 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 1.28 0.26 -0.17 0.00 0.00 -1.65 0.24 119.26 119.22 2e7n h ALA 31 Ca 0.42 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.55 2e7n h ALA 31 Cb 0.94 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2e7n h ALA 31 CO -0.58 -0.56 -0.10 2.48 0.00 0.00 0.00 179.25 180.50 2e7n n TYR 32 N -5.50 0.57 -0.43 0.00 0.18 0.27 -4.47 117.16 107.78 2e7n n TYR 32 Ca 0.10 -1.21 0.00 0.00 1.88 0.00 0.00 57.90 58.67 2e7n n TYR 32 Cb 0.40 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 39.06 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 -1.04 1.30 0.07 -3.48 0.00 0.10 -4.27 120.51 113.19 2e7n n ALA 33 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2e7n n ALA 33 Cb 0.83 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.20 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 0.04 -0.05 0.00 5.08 -0.80 -3.23 115.95 116.98 2e7n h TRP 34 Ca 0.00 -0.03 0.02 0.00 1.08 0.00 0.00 58.89 59.96 2e7n h TRP 34 Cb 0.21 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 2e7n h TRP 34 CO 0.00 0.96 0.61 -1.35 -1.28 0.00 0.00 178.44 177.39 2e7n h PRO 35 N 0.01 0.00 -1.17 0.12 0.11 -1.85 0.28 132.00 129.50 2e7n h PRO 35 Ca -0.02 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.55 2e7n h PRO 35 Cb 1.68 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 32.37 2e7n h PRO 35 CO 0.13 0.00 -0.82 1.19 -0.21 0.00 0.00 178.00 178.29 2e7n n PHE 36 N -2.80 2.89 -0.06 0.65 3.01 -1.22 -4.70 117.46 115.23 2e7n n PHE 36 Ca 0.00 -2.75 -0.04 0.00 1.01 0.00 0.00 57.45 55.67 2e7n n PHE 36 Cb 0.66 -0.20 -0.12 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.52 0.00 -3.63 1.38 4.02 0.97 -3.01 117.16 116.37 2e7n n TYR 37 Ca 0.36 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.12 2e7n n TYR 37 Cb 0.78 -0.67 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 2e7n n TYR 37 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2e7n s LYS 38 N -2.56 0.96 0.97 -0.72 0.00 -1.26 -4.40 119.74 112.73 2e7n s LYS 38 Ca -0.07 -0.32 -0.12 0.00 0.00 0.00 0.00 55.97 55.46 2e7n s LYS 38 Cb 0.06 0.43 0.17 0.00 0.00 0.00 0.00 37.83 38.49 2e7n s LYS 38 CO 0.65 -0.34 1.09 -1.25 0.00 0.00 0.00 175.35 175.50 2e7n s PRO 39 N -2.46 0.67 -0.10 1.78 0.04 -1.26 -5.05 135.00 128.62 2e7n s PRO 39 Ca -0.05 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.63 2e7n s PRO 39 Cb -0.01 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.78 2e7n s PRO 39 CO -0.02 -2.59 -0.19 0.54 0.04 0.00 0.00 177.00 174.77 2e7n s VAL 40 N -2.95 1.74 -1.10 -0.36 0.11 -1.26 -5.06 120.40 111.52 2e7n s VAL 40 Ca 0.65 -0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 58.65 2e7n s VAL 40 Cb -0.18 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2e7n s VAL 40 CO 0.57 0.49 1.86 -0.62 -3.33 0.00 0.00 175.10 174.08 2e7n s ASP 41 N 0.56 5.45 0.02 3.54 -1.08 -1.26 -4.81 116.67 119.10 2e7n s ASP 41 Ca -0.15 -1.46 -0.13 0.00 -0.52 0.00 0.00 52.55 50.28 2e7n s ASP 41 Cb -0.17 -2.58 -0.07 0.00 -1.46 0.00 0.00 42.92 38.64 2e7n s ASP 41 CO 0.05 -2.57 1.20 0.00 0.52 0.00 0.00 175.17 174.38 2e7n h ALA 42 N 9.89 -1.11 -0.94 3.66 0.00 -1.92 -0.47 119.26 128.38 2e7n h ALA 42 Ca 0.21 -0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.40 2e7n h ALA 42 Cb 0.96 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 2e7n h ALA 42 CO 1.27 -1.08 0.52 0.39 0.00 0.00 0.00 179.25 180.35 2e7n n GLU 43 N -3.32 -0.05 -0.02 0.00 -0.58 -1.26 0.95 120.64 116.35 2e7n n GLU 43 Ca -0.06 1.23 -0.13 0.00 -0.42 0.00 0.00 57.16 57.77 2e7n n GLU 43 Cb 0.19 -2.23 -0.10 0.00 -0.57 0.00 0.00 31.44 28.74 2e7n n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e7n h ALA 44 N 1.75 0.03 -0.14 0.62 0.00 -1.90 -3.18 119.26 116.44 2e7n h ALA 44 Ca 0.77 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 2e7n h ALA 44 Cb 2.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 2e7n h ALA 44 CO -0.66 -0.17 0.12 1.28 0.00 0.00 0.00 179.25 179.82 2e7n n LEU 45 N -4.78 5.22 -3.67 0.00 4.77 0.27 -4.79 117.00 114.02 2e7n n LEU 45 Ca -0.08 -2.49 -0.30 0.00 -0.03 0.00 0.00 56.01 53.11 2e7n n LEU 45 Cb 0.30 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2e7n n LEU 45 CO 0.34 0.97 -0.12 -0.62 -1.33 0.00 0.00 177.39 176.63 2e7n n GLU 46 N 0.97 -0.80 -1.65 3.23 -0.58 -0.77 -4.75 120.64 116.29 2e7n n GLU 46 Ca 0.09 0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 2e7n n GLU 46 Cb 0.55 -3.31 0.06 0.00 -0.57 0.00 0.00 31.44 28.17 2e7n n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2e7n n LEU 47 N -3.05 7.08 -0.30 -4.62 4.77 -0.56 -4.73 117.00 115.59 2e7n n LEU 47 Ca 0.07 -4.55 0.33 0.00 -0.03 0.00 0.00 56.01 51.83 2e7n n LEU 47 Cb 0.33 -0.88 0.73 0.00 -2.33 0.00 0.00 43.42 41.27 2e7n n LEU 47 CO 0.68 1.68 1.31 0.45 -1.33 0.00 0.00 177.39 180.19 2e7n h HIS 48 N 2.31 0.06 -0.41 -1.77 3.86 -1.85 0.59 115.15 117.94 2e7n h HIS 48 Ca 0.55 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.75 2e7n h HIS 48 Cb 0.72 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 2e7n h HIS 48 CO 1.25 0.00 0.22 -0.44 0.86 0.00 0.00 177.93 179.82 2e7n h ASP 49 N 0.03 0.49 -0.78 2.45 3.32 -1.97 -2.37 116.42 117.59 2e7n h ASP 49 Ca 0.55 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.65 2e7n h ASP 49 Cb 2.13 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 41.49 2e7n h ASP 49 CO -0.03 0.40 0.45 0.22 -1.72 0.00 0.00 179.24 178.56 2e7n h TYR 50 N 0.56 0.81 -0.47 4.55 5.03 -0.20 0.26 116.97 127.51 2e7n h TYR 50 Ca 0.15 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.28 2e7n h TYR 50 Cb 0.03 -0.25 -0.12 0.00 1.55 0.00 0.00 36.73 37.94 2e7n h TYR 50 CO 0.00 0.35 0.26 0.72 -1.32 0.00 0.00 178.16 178.17 2e7n n HIS 51 N -4.75 1.51 -0.00 -3.82 8.25 -0.90 -3.30 115.22 112.21 2e7n n HIS 51 Ca 0.12 -1.00 -0.00 0.00 -0.26 0.00 0.00 57.72 56.58 2e7n n HIS 51 Cb 0.24 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 2e7n n HIS 51 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2e7n n ASP 52 N -0.19 4.07 -0.06 0.41 9.92 0.05 -4.83 116.55 125.92 2e7n n ASP 52 Ca 0.27 -0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.31 2e7n n ASP 52 Cb 1.03 0.05 -0.12 0.00 -0.64 0.00 0.00 41.12 41.43 2e7n n ASP 52 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2e7n n ILE 53 N -2.46 1.64 -2.50 0.53 -0.00 -1.03 -4.79 119.36 110.76 2e7n n ILE 53 Ca -0.01 -0.29 -0.42 0.00 -0.00 0.00 0.00 62.75 62.03 2e7n n ILE 53 Cb 0.51 -1.92 -0.02 0.00 -0.00 0.00 0.00 39.64 38.21 2e7n n ILE 53 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2e7n s ILE 54 N -2.45 3.95 0.02 1.39 -1.09 -1.21 -4.91 121.20 116.91 2e7n s ILE 54 Ca -0.26 0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 58.76 2e7n s ILE 54 Cb 0.06 -4.56 -0.16 0.00 -1.58 0.00 0.00 42.46 36.22 2e7n s ILE 54 CO 0.66 -1.18 1.23 0.11 -1.23 0.00 0.00 174.94 174.53 2e7n h LYS 55 N 10.12 -0.70 -3.01 2.79 1.79 -1.90 -3.41 116.57 122.25 2e7n h LYS 55 Ca -0.26 0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 57.65 2e7n h LYS 55 Cb 1.07 0.16 -0.40 0.00 -1.58 0.00 0.00 32.23 31.48 2e7n h LYS 55 CO 1.17 -0.40 -0.74 -1.01 -1.08 0.00 0.00 179.45 177.39 2e7n s HIS 56 N -4.86 1.91 0.38 -1.35 3.76 -1.26 -5.09 115.29 108.77 2e7n s HIS 56 Ca -0.15 -2.35 -0.26 0.00 -0.15 0.00 0.00 55.06 52.15 2e7n s HIS 56 Cb 0.02 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.79 2e7n s HIS 56 CO 0.50 -0.79 1.20 -1.25 -0.85 0.00 0.00 174.74 173.54 2e7n s PRO 57 N 0.47 4.16 0.05 8.40 0.04 -1.26 -4.97 135.00 141.88 2e7n s PRO 57 Ca 0.17 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.17 2e7n s PRO 57 Cb -0.24 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 2e7n s PRO 57 CO -0.01 -0.26 -0.09 1.41 0.04 0.00 0.00 177.00 178.09 2e7n s MET 58 N -2.11 0.59 0.05 4.56 1.75 -1.26 -5.08 119.30 117.80 2e7n s MET 58 Ca 0.54 -0.80 -0.07 0.00 -1.25 0.00 0.00 55.69 54.11 2e7n s MET 58 Cb -0.33 -0.41 -0.01 0.00 2.84 0.00 0.00 34.83 36.92 2e7n s MET 58 CO 0.42 0.08 0.13 0.34 -0.65 0.00 0.00 175.02 175.35 2e7n s ASP 59 N -1.62 0.15 0.25 1.11 -1.08 -1.26 -4.67 116.67 109.56 2e7n s ASP 59 Ca -0.08 -0.56 -0.05 0.00 -0.52 0.00 0.00 52.55 51.34 2e7n s ASP 59 Cb -0.10 0.27 0.48 0.00 -1.46 0.00 0.00 42.92 42.11 2e7n s ASP 59 CO 0.01 -0.58 1.64 -0.07 0.52 0.00 0.00 175.17 176.69 2e7n h LEU 60 N 3.36 -0.25 -1.00 -1.34 3.38 -1.87 0.11 115.31 117.70 2e7n h LEU 60 Ca -0.33 0.19 0.35 0.00 0.09 0.00 0.00 57.88 58.18 2e7n h LEU 60 Cb 1.19 0.31 -0.18 0.00 0.09 0.00 0.00 40.66 42.07 2e7n h LEU 60 CO 0.52 -0.16 0.32 -1.28 0.09 0.00 0.00 178.44 177.93 2e7n h SER 61 N 0.14 -0.03 -0.16 -0.43 0.87 -1.77 0.92 113.55 113.10 2e7n h SER 61 Ca 0.43 0.27 -0.21 0.00 -1.23 0.00 0.00 61.79 61.05 2e7n h SER 61 Cb 0.78 0.36 0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2e7n h SER 61 CO -0.64 -0.39 -0.71 0.74 -0.53 0.00 0.00 176.83 175.30 2e7n h THR 62 N 0.01 1.29 0.75 2.23 2.02 -1.18 -3.06 112.91 114.98 2e7n h THR 62 Ca 0.74 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 2e7n h THR 62 Cb 1.79 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 70.18 2e7n h THR 62 CO -0.83 0.61 -0.36 0.58 0.37 0.00 0.00 175.52 175.88 2e7n h VAL 63 N 0.49 0.00 -0.80 3.16 2.07 1.00 -0.86 116.25 121.30 2e7n h VAL 63 Ca -0.04 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.63 2e7n h VAL 63 Cb 1.34 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.96 2e7n h VAL 63 CO 0.15 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.14 2e7n h LYS 64 N -1.04 0.04 0.67 1.57 1.63 -0.99 0.13 116.57 118.59 2e7n h LYS 64 Ca -0.10 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2e7n h LYS 64 Cb 0.77 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 2e7n h LYS 64 CO 0.17 0.03 -0.37 0.00 -3.45 0.00 0.00 179.45 175.82 2e7n h ARG 65 N 0.04 -0.93 -0.50 1.90 2.47 -1.45 -0.13 114.38 115.78 2e7n h ARG 65 Ca 0.42 0.06 0.09 0.00 -1.26 0.00 0.00 59.98 59.29 2e7n h ARG 65 Cb 0.71 0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 29.14 2e7n h ARG 65 CO -0.77 -0.62 -0.35 0.87 0.56 0.00 0.00 179.97 179.66 2e7n h LYS 66 N -0.96 -0.21 -0.76 0.04 1.57 -0.31 0.56 116.57 116.50 2e7n h LYS 66 Ca -0.09 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2e7n h LYS 66 Cb 0.76 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.04 2e7n h LYS 66 CO 0.12 -0.14 0.39 1.98 -0.57 0.00 0.00 179.45 181.23 2e7n h MET 67 N -0.21 0.61 -0.39 3.15 4.05 -0.72 0.21 114.93 121.62 2e7n h MET 67 Ca 0.20 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.66 2e7n h MET 67 Cb 0.55 -0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 31.12 2e7n h MET 67 CO -0.62 0.40 -0.32 0.22 0.23 0.00 0.00 176.91 176.82 2e7n h ASP 68 N 0.63 -1.07 -0.16 1.39 1.82 0.11 0.22 116.42 119.35 2e7n h ASP 68 Ca 0.39 0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 57.14 2e7n h ASP 68 Cb 0.45 0.50 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 2e7n h ASP 68 CO -0.30 -0.32 0.10 0.61 -1.61 0.00 0.00 179.24 177.72 2e7n n GLY 69 N -1.42 2.33 3.09 -0.78 0.00 -0.86 -4.81 105.19 102.75 2e7n n GLY 69 Ca 0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 0.20 -2.57 -0.26 1.61 5.12 0.76 -4.77 116.66 116.75 2e7n n ARG 70 Ca 0.10 0.24 0.10 0.00 -1.93 0.00 0.00 57.85 56.35 2e7n n ARG 70 Cb 0.66 -4.82 0.35 0.00 -1.16 0.00 0.00 32.46 27.49 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 -0.41 0.73 -6.21 5.56 4.39 -1.15 -3.40 114.58 114.09 2e7n h GLU 71 Ca -0.27 -0.04 -0.56 0.00 0.34 0.00 0.00 59.36 58.83 2e7n h GLU 71 Cb 1.18 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 2e7n h GLU 71 CO 0.36 0.48 0.78 0.71 -1.16 0.00 0.00 179.01 180.18 2e7n s TYR 72 N -5.71 3.10 0.22 4.33 2.02 -1.26 -4.91 117.35 115.13 2e7n s TYR 72 Ca -0.10 1.20 0.24 0.00 -0.37 0.00 0.00 57.07 58.04 2e7n s TYR 72 Cb 0.21 -3.41 1.03 0.00 -0.40 0.00 0.00 41.96 39.39 2e7n s TYR 72 CO 0.79 -1.25 1.88 -1.00 -1.57 0.00 0.00 175.55 174.39 2e7n h PRO 73 N 7.72 0.00 -3.04 -1.71 0.13 -1.97 -3.46 132.00 129.66 2e7n h PRO 73 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2e7n h PRO 73 Cb 1.12 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 2e7n h PRO 73 CO 0.93 0.22 0.19 -0.51 -0.23 0.00 0.00 178.00 178.60 2e7n s ASP 74 N -6.22 -0.38 0.34 1.44 1.01 -1.26 -4.83 116.67 106.77 2e7n s ASP 74 Ca -0.00 -0.37 0.14 0.00 0.71 0.00 0.00 52.55 53.03 2e7n s ASP 74 Cb 0.11 0.66 1.05 0.00 1.01 0.00 0.00 42.92 45.76 2e7n s ASP 74 CO 0.63 -1.17 1.67 0.00 0.21 0.00 0.00 175.17 176.51 2e7n h ALA 75 N 2.03 1.91 -0.63 5.23 0.00 -1.93 0.26 119.26 126.13 2e7n h ALA 75 Ca -0.26 0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2e7n h ALA 75 Cb 1.27 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 2e7n h ALA 75 CO 0.31 -0.54 0.15 1.96 0.00 0.00 0.00 179.25 181.13 2e7n h GLN 76 N 0.34 0.27 -0.03 0.00 7.50 -1.99 -1.25 115.11 119.96 2e7n h GLN 76 Ca 0.72 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.85 2e7n h GLN 76 Cb 1.61 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 29.08 2e7n h GLN 76 CO -0.60 0.18 0.02 0.78 -1.50 0.00 0.00 178.83 177.71 2e7n h GLY 77 N 0.28 0.04 0.43 3.46 0.00 -0.86 0.17 103.07 106.58 2e7n h GLY 77 Ca 0.33 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.66 2e7n h GLY 77 CO -0.41 0.02 -0.36 -2.75 0.00 0.00 0.00 176.54 173.03 2e7n h PHE 78 N 0.00 -0.99 0.04 5.60 3.57 -1.23 -2.84 116.94 121.08 2e7n h PHE 78 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2e7n h PHE 78 Cb 0.03 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2e7n h PHE 78 CO -0.06 -0.48 -0.02 0.00 -2.23 0.00 0.00 178.31 175.52 2e7n h ALA 79 N -0.08 -0.06 -0.71 2.41 0.00 -1.22 -3.03 119.26 116.58 2e7n h ALA 79 Ca 0.02 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2e7n h ALA 79 Cb 0.63 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 2e7n h ALA 79 CO -0.18 -0.53 -0.32 0.00 0.00 0.00 0.00 179.25 178.22 2e7n n ALA 80 N -2.13 -0.18 0.16 0.00 0.00 0.58 0.44 120.51 119.38 2e7n n ALA 80 Ca -0.07 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 53.91 2e7n n ALA 80 Cb 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.53 -0.16 0.00 5.19 -1.40 -1.21 116.42 118.31 2e7n h ASP 81 Ca 0.21 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.72 2e7n h ASP 81 Cb 0.39 0.18 -0.07 0.00 0.18 0.00 0.00 39.33 40.01 2e7n h ASP 81 CO -0.70 -0.31 -0.33 0.58 -3.12 0.00 0.00 179.24 175.36 2e7n h VAL 82 N -0.46 0.27 -0.55 -1.35 2.07 0.07 -0.43 116.25 115.87 2e7n h VAL 82 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2e7n h VAL 82 Cb 0.42 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2e7n h VAL 82 CO -0.02 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.73 2e7n h ARG 83 N -0.39 0.27 -1.00 1.57 3.08 -0.48 -0.77 114.38 116.66 2e7n h ARG 83 Ca 0.10 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2e7n h ARG 83 Cb 0.55 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2e7n h ARG 83 CO -0.37 0.18 0.65 1.25 -1.07 0.00 0.00 179.97 180.61 2e7n h LEU 84 N 0.28 1.05 -0.44 3.04 5.85 -0.34 -1.35 115.31 123.41 2e7n h LEU 84 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2e7n h LEU 84 Cb 0.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2e7n h LEU 84 CO -0.34 0.68 0.29 -0.03 -0.34 0.00 0.00 178.44 178.70 2e7n h MET 85 N 1.20 0.58 -0.63 1.25 4.05 0.36 -1.64 114.93 120.10 2e7n h MET 85 Ca 0.42 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.75 2e7n h MET 85 Cb 0.13 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 2e7n h MET 85 CO -0.16 0.39 0.15 0.74 0.23 0.00 0.00 176.91 178.26 2e7n h PHE 86 N 0.60 1.03 0.39 1.39 0.04 -0.78 -1.96 116.94 117.65 2e7n h PHE 86 Ca 0.16 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2e7n h PHE 86 Cb -0.06 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.79 2e7n h PHE 86 CO -0.04 0.85 -0.19 1.03 -0.60 0.00 0.00 178.31 179.36 2e7n h SER 87 N 0.95 -0.45 -0.68 2.17 0.87 -0.83 -2.98 113.55 112.59 2e7n h SER 87 Ca 0.20 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 2e7n h SER 87 Cb 0.34 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2e7n h SER 87 CO 0.00 -0.28 0.40 0.78 -0.53 0.00 0.00 176.83 177.20 2e7n h ASN 88 N -0.58 0.61 0.00 6.23 2.35 -1.24 -1.65 115.58 121.29 2e7n h ASN 88 Ca -0.05 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2e7n h ASN 88 Cb 0.43 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2e7n h ASN 88 CO 0.09 0.40 0.00 0.00 -1.65 0.00 0.00 177.43 176.27 2e7n h TYR 90 N 0.00 1.13 -1.58 0.00 0.05 -1.61 -1.96 116.97 113.00 2e7n h TYR 90 Ca 0.00 -0.21 0.48 0.00 0.05 0.00 0.00 58.73 59.05 2e7n h TYR 90 Cb 0.00 -0.29 -0.09 0.00 1.01 0.00 0.00 36.73 37.37 2e7n h TYR 90 CO -0.54 1.02 1.11 1.17 -1.05 0.00 0.00 178.16 179.87 2e7n n LYS 91 N -4.20 -0.01 -0.02 4.88 0.00 0.00 -2.54 118.16 116.28 2e7n n LYS 91 Ca 0.02 0.99 -0.03 0.00 0.00 0.00 0.00 58.31 59.29 2e7n n LYS 91 Cb 0.36 -2.19 -0.01 0.00 0.00 0.00 0.00 35.03 33.20 2e7n n LYS 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2e7n n TYR 92 N -3.91 0.00 -1.49 5.64 9.36 -0.74 -4.89 117.16 121.13 2e7n n TYR 92 Ca 0.38 0.00 -0.50 0.00 3.32 0.00 0.00 57.90 61.10 2e7n n TYR 92 Cb 1.66 -0.16 -0.04 0.00 -0.63 0.00 0.00 39.34 40.17 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 -3.32 -0.03 -4.73 2.98 3.02 -0.75 -4.92 115.26 107.51 2e7n n ASN 93 Ca -0.04 1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 55.35 2e7n n ASN 93 Cb 0.16 -1.06 0.13 0.00 -0.61 0.00 0.00 39.78 38.40 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 -0.76 1.47 0.21 3.52 0.04 -1.26 -4.72 135.00 133.50 2e7n s PRO 94 Ca 0.70 0.89 0.22 0.00 0.04 0.00 0.00 61.00 62.85 2e7n s PRO 94 Cb -0.94 -1.83 0.91 0.00 0.04 0.00 0.00 34.50 32.69 2e7n s PRO 94 CO 0.56 -2.11 1.66 -0.35 0.04 0.00 0.00 177.00 176.80 2e7n n PRO 95 N -3.80 0.16 -0.81 0.56 -0.04 -1.26 -2.18 135.00 127.62 2e7n n PRO 95 Ca 0.07 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 2e7n n PRO 95 Cb 0.55 -1.80 0.38 0.00 -0.04 0.00 0.00 33.50 32.59 2e7n n PRO 95 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2e7n n ASP 96 N -2.10 5.39 -4.85 3.54 2.03 -1.26 -4.95 116.55 114.35 2e7n n ASP 96 Ca 0.02 -2.90 -0.37 0.00 0.52 0.00 0.00 54.79 52.06 2e7n n ASP 96 Cb 0.21 -0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 39.90 2e7n n ASP 96 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2e7n s HIS 97 N -2.69 3.68 -0.02 -0.67 2.46 -0.93 -5.01 115.29 112.10 2e7n s HIS 97 Ca 0.53 0.82 -0.25 0.00 0.47 0.00 0.00 55.06 56.63 2e7n s HIS 97 Cb 0.40 -2.16 -0.20 0.00 -0.13 0.00 0.00 32.58 30.49 2e7n s HIS 97 CO 0.16 0.67 1.23 1.05 -2.47 0.00 0.00 174.74 175.38 2e7n h GLU 98 N 4.71 0.09 -1.53 2.88 4.11 -1.92 -3.14 114.58 119.78 2e7n h GLU 98 Ca -0.53 -0.05 0.48 0.00 0.07 0.00 0.00 59.36 59.33 2e7n h GLU 98 Cb 1.22 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 2e7n h GLU 98 CO 0.61 0.61 1.04 -0.24 0.07 0.00 0.00 179.01 181.10 2e7n h VAL 99 N -0.42 0.10 -0.79 -1.06 3.04 -1.96 0.83 116.25 115.98 2e7n h VAL 99 Ca 0.00 -0.02 0.07 0.00 -1.01 0.00 0.00 66.70 65.75 2e7n h VAL 99 Cb 0.60 0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.87 2e7n h VAL 99 CO 0.01 0.01 0.47 0.58 -1.01 0.00 0.00 177.57 177.63 2e7n h VAL 100 N 0.04 0.98 -0.10 1.51 2.07 -1.89 0.13 116.25 119.00 2e7n h VAL 100 Ca 0.84 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.94 2e7n h VAL 100 Cb 2.96 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2e7n h VAL 100 CO -0.26 0.15 -0.56 0.00 0.02 0.00 0.00 177.57 176.93 2e7n h ALA 101 N 1.40 0.86 -0.31 1.67 0.00 0.52 -3.12 119.26 120.28 2e7n h ALA 101 Ca 0.36 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2e7n h ALA 101 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2e7n h ALA 101 CO -0.20 0.70 -0.45 0.52 0.00 0.00 0.00 179.25 179.81 2e7n h MET 102 N 0.23 0.81 -0.10 0.00 2.07 -1.04 -3.16 114.93 113.74 2e7n h MET 102 Ca 0.00 -0.46 0.03 0.00 -2.07 0.00 0.00 59.70 57.21 2e7n h MET 102 Cb 1.05 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.78 2e7n h MET 102 CO 0.09 1.09 -0.12 0.00 1.07 0.00 0.00 176.91 179.04 2e7n h ALA 103 N 0.84 -0.05 -0.18 6.32 0.00 -0.73 -2.77 119.26 122.68 2e7n h ALA 103 Ca 0.04 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2e7n h ALA 103 Cb 1.03 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2e7n h ALA 103 CO 0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 179.25 178.52 2e7n h ARG 104 N -0.16 -0.27 -1.52 0.00 3.08 -1.57 -0.03 114.38 113.91 2e7n h ARG 104 Ca 0.08 0.02 0.50 0.00 0.07 0.00 0.00 59.98 60.64 2e7n h ARG 104 Cb 0.27 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.26 2e7n h ARG 104 CO -0.19 -0.18 1.02 1.63 -1.07 0.00 0.00 179.97 181.17 2e7n n LYS 105 N -5.37 -0.03 0.04 0.04 5.02 -1.05 0.12 118.16 116.92 2e7n n LYS 105 Ca -0.02 1.19 -0.22 0.00 -2.02 0.00 0.00 58.31 57.24 2e7n n LYS 105 Cb 0.29 -2.44 -0.14 0.00 -0.02 0.00 0.00 35.03 32.72 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 0.51 -0.85 -0.35 5.85 -1.05 -3.31 115.31 116.10 2e7n h LEU 106 Ca 0.88 -0.92 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2e7n h LEU 106 Cb 3.05 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 43.86 2e7n h LEU 106 CO -0.34 1.80 0.54 -0.61 -0.34 0.00 0.00 178.44 179.50 2e7n h GLN 107 N 0.09 0.98 0.76 1.25 4.15 0.24 0.24 115.11 122.81 2e7n h GLN 107 Ca -0.38 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 2e7n h GLN 107 Cb 2.07 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 29.54 2e7n h GLN 107 CO 0.13 0.65 -0.37 0.22 -1.93 0.00 0.00 178.83 177.54 2e7n h ASP 108 N 1.01 -0.87 -0.79 -0.69 3.58 -0.87 0.21 116.42 118.00 2e7n h ASP 108 Ca 0.36 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.84 2e7n h ASP 108 Cb 0.09 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 2e7n h ASP 108 CO -0.15 -0.62 0.50 1.62 -2.88 0.00 0.00 179.24 177.71 2e7n h VAL 109 N -1.02 1.22 -0.38 2.25 3.04 -1.60 -1.47 116.25 118.29 2e7n h VAL 109 Ca -0.10 -0.44 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2e7n h VAL 109 Cb 0.79 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2e7n h VAL 109 CO 0.17 0.22 0.20 0.15 -1.01 0.00 0.00 177.57 177.29 2e7n h PHE 110 N 1.08 0.53 0.50 3.17 3.57 -0.41 -1.64 116.94 123.75 2e7n h PHE 110 Ca 0.29 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2e7n h PHE 110 Cb -0.08 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2e7n h PHE 110 CO -0.01 0.43 -0.24 0.93 -2.23 0.00 0.00 178.31 177.19 2e7n h GLU 111 N 0.48 -0.65 -1.02 1.11 5.08 -0.25 -2.65 114.58 116.68 2e7n h GLU 111 Ca 0.13 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 58.85 2e7n h GLU 111 Cb 0.08 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.34 2e7n h GLU 111 CO -0.02 -0.43 0.59 0.00 -1.00 0.00 0.00 179.01 178.15 2e7n h MET 112 N -0.71 0.35 0.36 2.33 -0.00 -1.32 -1.40 114.93 114.53 2e7n h MET 112 Ca -0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 2e7n h MET 112 Cb 0.52 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 2e7n h MET 112 CO 0.11 0.23 -0.33 0.00 -0.00 0.00 0.00 176.91 176.92 2e7n h ARG 113 N 0.36 -0.66 -1.00 -0.10 2.47 -1.13 0.19 114.38 114.51 2e7n h ARG 113 Ca 0.72 0.04 0.35 0.00 -1.26 0.00 0.00 59.98 59.83 2e7n h ARG 113 Cb 1.63 0.15 -0.18 0.00 -1.65 0.00 0.00 29.97 29.91 2e7n h ARG 113 CO -0.56 -0.44 0.28 0.35 0.56 0.00 0.00 179.97 180.16 2e7n h PHE 114 N -0.68 0.38 0.02 3.04 3.04 -0.90 0.31 116.94 122.15 2e7n h PHE 114 Ca -0.05 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2e7n h PHE 114 Cb 0.59 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.10 2e7n h PHE 114 CO -0.17 -0.46 -0.01 0.00 -2.02 0.00 0.00 178.31 175.65 2e7n h ALA 115 N 2.00 -0.03 -0.74 2.41 0.00 -1.26 -3.24 119.26 118.39 2e7n h ALA 115 Ca 0.73 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.56 2e7n h ALA 115 Cb 1.74 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 2e7n h ALA 115 CO -0.85 -0.26 -0.09 1.63 0.00 0.00 0.00 179.25 179.69 2e7n n LYS 116 N -4.86 -0.06 0.00 0.00 4.76 0.11 -5.13 118.16 112.98 2e7n n LYS 116 Ca -0.09 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.49 2e7n n LYS 116 Cb 0.26 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2e7n n LYS 116 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91