#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 2.65 -0.01 1.61 0.01 -1.26 -5.12 113.70 111.57 2e7n s SER 2 Ca 0.00 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 2e7n s SER 2 Cb 0.00 -1.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2e7n s SER 2 CO 0.00 -0.06 0.51 -0.55 0.41 0.00 0.00 173.24 173.55 2e7n s SER 3 N 1.50 6.88 0.00 2.44 0.15 -1.26 -5.02 113.70 118.39 2e7n s SER 3 Ca 0.05 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2e7n s SER 3 Cb -0.13 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2e7n s SER 3 CO -0.10 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2e7n n GLY 4 N 2.30 -1.25 3.59 9.45 0.00 -1.26 -5.18 105.19 112.84 2e7n n GLY 4 Ca -0.10 0.95 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 2e7n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7n s SER 5 N 0.00 -0.24 0.02 1.61 0.15 -1.26 -5.18 113.70 108.81 2e7n s SER 5 Ca 0.00 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.85 2e7n s SER 5 Cb 0.00 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 2e7n s SER 5 CO 0.00 -0.27 -0.07 -0.94 1.20 0.00 0.00 173.24 173.15 2e7n s SER 6 N -1.47 0.84 1.29 5.45 1.04 -1.26 -5.15 113.70 114.44 2e7n s SER 6 Ca 0.04 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 2e7n s SER 6 Cb -0.01 -0.02 0.30 0.00 0.10 0.00 0.00 66.02 66.38 2e7n s SER 6 CO -0.03 -0.07 0.67 0.61 0.98 0.00 0.00 173.24 175.40 2e7n n GLY 7 N 2.14 -3.35 0.00 7.32 0.00 -1.26 -4.96 105.19 105.08 2e7n n GLY 7 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.06 0.41 3.56 -0.02 0.00 -1.26 -5.08 105.19 98.75 2e7n n GLY 8 Ca 0.11 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.41 -1.41 0.22 1.61 3.01 -1.26 -4.90 119.74 116.60 2e7n s LYS 9 Ca 0.00 -0.05 -0.28 0.00 -1.01 0.00 0.00 55.97 54.63 2e7n s LYS 9 Cb 0.00 -1.57 -0.16 0.00 -1.01 0.00 0.00 37.83 35.08 2e7n s LYS 9 CO 0.00 -3.84 0.56 -0.11 0.51 0.00 0.00 175.35 172.47 2e7n n LEU 10 N -4.85 -0.93 -4.71 3.17 7.94 -1.26 -4.81 117.00 111.55 2e7n n LEU 10 Ca 0.13 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.73 2e7n n LEU 10 Cb 0.59 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2e7n n LEU 10 CO 0.45 -2.85 0.92 -0.24 -1.11 0.00 0.00 177.39 174.56 2e7n n SER 11 N 1.91 2.77 -0.34 1.96 2.88 -1.26 -4.73 113.62 116.81 2e7n n SER 11 Ca 0.17 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.85 2e7n n SER 11 Cb 0.27 -1.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.26 2e7n n SER 11 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2e7n h GLU 12 N 2.36 -0.04 0.60 -1.46 4.81 -1.98 -0.55 114.58 118.32 2e7n h GLU 12 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2e7n h GLU 12 Cb 1.28 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2e7n h GLU 12 CO 0.61 -0.03 -0.40 0.45 -0.73 0.00 0.00 179.01 178.92 2e7n h HIS 13 N -0.04 -1.06 -0.98 0.92 3.86 -2.01 -2.98 115.15 112.87 2e7n h HIS 13 Ca 0.33 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.68 2e7n h HIS 13 Cb 0.59 0.38 -0.16 0.00 1.06 0.00 0.00 27.41 29.29 2e7n h HIS 13 CO -0.80 -0.59 -0.40 -0.07 0.86 0.00 0.00 177.93 176.92 2e7n h LEU 14 N -0.95 -1.48 -0.81 2.43 3.38 -1.50 0.21 115.31 116.60 2e7n h LEU 14 Ca -0.07 0.31 0.15 0.00 0.09 0.00 0.00 57.88 58.35 2e7n h LEU 14 Cb 0.78 0.76 -0.14 0.00 0.09 0.00 0.00 40.66 42.15 2e7n h LEU 14 CO 0.06 -0.29 -0.24 0.54 0.09 0.00 0.00 178.44 178.60 2e7n n ARG 15 N -5.46 -0.12 -0.06 1.13 1.74 -0.54 0.73 116.66 114.09 2e7n n ARG 15 Ca 0.09 1.25 -0.12 0.00 -0.77 0.00 0.00 57.85 58.30 2e7n n ARG 15 Cb 0.39 -1.86 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 2e7n n ARG 15 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2e7n h TYR 16 N 0.00 0.43 -0.97 -1.55 5.03 -0.67 -3.09 116.97 116.15 2e7n h TYR 16 Ca 0.35 -0.10 0.24 0.00 2.58 0.00 0.00 58.73 61.80 2e7n h TYR 16 Cb 0.55 -0.10 -0.13 0.00 1.55 0.00 0.00 36.73 38.60 2e7n h TYR 16 CO -0.65 0.67 0.53 0.00 -1.32 0.00 0.00 178.16 177.38 2e7n h ASP 18 N 0.50 0.33 -0.05 0.00 1.82 -0.94 0.17 116.42 118.24 2e7n h ASP 18 Ca 0.62 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 57.35 2e7n h ASP 18 Cb 1.20 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.27 2e7n h ASP 18 CO -0.50 -0.04 -0.03 0.77 -1.61 0.00 0.00 179.24 177.83 2e7n h SER 19 N 0.23 0.12 -1.65 2.28 4.64 -0.66 -3.00 113.55 115.51 2e7n h SER 19 Ca 0.69 -0.45 0.48 0.00 -0.47 0.00 0.00 61.79 62.04 2e7n h SER 19 Cb 2.03 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 64.02 2e7n h SER 19 CO -0.33 0.54 1.35 0.40 -0.87 0.00 0.00 176.83 177.92 2e7n h ILE 20 N -0.30 0.01 0.00 0.95 2.04 -0.68 0.51 117.51 120.04 2e7n h ILE 20 Ca 0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 2e7n h ILE 20 Cb 0.50 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2e7n h ILE 20 CO 0.01 0.00 -0.48 0.25 0.00 0.00 0.00 178.15 177.93 2e7n h LEU 21 N 0.00 0.00 -2.01 1.44 5.85 -1.50 -2.93 115.31 116.16 2e7n h LEU 21 Ca 0.79 -0.69 0.14 0.00 0.84 0.00 0.00 57.88 58.95 2e7n h LEU 21 Cb 3.48 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 44.49 2e7n h LEU 21 CO -0.01 1.12 0.43 0.08 -0.34 0.00 0.00 178.44 179.73 2e7n h ARG 22 N -1.00 0.00 0.04 1.25 -0.00 0.03 0.21 114.38 114.91 2e7n h ARG 22 Ca -0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.78 2e7n h ARG 22 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.97 2e7n h ARG 22 CO -0.08 0.00 -0.39 1.49 -0.00 0.00 0.00 179.97 180.99 2e7n h GLU 23 N 0.00 0.07 -0.17 0.08 4.57 -1.21 -3.33 114.58 114.59 2e7n h GLU 23 Ca 0.22 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2e7n h GLU 23 Cb 1.08 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2e7n h GLU 23 CO -0.00 1.06 0.12 0.52 -1.18 0.00 0.00 179.01 179.53 2e7n h MET 24 N -0.83 0.20 -1.57 1.92 2.86 -1.08 -2.06 114.93 114.37 2e7n h MET 24 Ca -0.09 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 2e7n h MET 24 Cb 1.21 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.74 2e7n h MET 24 CO 0.01 0.13 0.22 1.28 1.06 0.00 0.00 176.91 179.62 2e7n n LEU 25 N -4.51 5.55 -4.93 1.22 4.77 -0.04 -4.44 117.00 114.62 2e7n n LEU 25 Ca -0.00 -2.73 -0.28 0.00 -0.03 0.00 0.00 56.01 52.97 2e7n n LEU 25 Cb 0.10 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 2e7n n LEU 25 CO 0.35 1.03 -0.05 -0.55 -1.33 0.00 0.00 177.39 176.83 2e7n s SER 26 N 0.85 6.38 0.30 -1.43 0.15 -0.78 -4.94 113.70 114.22 2e7n s SER 26 Ca 0.17 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.18 2e7n s SER 26 Cb 0.13 -1.97 0.68 0.00 -1.71 0.00 0.00 66.02 63.14 2e7n s SER 26 CO 0.00 0.04 1.80 0.50 1.20 0.00 0.00 173.24 176.78 2e7n h LYS 27 N 2.36 0.82 0.54 5.44 1.63 -1.90 0.63 116.57 126.09 2e7n h LYS 27 Ca -0.47 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.25 2e7n h LYS 27 Cb 1.18 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2e7n h LYS 27 CO 0.70 0.54 -0.29 -0.22 -3.45 0.00 0.00 179.45 176.74 2e7n h LYS 28 N 0.85 -0.73 0.00 1.90 3.11 -1.94 -2.55 116.57 117.21 2e7n h LYS 28 Ca 0.55 0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 58.41 2e7n h LYS 28 Cb 0.76 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2e7n h LYS 28 CO -0.34 -0.49 -0.15 0.45 -2.81 0.00 0.00 179.45 176.10 2e7n h HIS 29 N -0.76 0.00 -1.06 1.91 3.86 -1.64 -3.08 115.15 114.37 2e7n h HIS 29 Ca -0.07 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.43 2e7n h HIS 29 Cb 0.60 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.96 2e7n h HIS 29 CO -0.06 0.15 0.66 0.00 0.86 0.00 0.00 177.93 179.54 2e7n h ALA 30 N 1.85 2.14 -0.45 2.45 0.00 0.68 1.16 119.26 127.09 2e7n h ALA 30 Ca -0.00 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2e7n h ALA 30 Cb 0.61 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2e7n h ALA 30 CO 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.65 2e7n h ALA 31 N 1.68 0.42 -0.14 0.00 0.00 -1.59 -1.40 119.26 118.22 2e7n h ALA 31 Ca 0.65 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.63 2e7n h ALA 31 Cb 1.58 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2e7n h ALA 31 CO -0.40 -0.39 -0.23 2.48 0.00 0.00 0.00 179.25 180.72 2e7n n TYR 32 N -5.21 0.45 -0.68 0.00 0.18 0.21 -4.50 117.16 107.61 2e7n n TYR 32 Ca 0.04 -1.40 0.00 0.00 1.88 0.00 0.00 57.90 58.42 2e7n n TYR 32 Cb 0.24 -0.32 0.00 0.00 -0.38 0.00 0.00 39.34 38.88 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 -1.12 0.95 0.05 -3.48 0.00 0.38 -4.19 120.51 113.10 2e7n n ALA 33 Ca 0.24 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2e7n n ALA 33 Cb 0.82 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.15 0.00 5.08 -1.45 -3.28 115.95 116.16 2e7n h TRP 34 Ca 0.00 -0.01 0.04 0.00 1.08 0.00 0.00 58.89 60.01 2e7n h TRP 34 Cb 0.50 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2e7n h TRP 34 CO 0.00 1.01 0.64 -1.35 -1.28 0.00 0.00 178.44 177.46 2e7n h PRO 35 N 0.00 0.00 -1.01 0.12 0.11 -1.86 0.44 132.00 129.81 2e7n h PRO 35 Ca -0.06 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.47 2e7n h PRO 35 Cb 1.82 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.52 2e7n h PRO 35 CO 0.12 0.00 -0.60 1.19 -0.21 0.00 0.00 178.00 178.50 2e7n n PHE 36 N -2.91 2.97 -0.09 0.65 3.01 -1.24 -4.71 117.46 115.14 2e7n n PHE 36 Ca 0.02 -2.52 -0.18 0.00 1.01 0.00 0.00 57.45 55.79 2e7n n PHE 36 Cb 0.71 -0.39 -0.06 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.66 0.00 -3.90 1.38 4.02 0.15 -1.74 117.16 116.41 2e7n n TYR 37 Ca 0.45 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 58.05 2e7n n TYR 37 Cb 0.84 -0.62 -0.04 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.40 3.45 0.65 -0.72 -2.85 -1.26 -4.22 119.74 112.39 2e7n s LYS 38 Ca -0.25 -0.48 -0.15 0.00 -1.00 0.00 0.00 55.97 54.08 2e7n s LYS 38 Cb 0.09 -2.99 -0.01 0.00 -2.06 0.00 0.00 37.83 32.86 2e7n s LYS 38 CO 0.33 0.55 1.11 -1.25 0.10 0.00 0.00 175.35 176.19 2e7n s PRO 39 N -2.88 2.86 -0.20 1.78 0.04 -1.26 -5.03 135.00 130.33 2e7n s PRO 39 Ca 0.35 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 2e7n s PRO 39 Cb -0.12 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2e7n s PRO 39 CO 0.28 -1.20 0.11 0.54 0.04 0.00 0.00 177.00 176.77 2e7n s VAL 40 N -2.28 5.22 -0.13 -0.36 0.11 -1.26 -5.09 120.40 116.62 2e7n s VAL 40 Ca 0.68 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2e7n s VAL 40 Cb -0.21 -3.37 -0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2e7n s VAL 40 CO 0.40 0.44 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.80 2e7n s ASP 41 N 0.38 3.39 -0.11 3.54 -1.08 -1.26 -5.02 116.67 116.52 2e7n s ASP 41 Ca 0.06 -0.51 -0.26 0.00 -0.52 0.00 0.00 52.55 51.32 2e7n s ASP 41 Cb -0.11 -1.49 -0.28 0.00 -1.46 0.00 0.00 42.92 39.57 2e7n s ASP 41 CO -0.01 0.12 0.81 0.00 0.52 0.00 0.00 175.17 176.62 2e7n h ALA 42 N 7.00 -0.03 -0.69 3.66 0.00 -1.95 -2.04 119.26 125.20 2e7n h ALA 42 Ca -0.27 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 53.99 2e7n h ALA 42 Cb 1.21 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2e7n h ALA 42 CO 0.53 0.14 0.14 0.93 0.00 0.00 0.00 179.25 180.99 2e7n h GLU 43 N -0.77 1.13 0.46 0.00 4.39 -1.95 -3.28 114.58 114.56 2e7n h GLU 43 Ca -0.05 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2e7n h GLU 43 Cb 1.24 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2e7n h GLU 43 CO 0.06 1.01 -0.22 0.00 -1.16 0.00 0.00 179.01 178.70 2e7n h ALA 44 N 1.08 -0.61 -2.15 3.43 0.00 -1.99 -3.46 119.26 115.55 2e7n h ALA 44 Ca 0.21 -0.14 -0.44 0.00 0.00 0.00 0.00 54.91 54.55 2e7n h ALA 44 Cb 0.41 0.24 0.17 0.00 0.00 0.00 0.00 17.79 18.61 2e7n h ALA 44 CO 0.01 -0.57 0.27 -0.51 0.00 0.00 0.00 179.25 178.45 2e7n s LEU 45 N -9.21 1.70 -0.69 0.00 1.43 -0.77 -4.95 118.68 106.20 2e7n s LEU 45 Ca -0.09 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2e7n s LEU 45 Cb 0.01 -2.60 0.29 0.00 0.03 0.00 0.00 46.19 43.92 2e7n s LEU 45 CO 0.28 -3.26 2.21 -0.62 0.23 0.00 0.00 176.35 175.18 2e7n n GLU 46 N -4.18 2.59 -2.21 1.70 4.71 -1.26 -4.76 120.64 117.24 2e7n n GLU 46 Ca 0.12 -3.07 -0.28 0.00 -0.01 0.00 0.00 57.16 53.92 2e7n n GLU 46 Cb 0.59 -2.20 0.03 0.00 -1.01 0.00 0.00 31.44 28.86 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2e7n s LEU 47 N -3.43 3.14 -0.74 -4.62 1.43 -1.26 -5.04 118.68 108.17 2e7n s LEU 47 Ca 0.55 0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2e7n s LEU 47 Cb 0.43 -3.74 0.19 0.00 0.03 0.00 0.00 46.19 43.09 2e7n s LEU 47 CO -0.27 -1.12 0.60 -2.28 0.23 0.00 0.00 176.35 173.51 2e7n s HIS 48 N -3.11 3.60 -1.59 0.29 5.65 -1.26 -4.71 115.29 114.16 2e7n s HIS 48 Ca 0.55 -2.69 -0.15 0.00 0.25 0.00 0.00 55.06 53.02 2e7n s HIS 48 Cb -0.11 -3.32 0.11 0.00 -1.18 0.00 0.00 32.58 28.08 2e7n s HIS 48 CO 0.48 -0.84 0.92 -0.25 -0.65 0.00 0.00 174.74 174.40 2e7n n ASP 49 N 3.23 -4.31 -0.27 9.88 8.00 -1.26 -4.80 116.55 127.03 2e7n n ASP 49 Ca 0.13 -0.85 0.09 0.00 0.71 0.00 0.00 54.79 54.86 2e7n n ASP 49 Cb 0.39 -3.53 0.18 0.00 -0.02 0.00 0.00 41.12 38.14 2e7n n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e7n n TYR 50 N -4.59 0.41 0.15 1.24 9.36 -1.26 0.36 117.16 122.83 2e7n n TYR 50 Ca 0.05 0.92 -0.16 0.00 3.32 0.00 0.00 57.90 62.03 2e7n n TYR 50 Cb 0.52 -1.03 -0.09 0.00 -0.63 0.00 0.00 39.34 38.11 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 0.00 -1.37 -0.72 2.98 3.86 -1.87 0.81 115.15 118.84 2e7n h HIS 51 Ca 0.43 0.03 0.27 0.00 -1.16 0.00 0.00 60.37 59.94 2e7n h HIS 51 Cb 0.82 0.58 -0.13 0.00 1.06 0.00 0.00 27.41 29.73 2e7n h HIS 51 CO -0.46 -0.58 0.26 -0.25 0.86 0.00 0.00 177.93 177.76 2e7n n ASP 52 N -5.50 0.14 -0.07 2.45 9.92 0.16 0.06 116.55 123.72 2e7n n ASP 52 Ca -0.09 1.20 -0.10 0.00 -0.53 0.00 0.00 54.79 55.27 2e7n n ASP 52 Cb 0.41 -0.53 -0.09 0.00 -0.64 0.00 0.00 41.12 40.27 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 1.11 -2.86 0.53 5.03 -1.26 -3.41 117.51 116.66 2e7n h ILE 53 Ca 0.55 -1.88 -0.74 0.00 -0.12 0.00 0.00 64.86 62.67 2e7n h ILE 53 Cb 1.37 2.15 -0.21 0.00 -3.03 0.00 0.00 36.82 37.10 2e7n h ILE 53 CO -0.59 0.38 0.72 -0.63 -0.68 0.00 0.00 178.15 177.35 2e7n s ILE 54 N -2.04 5.20 0.21 -0.67 -1.09 0.11 -4.90 121.20 118.01 2e7n s ILE 54 Ca -0.14 -2.31 -0.20 0.00 -2.23 0.00 0.00 60.65 55.77 2e7n s ILE 54 Cb -0.01 -4.71 0.17 0.00 -1.58 0.00 0.00 42.46 36.32 2e7n s ILE 54 CO 0.46 -1.37 1.57 0.11 -1.23 0.00 0.00 174.94 174.47 2e7n h LYS 55 N 7.87 -0.08 -3.34 2.79 1.79 -1.76 -3.33 116.57 120.51 2e7n h LYS 55 Ca 0.19 0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 58.09 2e7n h LYS 55 Cb 0.97 0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 31.24 2e7n h LYS 55 CO 1.04 -0.05 -0.76 -3.38 -1.08 0.00 0.00 179.45 175.21 2e7n s HIS 56 N -5.94 1.46 1.17 -1.35 -3.43 -1.26 -5.00 115.29 100.95 2e7n s HIS 56 Ca -0.14 -1.66 -0.18 0.00 -0.80 0.00 0.00 55.06 52.28 2e7n s HIS 56 Cb 0.18 -1.56 0.27 0.00 -1.43 0.00 0.00 32.58 30.04 2e7n s HIS 56 CO 0.70 -0.86 1.11 -1.25 -2.00 0.00 0.00 174.74 172.43 2e7n s PRO 57 N 1.56 -0.99 0.01 -0.38 0.04 -1.25 -4.98 135.00 129.01 2e7n s PRO 57 Ca 0.11 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 2e7n s PRO 57 Cb -0.18 -1.62 0.10 0.00 0.04 0.00 0.00 34.50 32.84 2e7n s PRO 57 CO -0.24 -3.57 0.95 1.41 0.04 0.00 0.00 177.00 175.59 2e7n s MET 58 N -5.33 0.82 0.18 4.56 1.75 -1.26 -4.98 119.30 115.04 2e7n s MET 58 Ca 0.70 -0.35 -0.23 0.00 -1.25 0.00 0.00 55.69 54.56 2e7n s MET 58 Cb -0.11 0.35 0.06 0.00 2.84 0.00 0.00 34.83 37.96 2e7n s MET 58 CO 0.56 -0.37 0.71 -0.51 -0.65 0.00 0.00 175.02 174.77 2e7n s ASP 59 N -2.56 -0.40 0.14 1.11 1.11 -1.26 -4.74 116.67 110.07 2e7n s ASP 59 Ca 0.07 -0.26 -0.21 0.00 0.18 0.00 0.00 52.55 52.33 2e7n s ASP 59 Cb -0.01 0.61 0.01 0.00 1.07 0.00 0.00 42.92 44.61 2e7n s ASP 59 CO -0.06 -1.06 1.66 -0.07 1.18 0.00 0.00 175.17 176.82 2e7n h LEU 60 N 2.00 -0.53 -0.84 1.23 3.38 -1.65 -2.26 115.31 116.64 2e7n h LEU 60 Ca -0.26 0.11 0.16 0.00 0.09 0.00 0.00 57.88 57.97 2e7n h LEU 60 Cb 1.27 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 42.14 2e7n h LEU 60 CO 0.31 -0.21 -0.24 -0.24 0.09 0.00 0.00 178.44 178.15 2e7n n SER 61 N -5.32 -0.37 0.46 -0.43 2.88 -1.26 -0.29 113.62 109.29 2e7n n SER 61 Ca -0.01 1.45 -0.18 0.00 -1.33 0.00 0.00 58.87 58.80 2e7n n SER 61 Cb 0.24 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2e7n n SER 61 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2e7n h THR 62 N 0.00 0.00 -0.74 2.46 2.02 -1.77 -1.97 112.91 112.90 2e7n h THR 62 Ca 0.37 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 67.69 2e7n h THR 62 Cb 0.58 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.85 2e7n h THR 62 CO -0.86 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 175.53 2e7n h VAL 63 N -1.19 0.30 -0.64 3.16 2.07 -0.73 0.19 116.25 119.41 2e7n h VAL 63 Ca -0.12 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2e7n h VAL 63 Cb 0.89 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2e7n h VAL 63 CO 0.20 0.01 0.32 0.50 0.02 0.00 0.00 177.57 178.62 2e7n h LYS 64 N 0.05 0.56 -0.03 1.57 3.64 -0.56 -0.50 116.57 121.30 2e7n h LYS 64 Ca 0.38 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.76 2e7n h LYS 64 Cb 0.64 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2e7n h LYS 64 CO -0.71 0.37 -0.16 0.00 -2.27 0.00 0.00 179.45 176.68 2e7n h ARG 65 N 0.58 -0.24 0.97 1.90 3.08 0.14 0.46 114.38 121.27 2e7n h ARG 65 Ca 0.30 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 2e7n h ARG 65 Cb 0.27 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2e7n h ARG 65 CO -0.23 -0.16 -0.48 0.87 -1.07 0.00 0.00 179.97 178.90 2e7n h LYS 66 N -0.25 -1.28 -0.96 0.04 1.57 -0.91 -2.79 116.57 111.99 2e7n h LYS 66 Ca 0.06 0.09 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 2e7n h LYS 66 Cb 0.33 0.29 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2e7n h LYS 66 CO -0.17 -0.85 0.61 1.98 -0.57 0.00 0.00 179.45 180.44 2e7n h MET 67 N -1.32 0.73 -0.38 3.15 4.05 -1.02 0.14 114.93 120.27 2e7n h MET 67 Ca -0.13 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.32 2e7n h MET 67 Cb 1.02 -0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 31.57 2e7n h MET 67 CO 0.20 0.48 -0.34 0.22 0.23 0.00 0.00 176.91 177.71 2e7n h ASP 68 N 0.75 -1.11 -0.66 1.39 3.58 0.19 0.31 116.42 120.87 2e7n h ASP 68 Ca 0.51 0.19 -0.30 0.00 0.42 0.00 0.00 57.03 57.85 2e7n h ASP 68 Cb 0.79 0.51 -0.18 0.00 1.72 0.00 0.00 39.33 42.17 2e7n h ASP 68 CO -0.27 -0.33 0.38 0.61 -2.88 0.00 0.00 179.24 176.75 2e7n n GLY 69 N -1.42 3.55 4.14 -0.78 0.00 -0.76 -4.89 105.19 105.04 2e7n n GLY 69 Ca 0.01 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.45 -2.83 0.06 1.61 3.00 0.10 -4.85 116.66 113.30 2e7n n ARG 70 Ca 0.38 0.34 -0.14 0.00 -0.01 0.00 0.00 57.85 58.43 2e7n n ARG 70 Cb 1.27 -4.65 -0.04 0.00 0.00 0.00 0.00 32.46 29.03 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 -1.65 0.45 -6.62 5.56 5.08 -0.98 -3.45 114.58 112.97 2e7n h GLU 71 Ca -0.62 -0.46 -0.56 0.00 -1.00 0.00 0.00 59.36 56.72 2e7n h GLU 71 Cb 1.38 0.13 0.07 0.00 0.50 0.00 0.00 28.75 30.83 2e7n h GLU 71 CO 0.71 1.12 0.83 0.66 -1.00 0.00 0.00 179.01 181.33 2e7n n TYR 72 N -3.77 2.50 -0.04 4.33 4.01 -1.26 -4.92 117.16 118.01 2e7n n TYR 72 Ca -0.07 0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 2e7n n TYR 72 Cb 0.82 -2.57 -0.08 0.00 -0.31 0.00 0.00 39.34 37.20 2e7n n TYR 72 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2e7n h PRO 73 N 5.59 0.22 -3.81 -0.72 0.13 -1.94 -3.47 132.00 128.00 2e7n h PRO 73 Ca -0.45 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2e7n h PRO 73 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2e7n h PRO 73 CO 0.86 0.65 -0.19 -0.51 -0.23 0.00 0.00 178.00 178.58 2e7n s ASP 74 N -5.96 -0.01 0.24 1.44 1.11 -1.26 -4.51 116.67 107.71 2e7n s ASP 74 Ca -0.15 -1.03 -0.09 0.00 0.18 0.00 0.00 52.55 51.46 2e7n s ASP 74 Cb 0.04 0.56 0.37 0.00 1.07 0.00 0.00 42.92 44.96 2e7n s ASP 74 CO 0.72 -1.11 1.62 0.00 1.18 0.00 0.00 175.17 177.59 2e7n h ALA 75 N 2.30 0.64 -0.76 5.23 0.00 -1.92 0.18 119.26 124.93 2e7n h ALA 75 Ca -0.28 0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2e7n h ALA 75 Cb 1.25 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 2e7n h ALA 75 CO 0.38 -0.42 0.30 1.96 0.00 0.00 0.00 179.25 181.46 2e7n h GLN 76 N 0.05 0.42 -0.67 0.00 7.50 -1.99 -0.70 115.11 119.71 2e7n h GLN 76 Ca 0.38 -0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.55 2e7n h GLN 76 Cb 0.64 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 28.03 2e7n h GLN 76 CO -0.70 0.28 0.40 0.78 -1.50 0.00 0.00 178.83 178.09 2e7n h GLY 77 N 0.43 0.98 0.85 3.46 0.00 -1.05 0.11 103.07 107.85 2e7n h GLY 77 Ca 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2e7n h GLY 77 CO -0.42 0.23 -0.25 -2.75 0.00 0.00 0.00 176.54 173.35 2e7n h PHE 78 N 0.77 -0.65 -0.45 5.60 3.57 -0.86 -3.16 116.94 121.77 2e7n h PHE 78 Ca 0.28 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.83 2e7n h PHE 78 Cb 0.09 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 2e7n h PHE 78 CO -0.06 -0.35 0.16 0.00 -2.23 0.00 0.00 178.31 175.83 2e7n h ALA 79 N -0.47 0.53 -0.93 2.41 0.00 -1.18 -2.65 119.26 116.97 2e7n h ALA 79 Ca -0.07 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2e7n h ALA 79 Cb 0.60 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 2e7n h ALA 79 CO 0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 179.25 178.79 2e7n n ALA 80 N -2.39 -0.08 0.19 0.00 0.00 0.35 -0.30 120.51 118.28 2e7n n ALA 80 Ca 0.04 0.94 -0.15 0.00 0.00 0.00 0.00 53.44 54.27 2e7n n ALA 80 Cb 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.45 -0.47 0.00 5.19 -1.47 -1.72 116.42 117.50 2e7n h ASP 81 Ca 0.34 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.86 2e7n h ASP 81 Cb 0.57 0.13 -0.10 0.00 0.18 0.00 0.00 39.33 40.11 2e7n h ASP 81 CO -0.93 -0.29 -0.31 0.58 -3.12 0.00 0.00 179.24 175.17 2e7n h VAL 82 N -0.46 0.23 -0.22 -1.35 2.07 -0.53 0.45 116.25 116.44 2e7n h VAL 82 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2e7n h VAL 82 Cb 0.38 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2e7n h VAL 82 CO 0.04 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 177.61 2e7n h ARG 83 N -0.20 0.00 -0.69 1.57 3.08 -0.83 -1.19 114.38 116.12 2e7n h ARG 83 Ca 0.20 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.36 2e7n h ARG 83 Cb 0.53 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2e7n h ARG 83 CO -0.59 0.00 0.46 1.25 -1.07 0.00 0.00 179.97 180.02 2e7n h LEU 84 N 0.00 0.46 -0.17 3.04 5.85 -0.29 0.47 115.31 124.67 2e7n h LEU 84 Ca 0.11 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2e7n h LEU 84 Cb 0.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2e7n h LEU 84 CO -0.22 0.27 0.04 -0.03 -0.34 0.00 0.00 178.44 178.15 2e7n h MET 85 N 0.50 0.27 0.61 1.25 4.05 0.25 -2.92 114.93 118.94 2e7n h MET 85 Ca 0.32 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 2e7n h MET 85 Cb 0.58 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2e7n h MET 85 CO -0.10 0.42 -0.29 0.74 0.23 0.00 0.00 176.91 177.90 2e7n h PHE 86 N 0.08 -0.76 -0.83 1.39 0.04 -0.72 -3.18 116.94 112.96 2e7n h PHE 86 Ca 0.05 -0.02 0.31 0.00 2.80 0.00 0.00 57.97 61.12 2e7n h PHE 86 Cb 0.27 0.25 -0.15 0.00 2.20 0.00 0.00 35.95 38.52 2e7n h PHE 86 CO 0.01 -0.47 0.32 0.45 -0.60 0.00 0.00 178.31 178.02 2e7n n SER 87 N -5.32 0.17 -0.17 2.17 2.88 0.07 0.21 113.62 113.63 2e7n n SER 87 Ca -0.10 1.39 -0.07 0.00 -1.33 0.00 0.00 58.87 58.76 2e7n n SER 87 Cb 0.32 -0.63 0.02 0.00 -0.75 0.00 0.00 64.21 63.18 2e7n n SER 87 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2e7n h ASN 88 N 0.00 0.59 -0.41 -3.46 2.35 -1.49 -2.50 115.58 110.65 2e7n h ASN 88 Ca 0.65 -0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.46 2e7n h ASN 88 Cb 1.62 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 39.75 2e7n h ASN 88 CO -0.69 0.44 -0.26 0.00 -1.65 0.00 0.00 177.43 175.27 2e7n n TYR 90 N -5.41 0.16 -0.05 0.00 4.01 -1.10 -2.95 117.16 111.84 2e7n n TYR 90 Ca 0.02 -0.06 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 2e7n n TYR 90 Cb 0.32 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 2e7n n TYR 90 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2e7n n LYS 91 N -0.07 0.20 -0.03 -0.72 0.00 0.19 -4.88 118.16 112.85 2e7n n LYS 91 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 58.31 58.40 2e7n n LYS 91 Cb 0.24 -0.95 -0.00 0.00 0.00 0.00 0.00 35.03 34.31 2e7n n LYS 91 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2e7n h TYR 92 N -0.21 0.00 -4.00 5.64 3.20 -0.85 -3.47 116.97 117.28 2e7n h TYR 92 Ca -0.22 0.00 -0.49 0.00 3.14 0.00 0.00 58.73 61.16 2e7n h TYR 92 Cb 1.24 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.55 2e7n h TYR 92 CO -0.02 0.00 0.44 0.54 -1.64 0.00 0.00 178.16 177.49 2e7n s ASN 93 N -4.29 6.38 1.00 -2.11 2.20 -1.15 -5.03 114.94 111.93 2e7n s ASN 93 Ca -0.02 2.15 -0.12 0.00 -0.94 0.00 0.00 52.86 53.93 2e7n s ASN 93 Cb 0.00 -2.59 0.19 0.00 -2.00 0.00 0.00 41.25 36.85 2e7n s ASN 93 CO 0.03 -0.76 1.09 -2.16 -2.94 0.00 0.00 177.10 172.36 2e7n s PRO 94 N -2.72 0.42 0.00 3.55 0.04 -1.26 -4.61 135.00 130.42 2e7n s PRO 94 Ca 0.62 0.52 0.14 0.00 0.04 0.00 0.00 61.00 62.33 2e7n s PRO 94 Cb -0.24 -1.74 0.86 0.00 0.04 0.00 0.00 34.50 33.42 2e7n s PRO 94 CO 0.30 -2.74 1.28 -0.35 0.04 0.00 0.00 177.00 175.53 2e7n n PRO 95 N -4.18 0.48 -0.09 0.56 -0.04 -1.26 -2.71 135.00 127.76 2e7n n PRO 95 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 2e7n n PRO 95 Cb 0.57 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.96 2.01 -4.45 3.54 9.92 -1.26 -4.94 116.55 120.41 2e7n n ASP 96 Ca 0.11 0.06 -0.63 0.00 -0.53 0.00 0.00 54.79 53.79 2e7n n ASP 96 Cb 0.05 -0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 39.80 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2e7n n HIS 97 N -3.52 1.53 -0.24 1.24 -0.00 -1.10 -4.78 115.22 108.34 2e7n n HIS 97 Ca -0.42 1.00 0.05 0.00 0.46 0.00 0.00 57.72 58.81 2e7n n HIS 97 Cb 0.97 -2.17 0.17 0.00 -0.12 0.00 0.00 29.99 28.84 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 5.98 0.21 -1.38 1.57 4.11 -1.92 0.14 114.58 123.29 2e7n h GLU 98 Ca -0.33 -0.01 0.44 0.00 0.07 0.00 0.00 59.36 59.53 2e7n h GLU 98 Cb 1.34 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 2e7n h GLU 98 CO 0.98 0.14 0.90 -0.24 0.07 0.00 0.00 179.01 180.86 2e7n h VAL 99 N 0.21 0.12 -0.55 -1.06 3.04 -1.97 0.67 116.25 116.71 2e7n h VAL 99 Ca 0.41 -0.03 0.05 0.00 -1.01 0.00 0.00 66.70 66.12 2e7n h VAL 99 Cb 0.70 0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 29.97 2e7n h VAL 99 CO -0.54 0.01 0.27 0.58 -1.01 0.00 0.00 177.57 176.88 2e7n h VAL 100 N 0.07 0.94 -0.12 1.51 2.07 -1.05 -0.16 116.25 119.52 2e7n h VAL 100 Ca 0.82 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 68.12 2e7n h VAL 100 Cb 2.68 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 2e7n h VAL 100 CO -0.37 0.10 -0.13 0.00 0.02 0.00 0.00 177.57 177.19 2e7n h ALA 101 N 1.30 1.57 -0.12 1.67 0.00 0.23 -2.58 119.26 121.32 2e7n h ALA 101 Ca 0.25 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2e7n h ALA 101 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2e7n h ALA 101 CO -0.18 0.31 -0.76 0.52 0.00 0.00 0.00 179.25 179.15 2e7n h MET 102 N 0.18 0.63 -0.43 0.00 2.86 -1.04 -3.25 114.93 113.88 2e7n h MET 102 Ca 0.04 -0.51 0.05 0.00 -2.06 0.00 0.00 59.70 57.21 2e7n h MET 102 Cb 0.34 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 2e7n h MET 102 CO 0.02 1.13 0.17 0.00 1.06 0.00 0.00 176.91 179.29 2e7n h ALA 103 N 0.72 0.52 0.21 6.32 0.00 -0.67 -2.90 119.26 123.46 2e7n h ALA 103 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2e7n h ALA 103 Cb 1.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2e7n h ALA 103 CO 0.15 -0.21 -0.44 0.00 0.00 0.00 0.00 179.25 178.75 2e7n h ARG 104 N 0.35 -0.70 -0.75 0.00 3.08 -1.56 -1.18 114.38 113.61 2e7n h ARG 104 Ca 0.20 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.42 2e7n h ARG 104 Cb 0.17 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.25 2e7n h ARG 104 CO -0.19 -0.47 -0.27 1.63 -1.07 0.00 0.00 179.97 179.60 2e7n n LYS 105 N -5.48 -0.15 -0.10 0.04 5.02 -1.10 0.22 118.16 116.60 2e7n n LYS 105 Ca -0.08 1.16 -0.07 0.00 -2.02 0.00 0.00 58.31 57.30 2e7n n LYS 105 Cb 0.40 -1.73 0.10 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.80 -0.37 -0.35 5.85 -1.43 -3.06 115.31 116.74 2e7n h LEU 106 Ca 0.28 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2e7n h LEU 106 Cb 0.47 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2e7n h LEU 106 CO -0.75 0.96 0.24 -0.61 -0.34 0.00 0.00 178.44 177.94 2e7n h GLN 107 N 0.71 0.48 0.08 1.25 4.15 0.38 -0.99 115.11 121.17 2e7n h GLN 107 Ca 0.11 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.51 2e7n h GLN 107 Cb 0.66 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 2e7n h GLN 107 CO 0.05 0.32 -0.49 0.22 -1.93 0.00 0.00 178.83 177.00 2e7n h ASP 108 N 0.50 -1.49 -0.95 -0.69 3.58 -0.46 0.26 116.42 117.17 2e7n h ASP 108 Ca 0.14 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.82 2e7n h ASP 108 Cb -0.05 0.55 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 2e7n h ASP 108 CO -0.03 -0.50 0.60 1.62 -2.88 0.00 0.00 179.24 178.04 2e7n h VAL 109 N -0.67 1.03 -0.82 2.25 3.04 -1.52 -1.64 116.25 117.92 2e7n h VAL 109 Ca -0.00 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2e7n h VAL 109 Cb 0.69 -0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 29.81 2e7n h VAL 109 CO -0.28 0.19 0.50 0.15 -1.01 0.00 0.00 177.57 177.12 2e7n h PHE 110 N 1.06 1.07 0.80 3.17 3.57 -0.36 -0.51 116.94 125.74 2e7n h PHE 110 Ca 0.43 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.89 2e7n h PHE 110 Cb 0.24 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.63 2e7n h PHE 110 CO -0.02 0.71 -0.38 0.93 -2.23 0.00 0.00 178.31 177.32 2e7n h GLU 111 N 1.12 -1.04 -0.80 1.11 5.08 0.43 -2.42 114.58 118.06 2e7n h GLU 111 Ca 0.29 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 2e7n h GLU 111 Cb -0.06 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2e7n h GLU 111 CO -0.06 -0.69 0.46 0.00 -1.00 0.00 0.00 179.01 177.73 2e7n h MET 112 N -1.10 0.78 -0.21 2.33 -0.00 -1.35 -2.42 114.93 112.96 2e7n h MET 112 Ca -0.11 -0.05 0.06 0.00 -0.00 0.00 0.00 59.70 59.60 2e7n h MET 112 Cb 0.83 -0.18 -0.07 0.00 -0.00 0.00 0.00 31.60 32.18 2e7n h MET 112 CO 0.18 0.51 -0.29 0.00 -0.00 0.00 0.00 176.91 177.31 2e7n h ARG 113 N 0.80 -0.31 -0.79 -0.10 2.47 -0.94 -0.10 114.38 115.42 2e7n h ARG 113 Ca 0.38 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.21 2e7n h ARG 113 Cb 0.30 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.64 2e7n h ARG 113 CO -0.23 -0.21 0.51 0.35 0.56 0.00 0.00 179.97 180.96 2e7n h PHE 114 N -0.32 0.79 0.02 3.04 3.57 -0.97 -2.25 116.94 120.81 2e7n h PHE 114 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2e7n h PHE 114 Cb 0.51 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2e7n h PHE 114 CO -0.42 0.38 -0.01 0.00 -2.23 0.00 0.00 178.31 176.04 2e7n h ALA 115 N 1.60 -0.02 -0.97 2.41 0.00 -0.69 -2.86 119.26 118.73 2e7n h ALA 115 Ca 0.36 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.41 2e7n h ALA 115 Cb 0.40 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 2e7n h ALA 115 CO -0.13 -0.43 0.53 0.87 0.00 0.00 0.00 179.25 180.09 2e7n h LYS 116 N -0.18 0.54 0.00 0.00 6.56 -0.55 -3.52 116.57 119.43 2e7n h LYS 116 Ca -0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2e7n h LYS 116 Cb 0.17 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2e7n h LYS 116 CO 0.00 0.36 0.00 -0.12 -2.06 0.00 0.00 179.45 177.63