#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 6.98 -0.76 1.61 1.04 -1.26 -5.03 113.70 116.28 2e7n s SER 2 Ca 0.00 1.24 -0.17 0.00 0.48 0.00 0.00 55.95 57.50 2e7n s SER 2 Cb 0.00 -2.35 0.16 0.00 0.10 0.00 0.00 66.02 63.93 2e7n s SER 2 CO 0.00 0.15 0.81 -0.55 0.98 0.00 0.00 173.24 174.62 2e7n s SER 3 N -1.48 6.51 -0.19 7.02 0.15 -1.26 -5.03 113.70 119.42 2e7n s SER 3 Ca 0.36 -2.10 -0.08 0.00 0.70 0.00 0.00 55.95 54.83 2e7n s SER 3 Cb -0.17 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2e7n s SER 3 CO 0.20 -0.87 0.08 -0.83 1.20 0.00 0.00 173.24 173.02 2e7n s GLY 4 N 3.06 1.95 0.12 9.45 0.00 -1.26 -4.99 107.32 115.65 2e7n s GLY 4 Ca 0.18 -0.73 0.10 0.00 0.00 0.00 0.00 44.72 44.27 2e7n s GLY 4 CO -0.04 0.08 -0.24 -0.45 0.00 0.00 0.00 173.10 172.45 2e7n s SER 5 N 0.35 2.99 0.24 1.64 0.15 -1.26 -5.10 113.70 112.70 2e7n s SER 5 Ca 0.05 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.65 2e7n s SER 5 Cb -0.12 -0.19 -0.12 0.00 -1.71 0.00 0.00 66.02 63.89 2e7n s SER 5 CO -0.01 0.12 1.66 -0.94 1.20 0.00 0.00 173.24 175.27 2e7n s SER 6 N -2.06 6.39 0.00 5.45 1.04 -1.26 -4.65 113.70 118.61 2e7n s SER 6 Ca 0.11 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.43 2e7n s SER 6 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2e7n s SER 6 CO 0.06 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2e7n n GLY 7 N 3.21 3.27 0.00 7.32 0.00 -1.26 -4.93 105.19 112.80 2e7n n GLY 7 Ca 0.13 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 5.00 -0.89 3.59 -0.02 0.00 -1.25 -5.03 105.19 106.59 2e7n n GLY 8 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 2.13 0.67 1.61 -0.14 -1.26 -4.78 119.74 117.96 2e7n s LYS 9 Ca 0.00 -1.39 -0.17 0.00 -1.36 0.00 0.00 55.97 53.05 2e7n s LYS 9 Cb 0.00 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 34.02 2e7n s LYS 9 CO 0.00 0.39 1.12 1.28 -0.76 0.00 0.00 175.35 177.39 2e7n n LEU 10 N -0.44 4.73 -4.66 3.17 4.77 -1.26 -4.95 117.00 118.37 2e7n n LEU 10 Ca -0.08 0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 56.35 2e7n n LEU 10 Cb 0.57 -1.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.10 2e7n n LEU 10 CO 0.38 -1.53 -0.35 -0.55 -1.33 0.00 0.00 177.39 174.01 2e7n s SER 11 N -1.47 4.93 0.12 -1.43 0.15 -1.26 -4.96 113.70 109.77 2e7n s SER 11 Ca 0.78 -0.12 -0.22 0.00 0.70 0.00 0.00 55.95 57.09 2e7n s SER 11 Cb -0.37 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 62.69 2e7n s SER 11 CO 0.45 0.24 1.16 1.21 1.20 0.00 0.00 173.24 177.50 2e7n n GLU 12 N 1.13 -0.32 0.29 5.44 2.13 -1.26 -0.47 120.64 127.57 2e7n n GLU 12 Ca -0.13 1.14 -0.16 0.00 0.66 0.00 0.00 57.16 58.67 2e7n n GLU 12 Cb 0.52 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.48 2e7n n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2e7n h HIS 13 N 0.00 -0.67 -0.89 4.31 3.86 -2.00 -3.11 115.15 116.65 2e7n h HIS 13 Ca 0.12 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.49 2e7n h HIS 13 Cb 0.30 0.22 -0.17 0.00 1.06 0.00 0.00 27.41 28.82 2e7n h HIS 13 CO -0.79 -0.35 -0.21 1.28 0.86 0.00 0.00 177.93 178.72 2e7n n LEU 14 N -5.34 -0.31 -0.34 2.43 4.77 -0.14 -0.57 117.00 117.51 2e7n n LEU 14 Ca -0.12 1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 57.32 2e7n n LEU 14 Cb 0.32 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2e7n n LEU 14 CO 0.34 -1.48 0.39 0.54 -1.33 0.00 0.00 177.39 175.85 2e7n n ARG 15 N -5.45 -0.35 -0.09 3.23 1.74 0.38 0.09 116.66 116.21 2e7n n ARG 15 Ca 0.15 1.22 -0.10 0.00 -0.77 0.00 0.00 57.85 58.35 2e7n n ARG 15 Cb 0.47 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.46 -1.01 -1.55 5.03 -0.97 -2.80 116.97 116.13 2e7n h TYR 16 Ca 0.14 -0.05 0.23 0.00 2.58 0.00 0.00 58.73 61.63 2e7n h TYR 16 Cb 0.34 -0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.37 2e7n h TYR 16 CO -0.83 0.49 0.62 0.00 -1.32 0.00 0.00 178.16 177.12 2e7n h ASP 18 N 0.60 0.54 -0.35 0.00 3.58 -0.20 0.17 116.42 120.76 2e7n h ASP 18 Ca 0.61 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 58.19 2e7n h ASP 18 Cb 1.17 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2e7n h ASP 18 CO -0.40 -0.02 0.10 0.77 -2.88 0.00 0.00 179.24 176.81 2e7n h SER 19 N 0.44 0.51 -1.33 2.28 4.64 -0.97 -2.72 113.55 116.41 2e7n h SER 19 Ca 0.67 -0.22 0.44 0.00 -0.47 0.00 0.00 61.79 62.21 2e7n h SER 19 Cb 1.38 -0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 63.20 2e7n h SER 19 CO -0.54 0.60 0.86 0.40 -0.87 0.00 0.00 176.83 177.27 2e7n h ILE 20 N 0.40 0.11 0.06 0.95 2.04 -0.67 0.39 117.51 120.79 2e7n h ILE 20 Ca 0.11 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 2e7n h ILE 20 Cb 0.28 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2e7n h ILE 20 CO -0.00 0.01 -0.51 0.25 0.00 0.00 0.00 178.15 177.90 2e7n h LEU 21 N 0.08 0.19 -2.41 1.44 5.85 -1.46 -3.02 115.31 115.97 2e7n h LEU 21 Ca 0.83 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2e7n h LEU 21 Cb 2.61 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 43.58 2e7n h LEU 21 CO -0.43 1.23 0.11 0.08 -0.34 0.00 0.00 178.44 179.10 2e7n h ARG 22 N -0.73 0.00 0.03 1.25 -0.00 -0.19 -1.93 114.38 112.81 2e7n h ARG 22 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.84 2e7n h ARG 22 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.28 2e7n h ARG 22 CO 0.03 0.00 -0.16 1.49 -0.00 0.00 0.00 179.97 181.34 2e7n h GLU 23 N 0.00 0.06 -0.30 0.08 4.81 -0.50 -3.31 114.58 115.41 2e7n h GLU 23 Ca 0.04 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2e7n h GLU 23 Cb 0.26 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2e7n h GLU 23 CO -0.00 1.04 0.21 0.52 -0.73 0.00 0.00 179.01 180.06 2e7n h MET 24 N -0.88 0.10 -1.62 1.92 2.86 -1.26 -1.70 114.93 114.35 2e7n h MET 24 Ca -0.03 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.41 2e7n h MET 24 Cb 1.12 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 2e7n h MET 24 CO 0.03 0.06 0.25 1.28 1.06 0.00 0.00 176.91 179.60 2e7n n LEU 25 N -4.47 5.81 -4.89 1.22 4.77 -0.78 -4.53 117.00 114.13 2e7n n LEU 25 Ca 0.04 -2.86 -0.27 0.00 -0.03 0.00 0.00 56.01 52.88 2e7n n LEU 25 Cb 0.31 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 2e7n n LEU 25 CO 0.35 1.09 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.80 2e7n s SER 26 N 0.80 6.08 0.22 -1.43 0.15 -0.64 -4.99 113.70 113.89 2e7n s SER 26 Ca 0.19 0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 2e7n s SER 26 Cb 0.15 -1.77 0.22 0.00 -1.71 0.00 0.00 66.02 62.91 2e7n s SER 26 CO 0.00 0.09 1.86 0.11 1.20 0.00 0.00 173.24 176.50 2e7n h LYS 27 N 2.49 0.92 0.29 5.44 1.79 -1.90 0.26 116.57 125.86 2e7n h LYS 27 Ca -0.47 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2e7n h LYS 27 Cb 1.19 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 2e7n h LYS 27 CO 0.69 0.61 -0.46 -0.22 -1.08 0.00 0.00 179.45 178.98 2e7n h LYS 28 N 0.94 -0.79 -0.06 3.15 3.64 -1.95 -2.16 116.57 119.35 2e7n h LYS 28 Ca 0.31 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2e7n h LYS 28 Cb 0.02 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2e7n h LYS 28 CO -0.11 -0.52 -0.29 0.45 -2.27 0.00 0.00 179.45 176.71 2e7n h HIS 29 N -0.82 0.12 -0.71 1.91 3.86 -1.82 -3.15 115.15 114.54 2e7n h HIS 29 Ca -0.02 -0.02 0.23 0.00 -1.16 0.00 0.00 60.37 59.40 2e7n h HIS 29 Cb 0.77 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.08 2e7n h HIS 29 CO -0.32 0.39 0.13 0.00 0.86 0.00 0.00 177.93 178.99 2e7n n ALA 30 N -2.48 0.48 -0.30 2.45 0.00 0.90 0.10 120.51 121.66 2e7n n ALA 30 Ca -0.02 0.75 0.03 0.00 0.00 0.00 0.00 53.44 54.20 2e7n n ALA 30 Cb 0.36 -0.61 0.10 0.00 0.00 0.00 0.00 19.45 19.30 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 1.42 0.52 -0.19 0.00 0.00 -1.62 0.84 119.26 120.23 2e7n h ALA 31 Ca 0.49 0.32 -0.09 0.00 0.00 0.00 0.00 54.91 55.63 2e7n h ALA 31 Cb 1.12 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2e7n h ALA 31 CO -0.63 -0.42 -0.21 2.48 0.00 0.00 0.00 179.25 180.47 2e7n n TYR 32 N -5.54 0.60 -0.69 0.00 0.18 0.28 -4.48 117.16 107.51 2e7n n TYR 32 Ca 0.12 -1.44 0.00 0.00 1.88 0.00 0.00 57.90 58.46 2e7n n TYR 32 Cb 0.42 -0.36 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 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 -1.10 0.93 0.06 -3.48 0.00 0.28 -4.40 120.51 112.79 2e7n n ALA 33 Ca 0.26 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2e7n n ALA 33 Cb 0.87 0.00 -0.12 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 0.00 0.00 0.00 5.08 -1.15 -3.22 115.95 116.66 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 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2e7n h TRP 34 CO 0.00 0.98 0.58 -1.35 -1.28 0.00 0.00 178.44 177.37 2e7n h PRO 35 N 0.00 0.00 0.00 0.12 0.11 -1.86 0.34 132.00 130.71 2e7n h PRO 35 Ca -0.03 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.82 2e7n h PRO 35 Cb 1.77 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.83 2e7n h PRO 35 CO 0.12 0.00 -2.00 1.19 -0.21 0.00 0.00 178.00 177.11 2e7n n PHE 36 N -2.62 0.00 -0.27 0.65 3.01 -1.23 -4.55 117.46 112.44 2e7n n PHE 36 Ca -0.01 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.62 2e7n n PHE 36 Cb 0.61 -0.72 0.33 0.00 -0.01 0.00 0.00 39.48 39.68 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 -2.55 0.67 -4.64 1.38 4.02 0.12 -4.15 117.16 112.01 2e7n n TYR 37 Ca -0.24 0.96 -0.33 0.00 -0.01 0.00 0.00 57.90 58.29 2e7n n TYR 37 Cb 0.97 -1.20 -0.12 0.00 -0.02 0.00 0.00 39.34 38.97 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 -5.55 2.56 0.96 -0.72 1.02 -1.23 -4.75 119.74 112.02 2e7n s LYS 38 Ca -0.09 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 2e7n s LYS 38 Cb 0.25 -2.47 0.16 0.00 -0.52 0.00 0.00 37.83 35.25 2e7n s LYS 38 CO 0.63 0.62 1.09 -1.25 -0.92 0.00 0.00 175.35 175.52 2e7n s PRO 39 N -1.06 0.77 -1.13 -1.68 0.04 -1.26 -4.96 135.00 125.72 2e7n s PRO 39 Ca 0.14 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.70 2e7n s PRO 39 Cb -0.11 -1.77 0.20 0.00 0.04 0.00 0.00 34.50 32.87 2e7n s PRO 39 CO 0.04 -2.53 1.27 0.08 0.04 0.00 0.00 177.00 175.90 2e7n s VAL 40 N -2.95 5.33 -1.02 -0.36 1.01 -1.26 -4.96 120.40 116.19 2e7n s VAL 40 Ca 0.64 -2.76 -0.25 0.00 0.00 0.00 0.00 61.98 59.61 2e7n s VAL 40 Cb -0.18 -4.78 -0.14 0.00 0.00 0.00 0.00 36.38 31.28 2e7n s VAL 40 CO 0.57 -1.45 2.09 -0.62 0.00 0.00 0.00 175.10 175.70 2e7n s ASP 41 N 2.42 4.27 0.31 3.32 -1.08 -1.26 -4.76 116.67 119.90 2e7n s ASP 41 Ca 0.37 -0.90 0.08 0.00 -0.52 0.00 0.00 52.55 51.57 2e7n s ASP 41 Cb -0.06 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 39.69 2e7n s ASP 41 CO -0.04 -3.76 1.68 0.00 0.52 0.00 0.00 175.17 173.58 2e7n h ALA 42 N 11.25 1.63 0.45 3.66 0.00 -1.93 -0.31 119.26 134.01 2e7n h ALA 42 Ca 0.08 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2e7n h ALA 42 Cb 0.98 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2e7n h ALA 42 CO 1.11 -0.42 -0.37 0.93 0.00 0.00 0.00 179.25 180.49 2e7n h GLU 43 N 0.37 -0.79 0.48 0.00 4.39 -1.89 -3.15 114.58 113.98 2e7n h GLU 43 Ca 0.63 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.37 2e7n h GLU 43 Cb 1.29 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 2e7n h GLU 43 CO -0.57 -0.53 -0.37 0.00 -1.16 0.00 0.00 179.01 176.38 2e7n h ALA 44 N -0.44 -0.86 -2.05 3.43 0.00 -1.57 -3.44 119.26 114.33 2e7n h ALA 44 Ca -0.04 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.30 2e7n h ALA 44 Cb 0.71 0.49 0.20 0.00 0.00 0.00 0.00 17.79 19.19 2e7n h ALA 44 CO -0.02 -1.01 0.07 -0.51 0.00 0.00 0.00 179.25 177.78 2e7n s LEU 45 N -10.14 0.38 -1.03 0.00 1.02 -0.27 -4.96 118.68 103.68 2e7n s LEU 45 Ca -0.17 0.80 -0.04 0.00 0.02 0.00 0.00 54.13 54.73 2e7n s LEU 45 Cb 0.05 -2.51 0.29 0.00 0.02 0.00 0.00 46.19 44.04 2e7n s LEU 45 CO 0.62 -4.32 1.29 -1.84 0.02 0.00 0.00 176.35 172.13 2e7n n GLU 46 N -4.92 3.98 -3.94 1.70 0.28 -1.26 -4.85 120.64 111.63 2e7n n GLU 46 Ca 0.11 -4.54 -0.31 0.00 -0.16 0.00 0.00 57.16 52.26 2e7n n GLU 46 Cb 0.59 -2.49 -0.15 0.00 1.43 0.00 0.00 31.44 30.82 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2e7n s LEU 47 N -2.36 3.15 -0.04 -1.84 1.43 -1.26 -5.01 118.68 112.75 2e7n s LEU 47 Ca 0.32 -1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 2e7n s LEU 47 Cb 0.02 -1.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 2e7n s LEU 47 CO 0.04 -0.30 0.61 0.45 0.23 0.00 0.00 176.35 177.39 2e7n h HIS 48 N 7.87 -0.49 -3.39 0.29 3.86 -1.92 -3.39 115.15 117.97 2e7n h HIS 48 Ca -0.14 -0.01 -0.72 0.00 -1.16 0.00 0.00 60.37 58.34 2e7n h HIS 48 Cb 1.05 0.16 -0.34 0.00 1.06 0.00 0.00 27.41 29.34 2e7n h HIS 48 CO 0.48 -0.31 -0.02 0.16 0.86 0.00 0.00 177.93 179.11 2e7n s ASP 49 N -4.91 6.19 -0.19 2.45 1.47 -1.26 -4.81 116.67 115.60 2e7n s ASP 49 Ca -0.08 -3.62 -0.14 0.00 1.18 0.00 0.00 52.55 49.90 2e7n s ASP 49 Cb 0.01 -1.96 -0.08 0.00 -0.34 0.00 0.00 42.92 40.55 2e7n s ASP 49 CO 0.23 -0.22 -0.31 0.00 0.68 0.00 0.00 175.17 175.55 2e7n n TYR 50 N 2.51 0.00 -0.08 2.11 9.36 -1.26 -4.59 117.16 125.21 2e7n n TYR 50 Ca 0.21 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.36 2e7n n TYR 50 Cb 0.38 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 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 -0.86 0.12 -0.78 2.98 3.86 -1.88 -1.49 115.15 117.11 2e7n h HIS 51 Ca -0.33 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.05 2e7n h HIS 51 Cb 1.22 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.54 2e7n h HIS 51 CO -0.21 0.04 -0.22 -0.25 0.86 0.00 0.00 177.93 178.14 2e7n n ASP 52 N -5.07 -0.33 -0.03 2.45 8.00 -1.26 -0.26 116.55 120.04 2e7n n ASP 52 Ca 0.00 1.34 -0.15 0.00 0.71 0.00 0.00 54.79 56.69 2e7n n ASP 52 Cb 0.13 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 2e7n n ASP 52 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2e7n h ILE 53 N 0.00 1.62 -2.93 0.53 5.03 -1.72 -3.42 117.51 116.63 2e7n h ILE 53 Ca 0.35 -2.12 -0.61 0.00 -0.12 0.00 0.00 64.86 62.37 2e7n h ILE 53 Cb 0.55 3.01 -0.12 0.00 -3.03 0.00 0.00 36.82 37.22 2e7n h ILE 53 CO -0.79 0.57 0.63 -0.63 -0.68 0.00 0.00 178.15 177.24 2e7n s ILE 54 N -2.79 4.28 0.12 -0.67 -1.09 0.64 -4.92 121.20 116.77 2e7n s ILE 54 Ca -0.17 0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.11 2e7n s ILE 54 Cb -0.00 -4.64 -0.06 0.00 -1.58 0.00 0.00 42.46 36.18 2e7n s ILE 54 CO 0.73 -1.32 1.66 0.11 -1.23 0.00 0.00 174.94 174.89 2e7n h LYS 55 N 9.48 -0.31 -2.44 2.79 1.57 -1.81 -3.41 116.57 122.44 2e7n h LYS 55 Ca -0.27 0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 2e7n h LYS 55 Cb 1.07 0.07 -0.33 0.00 0.08 0.00 0.00 32.23 33.12 2e7n h LYS 55 CO 1.14 -0.21 -0.55 -1.01 -0.57 0.00 0.00 179.45 178.26 2e7n s HIS 56 N -6.10 -0.48 0.41 -1.35 3.76 -1.26 -5.03 115.29 105.23 2e7n s HIS 56 Ca -0.15 0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 55.14 2e7n s HIS 56 Cb 0.09 -0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.54 2e7n s HIS 56 CO 0.66 -0.57 1.19 -1.25 -0.85 0.00 0.00 174.74 173.92 2e7n s PRO 57 N 2.42 4.00 0.19 8.40 0.04 -1.26 -4.95 135.00 143.84 2e7n s PRO 57 Ca 0.07 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2e7n s PRO 57 Cb -0.15 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2e7n s PRO 57 CO -0.12 -0.37 -0.03 1.41 0.04 0.00 0.00 177.00 177.93 2e7n s MET 58 N -2.34 1.19 0.15 4.56 1.75 -1.26 -5.06 119.30 118.29 2e7n s MET 58 Ca 0.58 -1.57 -0.24 0.00 -1.25 0.00 0.00 55.69 53.21 2e7n s MET 58 Cb -0.31 -0.51 0.06 0.00 2.84 0.00 0.00 34.83 36.91 2e7n s MET 58 CO 0.39 -0.06 0.76 -0.51 -0.65 0.00 0.00 175.02 174.95 2e7n s ASP 59 N -3.23 -0.38 0.09 1.11 1.01 -1.26 -4.84 116.67 109.17 2e7n s ASP 59 Ca 0.24 -0.22 -0.31 0.00 0.71 0.00 0.00 52.55 52.97 2e7n s ASP 59 Cb 0.05 0.56 -0.13 0.00 1.01 0.00 0.00 42.92 44.41 2e7n s ASP 59 CO 0.05 -0.98 1.49 -0.07 0.21 0.00 0.00 175.17 175.87 2e7n h LEU 60 N 2.00 -1.39 -0.82 1.23 -0.00 -1.89 -2.57 115.31 111.86 2e7n h LEU 60 Ca -0.26 0.14 0.08 0.00 -0.00 0.00 0.00 57.88 57.85 2e7n h LEU 60 Cb 1.27 0.51 -0.10 0.00 -0.00 0.00 0.00 40.66 42.33 2e7n h LEU 60 CO 0.30 -0.51 -0.46 -0.24 -0.00 0.00 0.00 178.44 177.54 2e7n n SER 61 N -5.12 -0.81 -0.11 -0.43 2.88 -1.26 -0.06 113.62 108.70 2e7n n SER 61 Ca -0.08 1.46 -0.09 0.00 -1.33 0.00 0.00 58.87 58.83 2e7n n SER 61 Cb 0.37 -0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.17 -0.04 2.46 2.02 -1.90 0.22 112.91 115.84 2e7n h THR 62 Ca 0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.37 2e7n h THR 62 Cb 0.36 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2e7n h THR 62 CO -0.78 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 175.56 2e7n h VAL 63 N -0.30 0.66 -0.57 3.16 2.07 -0.09 -1.90 116.25 119.27 2e7n h VAL 63 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 2e7n h VAL 63 Cb 0.57 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2e7n h VAL 63 CO -0.55 0.00 0.17 0.50 0.02 0.00 0.00 177.57 177.72 2e7n h LYS 64 N -0.20 0.32 0.21 1.57 3.64 0.21 -0.68 116.57 121.64 2e7n h LYS 64 Ca 0.06 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2e7n h LYS 64 Cb 0.29 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2e7n h LYS 64 CO -0.16 0.21 -0.33 0.00 -2.27 0.00 0.00 179.45 176.90 2e7n h ARG 65 N 0.33 -0.59 0.20 1.90 3.08 -0.12 0.57 114.38 119.75 2e7n h ARG 65 Ca 0.29 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.39 2e7n h ARG 65 Cb 0.38 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 2e7n h ARG 65 CO -0.32 -0.39 -0.37 0.87 -1.07 0.00 0.00 179.97 178.68 2e7n h LYS 66 N -0.61 -0.63 -0.62 0.04 1.57 -0.89 -1.72 116.57 113.70 2e7n h LYS 66 Ca 0.01 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2e7n h LYS 66 Cb 0.60 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2e7n h LYS 66 CO -0.14 -0.42 0.41 1.98 -0.57 0.00 0.00 179.45 180.71 2e7n h MET 67 N -0.66 0.59 -0.54 3.15 4.05 -0.98 0.43 114.93 120.97 2e7n h MET 67 Ca 0.01 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 2e7n h MET 67 Cb 0.65 -0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 31.24 2e7n h MET 67 CO -0.17 0.39 0.07 0.22 0.23 0.00 0.00 176.91 177.65 2e7n h ASP 68 N 0.61 -0.10 -0.81 1.39 3.58 0.11 -0.51 116.42 120.69 2e7n h ASP 68 Ca 0.27 0.11 -0.46 0.00 0.42 0.00 0.00 57.03 57.37 2e7n h ASP 68 Cb 0.27 0.18 -0.25 0.00 1.72 0.00 0.00 39.33 41.25 2e7n h ASP 68 CO -0.08 -0.03 0.58 0.61 -2.88 0.00 0.00 179.24 177.45 2e7n n GLY 69 N -1.31 4.36 4.24 -0.78 0.00 -0.83 -4.88 105.19 105.99 2e7n n GLY 69 Ca 0.07 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.73 -2.34 0.04 1.61 3.00 -0.20 -4.83 116.66 113.21 2e7n n ARG 70 Ca 0.49 0.29 -0.15 0.00 -0.01 0.00 0.00 57.85 58.47 2e7n n ARG 70 Cb 1.23 -4.61 -0.05 0.00 0.00 0.00 0.00 32.46 29.02 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 -1.52 0.55 -6.49 5.56 5.08 -1.13 -3.32 114.58 113.31 2e7n h GLU 71 Ca -0.61 -0.54 -0.53 0.00 -1.00 0.00 0.00 59.36 56.67 2e7n h GLU 71 Cb 1.39 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2e7n h GLU 71 CO 0.75 1.17 0.75 0.71 -1.00 0.00 0.00 179.01 181.39 2e7n s TYR 72 N -3.43 3.12 -0.01 4.33 2.02 -1.26 -4.59 117.35 117.53 2e7n s TYR 72 Ca -0.08 0.92 -0.25 0.00 -0.37 0.00 0.00 57.07 57.30 2e7n s TYR 72 Cb 0.09 -3.67 -0.19 0.00 -0.40 0.00 0.00 41.96 37.79 2e7n s TYR 72 CO 0.88 -2.37 1.29 -1.00 -1.57 0.00 0.00 175.55 172.78 2e7n h PRO 73 N 7.15 0.08 -3.79 -1.71 0.13 -1.86 -3.44 132.00 128.57 2e7n h PRO 73 Ca -0.41 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2e7n h PRO 73 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2e7n h PRO 73 CO 0.87 0.55 -0.21 -0.51 -0.23 0.00 0.00 178.00 178.47 2e7n s ASP 74 N -5.80 -0.05 0.36 1.44 1.11 -1.26 -4.57 116.67 107.91 2e7n s ASP 74 Ca -0.15 -0.93 0.19 0.00 0.18 0.00 0.00 52.55 51.84 2e7n s ASP 74 Cb 0.02 0.53 1.29 0.00 1.07 0.00 0.00 42.92 45.83 2e7n s ASP 74 CO 0.69 -1.04 1.58 0.00 1.18 0.00 0.00 175.17 177.59 2e7n h ALA 75 N 2.36 2.07 -0.23 5.23 0.00 -1.92 -0.10 119.26 126.67 2e7n h ALA 75 Ca -0.29 0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2e7n h ALA 75 Cb 1.25 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2e7n h ALA 75 CO 0.41 -0.91 -0.37 1.96 0.00 0.00 0.00 179.25 180.34 2e7n h GLN 76 N 0.01 -0.29 -0.40 0.00 7.50 -1.99 0.17 115.11 120.12 2e7n h GLN 76 Ca 0.82 0.02 0.08 0.00 0.50 0.00 0.00 58.65 60.07 2e7n h GLN 76 Cb 2.13 0.07 -0.07 0.00 0.05 0.00 0.00 27.48 29.65 2e7n h GLN 76 CO -0.78 -0.19 -0.09 0.78 -1.50 0.00 0.00 178.83 177.06 2e7n h GLY 77 N -0.30 0.31 0.30 3.46 0.00 -1.40 0.14 103.07 105.58 2e7n h GLY 77 Ca 0.04 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2e7n h GLY 77 CO -0.37 -0.15 -0.38 -2.75 0.00 0.00 0.00 176.54 172.89 2e7n h PHE 78 N 0.01 -1.06 0.59 5.60 3.57 -1.19 -2.35 116.94 122.12 2e7n h PHE 78 Ca 0.19 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2e7n h PHE 78 Cb 0.29 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2e7n h PHE 78 CO -0.34 -0.48 -0.39 0.00 -2.23 0.00 0.00 178.31 174.87 2e7n h ALA 79 N -0.01 -0.97 -0.84 2.41 0.00 -0.29 -2.64 119.26 116.93 2e7n h ALA 79 Ca 0.04 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2e7n h ALA 79 Cb 0.63 0.50 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 2e7n h ALA 79 CO -0.25 -1.06 -0.17 0.00 0.00 0.00 0.00 179.25 177.77 2e7n n ALA 80 N -2.63 0.24 0.35 0.00 0.00 0.47 0.02 120.51 118.96 2e7n n ALA 80 Ca -0.13 0.92 -0.18 0.00 0.00 0.00 0.00 53.44 54.06 2e7n n ALA 80 Cb 0.41 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 2e7n n ALA 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2e7n h ASP 81 N 0.00 -0.73 -0.45 0.00 1.82 -1.16 -1.27 116.42 114.62 2e7n h ASP 81 Ca 0.42 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 57.17 2e7n h ASP 81 Cb 0.69 0.19 -0.09 0.00 0.68 0.00 0.00 39.33 40.80 2e7n h ASP 81 CO -0.85 -0.51 -0.13 0.58 -1.61 0.00 0.00 179.24 176.72 2e7n h VAL 82 N -0.88 0.52 0.33 2.25 2.07 -0.06 -2.07 116.25 118.41 2e7n h VAL 82 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2e7n h VAL 82 Cb 0.67 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2e7n h VAL 82 CO 0.15 0.00 -0.38 0.03 0.02 0.00 0.00 177.57 177.39 2e7n h ARG 83 N -0.02 -0.72 -0.89 1.57 3.08 -0.68 -2.34 114.38 114.38 2e7n h ARG 83 Ca 0.22 0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.56 2e7n h ARG 83 Cb 0.35 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 2e7n h ARG 83 CO -0.48 -0.48 0.19 1.25 -1.07 0.00 0.00 179.97 179.38 2e7n h LEU 84 N -0.75 -0.11 -1.01 3.04 5.85 -0.72 0.68 115.31 122.29 2e7n h LEU 84 Ca -0.02 0.22 0.14 0.00 0.84 0.00 0.00 57.88 59.06 2e7n h LEU 84 Cb 0.69 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2e7n h LEU 84 CO -0.09 -0.21 0.63 -0.03 -0.34 0.00 0.00 178.44 178.39 2e7n h MET 85 N 0.15 0.90 -0.01 1.25 4.05 -0.83 -2.11 114.93 118.32 2e7n h MET 85 Ca 0.56 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.92 2e7n h MET 85 Cb 1.16 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2e7n h MET 85 CO -0.72 0.59 -0.04 0.74 0.23 0.00 0.00 176.91 177.71 2e7n h PHE 86 N 0.92 0.06 -0.86 1.39 0.04 0.44 -3.26 116.94 115.68 2e7n h PHE 86 Ca 0.52 -0.03 0.22 0.00 2.80 0.00 0.00 57.97 61.49 2e7n h PHE 86 Cb 0.62 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.61 2e7n h PHE 86 CO -0.00 0.71 0.10 1.03 -0.60 0.00 0.00 178.31 179.55 2e7n h SER 87 N -0.61 -0.24 -0.41 2.17 0.87 -0.58 0.23 113.55 114.99 2e7n h SER 87 Ca -0.00 0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 2e7n h SER 87 Cb 0.72 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 62.97 2e7n h SER 87 CO 0.01 -0.21 0.12 0.78 -0.53 0.00 0.00 176.83 176.99 2e7n h ASN 88 N 0.12 0.08 -0.37 6.23 2.35 -1.46 -1.74 115.58 120.81 2e7n h ASN 88 Ca 0.51 0.06 0.08 0.00 -0.55 0.00 0.00 56.30 56.40 2e7n h ASN 88 Cb 1.00 0.06 -0.09 0.00 0.05 0.00 0.00 38.32 39.34 2e7n h ASN 88 CO -0.72 0.08 -0.33 0.00 -1.65 0.00 0.00 177.43 174.82 2e7n n TYR 90 N -5.41 0.22 -0.05 0.00 4.01 -1.00 -2.30 117.16 112.64 2e7n n TYR 90 Ca 0.00 -0.08 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 2e7n n TYR 90 Cb 0.33 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.00 1.49 -0.03 -0.72 4.81 0.17 -4.88 118.16 119.00 2e7n n LYS 91 Ca 0.03 0.03 -0.05 0.00 -0.87 0.00 0.00 58.31 57.45 2e7n n LYS 91 Cb 0.30 -1.23 -0.02 0.00 0.02 0.00 0.00 35.03 34.10 2e7n n LYS 91 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2e7n n TYR 92 N -2.57 0.00 -1.64 5.64 9.36 -0.39 -4.99 117.16 122.59 2e7n n TYR 92 Ca -0.17 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.61 2e7n n TYR 92 Cb 0.76 -0.28 -0.01 0.00 -0.63 0.00 0.00 39.34 39.17 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 -4.01 1.94 -4.73 2.98 3.02 -0.97 -4.95 115.26 108.53 2e7n n ASN 93 Ca -0.08 1.19 -0.30 0.00 -0.03 0.00 0.00 54.58 55.36 2e7n n ASN 93 Cb 0.30 -1.37 0.13 0.00 -0.61 0.00 0.00 39.78 38.22 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 -1.58 1.52 0.37 3.52 0.04 -1.26 -4.74 135.00 132.86 2e7n s PRO 94 Ca 0.58 0.91 0.16 0.00 0.04 0.00 0.00 61.00 62.69 2e7n s PRO 94 Cb -0.65 -1.83 0.71 0.00 0.04 0.00 0.00 34.50 32.77 2e7n s PRO 94 CO 0.60 -2.09 1.78 -1.00 0.04 0.00 0.00 177.00 176.33 2e7n h PRO 95 N -1.44 0.00 -0.93 0.56 0.13 -1.97 -2.84 132.00 125.50 2e7n h PRO 95 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2e7n h PRO 95 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 2e7n h PRO 95 CO 0.54 0.40 0.15 -0.40 -0.23 0.00 0.00 178.00 178.46 2e7n n ASP 96 N -3.80 3.13 -4.76 1.44 5.75 -1.26 -4.86 116.55 112.18 2e7n n ASP 96 Ca -0.01 -2.52 -0.36 0.00 -0.01 0.00 0.00 54.79 51.89 2e7n n ASP 96 Cb 0.46 -0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 39.87 2e7n n ASP 96 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2e7n s HIS 97 N -1.45 3.44 0.05 2.11 2.46 -1.08 -5.01 115.29 115.82 2e7n s HIS 97 Ca 0.22 0.36 -0.23 0.00 0.47 0.00 0.00 55.06 55.88 2e7n s HIS 97 Cb 0.18 -2.08 -0.15 0.00 -0.13 0.00 0.00 32.58 30.41 2e7n s HIS 97 CO 0.05 0.41 1.53 1.05 -2.47 0.00 0.00 174.74 175.31 2e7n h GLU 98 N 6.13 0.11 -1.34 2.88 4.11 -1.90 -2.83 114.58 121.75 2e7n h GLU 98 Ca -0.45 -0.03 0.41 0.00 0.07 0.00 0.00 59.36 59.37 2e7n h GLU 98 Cb 1.18 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 2e7n h GLU 98 CO 0.69 0.31 0.89 -0.24 0.07 0.00 0.00 179.01 180.74 2e7n h VAL 99 N -0.11 0.21 -0.93 -1.06 3.04 -1.96 0.88 116.25 116.32 2e7n h VAL 99 Ca 0.02 -0.04 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2e7n h VAL 99 Cb 0.25 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 29.56 2e7n h VAL 99 CO 0.00 0.02 0.62 0.58 -1.01 0.00 0.00 177.57 177.78 2e7n h VAL 100 N 0.12 1.23 -0.61 1.51 2.07 -1.83 -1.43 116.25 117.31 2e7n h VAL 100 Ca 0.77 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.76 2e7n h VAL 100 Cb 2.50 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2e7n h VAL 100 CO -0.30 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.52 2e7n h ALA 101 N 1.42 0.85 -0.42 1.67 0.00 0.70 -2.90 119.26 120.58 2e7n h ALA 101 Ca 0.34 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2e7n h ALA 101 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2e7n h ALA 101 CO -0.08 0.67 -0.11 0.52 0.00 0.00 0.00 179.25 180.26 2e7n h MET 102 N 0.98 0.76 -0.77 0.00 2.86 -1.23 -2.81 114.93 114.72 2e7n h MET 102 Ca 0.17 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2e7n h MET 102 Cb 0.55 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 2e7n h MET 102 CO 0.03 0.84 0.51 0.00 1.06 0.00 0.00 176.91 179.34 2e7n h ALA 103 N 1.19 1.58 0.77 6.32 0.00 -1.08 -2.90 119.26 125.16 2e7n h ALA 103 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2e7n h ALA 103 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2e7n h ALA 103 CO 0.04 0.32 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 2e7n h ARG 104 N 0.90 -1.08 -0.83 0.00 3.08 -1.39 -1.37 114.38 113.69 2e7n h ARG 104 Ca 0.32 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.53 2e7n h ARG 104 Cb 0.13 0.24 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 2e7n h ARG 104 CO -0.10 -0.72 -0.44 1.63 -1.07 0.00 0.00 179.97 179.28 2e7n n LYS 105 N -5.58 -0.31 0.02 0.04 5.02 -1.10 0.14 118.16 116.39 2e7n n LYS 105 Ca -0.15 1.26 -0.11 0.00 -2.02 0.00 0.00 58.31 57.29 2e7n n LYS 105 Cb 0.46 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.00 -0.97 -0.35 5.85 -1.55 -2.45 115.31 115.85 2e7n h LEU 106 Ca 0.18 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.20 2e7n h LEU 106 Cb 0.39 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.28 2e7n h LEU 106 CO -0.79 0.01 0.46 -0.61 -0.34 0.00 0.00 178.44 177.16 2e7n h GLN 107 N 0.03 0.28 -0.46 1.25 4.15 0.87 0.48 115.11 121.70 2e7n h GLN 107 Ca 0.02 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2e7n h GLN 107 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2e7n h GLN 107 CO -0.03 0.18 0.17 0.22 -1.93 0.00 0.00 178.83 177.44 2e7n h ASP 108 N 0.28 0.65 -0.50 -0.69 3.58 -0.65 0.07 116.42 119.17 2e7n h ASP 108 Ca 0.68 -0.18 -0.11 0.00 0.42 0.00 0.00 57.03 57.84 2e7n h ASP 108 Cb 1.50 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 2e7n h ASP 108 CO -0.63 0.66 -0.08 0.58 -2.88 0.00 0.00 179.24 176.89 2e7n h VAL 109 N 0.61 1.26 -0.28 2.25 2.07 -0.02 0.28 116.25 122.42 2e7n h VAL 109 Ca 0.15 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 2e7n h VAL 109 Cb 0.22 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2e7n h VAL 109 CO -0.01 0.43 -0.34 0.15 0.02 0.00 0.00 177.57 177.82 2e7n h PHE 110 N 0.88 0.72 0.00 1.57 3.57 -0.54 -2.63 116.94 120.51 2e7n h PHE 110 Ca 0.14 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2e7n h PHE 110 Cb 0.63 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2e7n h PHE 110 CO 0.04 0.88 -0.00 0.93 -2.23 0.00 0.00 178.31 177.92 2e7n h GLU 111 N 0.52 -0.01 -1.13 1.11 5.08 -0.81 -3.06 114.58 116.30 2e7n h GLU 111 Ca 0.06 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.84 2e7n h GLU 111 Cb 0.83 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.92 2e7n h GLU 111 CO 0.07 -0.00 0.66 0.00 -1.00 0.00 0.00 179.01 178.74 2e7n h MET 112 N -0.48 0.05 0.71 2.33 -0.00 -0.57 0.62 114.93 117.59 2e7n h MET 112 Ca -0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 2e7n h MET 112 Cb 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 31.60 2e7n h MET 112 CO 0.00 0.03 -0.34 0.00 -0.00 0.00 0.00 176.91 176.60 2e7n h ARG 113 N 0.05 -0.92 -1.09 -0.10 2.47 -1.59 -1.05 114.38 112.15 2e7n h ARG 113 Ca 0.84 0.06 0.42 0.00 -1.26 0.00 0.00 59.98 60.04 2e7n h ARG 113 Cb 2.35 0.21 -0.15 0.00 -1.65 0.00 0.00 29.97 30.72 2e7n h ARG 113 CO -0.64 -0.61 0.65 0.34 0.56 0.00 0.00 179.97 180.27 2e7n n PHE 114 N -5.26 0.90 0.01 3.04 7.35 0.18 0.11 117.46 123.79 2e7n n PHE 114 Ca -0.12 0.91 -0.18 0.00 -0.76 0.00 0.00 57.45 57.30 2e7n n PHE 114 Cb 0.38 -1.33 -0.13 0.00 0.35 0.00 0.00 39.48 38.75 2e7n n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2e7n h ALA 115 N 1.71 0.00 -0.93 3.13 0.00 -1.36 -3.31 119.26 118.51 2e7n h ALA 115 Ca 0.81 -0.60 0.22 0.00 0.00 0.00 0.00 54.91 55.34 2e7n h ALA 115 Cb 2.35 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 20.03 2e7n h ALA 115 CO -0.60 0.31 -0.08 0.87 0.00 0.00 0.00 179.25 179.75 2e7n h LYS 116 N -0.29 0.02 0.00 0.00 1.79 0.21 -3.52 116.57 114.78 2e7n h LYS 116 Ca -0.09 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2e7n h LYS 116 Cb 1.39 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2e7n h LYS 116 CO 0.12 0.01 0.00 -0.12 -1.08 0.00 0.00 179.45 178.38