#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 5.65 -0.26 1.61 0.01 -1.26 -5.05 113.70 114.41 2e7n s SER 2 Ca 0.00 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.02 2e7n s SER 2 Cb 0.00 -1.52 -0.14 0.00 0.21 0.00 0.00 66.02 64.57 2e7n s SER 2 CO 0.00 0.07 -0.19 -1.54 0.41 0.00 0.00 173.24 171.99 2e7n n SER 3 N -0.33 1.93 0.00 2.44 3.41 -1.26 -5.10 113.62 114.71 2e7n n SER 3 Ca -0.08 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2e7n n SER 3 Cb 0.54 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2e7n n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e7n n GLY 4 N 1.31 3.17 3.73 5.00 0.00 -1.26 -5.09 105.19 112.05 2e7n n GLY 4 Ca -0.47 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 6.67 0.05 1.61 0.15 -1.26 -4.94 113.70 115.97 2e7n s SER 5 Ca 0.00 2.59 -0.31 0.00 0.70 0.00 0.00 55.95 58.93 2e7n s SER 5 Cb 0.00 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.52 2e7n s SER 5 CO 0.00 -0.73 1.46 0.28 1.20 0.00 0.00 173.24 175.45 2e7n h SER 6 N 5.88 -0.77 0.00 5.45 0.02 -2.00 -3.48 113.55 118.66 2e7n h SER 6 Ca -0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2e7n h SER 6 Cb 1.21 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2e7n h SER 6 CO 0.83 -0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 2e7n n GLY 7 N -1.17 0.16 0.00 -3.77 0.00 -1.26 -5.02 105.19 94.12 2e7n n GLY 7 Ca -0.13 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 4.15 3.85 -0.02 0.00 -1.26 -5.12 105.19 106.79 2e7n n GLY 8 Ca 0.00 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.37 3.47 0.79 1.61 3.01 -1.26 -4.93 119.74 122.05 2e7n s LYS 9 Ca 0.00 0.86 -0.10 0.00 -1.01 0.00 0.00 55.97 55.72 2e7n s LYS 9 Cb 0.00 -2.06 0.16 0.00 -1.01 0.00 0.00 37.83 34.92 2e7n s LYS 9 CO 0.00 -0.67 0.36 1.28 0.51 0.00 0.00 175.35 176.83 2e7n n LEU 10 N -2.62 0.00 -3.89 3.17 4.32 -1.26 -5.03 117.00 111.69 2e7n n LEU 10 Ca 0.07 -0.37 -0.09 0.00 -0.02 0.00 0.00 56.01 55.59 2e7n n LEU 10 Cb 0.54 -0.59 -0.06 0.00 -1.62 0.00 0.00 43.42 41.69 2e7n n LEU 10 CO 0.55 -2.19 0.09 -0.44 -1.22 0.00 0.00 177.39 174.18 2e7n s SER 11 N -2.00 -0.07 0.66 -1.43 0.01 -1.26 -4.95 113.70 104.66 2e7n s SER 11 Ca 0.28 -0.75 0.20 0.00 1.31 0.00 0.00 55.95 56.98 2e7n s SER 11 Cb -0.05 0.50 1.04 0.00 0.21 0.00 0.00 66.02 67.71 2e7n s SER 11 CO 0.23 -0.97 1.58 1.05 0.41 0.00 0.00 173.24 175.55 2e7n h GLU 12 N 2.41 0.00 0.00 12.44 4.11 -1.99 0.36 114.58 131.91 2e7n h GLU 12 Ca -0.30 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.00 2e7n h GLU 12 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2e7n h GLU 12 CO 0.44 0.00 -0.88 0.45 0.07 0.00 0.00 179.01 179.08 2e7n h HIS 13 N 0.00 0.00 -0.02 2.06 3.86 -2.00 -3.37 115.15 115.67 2e7n h HIS 13 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2e7n h HIS 13 Cb 1.25 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.72 2e7n h HIS 13 CO 0.00 0.91 0.01 -0.07 0.86 0.00 0.00 177.93 179.64 2e7n h LEU 14 N -1.00 0.03 -1.98 2.43 3.38 -1.44 -1.91 115.31 114.82 2e7n h LEU 14 Ca -0.20 -0.10 0.46 0.00 0.09 0.00 0.00 57.88 58.13 2e7n h LEU 14 Cb 0.97 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2e7n h LEU 14 CO -0.12 0.13 1.15 0.08 0.09 0.00 0.00 178.44 179.77 2e7n h ARG 15 N -0.07 0.00 0.11 1.13 0.11 -0.59 0.48 114.38 115.55 2e7n h ARG 15 Ca 0.01 -0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.80 2e7n h ARG 15 Cb 0.10 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 2e7n h ARG 15 CO -0.00 0.00 -1.49 -0.92 0.10 0.00 0.00 179.97 177.66 2e7n h TYR 16 N 0.00 0.43 -0.36 4.08 5.03 -1.58 -3.36 116.97 121.21 2e7n h TYR 16 Ca 0.76 -0.31 -0.01 0.00 2.58 0.00 0.00 58.73 61.75 2e7n h TYR 16 Cb 3.06 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 41.30 2e7n h TYR 16 CO -0.00 1.58 0.18 0.00 -1.32 0.00 0.00 178.16 178.61 2e7n h ASP 18 N 0.50 0.52 -0.67 0.00 3.58 -0.67 -2.19 116.42 117.49 2e7n h ASP 18 Ca 0.13 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 2e7n h ASP 18 Cb 0.04 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2e7n h ASP 18 CO -0.02 0.34 0.16 0.28 -2.88 0.00 0.00 179.24 177.12 2e7n h SER 19 N 0.65 1.01 -1.40 2.28 0.02 -1.57 -2.79 113.55 111.75 2e7n h SER 19 Ca 0.28 -0.23 0.46 0.00 -0.84 0.00 0.00 61.79 61.45 2e7n h SER 19 Cb 0.16 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 62.31 2e7n h SER 19 CO -0.17 0.98 0.91 0.40 -1.14 0.00 0.00 176.83 177.82 2e7n h ILE 20 N 0.99 0.09 0.10 3.27 2.04 -1.20 0.51 117.51 123.31 2e7n h ILE 20 Ca 0.21 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.91 2e7n h ILE 20 Cb 0.37 0.03 0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2e7n h ILE 20 CO 0.00 0.01 -0.62 0.25 0.00 0.00 0.00 178.15 177.79 2e7n h LEU 21 N 0.05 0.37 -0.92 1.44 5.85 -1.54 -3.21 115.31 117.36 2e7n h LEU 21 Ca 0.84 -0.94 0.19 0.00 0.84 0.00 0.00 57.88 58.82 2e7n h LEU 21 Cb 2.75 -0.12 -0.17 0.00 0.37 0.00 0.00 40.66 43.49 2e7n h LEU 21 CO -0.39 1.29 -0.19 0.03 -0.34 0.00 0.00 178.44 178.83 2e7n h ARG 22 N -0.48 0.01 0.06 1.25 2.47 0.05 0.17 114.38 117.91 2e7n h ARG 22 Ca -0.11 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2e7n h ARG 22 Cb 1.47 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2e7n h ARG 22 CO 0.12 0.00 -0.03 1.49 0.56 0.00 0.00 179.97 182.11 2e7n h GLU 23 N 0.01 -0.07 -0.42 0.04 4.57 -1.59 -2.50 114.58 114.61 2e7n h GLU 23 Ca 0.46 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.76 2e7n h GLU 23 Cb 0.73 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 2e7n h GLU 23 CO -0.93 0.13 0.44 0.52 -1.18 0.00 0.00 179.01 177.99 2e7n h MET 24 N -0.27 0.00 -0.97 1.92 2.86 -0.78 0.28 114.93 117.97 2e7n h MET 24 Ca -0.01 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 2e7n h MET 24 Cb 0.24 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.78 2e7n h MET 24 CO 0.01 0.00 0.25 1.28 1.06 0.00 0.00 176.91 179.51 2e7n n LEU 25 N -3.74 4.45 -4.91 1.22 4.77 0.02 -4.49 117.00 114.32 2e7n n LEU 25 Ca 0.07 -2.32 -0.30 0.00 -0.03 0.00 0.00 56.01 53.43 2e7n n LEU 25 Cb 0.62 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2e7n n LEU 25 CO 0.28 0.70 -0.05 -0.55 -1.33 0.00 0.00 177.39 176.43 2e7n s SER 26 N -0.11 6.41 0.46 -1.43 0.15 0.98 -4.95 113.70 115.22 2e7n s SER 26 Ca 0.26 0.40 0.16 0.00 0.70 0.00 0.00 55.95 57.48 2e7n s SER 26 Cb 0.22 -2.01 1.13 0.00 -1.71 0.00 0.00 66.02 63.65 2e7n s SER 26 CO 0.05 0.08 2.01 0.11 1.20 0.00 0.00 173.24 176.69 2e7n h LYS 27 N 2.74 0.27 -0.73 5.44 1.79 -1.90 0.48 116.57 124.66 2e7n h LYS 27 Ca -0.46 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2e7n h LYS 27 Cb 1.17 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 2e7n h LYS 27 CO 0.73 0.18 0.45 -0.22 -1.08 0.00 0.00 179.45 179.51 2e7n h LYS 28 N 0.27 0.98 0.00 3.15 3.64 -1.94 -2.58 116.57 120.10 2e7n h LYS 28 Ca 0.23 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2e7n h LYS 28 Cb 0.56 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2e7n h LYS 28 CO -0.05 0.68 -0.89 0.72 -2.27 0.00 0.00 179.45 177.64 2e7n n HIS 29 N -4.54 0.74 -0.34 1.91 8.25 -0.49 -4.11 115.22 116.65 2e7n n HIS 29 Ca 0.07 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.85 2e7n n HIS 29 Cb 0.04 -0.79 0.29 0.00 1.12 0.00 0.00 29.99 30.65 2e7n n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2e7n h ALA 30 N 2.24 1.54 -0.84 -1.41 0.00 0.33 1.35 119.26 122.48 2e7n h ALA 30 Ca 0.00 0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.18 2e7n h ALA 30 Cb 0.88 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 2e7n h ALA 30 CO 0.00 -0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.52 2e7n h ALA 31 N 1.61 1.25 -0.02 0.00 0.00 -1.71 0.15 119.26 120.54 2e7n h ALA 31 Ca 0.54 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.61 2e7n h ALA 31 Cb 0.80 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2e7n h ALA 31 CO -0.37 -0.33 -0.04 2.48 0.00 0.00 0.00 179.25 180.99 2e7n n TYR 32 N -5.08 0.08 -0.54 0.00 0.18 -0.27 -4.55 117.16 106.98 2e7n n TYR 32 Ca 0.19 -1.04 0.00 0.00 1.88 0.00 0.00 57.90 58.93 2e7n n TYR 32 Cb 0.58 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 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 -1.35 1.28 0.05 -3.48 0.00 0.45 -3.91 120.51 113.55 2e7n n ALA 33 Ca 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 2e7n n ALA 33 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 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 0.03 0.00 0.00 5.08 -0.94 -3.26 115.95 116.86 2e7n h TRP 34 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.95 2e7n h TRP 34 Cb 0.48 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 2e7n h TRP 34 CO 0.00 1.02 0.57 -1.35 -1.28 0.00 0.00 178.44 177.40 2e7n h PRO 35 N 0.01 0.00 0.00 0.12 0.11 -1.85 0.75 132.00 131.14 2e7n h PRO 35 Ca -0.05 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 2e7n h PRO 35 Cb 1.81 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.89 2e7n h PRO 35 CO 0.13 0.00 -1.93 1.19 -0.21 0.00 0.00 178.00 177.18 2e7n n PHE 36 N -2.55 0.00 -0.29 0.65 3.01 -1.23 -4.56 117.46 112.49 2e7n n PHE 36 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 2e7n n PHE 36 Cb 0.59 -0.58 0.06 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.76 -2.82 1.38 -1.99 0.48 -3.25 116.97 110.01 2e7n h TYR 37 Ca -0.21 0.08 -0.64 0.00 2.00 0.00 0.00 58.73 59.97 2e7n h TYR 37 Cb 1.36 0.45 -0.06 0.00 2.00 0.00 0.00 36.73 40.48 2e7n h TYR 37 CO 0.00 -0.38 -0.43 -1.59 -0.00 0.00 0.00 178.16 175.76 2e7n s LYS 38 N -6.09 3.53 0.55 4.88 -2.85 -1.23 -4.36 119.74 114.17 2e7n s LYS 38 Ca -0.14 -0.13 -0.19 0.00 -1.00 0.00 0.00 55.97 54.51 2e7n s LYS 38 Cb 0.20 -3.12 -0.06 0.00 -2.06 0.00 0.00 37.83 32.80 2e7n s LYS 38 CO 0.73 0.69 1.13 -1.25 0.10 0.00 0.00 175.35 176.75 2e7n s PRO 39 N -1.59 3.33 -0.62 1.78 0.04 -1.26 -4.93 135.00 131.75 2e7n s PRO 39 Ca 0.24 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 2e7n s PRO 39 Cb -0.13 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2e7n s PRO 39 CO 0.14 -0.87 1.83 0.54 0.04 0.00 0.00 177.00 178.68 2e7n s VAL 40 N -1.79 3.37 -0.92 -0.36 0.11 -1.26 -4.92 120.40 114.63 2e7n s VAL 40 Ca 0.73 0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 59.82 2e7n s VAL 40 Cb -0.24 -3.98 0.16 0.00 -1.53 0.00 0.00 36.38 30.79 2e7n s VAL 40 CO 0.28 -0.95 1.03 -0.62 -3.33 0.00 0.00 175.10 171.51 2e7n s ASP 41 N 7.87 6.70 0.39 3.54 -1.08 -1.26 -4.88 116.67 127.97 2e7n s ASP 41 Ca 0.66 -2.31 0.16 0.00 -0.52 0.00 0.00 52.55 50.54 2e7n s ASP 41 Cb -0.12 -2.34 1.04 0.00 -1.46 0.00 0.00 42.92 40.03 2e7n s ASP 41 CO 0.21 -0.89 1.81 0.00 0.52 0.00 0.00 175.17 176.82 2e7n h ALA 42 N 8.41 2.14 0.41 3.66 0.00 -1.91 0.37 119.26 132.34 2e7n h ALA 42 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2e7n h ALA 42 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2e7n h ALA 42 CO 1.01 -0.48 -0.20 0.93 0.00 0.00 0.00 179.25 180.51 2e7n h GLU 43 N 0.46 -0.53 0.70 0.00 4.39 -1.96 -3.37 114.58 114.27 2e7n h GLU 43 Ca 0.53 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.24 2e7n h GLU 43 Cb 1.25 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2e7n h GLU 43 CO -0.24 -0.35 -0.48 0.00 -1.16 0.00 0.00 179.01 176.78 2e7n h ALA 44 N -1.43 -1.24 -2.13 3.43 0.00 -1.88 -3.44 119.26 112.57 2e7n h ALA 44 Ca -0.06 -0.23 -0.42 0.00 0.00 0.00 0.00 54.91 54.20 2e7n h ALA 44 Cb 0.42 0.62 0.20 0.00 0.00 0.00 0.00 17.79 19.03 2e7n h ALA 44 CO 0.09 -1.21 0.03 -0.51 0.00 0.00 0.00 179.25 177.66 2e7n s LEU 45 N -9.75 0.46 -0.95 0.00 1.02 0.13 -4.97 118.68 104.63 2e7n s LEU 45 Ca -0.18 1.14 -0.03 0.00 0.02 0.00 0.00 54.13 55.08 2e7n s LEU 45 Cb 0.03 -2.95 0.25 0.00 0.02 0.00 0.00 46.19 43.54 2e7n s LEU 45 CO 0.57 -4.28 0.96 -0.62 0.02 0.00 0.00 176.35 173.01 2e7n n GLU 46 N -4.93 3.11 -4.05 1.70 -0.58 -1.26 -4.77 120.64 109.86 2e7n n GLU 46 Ca 0.07 -4.51 -0.23 0.00 -0.42 0.00 0.00 57.16 52.06 2e7n n GLU 46 Cb 0.57 -2.44 -0.06 0.00 -0.57 0.00 0.00 31.44 28.94 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2e7n s LEU 47 N -1.72 3.21 -0.39 -4.62 1.43 -1.26 -5.11 118.68 110.22 2e7n s LEU 47 Ca 0.30 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2e7n s LEU 47 Cb -0.03 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.64 2e7n s LEU 47 CO -0.07 -0.43 0.11 -2.28 0.23 0.00 0.00 176.35 173.91 2e7n s HIS 48 N -2.50 3.39 -1.29 0.29 5.65 -1.26 -4.79 115.29 114.78 2e7n s HIS 48 Ca 0.40 -2.93 -0.01 0.00 0.25 0.00 0.00 55.06 52.78 2e7n s HIS 48 Cb -0.00 -2.77 0.00 0.00 -1.18 0.00 0.00 32.58 28.63 2e7n s HIS 48 CO 0.23 -0.89 0.78 -0.25 -0.65 0.00 0.00 174.74 173.97 2e7n n ASP 49 N 3.98 -1.54 0.05 9.88 8.00 -1.26 -4.90 116.55 130.77 2e7n n ASP 49 Ca 0.04 -0.77 -0.11 0.00 0.71 0.00 0.00 54.79 54.66 2e7n n ASP 49 Cb 0.39 -4.30 -0.04 0.00 -0.02 0.00 0.00 41.12 37.14 2e7n n ASP 49 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2e7n h TYR 50 N -1.89 -0.51 -0.12 1.24 5.03 -1.97 -2.74 116.97 116.01 2e7n h TYR 50 Ca -0.60 0.02 0.04 0.00 2.58 0.00 0.00 58.73 60.77 2e7n h TYR 50 Cb 1.35 0.23 -0.05 0.00 1.55 0.00 0.00 36.73 39.81 2e7n h TYR 50 CO 0.46 -0.27 -0.18 0.45 -1.32 0.00 0.00 178.16 177.30 2e7n h HIS 51 N -0.30 -0.47 -0.81 -3.82 3.86 -1.91 -0.83 115.15 110.87 2e7n h HIS 51 Ca 0.06 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.42 2e7n h HIS 51 Cb 0.39 0.23 -0.13 0.00 1.06 0.00 0.00 27.41 28.95 2e7n h HIS 51 CO -0.25 -0.26 -0.32 -0.25 0.86 0.00 0.00 177.93 177.72 2e7n n ASP 52 N -5.32 -0.53 0.07 2.45 9.92 -1.04 -0.79 116.55 121.30 2e7n n ASP 52 Ca -0.03 1.42 -0.12 0.00 -0.53 0.00 0.00 54.79 55.53 2e7n n ASP 52 Cb 0.24 -0.32 -0.08 0.00 -0.64 0.00 0.00 41.12 40.31 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 0.92 -3.59 0.53 2.04 -1.38 -3.41 117.51 112.61 2e7n h ILE 53 Ca 0.28 -1.00 -0.58 0.00 1.00 0.00 0.00 64.86 64.55 2e7n h ILE 53 Cb 0.48 1.47 -0.09 0.00 -0.74 0.00 0.00 36.82 37.94 2e7n h ILE 53 CO -0.81 0.21 0.72 -0.63 0.00 0.00 0.00 178.15 177.65 2e7n s ILE 54 N -3.90 4.34 -0.02 -0.67 -1.09 0.03 -4.93 121.20 114.96 2e7n s ILE 54 Ca -0.14 0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 58.95 2e7n s ILE 54 Cb 0.01 -4.53 -0.12 0.00 -1.58 0.00 0.00 42.46 36.24 2e7n s ILE 54 CO 0.53 -0.97 0.84 0.11 -1.23 0.00 0.00 174.94 174.23 2e7n h LYS 55 N 9.20 -0.52 -3.75 2.79 1.79 -1.81 -3.41 116.57 120.86 2e7n h LYS 55 Ca -0.24 0.04 -0.63 0.00 -2.18 0.00 0.00 60.65 57.63 2e7n h LYS 55 Cb 1.07 0.12 -0.40 0.00 -1.58 0.00 0.00 32.23 31.43 2e7n h LYS 55 CO 1.08 -0.25 -0.70 -3.38 -1.08 0.00 0.00 179.45 175.12 2e7n s HIS 56 N -3.77 2.91 1.08 -1.35 -3.43 -1.26 -5.06 115.29 104.41 2e7n s HIS 56 Ca -0.11 -2.76 -0.18 0.00 -0.80 0.00 0.00 55.06 51.21 2e7n s HIS 56 Cb 0.01 -2.50 0.27 0.00 -1.43 0.00 0.00 32.58 28.93 2e7n s HIS 56 CO 0.36 -0.84 0.96 -0.35 -2.00 0.00 0.00 174.74 172.87 2e7n n PRO 57 N 3.82 -2.90 -3.54 -0.38 -0.04 -1.26 -4.98 135.00 125.72 2e7n n PRO 57 Ca 0.04 -1.54 -0.07 0.00 -0.04 0.00 0.00 63.50 61.90 2e7n n PRO 57 Cb 0.37 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 2e7n n PRO 57 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2e7n s MET 58 N -5.18 0.73 0.29 0.54 1.75 -1.26 -4.97 119.30 111.21 2e7n s MET 58 Ca 0.62 -0.29 -0.15 0.00 -1.25 0.00 0.00 55.69 54.62 2e7n s MET 58 Cb -0.06 0.33 0.02 0.00 2.84 0.00 0.00 34.83 37.95 2e7n s MET 58 CO 0.48 -0.32 0.63 0.16 -0.65 0.00 0.00 175.02 175.31 2e7n s ASP 59 N -2.47 -0.04 0.04 1.11 1.47 -1.26 -4.83 116.67 110.69 2e7n s ASP 59 Ca 0.07 -0.90 -0.21 0.00 1.18 0.00 0.00 52.55 52.68 2e7n s ASP 59 Cb -0.01 0.70 -0.14 0.00 -0.34 0.00 0.00 42.92 43.13 2e7n s ASP 59 CO -0.07 -1.34 1.40 -0.07 0.68 0.00 0.00 175.17 175.77 2e7n h LEU 60 N 2.10 0.27 -1.32 2.11 3.38 -1.85 -2.90 115.31 117.10 2e7n h LEU 60 Ca -0.25 -0.40 0.30 0.00 0.09 0.00 0.00 57.88 57.62 2e7n h LEU 60 Cb 1.25 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2e7n h LEU 60 CO 0.32 0.61 0.69 0.28 0.09 0.00 0.00 178.44 180.43 2e7n h SER 61 N -0.07 0.43 0.04 -0.43 0.02 -1.79 0.11 113.55 111.86 2e7n h SER 61 Ca 0.03 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2e7n h SER 61 Cb 0.51 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2e7n h SER 61 CO 0.02 0.02 -0.02 0.74 -1.14 0.00 0.00 176.83 176.45 2e7n h THR 62 N 0.35 1.32 0.16 -2.27 2.02 -1.92 -2.72 112.91 109.85 2e7n h THR 62 Ca 0.65 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.63 2e7n h THR 62 Cb 1.69 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 70.18 2e7n h THR 62 CO -0.35 0.31 -0.41 0.58 0.37 0.00 0.00 175.52 176.02 2e7n h VAL 63 N -0.59 0.18 -0.57 3.16 2.07 -0.84 -0.28 116.25 119.38 2e7n h VAL 63 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2e7n h VAL 63 Cb 0.54 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 2e7n h VAL 63 CO 0.01 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.10 2e7n h LYS 64 N -0.67 0.12 -0.93 1.57 3.64 -1.29 0.27 116.57 119.29 2e7n h LYS 64 Ca 0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2e7n h LYS 64 Cb 0.68 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 2e7n h LYS 64 CO -0.21 0.08 0.60 0.00 -2.27 0.00 0.00 179.45 177.64 2e7n h ARG 65 N 0.12 1.10 0.55 1.90 2.47 -1.09 0.13 114.38 119.56 2e7n h ARG 65 Ca 0.29 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 2e7n h ARG 65 Cb 0.46 -0.25 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2e7n h ARG 65 CO -0.48 0.72 -0.27 0.87 0.56 0.00 0.00 179.97 181.38 2e7n h LYS 66 N 1.13 -0.72 -0.75 0.04 1.57 0.78 -0.80 116.57 117.83 2e7n h LYS 66 Ca 0.39 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.36 2e7n h LYS 66 Cb 0.08 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.45 2e7n h LYS 66 CO -0.14 -0.47 0.28 1.98 -0.57 0.00 0.00 179.45 180.52 2e7n h MET 67 N -1.19 0.40 -0.15 3.15 4.05 -0.48 0.16 114.93 120.86 2e7n h MET 67 Ca -0.08 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.24 2e7n h MET 67 Cb 0.58 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2e7n h MET 67 CO 0.12 0.26 -0.27 0.22 0.23 0.00 0.00 176.91 177.47 2e7n h ASP 68 N 0.41 0.28 -0.60 1.39 3.58 -0.78 -2.79 116.42 117.90 2e7n h ASP 68 Ca 0.41 -0.09 -0.34 0.00 0.42 0.00 0.00 57.03 57.43 2e7n h ASP 68 Cb 0.64 -0.07 -0.18 0.00 1.72 0.00 0.00 39.33 41.43 2e7n h ASP 68 CO -0.42 0.55 0.44 0.61 -2.88 0.00 0.00 179.24 177.54 2e7n n GLY 69 N -0.49 3.83 3.74 -0.78 0.00 0.45 -4.88 105.19 107.06 2e7n n GLY 69 Ca -0.01 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.33 -0.92 -0.04 1.61 5.12 -1.01 -4.77 116.66 116.32 2e7n n ARG 70 Ca 0.37 0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 56.25 2e7n n ARG 70 Cb 1.02 -2.71 -0.14 0.00 -1.16 0.00 0.00 32.46 29.47 2e7n n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2e7n n GLU 71 N -3.37 0.67 -2.23 5.56 1.02 -0.60 -4.80 120.64 116.88 2e7n n GLU 71 Ca -0.15 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2e7n n GLU 71 Cb 0.44 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2e7n n GLU 71 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2e7n s TYR 72 N -2.57 2.57 0.16 -0.32 2.02 -1.26 -4.92 117.35 113.04 2e7n s TYR 72 Ca -0.10 0.69 -0.09 0.00 -0.37 0.00 0.00 57.07 57.20 2e7n s TYR 72 Cb 0.07 -3.68 0.02 0.00 -0.40 0.00 0.00 41.96 37.97 2e7n s TYR 72 CO 0.81 -2.62 1.50 -1.00 -1.57 0.00 0.00 175.55 172.67 2e7n h PRO 73 N 8.50 0.86 -3.05 -1.71 0.13 -1.92 -3.46 132.00 131.36 2e7n h PRO 73 Ca -0.34 -0.45 0.01 0.00 -0.87 0.00 0.00 66.00 64.35 2e7n h PRO 73 Cb 1.15 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2e7n h PRO 73 CO 0.94 1.09 0.19 0.16 -0.23 0.00 0.00 178.00 180.15 2e7n s ASP 74 N -6.84 -0.41 0.32 1.44 1.47 -1.26 -4.83 116.67 106.57 2e7n s ASP 74 Ca -0.10 -0.30 0.16 0.00 1.18 0.00 0.00 52.55 53.48 2e7n s ASP 74 Cb 0.11 0.65 1.12 0.00 -0.34 0.00 0.00 42.92 44.46 2e7n s ASP 74 CO 0.87 -1.13 1.42 0.00 0.68 0.00 0.00 175.17 177.01 2e7n n ALA 75 N -0.40 0.84 -0.22 2.11 0.00 -1.26 0.16 120.51 121.73 2e7n n ALA 75 Ca -0.11 0.93 -0.00 0.00 0.00 0.00 0.00 53.44 54.26 2e7n n ALA 75 Cb 0.62 -0.88 0.11 0.00 0.00 0.00 0.00 19.45 19.31 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 0.51 -0.27 0.00 1.08 -1.97 -0.86 115.11 113.60 2e7n h GLN 76 Ca 0.72 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.90 2e7n h GLN 76 Cb 1.86 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 29.15 2e7n h GLN 76 CO -0.72 0.34 0.17 0.78 -0.95 0.00 0.00 178.83 178.44 2e7n h GLY 77 N 0.53 0.38 0.96 3.46 0.00 0.11 0.18 103.07 108.69 2e7n h GLY 77 Ca 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2e7n h GLY 77 CO -0.26 0.12 -0.41 -2.75 0.00 0.00 0.00 176.54 173.24 2e7n h PHE 78 N 0.34 -1.07 -0.75 5.60 3.57 -1.25 -3.02 116.94 120.37 2e7n h PHE 78 Ca 0.11 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.67 2e7n h PHE 78 Cb -0.02 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 2e7n h PHE 78 CO -0.07 -0.66 0.39 0.00 -2.23 0.00 0.00 178.31 175.75 2e7n h ALA 79 N -1.10 1.05 -0.82 2.41 0.00 -1.16 -1.99 119.26 117.64 2e7n h ALA 79 Ca -0.12 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.03 2e7n h ALA 79 Cb 0.89 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 2e7n h ALA 79 CO 0.19 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.47 2e7n h ALA 80 N 1.44 0.89 0.56 0.00 0.00 -0.53 0.17 119.26 121.79 2e7n h ALA 80 Ca 0.37 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 2e7n h ALA 80 Cb 0.36 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2e7n h ALA 80 CO -0.26 -0.45 -0.27 -0.44 0.00 0.00 0.00 179.25 177.83 2e7n h ASP 81 N 0.09 -0.64 -0.93 0.00 5.19 -1.24 -1.55 116.42 117.34 2e7n h ASP 81 Ca 0.46 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 57.07 2e7n h ASP 81 Cb 0.85 0.16 -0.17 0.00 0.18 0.00 0.00 39.33 40.36 2e7n h ASP 81 CO -0.72 -0.38 -0.28 0.58 -3.12 0.00 0.00 179.24 175.31 2e7n h VAL 82 N -0.91 0.05 -0.13 -1.35 2.07 -1.20 0.31 116.25 115.09 2e7n h VAL 82 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2e7n h VAL 82 Cb 0.58 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2e7n h VAL 82 CO 0.13 0.00 0.06 0.03 0.02 0.00 0.00 177.57 177.81 2e7n h ARG 83 N -0.01 0.13 -0.08 1.57 3.08 -1.00 -1.68 114.38 116.39 2e7n h ARG 83 Ca 0.41 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.47 2e7n h ARG 83 Cb 0.65 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2e7n h ARG 83 CO -0.95 0.09 0.07 1.25 -1.07 0.00 0.00 179.97 179.35 2e7n h LEU 84 N 0.14 0.00 -0.14 3.04 5.85 0.52 -1.08 115.31 123.64 2e7n h LEU 84 Ca 0.05 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2e7n h LEU 84 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2e7n h LEU 84 CO -0.04 0.00 -0.18 -0.03 -0.34 0.00 0.00 178.44 177.85 2e7n h MET 85 N 0.00 0.37 -0.04 1.25 4.05 0.21 -2.97 114.93 117.79 2e7n h MET 85 Ca 0.04 -0.21 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 2e7n h MET 85 Cb 0.17 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2e7n h MET 85 CO -0.00 0.78 -0.39 0.74 0.23 0.00 0.00 176.91 178.26 2e7n h PHE 86 N -0.01 0.10 0.49 1.39 0.04 -0.81 -3.07 116.94 115.07 2e7n h PHE 86 Ca 0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2e7n h PHE 86 Cb 0.73 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2e7n h PHE 86 CO 0.09 0.48 -0.23 1.03 -0.60 0.00 0.00 178.31 179.07 2e7n h SER 87 N 0.08 -0.56 -0.73 2.17 0.87 -1.18 -3.13 113.55 111.08 2e7n h SER 87 Ca 0.01 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.74 2e7n h SER 87 Cb 0.74 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 2e7n h SER 87 CO 0.05 -0.39 -0.10 0.78 -0.53 0.00 0.00 176.83 176.64 2e7n h ASN 88 N -0.66 -0.52 -0.03 6.23 2.35 -1.58 0.14 115.58 121.51 2e7n h ASN 88 Ca -0.07 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2e7n h ASN 88 Cb 0.50 0.40 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 2e7n h ASN 88 CO 0.11 -0.21 -0.02 0.00 -1.65 0.00 0.00 177.43 175.66 2e7n h TYR 90 N 0.00 0.96 -1.06 0.00 0.05 -1.45 -1.51 116.97 113.97 2e7n h TYR 90 Ca 0.00 -0.24 0.32 0.00 0.05 0.00 0.00 58.73 58.86 2e7n h TYR 90 Cb 0.01 -0.22 -0.13 0.00 1.01 0.00 0.00 36.73 37.40 2e7n h TYR 90 CO -0.74 1.01 0.63 -0.22 -1.05 0.00 0.00 178.16 177.80 2e7n h LYS 91 N 0.71 0.33 0.00 4.88 3.11 0.15 -3.22 116.57 122.53 2e7n h LYS 91 Ca 0.09 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2e7n h LYS 91 Cb 0.82 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 2e7n h LYS 91 CO 0.07 0.22 0.00 0.98 -2.81 0.00 0.00 179.45 177.91 2e7n n TYR 92 N -4.89 0.00 -1.66 1.91 4.19 0.37 -4.96 117.16 112.12 2e7n n TYR 92 Ca 0.31 0.00 -0.44 0.00 3.31 0.00 0.00 57.90 61.08 2e7n n TYR 92 Cb 0.99 -0.12 -0.02 0.00 0.49 0.00 0.00 39.34 40.69 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2e7n n ASN 93 N -2.36 2.29 -4.69 2.98 3.02 -0.58 -4.96 115.26 110.96 2e7n n ASN 93 Ca 0.00 1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 55.44 2e7n n ASN 93 Cb 0.00 -1.40 0.17 0.00 -0.61 0.00 0.00 39.78 37.93 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 -1.38 0.65 0.00 3.52 0.04 -1.26 -4.57 135.00 131.99 2e7n s PRO 94 Ca 0.60 0.60 0.14 0.00 0.04 0.00 0.00 61.00 62.38 2e7n s PRO 94 Cb -0.64 -1.76 0.81 0.00 0.04 0.00 0.00 34.50 32.96 2e7n s PRO 94 CO 0.58 -2.60 1.23 -0.35 0.04 0.00 0.00 177.00 175.90 2e7n n PRO 95 N -4.10 0.49 -0.11 0.56 -0.04 -1.26 -2.37 135.00 128.17 2e7n n PRO 95 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2e7n n PRO 95 Cb 0.57 -1.44 -0.14 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 -0.94 0.66 -4.56 3.54 8.00 -1.26 -4.98 116.55 117.01 2e7n n ASP 96 Ca 0.10 -0.04 -0.55 0.00 0.71 0.00 0.00 54.79 55.02 2e7n n ASP 96 Cb 0.05 0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.69 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2e7n n HIS 97 N -2.87 1.23 -0.09 1.24 -0.00 -1.00 -4.85 115.22 108.88 2e7n n HIS 97 Ca -0.35 0.79 -0.05 0.00 0.46 0.00 0.00 57.72 58.56 2e7n n HIS 97 Cb 1.10 -2.25 0.14 0.00 -0.12 0.00 0.00 29.99 28.85 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 4.09 0.77 -0.80 1.57 4.11 -1.93 -2.69 114.58 119.69 2e7n h GLU 98 Ca -0.49 -0.24 0.22 0.00 0.07 0.00 0.00 59.36 58.92 2e7n h GLU 98 Cb 1.37 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2e7n h GLU 98 CO 0.74 0.84 0.57 -0.24 0.07 0.00 0.00 179.01 180.98 2e7n h VAL 99 N 0.70 0.63 0.04 -1.06 3.04 -1.97 -1.22 116.25 116.41 2e7n h VAL 99 Ca 0.12 -0.03 0.01 0.00 -1.01 0.00 0.00 66.70 65.79 2e7n h VAL 99 Cb 0.56 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2e7n h VAL 99 CO 0.03 0.02 -0.09 0.58 -1.01 0.00 0.00 177.57 177.11 2e7n h VAL 100 N 0.10 0.79 -0.47 1.51 2.07 -1.82 -1.14 116.25 117.29 2e7n h VAL 100 Ca 0.39 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.03 2e7n h VAL 100 Cb 1.39 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2e7n h VAL 100 CO -0.04 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.88 2e7n h ALA 101 N 0.78 2.30 -0.10 1.67 0.00 -1.36 -0.80 119.26 121.74 2e7n h ALA 101 Ca 0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2e7n h ALA 101 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2e7n h ALA 101 CO -0.06 -0.42 -0.85 0.52 0.00 0.00 0.00 179.25 178.44 2e7n h MET 102 N 0.11 0.70 -0.49 0.00 2.86 -1.26 -3.17 114.93 113.68 2e7n h MET 102 Ca 0.22 -0.62 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 2e7n h MET 102 Cb 0.74 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2e7n h MET 102 CO -0.02 1.23 0.28 0.00 1.06 0.00 0.00 176.91 179.45 2e7n h ALA 103 N 0.58 1.57 0.62 6.32 0.00 0.04 -3.00 119.26 125.38 2e7n h ALA 103 Ca -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2e7n h ALA 103 Cb 1.48 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2e7n h ALA 103 CO 0.17 0.37 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 2e7n h ARG 104 N 0.67 -0.80 -0.83 0.00 3.08 -1.44 -1.46 114.38 113.60 2e7n h ARG 104 Ca 0.18 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.43 2e7n h ARG 104 Cb -0.00 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.08 2e7n h ARG 104 CO -0.03 -0.49 -0.25 1.63 -1.07 0.00 0.00 179.97 179.76 2e7n n LYS 105 N -5.39 -0.12 -0.08 0.04 5.02 -1.14 0.17 118.16 116.67 2e7n n LYS 105 Ca -0.12 1.29 -0.10 0.00 -2.02 0.00 0.00 58.31 57.36 2e7n n LYS 105 Cb 0.36 -1.92 0.05 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.82 -2.21 -0.35 5.85 -1.55 -2.78 115.31 115.08 2e7n h LEU 106 Ca 0.36 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2e7n h LEU 106 Cb 0.56 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2e7n h LEU 106 CO -0.84 1.08 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.69 2e7n h GLN 107 N 0.65 0.00 0.44 1.25 4.15 0.28 -1.73 115.11 120.15 2e7n h GLN 107 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2e7n h GLN 107 Cb 0.89 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2e7n h GLN 107 CO 0.08 0.04 -0.21 0.22 -1.93 0.00 0.00 178.83 177.03 2e7n h ASP 108 N 0.00 -0.50 -0.77 -0.69 1.82 -0.39 -1.25 116.42 114.64 2e7n h ASP 108 Ca -0.00 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 56.77 2e7n h ASP 108 Cb 0.10 0.13 -0.05 0.00 0.68 0.00 0.00 39.33 40.19 2e7n h ASP 108 CO 0.01 -0.15 0.51 1.62 -1.61 0.00 0.00 179.24 179.61 2e7n h VAL 109 N -1.00 0.90 -0.33 2.25 3.04 -1.51 -1.41 116.25 118.18 2e7n h VAL 109 Ca -0.06 -0.21 -0.09 0.00 -1.01 0.00 0.00 66.70 65.33 2e7n h VAL 109 Cb 0.45 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 2e7n h VAL 109 CO 0.10 0.11 -0.13 0.15 -1.01 0.00 0.00 177.57 176.79 2e7n h PHE 110 N 0.62 0.77 0.49 3.17 3.57 -1.36 -1.91 116.94 122.29 2e7n h PHE 110 Ca 0.37 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2e7n h PHE 110 Cb 0.57 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2e7n h PHE 110 CO -0.00 0.87 -0.32 0.93 -2.23 0.00 0.00 178.31 177.55 2e7n h GLU 111 N 0.44 -0.75 -0.86 1.11 4.39 -0.16 -0.53 114.58 118.22 2e7n h GLU 111 Ca 0.08 0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2e7n h GLU 111 Cb 0.65 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.41 2e7n h GLU 111 CO 0.04 -0.50 0.56 0.00 -1.16 0.00 0.00 179.01 177.95 2e7n h MET 112 N -0.78 0.92 0.22 2.33 -0.00 -1.44 -2.33 114.93 113.85 2e7n h MET 112 Ca -0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 2e7n h MET 112 Cb 0.65 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2e7n h MET 112 CO 0.04 0.61 -0.10 0.00 -0.00 0.00 0.00 176.91 177.46 2e7n h ARG 113 N 0.95 -0.28 -0.56 -0.10 2.47 -0.94 0.40 114.38 116.31 2e7n h ARG 113 Ca 0.37 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 59.21 2e7n h ARG 113 Cb 0.23 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.53 2e7n h ARG 113 CO -0.14 -0.12 0.13 0.35 0.56 0.00 0.00 179.97 180.75 2e7n h PHE 114 N -0.38 0.21 -0.29 3.04 3.57 -0.68 -1.91 116.94 120.51 2e7n h PHE 114 Ca -0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2e7n h PHE 114 Cb 0.29 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2e7n h PHE 114 CO -0.04 -0.01 0.07 0.00 -2.23 0.00 0.00 178.31 176.11 2e7n h ALA 115 N 1.44 0.38 -0.82 2.41 0.00 -1.29 -3.00 119.26 118.38 2e7n h ALA 115 Ca 0.29 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.24 2e7n h ALA 115 Cb 0.41 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 2e7n h ALA 115 CO -0.36 0.03 0.14 0.87 0.00 0.00 0.00 179.25 179.93 2e7n h LYS 116 N 0.30 0.17 0.00 0.00 1.79 -0.13 -3.52 116.57 115.18 2e7n h LYS 116 Ca 0.09 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2e7n h LYS 116 Cb 0.28 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2e7n h LYS 116 CO 0.00 0.11 0.00 -0.12 -1.08 0.00 0.00 179.45 178.36