#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 -0.75 0.65 1.61 0.15 -1.26 -5.17 113.70 108.94 2e7n s SER 2 Ca 0.00 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.73 2e7n s SER 2 Cb 0.00 1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.63 2e7n s SER 2 CO 0.00 -0.19 1.04 -0.44 1.20 0.00 0.00 173.24 174.86 2e7n s SER 3 N 1.55 5.80 0.00 5.45 0.01 -1.26 -5.06 113.70 120.20 2e7n s SER 3 Ca -0.09 1.54 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2e7n s SER 3 Cb -0.05 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2e7n s SER 3 CO -0.18 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2e7n n GLY 4 N -2.25 2.95 3.99 3.44 0.00 -1.26 -5.17 105.19 106.88 2e7n n GLY 4 Ca 0.07 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2e7n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7n s SER 5 N 0.00 5.60 0.01 1.61 0.01 -1.26 -5.11 113.70 114.56 2e7n s SER 5 Ca 0.00 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 2e7n s SER 5 Cb 0.00 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 2e7n s SER 5 CO 0.00 -0.83 0.10 -0.44 0.41 0.00 0.00 173.24 172.48 2e7n s SER 6 N -4.33 5.81 0.00 2.44 0.01 -1.26 -4.94 113.70 111.43 2e7n s SER 6 Ca 0.53 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2e7n s SER 6 Cb -0.10 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2e7n s SER 6 CO 0.35 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2e7n n GLY 7 N 1.02 -2.20 0.00 3.44 0.00 -1.26 -5.12 105.19 101.07 2e7n n GLY 7 Ca -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.64 3.08 3.03 -0.02 0.00 -1.26 -4.96 105.19 103.42 2e7n n GLY 8 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2e7n n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2e7n n LYS 9 N 0.00 -0.00 -1.36 1.61 0.00 -1.26 -4.71 118.16 112.44 2e7n n LYS 9 Ca 0.00 -0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.86 2e7n n LYS 9 Cb 0.00 -1.00 -0.01 0.00 -0.00 0.00 0.00 35.03 34.01 2e7n n LYS 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2e7n n LEU 10 N 3.36 -1.88 -4.84 -5.58 4.77 -1.26 -4.97 117.00 106.60 2e7n n LEU 10 Ca -0.01 0.96 -0.22 0.00 -0.03 0.00 0.00 56.01 56.72 2e7n n LEU 10 Cb 0.55 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2e7n n LEU 10 CO 0.53 -3.53 -0.05 -0.94 -1.33 0.00 0.00 177.39 172.08 2e7n s SER 11 N -0.99 4.88 0.45 -1.43 1.04 -1.26 -4.85 113.70 111.54 2e7n s SER 11 Ca 0.62 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 56.37 2e7n s SER 11 Cb -0.76 -0.55 1.08 0.00 0.10 0.00 0.00 66.02 65.88 2e7n s SER 11 CO 0.59 -0.62 1.99 -0.08 0.98 0.00 0.00 173.24 176.10 2e7n h GLU 12 N 1.14 0.34 0.12 4.02 4.81 -1.99 0.30 114.58 123.32 2e7n h GLU 12 Ca -0.42 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.53 2e7n h GLU 12 Cb 1.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2e7n h GLU 12 CO 0.61 0.22 -1.30 0.45 -0.73 0.00 0.00 179.01 178.27 2e7n h HIS 13 N 0.35 0.47 0.70 0.92 3.86 -2.00 -3.36 115.15 116.09 2e7n h HIS 13 Ca 0.27 -0.35 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 2e7n h HIS 13 Cb 0.58 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.04 2e7n h HIS 13 CO -0.00 1.51 -0.34 1.25 0.86 0.00 0.00 177.93 181.21 2e7n h LEU 14 N -0.31 -0.80 -1.87 2.43 5.85 -1.82 -2.23 115.31 116.57 2e7n h LEU 14 Ca -0.27 0.00 0.54 0.00 0.84 0.00 0.00 57.88 58.99 2e7n h LEU 14 Cb 1.75 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.91 2e7n h LEU 14 CO 0.08 -0.50 1.35 -2.11 -0.34 0.00 0.00 178.44 176.92 2e7n n ARG 15 N -5.46 -0.00 0.08 1.25 1.85 1.00 0.20 116.66 115.58 2e7n n ARG 15 Ca -0.13 1.03 -0.23 0.00 -1.00 0.00 0.00 57.85 57.51 2e7n n ARG 15 Cb 0.39 -2.37 -0.15 0.00 -1.05 0.00 0.00 32.46 29.28 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 0.73 0.00 2.89 5.03 -1.61 -3.30 116.97 120.70 2e7n h TYR 16 Ca 0.89 -0.53 -0.00 0.00 2.58 0.00 0.00 58.73 61.67 2e7n h TYR 16 Cb 3.58 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 41.83 2e7n h TYR 16 CO -0.00 1.61 -0.01 0.00 -1.32 0.00 0.00 178.16 178.44 2e7n h ASP 18 N 0.00 0.00 1.32 0.00 1.82 -1.31 -2.83 116.42 115.43 2e7n h ASP 18 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2e7n h ASP 18 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 2e7n h ASP 18 CO 0.00 0.25 -0.70 0.77 -1.61 0.00 0.00 179.24 177.95 2e7n h SER 19 N 0.00 0.00 0.22 2.28 4.64 -1.24 -3.27 113.55 116.18 2e7n h SER 19 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2e7n h SER 19 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2e7n h SER 19 CO 0.03 0.46 -0.20 0.40 -0.87 0.00 0.00 176.83 176.65 2e7n h ILE 20 N 0.00 1.09 0.15 0.95 2.04 -1.46 -2.59 117.51 117.69 2e7n h ILE 20 Ca -0.04 -0.70 -0.30 0.00 1.00 0.00 0.00 64.86 64.82 2e7n h ILE 20 Cb 1.38 1.38 0.03 0.00 -0.74 0.00 0.00 36.82 38.88 2e7n h ILE 20 CO 0.05 0.20 -1.27 0.25 0.00 0.00 0.00 178.15 177.38 2e7n h LEU 21 N 0.00 0.86 -2.05 1.44 5.85 -1.63 -2.78 115.31 116.99 2e7n h LEU 21 Ca -0.00 -0.85 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 2e7n h LEU 21 Cb 0.36 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2e7n h LEU 21 CO 0.03 1.62 -0.04 0.08 -0.34 0.00 0.00 178.44 179.79 2e7n h ARG 22 N 0.21 0.00 0.02 1.25 -0.00 -1.56 -1.79 114.38 112.51 2e7n h ARG 22 Ca -0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.75 2e7n h ARG 22 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.93 2e7n h ARG 22 CO 0.24 0.04 -0.12 1.49 -0.00 0.00 0.00 179.97 181.63 2e7n h GLU 23 N 0.00 0.04 0.00 0.08 4.57 -1.50 -3.28 114.58 114.50 2e7n h GLU 23 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2e7n h GLU 23 Cb 0.08 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2e7n h GLU 23 CO 0.01 1.03 0.01 0.52 -1.18 0.00 0.00 179.01 179.40 2e7n h MET 24 N -0.92 0.00 -1.02 1.92 2.86 -1.23 -1.08 114.93 115.47 2e7n h MET 24 Ca -0.02 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.06 2e7n h MET 24 Cb 1.09 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.46 2e7n h MET 24 CO 0.02 0.00 0.72 1.28 1.06 0.00 0.00 176.91 179.99 2e7n n LEU 25 N -2.96 7.01 -4.67 1.22 4.77 -0.70 -4.51 117.00 117.16 2e7n n LEU 25 Ca -0.03 -3.80 -0.35 0.00 -0.03 0.00 0.00 56.01 51.80 2e7n n LEU 25 Cb 0.07 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 2e7n n LEU 25 CO 0.18 1.20 -0.25 -0.55 -1.33 0.00 0.00 177.39 176.64 2e7n s SER 26 N -1.39 5.65 0.55 -1.43 0.15 -0.41 -4.95 113.70 111.87 2e7n s SER 26 Ca 0.58 0.13 0.41 0.00 0.70 0.00 0.00 55.95 57.77 2e7n s SER 26 Cb 0.47 -1.90 1.42 0.00 -1.71 0.00 0.00 66.02 64.30 2e7n s SER 26 CO 0.06 0.23 1.42 1.17 1.20 0.00 0.00 173.24 177.32 2e7n n LYS 27 N 3.14 0.00 0.36 5.44 4.81 -1.26 0.25 118.16 130.90 2e7n n LYS 27 Ca -0.17 1.02 -0.18 0.00 -0.87 0.00 0.00 58.31 58.11 2e7n n LYS 27 Cb 0.53 -2.41 -0.09 0.00 0.02 0.00 0.00 35.03 33.08 2e7n n LYS 27 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2e7n h LYS 28 N 0.00 -0.91 0.00 1.64 1.63 -1.92 -3.01 116.57 114.00 2e7n h LYS 28 Ca 0.77 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.62 2e7n h LYS 28 Cb 3.38 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 35.22 2e7n h LYS 28 CO -0.01 -0.61 -0.29 0.45 -3.45 0.00 0.00 179.45 175.55 2e7n h HIS 29 N -0.94 0.00 -0.95 1.91 3.86 -0.51 -3.33 115.15 115.19 2e7n h HIS 29 Ca -0.08 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.41 2e7n h HIS 29 Cb 0.75 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.07 2e7n h HIS 29 CO -0.07 0.07 0.40 0.00 0.86 0.00 0.00 177.93 179.19 2e7n h ALA 30 N 1.93 1.64 -1.00 2.45 0.00 -0.54 0.57 119.26 124.31 2e7n h ALA 30 Ca -0.01 0.22 0.37 0.00 0.00 0.00 0.00 54.91 55.49 2e7n h ALA 30 Cb 1.06 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2e7n h ALA 30 CO 0.01 -0.54 0.52 0.00 0.00 0.00 0.00 179.25 179.24 2e7n h ALA 31 N 1.83 2.03 0.00 0.00 0.00 -1.67 0.91 119.26 122.36 2e7n h ALA 31 Ca 0.66 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.81 2e7n h ALA 31 Cb 1.44 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2e7n h ALA 31 CO -0.65 -0.79 -0.00 2.48 0.00 0.00 0.00 179.25 180.28 2e7n n TYR 32 N -5.20 0.00 -0.06 0.00 0.18 0.85 -4.59 117.16 108.35 2e7n n TYR 32 Ca 0.35 -0.50 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2e7n n TYR 32 Cb 1.14 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 40.05 2e7n n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2e7n n ALA 33 N -0.53 2.32 0.11 -3.48 0.00 0.16 -3.82 120.51 115.27 2e7n n ALA 33 Ca 0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 2e7n n ALA 33 Cb 0.29 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 0.08 -0.61 0.00 5.08 0.46 -3.13 115.95 117.82 2e7n h TRP 34 Ca 0.00 -0.04 0.18 0.00 1.08 0.00 0.00 58.89 60.11 2e7n h TRP 34 Cb 0.03 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.15 2e7n h TRP 34 CO 0.00 0.75 0.74 -1.35 -1.28 0.00 0.00 178.44 177.30 2e7n h PRO 35 N 0.04 0.00 -0.89 0.12 0.11 -1.83 0.53 132.00 130.08 2e7n h PRO 35 Ca -0.01 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.49 2e7n h PRO 35 Cb 1.26 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 32.00 2e7n h PRO 35 CO 0.10 0.00 -0.14 1.19 -0.21 0.00 0.00 178.00 178.93 2e7n n PHE 36 N -3.47 2.96 -0.09 0.65 3.72 -1.18 -4.56 117.46 115.49 2e7n n PHE 36 Ca 0.13 -2.56 -0.11 0.00 -0.05 0.00 0.00 57.45 54.86 2e7n n PHE 36 Cb 0.95 -0.77 -0.11 0.00 -0.94 0.00 0.00 39.48 38.62 2e7n n PHE 36 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2e7n n TYR 37 N -0.78 0.00 -4.17 1.38 4.02 0.18 -3.72 117.16 114.08 2e7n n TYR 37 Ca 0.51 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 58.13 2e7n n TYR 37 Cb 0.83 -0.76 -0.07 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.39 2.54 0.42 -0.72 3.01 -1.26 -4.66 119.74 116.69 2e7n s LYS 38 Ca -0.18 -1.02 -0.24 0.00 -1.01 0.00 0.00 55.97 53.51 2e7n s LYS 38 Cb 0.06 -2.45 -0.08 0.00 -1.01 0.00 0.00 37.83 34.35 2e7n s LYS 38 CO 0.54 0.47 1.18 -1.25 0.51 0.00 0.00 175.35 176.79 2e7n s PRO 39 N -2.92 3.93 -0.49 -1.68 0.04 -1.26 -4.98 135.00 127.64 2e7n s PRO 39 Ca 0.28 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 2e7n s PRO 39 Cb -0.10 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.90 2e7n s PRO 39 CO 0.20 -0.43 1.00 0.08 0.04 0.00 0.00 177.00 177.89 2e7n s VAL 40 N -1.45 4.35 -1.07 -0.36 1.01 -1.26 -4.97 120.40 116.65 2e7n s VAL 40 Ca 0.60 0.81 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 2e7n s VAL 40 Cb -0.30 -4.52 0.27 0.00 0.00 0.00 0.00 36.38 31.83 2e7n s VAL 40 CO 0.38 -0.96 1.08 -0.67 0.00 0.00 0.00 175.10 174.92 2e7n n ASP 41 N 7.49 5.32 -0.63 3.32 -0.08 -1.26 -4.88 116.55 125.82 2e7n n ASP 41 Ca 0.07 -3.09 0.48 0.00 -1.51 0.00 0.00 54.79 50.74 2e7n n ASP 41 Cb 0.49 -1.30 0.75 0.00 2.34 0.00 0.00 41.12 43.40 2e7n n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e7n n ALA 42 N 2.46 1.70 -0.02 -1.67 0.00 -1.26 0.34 120.51 122.07 2e7n n ALA 42 Ca 0.24 0.65 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 2e7n n ALA 42 Cb 0.38 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 2e7n n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2e7n h GLU 43 N 0.00 -0.08 0.21 0.00 5.08 -1.90 -3.36 114.58 114.54 2e7n h GLU 43 Ca 0.88 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 59.23 2e7n h GLU 43 Cb 3.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.68 2e7n h GLU 43 CO -0.08 0.38 -0.10 0.00 -1.00 0.00 0.00 179.01 178.21 2e7n h ALA 44 N -0.47 -0.29 -2.37 3.43 0.00 -0.52 -3.44 119.26 115.59 2e7n h ALA 44 Ca -0.01 -0.10 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 2e7n h ALA 44 Cb 0.50 0.11 0.13 0.00 0.00 0.00 0.00 17.79 18.53 2e7n h ALA 44 CO 0.01 -0.61 0.29 -0.51 0.00 0.00 0.00 179.25 178.43 2e7n s LEU 45 N -9.95 2.41 -0.70 0.00 1.43 0.13 -4.93 118.68 107.07 2e7n s LEU 45 Ca -0.15 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.30 2e7n s LEU 45 Cb 0.04 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.40 2e7n s LEU 45 CO 0.63 -2.33 2.77 -0.62 0.23 0.00 0.00 176.35 177.03 2e7n n GLU 46 N -3.68 3.04 -3.57 1.70 1.02 -1.26 -4.76 120.64 113.13 2e7n n GLU 46 Ca 0.07 -2.50 -0.41 0.00 -0.02 0.00 0.00 57.16 54.30 2e7n n GLU 46 Cb 0.56 -2.29 -0.08 0.00 -0.02 0.00 0.00 31.44 29.60 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2e7n s LEU 47 N -1.81 5.73 0.10 -4.62 1.43 -1.26 -4.98 118.68 113.27 2e7n s LEU 47 Ca 0.59 -2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 51.29 2e7n s LEU 47 Cb 0.31 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2e7n s LEU 47 CO -0.15 -0.61 1.07 1.41 0.23 0.00 0.00 176.35 178.30 2e7n n HIS 48 N 4.49 -0.27 -3.54 0.29 8.25 -1.26 -4.28 115.22 118.89 2e7n n HIS 48 Ca -0.02 0.77 -0.14 0.00 -0.26 0.00 0.00 57.72 58.08 2e7n n HIS 48 Cb 0.41 -0.53 -0.12 0.00 1.12 0.00 0.00 29.99 30.88 2e7n n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2e7n s ASP 49 N -4.97 0.61 0.00 0.41 1.11 -1.26 -5.05 116.67 107.51 2e7n s ASP 49 Ca -0.07 0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.94 2e7n s ASP 49 Cb 0.07 0.74 0.00 0.00 1.07 0.00 0.00 42.92 44.80 2e7n s ASP 49 CO 0.38 -0.28 0.00 0.00 1.18 0.00 0.00 175.17 176.45 2e7n n TYR 50 N 5.35 0.00 0.02 4.23 9.36 -1.26 -4.52 117.16 130.34 2e7n n TYR 50 Ca -0.06 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.38 2e7n n TYR 50 Cb 0.50 0.00 0.59 0.00 -0.63 0.00 0.00 39.34 39.80 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 0.00 -0.05 2.98 3.86 -1.95 0.30 115.15 120.28 2e7n h HIS 51 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2e7n h HIS 51 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2e7n h HIS 51 CO 0.00 0.00 -0.02 -0.44 0.86 0.00 0.00 177.93 178.33 2e7n h ASP 52 N 0.00 0.11 -0.01 2.45 3.32 -1.98 -3.31 116.42 117.00 2e7n h ASP 52 Ca 0.27 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2e7n h ASP 52 Cb 1.78 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.31 2e7n h ASP 52 CO -0.00 0.48 -0.37 0.40 -1.72 0.00 0.00 179.24 178.02 2e7n h ILE 53 N -0.26 1.50 -2.49 0.35 2.04 -0.74 -3.42 117.51 114.48 2e7n h ILE 53 Ca 0.01 -1.98 -0.54 0.00 1.00 0.00 0.00 64.86 63.36 2e7n h ILE 53 Cb 0.43 2.68 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 2e7n h ILE 53 CO 0.01 0.55 1.22 -0.63 0.00 0.00 0.00 178.15 179.30 2e7n s ILE 54 N -3.19 3.57 0.13 -0.67 -1.09 -0.09 -4.89 121.20 114.97 2e7n s ILE 54 Ca -0.15 0.47 -0.28 0.00 -2.23 0.00 0.00 60.65 58.46 2e7n s ILE 54 Cb 0.02 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 2e7n s ILE 54 CO 0.77 -0.93 1.60 0.11 -1.23 0.00 0.00 174.94 175.26 2e7n h LYS 55 N 12.77 -0.46 -3.50 2.79 1.79 -1.82 -3.37 116.57 124.77 2e7n h LYS 55 Ca -0.28 0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.62 2e7n h LYS 55 Cb 1.13 0.10 -0.40 0.00 -1.58 0.00 0.00 32.23 31.49 2e7n h LYS 55 CO 1.16 -0.31 -0.75 -3.38 -1.08 0.00 0.00 179.45 175.10 2e7n s HIS 56 N -5.96 2.03 0.23 -1.35 -3.43 -1.26 -5.06 115.29 100.48 2e7n s HIS 56 Ca -0.16 -2.10 -0.30 0.00 -0.80 0.00 0.00 55.06 51.71 2e7n s HIS 56 Cb 0.09 -1.91 -0.09 0.00 -1.43 0.00 0.00 32.58 29.25 2e7n s HIS 56 CO 0.65 -0.86 1.28 -1.25 -2.00 0.00 0.00 174.74 172.57 2e7n s PRO 57 N 1.13 4.41 0.15 -0.38 0.04 -1.26 -4.92 135.00 134.18 2e7n s PRO 57 Ca 0.12 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.31 2e7n s PRO 57 Cb -0.20 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2e7n s PRO 57 CO -0.15 -0.19 -0.21 1.41 0.04 0.00 0.00 177.00 177.90 2e7n s MET 58 N -0.50 1.66 -0.12 4.56 1.75 -1.26 -5.06 119.30 120.33 2e7n s MET 58 Ca 0.54 -1.33 -0.16 0.00 -1.25 0.00 0.00 55.69 53.49 2e7n s MET 58 Cb -0.36 -1.99 0.04 0.00 2.84 0.00 0.00 34.83 35.35 2e7n s MET 58 CO 0.41 0.44 0.42 -0.51 -0.65 0.00 0.00 175.02 175.12 2e7n s ASP 59 N -2.39 -0.40 0.12 1.11 1.11 -1.26 -4.86 116.67 110.10 2e7n s ASP 59 Ca 0.19 0.68 -0.22 0.00 0.18 0.00 0.00 52.55 53.38 2e7n s ASP 59 Cb -0.09 0.73 -0.05 0.00 1.07 0.00 0.00 42.92 44.57 2e7n s ASP 59 CO 0.10 -0.24 1.69 -0.07 1.18 0.00 0.00 175.17 177.82 2e7n h LEU 60 N 4.96 -0.31 -0.98 1.23 3.38 -1.92 -1.87 115.31 119.80 2e7n h LEU 60 Ca -0.28 0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.05 2e7n h LEU 60 Cb 1.18 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.94 2e7n h LEU 60 CO 0.28 -0.14 0.50 -1.28 0.09 0.00 0.00 178.44 177.90 2e7n h SER 61 N -0.12 0.43 -0.00 -0.43 0.87 -1.83 0.11 113.55 112.58 2e7n h SER 61 Ca 0.07 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2e7n h SER 61 Cb 0.23 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2e7n h SER 61 CO -0.18 -0.11 -0.00 0.74 -0.53 0.00 0.00 176.83 176.76 2e7n h THR 62 N 0.34 1.27 0.46 2.23 2.02 -1.77 -2.70 112.91 114.76 2e7n h THR 62 Ca 0.69 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2e7n h THR 62 Cb 1.50 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 2e7n h THR 62 CO -0.60 0.21 -0.50 0.58 0.37 0.00 0.00 175.52 175.58 2e7n h VAL 63 N -0.33 0.00 -0.84 3.16 2.07 -0.39 -2.37 116.25 117.55 2e7n h VAL 63 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2e7n h VAL 63 Cb 0.34 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 2e7n h VAL 63 CO 0.00 0.00 0.16 0.50 0.02 0.00 0.00 177.57 178.25 2e7n h LYS 64 N -0.97 0.18 -0.35 1.57 3.64 -1.22 0.12 116.57 119.54 2e7n h LYS 64 Ca -0.06 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2e7n h LYS 64 Cb 0.85 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 2e7n h LYS 64 CO -0.08 0.12 -0.10 0.00 -2.27 0.00 0.00 179.45 177.12 2e7n h ARG 65 N 0.18 -0.01 0.61 1.90 3.08 -1.09 0.38 114.38 119.43 2e7n h ARG 65 Ca 0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.53 2e7n h ARG 65 Cb 0.98 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.04 2e7n h ARG 65 CO -0.66 -0.01 -0.29 0.87 -1.07 0.00 0.00 179.97 178.81 2e7n h LYS 66 N -0.01 -0.79 -0.88 0.04 1.57 -0.38 -2.86 116.57 113.25 2e7n h LYS 66 Ca 0.17 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.17 2e7n h LYS 66 Cb 0.27 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 2e7n h LYS 66 CO -0.36 -0.49 0.58 1.98 -0.57 0.00 0.00 179.45 180.58 2e7n h MET 67 N -0.95 0.52 0.13 3.15 4.05 -0.92 0.20 114.93 121.12 2e7n h MET 67 Ca -0.08 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2e7n h MET 67 Cb 0.67 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 2e7n h MET 67 CO 0.14 0.35 -0.35 0.22 0.23 0.00 0.00 176.91 177.49 2e7n h ASP 68 N 0.54 -1.01 -0.49 1.39 1.82 -0.01 -1.77 116.42 116.88 2e7n h ASP 68 Ca 0.45 0.11 -0.27 0.00 -0.39 0.00 0.00 57.03 56.93 2e7n h ASP 68 Cb 0.94 0.38 -0.15 0.00 0.68 0.00 0.00 39.33 41.18 2e7n h ASP 68 CO -0.19 -0.44 0.35 0.61 -1.61 0.00 0.00 179.24 177.96 2e7n n GLY 69 N -1.44 3.45 4.25 -0.78 0.00 -0.77 -4.85 105.19 105.06 2e7n n GLY 69 Ca -0.07 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.16 -1.96 0.11 1.61 3.00 -0.66 -4.82 116.66 113.77 2e7n n ARG 70 Ca 0.30 0.24 -0.03 0.00 -0.01 0.00 0.00 57.85 58.35 2e7n n ARG 70 Cb 0.96 -4.37 0.05 0.00 0.00 0.00 0.00 32.46 29.10 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e7n h GLU 71 N -1.56 0.00 -6.37 5.56 5.08 -0.86 -3.44 114.58 112.99 2e7n h GLU 71 Ca -0.63 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.19 2e7n h GLU 71 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2e7n h GLU 71 CO 0.74 0.76 0.66 0.71 -1.00 0.00 0.00 179.01 180.87 2e7n s TYR 72 N -3.17 3.26 0.03 4.33 2.02 -1.26 -4.92 117.35 117.63 2e7n s TYR 72 Ca 0.00 1.23 -0.21 0.00 -0.37 0.00 0.00 57.07 57.72 2e7n s TYR 72 Cb 0.11 -3.43 -0.15 0.00 -0.40 0.00 0.00 41.96 38.09 2e7n s TYR 72 CO 0.78 -1.35 1.33 -1.00 -1.57 0.00 0.00 175.55 173.75 2e7n h PRO 73 N 7.26 0.29 -3.75 -1.71 0.13 -1.91 -3.47 132.00 128.84 2e7n h PRO 73 Ca -0.37 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2e7n h PRO 73 Cb 1.18 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2e7n h PRO 73 CO 0.86 0.69 -0.31 0.16 -0.23 0.00 0.00 178.00 179.17 2e7n s ASP 74 N -6.04 0.05 0.28 1.44 -4.77 -1.26 -4.85 116.67 101.51 2e7n s ASP 74 Ca -0.14 -0.63 -0.07 0.00 -3.30 0.00 0.00 52.55 48.40 2e7n s ASP 74 Cb 0.05 0.38 0.48 0.00 -1.09 0.00 0.00 42.92 42.74 2e7n s ASP 74 CO 0.74 -0.78 1.52 0.00 0.70 0.00 0.00 175.17 177.35 2e7n n ALA 75 N -0.11 0.26 -0.37 2.11 0.00 -1.26 -0.31 120.51 120.82 2e7n n ALA 75 Ca -0.14 1.07 -0.02 0.00 0.00 0.00 0.00 53.44 54.36 2e7n n ALA 75 Cb 0.63 -0.66 0.03 0.00 0.00 0.00 0.00 19.45 19.45 2e7n n ALA 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2e7n n GLN 76 N -5.58 -0.24 -0.20 0.00 1.13 -1.26 0.33 117.38 111.56 2e7n n GLN 76 Ca 0.16 1.47 -0.04 0.00 -1.94 0.00 0.00 57.00 56.65 2e7n n GLN 76 Cb 0.52 -2.17 0.06 0.00 0.11 0.00 0.00 30.24 28.75 2e7n n GLN 76 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2e7n h GLY 77 N 0.00 0.83 0.99 1.08 0.00 -1.08 0.19 103.07 105.08 2e7n h GLY 77 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2e7n h GLY 77 CO -0.94 0.20 -0.07 -2.75 0.00 0.00 0.00 176.54 172.98 2e7n h PHE 78 N 0.66 -0.17 -0.24 5.60 3.57 0.01 -2.57 116.94 123.80 2e7n h PHE 78 Ca 0.24 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2e7n h PHE 78 Cb 0.06 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2e7n h PHE 78 CO -0.07 -0.11 -0.08 0.00 -2.23 0.00 0.00 178.31 175.83 2e7n h ALA 79 N 0.69 1.41 0.02 2.41 0.00 -0.50 -3.07 119.26 120.22 2e7n h ALA 79 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2e7n h ALA 79 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2e7n h ALA 79 CO 0.02 0.41 -0.40 0.00 0.00 0.00 0.00 179.25 179.28 2e7n h ALA 80 N 1.56 -0.65 0.58 0.00 0.00 -0.21 0.50 119.26 121.04 2e7n h ALA 80 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2e7n h ALA 80 Cb 0.38 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2e7n h ALA 80 CO 0.02 -0.94 -0.46 0.38 0.00 0.00 0.00 179.25 178.25 2e7n h ASP 81 N -0.57 -1.22 -0.67 0.00 3.04 -1.45 0.59 116.42 116.14 2e7n h ASP 81 Ca 0.05 0.09 0.10 0.00 -3.24 0.00 0.00 57.03 54.02 2e7n h ASP 81 Cb 0.64 0.39 -0.11 0.00 -1.04 0.00 0.00 39.33 39.20 2e7n h ASP 81 CO -0.29 -0.65 -0.44 0.58 -2.04 0.00 0.00 179.24 176.40 2e7n h VAL 82 N -1.01 0.07 0.56 4.15 2.07 -1.44 -1.55 116.25 119.11 2e7n h VAL 82 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2e7n h VAL 82 Cb 0.84 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2e7n h VAL 82 CO 0.01 0.00 -0.48 0.03 0.02 0.00 0.00 177.57 177.15 2e7n h ARG 83 N -0.18 -0.99 -0.89 1.57 3.08 -0.77 -2.67 114.38 113.54 2e7n h ARG 83 Ca 0.20 0.07 0.20 0.00 0.07 0.00 0.00 59.98 60.52 2e7n h ARG 83 Cb 0.56 0.22 -0.17 0.00 0.08 0.00 0.00 29.97 30.66 2e7n h ARG 83 CO -0.75 -0.66 -0.16 -0.11 -1.07 0.00 0.00 179.97 177.23 2e7n n LEU 84 N -5.57 -0.27 -0.28 3.04 7.94 0.19 0.12 117.00 122.17 2e7n n LEU 84 Ca -0.12 1.53 0.09 0.00 -1.11 0.00 0.00 56.01 56.40 2e7n n LEU 84 Cb 0.46 -0.49 0.22 0.00 0.53 0.00 0.00 43.42 44.15 2e7n n LEU 84 CO 0.29 -1.49 0.88 -0.03 -1.11 0.00 0.00 177.39 175.93 2e7n h MET 85 N 0.00 0.16 0.00 1.96 4.05 -0.94 1.23 114.93 121.39 2e7n h MET 85 Ca 0.46 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 2e7n h MET 85 Cb 0.77 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2e7n h MET 85 CO -0.90 0.10 0.00 0.74 0.23 0.00 0.00 176.91 177.08 2e7n h PHE 86 N 0.16 0.00 0.22 1.39 0.04 0.90 0.84 116.94 120.49 2e7n h PHE 86 Ca 0.48 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.93 2e7n h PHE 86 Cb 0.91 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.09 2e7n h PHE 86 CO -0.34 0.00 -1.45 0.77 -0.60 0.00 0.00 178.31 176.69 2e7n h SER 87 N 0.00 0.72 0.58 2.17 0.02 0.22 -3.32 113.55 113.94 2e7n h SER 87 Ca 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2e7n h SER 87 Cb 0.67 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2e7n h SER 87 CO 0.00 1.62 -0.92 -0.46 -1.14 0.00 0.00 176.83 175.94 2e7n n ASN 88 N -3.65 0.64 -0.19 3.07 0.23 0.61 -3.44 115.26 112.52 2e7n n ASN 88 Ca -0.15 -0.09 -0.07 0.00 -0.53 0.00 0.00 54.58 53.74 2e7n n ASN 88 Cb 1.08 0.60 0.03 0.00 -2.08 0.00 0.00 39.78 39.41 2e7n n ASN 88 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e7n h TYR 90 N 0.75 0.68 -1.56 0.00 0.05 -1.72 -3.02 116.97 112.14 2e7n h TYR 90 Ca 0.20 -0.49 0.49 0.00 0.05 0.00 0.00 58.73 58.97 2e7n h TYR 90 Cb 0.02 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 37.64 2e7n h TYR 90 CO -0.02 1.67 1.08 0.36 -1.05 0.00 0.00 178.16 180.21 2e7n n LYS 91 N -3.63 -0.01 0.00 4.88 -0.00 -1.20 -3.02 118.16 115.17 2e7n n LYS 91 Ca -0.25 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 2e7n n LYS 91 Cb 1.05 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.82 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 -4.09 0.00 -1.50 5.58 9.36 -1.21 -5.00 117.16 120.29 2e7n n TYR 92 Ca 0.39 0.00 -0.50 0.00 3.32 0.00 0.00 57.90 61.11 2e7n n TYR 92 Cb 1.66 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 40.33 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2e7n n ASN 93 N -1.97 0.16 -4.71 2.98 3.02 -1.14 -4.92 115.26 108.68 2e7n n ASN 93 Ca 0.00 1.15 -0.29 0.00 -0.03 0.00 0.00 54.58 55.40 2e7n n ASN 93 Cb 0.00 -1.08 0.15 0.00 -0.61 0.00 0.00 39.78 38.24 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 -0.73 1.04 0.00 3.52 0.04 -1.26 -4.65 135.00 132.96 2e7n s PRO 94 Ca 0.71 0.75 0.15 0.00 0.04 0.00 0.00 61.00 62.64 2e7n s PRO 94 Cb -0.93 -1.79 0.77 0.00 0.04 0.00 0.00 34.50 32.59 2e7n s PRO 94 CO 0.56 -2.37 1.40 -0.35 0.04 0.00 0.00 177.00 176.27 2e7n n PRO 95 N -3.96 0.24 -0.07 0.56 -0.04 -1.26 -2.28 135.00 128.19 2e7n n PRO 95 Ca 0.07 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2e7n n PRO 95 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.25 0.02 -4.52 3.54 8.00 -1.26 -4.90 116.55 116.18 2e7n n ASP 96 Ca 0.08 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 2e7n n ASP 96 Cb 0.11 1.34 -0.08 0.00 -0.02 0.00 0.00 41.12 42.47 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 -2.58 1.16 -0.35 1.24 -0.00 -0.96 -4.78 115.22 108.94 2e7n n HIS 97 Ca -0.23 0.23 0.09 0.00 0.46 0.00 0.00 57.72 58.27 2e7n n HIS 97 Cb 0.96 -2.53 0.19 0.00 -0.12 0.00 0.00 29.99 28.49 2e7n n HIS 97 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2e7n n GLU 98 N 8.71 -0.08 -0.32 1.57 0.28 -1.26 0.69 120.64 130.22 2e7n n GLU 98 Ca 0.48 1.51 0.18 0.00 -0.16 0.00 0.00 57.16 59.17 2e7n n GLU 98 Cb 0.32 -2.31 0.36 0.00 1.43 0.00 0.00 31.44 31.24 2e7n n GLU 98 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2e7n h VAL 99 N 0.00 0.10 -0.21 3.84 3.04 -1.96 0.19 116.25 121.25 2e7n h VAL 99 Ca 0.52 -0.02 0.06 0.00 -1.01 0.00 0.00 66.70 66.24 2e7n h VAL 99 Cb 0.91 0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 30.15 2e7n h VAL 99 CO -0.98 0.01 -0.28 0.58 -1.01 0.00 0.00 177.57 175.90 2e7n h VAL 100 N 0.07 0.34 -0.36 1.51 2.07 -0.06 0.18 116.25 120.00 2e7n h VAL 100 Ca 0.65 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.27 2e7n h VAL 100 Cb 1.44 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2e7n h VAL 100 CO -0.81 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.11 2e7n h ALA 101 N 0.65 2.12 0.12 1.67 0.00 -0.70 -0.78 119.26 122.34 2e7n h ALA 101 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 2e7n h ALA 101 Cb 0.50 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.34 2e7n h ALA 101 CO -0.38 -0.51 -1.00 0.52 0.00 0.00 0.00 179.25 177.87 2e7n h MET 102 N 0.00 0.47 -0.39 0.00 2.86 -0.44 -3.26 114.93 114.17 2e7n h MET 102 Ca 0.17 -0.66 0.08 0.00 -2.06 0.00 0.00 59.70 57.22 2e7n h MET 102 Cb 0.83 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2e7n h MET 102 CO -0.00 1.29 0.27 0.00 1.06 0.00 0.00 176.91 179.52 2e7n h ALA 103 N 0.21 2.12 0.08 6.32 0.00 0.46 -2.34 119.26 126.10 2e7n h ALA 103 Ca -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2e7n h ALA 103 Cb 1.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2e7n h ALA 103 CO 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.19 2e7n h ARG 104 N 0.18 -0.10 -0.89 0.00 3.08 -1.51 -2.08 114.38 113.06 2e7n h ARG 104 Ca 0.18 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.39 2e7n h ARG 104 Cb 0.46 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 30.38 2e7n h ARG 104 CO -0.03 0.20 -0.30 0.87 -1.07 0.00 0.00 179.97 179.65 2e7n h LYS 105 N -0.40 -0.02 -0.49 0.04 1.57 -1.46 0.34 116.57 116.14 2e7n h LYS 105 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2e7n h LYS 105 Cb 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2e7n h LYS 105 CO 0.02 -0.02 -0.02 1.25 -0.57 0.00 0.00 179.45 180.11 2e7n h LEU 106 N -0.02 0.87 -1.32 2.94 5.85 -1.55 -2.85 115.31 119.23 2e7n h LEU 106 Ca 0.38 -0.32 0.23 0.00 0.84 0.00 0.00 57.88 59.01 2e7n h LEU 106 Cb 0.63 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 2e7n h LEU 106 CO -0.92 0.98 0.63 -0.61 -0.34 0.00 0.00 178.44 178.18 2e7n h GLN 107 N 0.74 0.47 0.08 1.25 -0.00 0.37 -0.45 115.11 117.57 2e7n h GLN 107 Ca 0.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2e7n h GLN 107 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.92 2e7n h GLN 107 CO 0.03 0.31 -0.04 0.22 0.00 0.00 0.00 178.83 179.35 2e7n h ASP 108 N 0.49 -0.09 -0.74 -0.69 1.82 -0.99 -2.76 116.42 113.45 2e7n h ASP 108 Ca 0.55 -0.29 0.07 0.00 -0.39 0.00 0.00 57.03 56.97 2e7n h ASP 108 Cb 1.26 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.24 2e7n h ASP 108 CO -0.28 0.25 0.49 0.58 -1.61 0.00 0.00 179.24 178.67 2e7n h VAL 109 N -0.45 1.01 -0.77 2.25 2.07 -1.14 -1.43 116.25 117.80 2e7n h VAL 109 Ca -0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2e7n h VAL 109 Cb 0.38 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2e7n h VAL 109 CO 0.02 0.14 0.33 0.15 0.02 0.00 0.00 177.57 178.23 2e7n h PHE 110 N 0.77 1.14 0.74 1.57 3.57 -1.05 -2.10 116.94 121.57 2e7n h PHE 110 Ca 0.32 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2e7n h PHE 110 Cb 0.28 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.68 2e7n h PHE 110 CO -0.00 0.85 -0.35 0.93 -2.23 0.00 0.00 178.31 177.50 2e7n h GLU 111 N 1.11 -0.95 -0.67 1.11 4.39 -0.97 -1.91 114.58 116.67 2e7n h GLU 111 Ca 0.26 0.06 0.14 0.00 0.34 0.00 0.00 59.36 60.17 2e7n h GLU 111 Cb 0.17 0.22 -0.12 0.00 -0.10 0.00 0.00 28.75 28.92 2e7n h GLU 111 CO -0.03 -0.63 -0.02 0.00 -1.16 0.00 0.00 179.01 177.17 2e7n h MET 112 N -1.09 0.10 0.27 2.33 -0.00 -1.48 -0.91 114.93 114.15 2e7n h MET 112 Ca -0.10 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.60 2e7n h MET 112 Cb 0.76 -0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.30 2e7n h MET 112 CO 0.17 0.06 -0.44 0.00 -0.00 0.00 0.00 176.91 176.70 2e7n h ARG 113 N 0.10 -0.75 -0.66 -0.10 2.47 -1.34 0.29 114.38 114.38 2e7n h ARG 113 Ca 0.36 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 59.26 2e7n h ARG 113 Cb 0.59 0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 28.99 2e7n h ARG 113 CO -0.60 -0.50 0.13 0.35 0.56 0.00 0.00 179.97 179.91 2e7n h PHE 114 N -0.78 0.20 -0.60 3.04 3.57 -0.49 -0.59 116.94 121.29 2e7n h PHE 114 Ca -0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2e7n h PHE 114 Cb 0.74 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2e7n h PHE 114 CO -0.32 -0.07 0.23 0.00 -2.23 0.00 0.00 178.31 175.93 2e7n h ALA 115 N 1.55 0.78 -1.01 2.41 0.00 -0.67 -2.71 119.26 119.61 2e7n h ALA 115 Ca 0.36 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.33 2e7n h ALA 115 Cb 0.57 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 2e7n h ALA 115 CO -0.47 0.40 0.61 0.87 0.00 0.00 0.00 179.25 180.66 2e7n h LYS 116 N 0.83 0.59 0.00 0.00 1.79 0.12 -3.51 116.57 116.39 2e7n h LYS 116 Ca 0.20 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2e7n h LYS 116 Cb 0.21 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2e7n h LYS 116 CO -0.02 0.39 0.00 -0.12 -1.08 0.00 0.00 179.45 178.63