#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 6.50 -0.76 1.61 0.01 -1.26 -4.97 113.70 114.83 2e7n s SER 2 Ca 0.00 -1.60 -0.24 0.00 1.31 0.00 0.00 55.95 55.42 2e7n s SER 2 Cb 0.00 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2e7n s SER 2 CO 0.00 -1.32 1.15 -0.55 0.41 0.00 0.00 173.24 172.93 2e7n s SER 3 N 4.12 6.27 0.00 2.44 0.15 -1.26 -4.70 113.70 120.72 2e7n s SER 3 Ca 0.36 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2e7n s SER 3 Cb -0.05 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2e7n s SER 3 CO -0.06 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.46 2e7n n GLY 4 N 5.56 -0.64 3.11 9.45 0.00 -1.26 -5.14 105.19 116.28 2e7n n GLY 4 Ca 0.06 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 2e7n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7n s SER 5 N -4.00 -0.16 -0.06 1.61 1.04 -1.26 -5.16 113.70 105.71 2e7n s SER 5 Ca 0.00 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.69 2e7n s SER 5 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2e7n s SER 5 CO 0.00 -0.18 -0.08 -0.44 0.98 0.00 0.00 173.24 173.52 2e7n s SER 6 N -0.39 1.45 0.00 7.02 0.01 -1.26 -5.11 113.70 115.41 2e7n s SER 6 Ca -0.05 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2e7n s SER 6 Cb -0.03 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2e7n s SER 6 CO 0.01 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2e7n n GLY 7 N 4.12 -0.81 0.00 3.44 0.00 -1.26 -5.13 105.19 105.56 2e7n n GLY 7 Ca -0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 1.15 3.25 -0.02 0.00 -1.26 -5.00 105.19 103.31 2e7n n GLY 8 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 1.47 0.03 1.61 -0.14 -1.26 -5.10 119.74 116.35 2e7n s LYS 9 Ca 0.00 -1.82 -0.33 0.00 -1.36 0.00 0.00 55.97 52.46 2e7n s LYS 9 Cb 0.00 0.25 -0.17 0.00 -1.68 0.00 0.00 37.83 36.23 2e7n s LYS 9 CO 0.00 -0.50 0.85 1.28 -0.76 0.00 0.00 175.35 176.21 2e7n n LEU 10 N -0.45 -0.18 -4.79 3.17 4.77 -1.26 -4.87 117.00 113.39 2e7n n LEU 10 Ca 0.04 0.99 -0.34 0.00 -0.03 0.00 0.00 56.01 56.68 2e7n n LEU 10 Cb 0.64 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2e7n n LEU 10 CO 0.33 -1.79 0.74 -0.55 -1.33 0.00 0.00 177.39 174.78 2e7n s SER 11 N -0.14 5.99 0.35 -1.43 0.15 -1.26 -4.64 113.70 112.71 2e7n s SER 11 Ca 0.75 1.97 0.16 0.00 0.70 0.00 0.00 55.95 59.53 2e7n s SER 11 Cb -1.05 -2.56 1.19 0.00 -1.71 0.00 0.00 66.02 61.89 2e7n s SER 11 CO 0.49 -1.03 1.55 -1.84 1.20 0.00 0.00 173.24 173.61 2e7n n GLU 12 N -1.37 -0.06 -0.07 5.44 0.00 -1.26 -0.45 120.64 122.87 2e7n n GLU 12 Ca 0.10 1.38 -0.07 0.00 0.00 0.00 0.00 57.16 58.57 2e7n n GLU 12 Cb 0.52 -2.41 -0.03 0.00 0.00 0.00 0.00 31.44 29.52 2e7n n GLU 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2e7n h HIS 13 N 0.00 0.00 -0.94 -1.84 3.86 -1.99 -3.39 115.15 110.84 2e7n h HIS 13 Ca 0.78 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 60.10 2e7n h HIS 13 Cb 1.98 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 30.32 2e7n h HIS 13 CO -0.13 0.24 -0.48 -0.11 0.86 0.00 0.00 177.93 178.32 2e7n n LEU 14 N -4.61 -0.85 -0.28 2.43 7.94 -0.79 0.25 117.00 121.10 2e7n n LEU 14 Ca -0.10 1.66 0.08 0.00 -1.11 0.00 0.00 56.01 56.54 2e7n n LEU 14 Cb 0.30 -0.28 0.17 0.00 0.53 0.00 0.00 43.42 44.14 2e7n n LEU 14 CO 0.11 -1.41 0.58 -2.11 -1.11 0.00 0.00 177.39 173.45 2e7n n ARG 15 N -5.26 -0.07 0.23 1.96 1.85 0.41 0.43 116.66 116.22 2e7n n ARG 15 Ca 0.05 1.22 -0.15 0.00 -1.00 0.00 0.00 57.85 57.97 2e7n n ARG 15 Cb 0.30 -1.87 -0.08 0.00 -1.05 0.00 0.00 32.46 29.75 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 -0.52 -0.97 2.89 5.03 -0.39 -2.90 116.97 120.11 2e7n h TYR 16 Ca 0.43 -0.01 0.32 0.00 2.58 0.00 0.00 58.73 62.05 2e7n h TYR 16 Cb 0.78 0.17 -0.17 0.00 1.55 0.00 0.00 36.73 39.06 2e7n h TYR 16 CO -0.51 -0.26 0.33 0.00 -1.32 0.00 0.00 178.16 176.40 2e7n h ASP 18 N 0.10 -0.29 -0.33 0.00 3.58 -1.15 0.70 116.42 119.03 2e7n h ASP 18 Ca 0.69 0.28 -0.00 0.00 0.42 0.00 0.00 57.03 58.42 2e7n h ASP 18 Cb 1.62 0.44 -0.02 0.00 1.72 0.00 0.00 39.33 43.09 2e7n h ASP 18 CO -0.76 -0.38 0.19 0.28 -2.88 0.00 0.00 179.24 175.70 2e7n h SER 19 N 0.01 0.41 -1.41 2.28 0.02 -0.56 -2.48 113.55 111.81 2e7n h SER 19 Ca 0.66 -0.06 0.47 0.00 -0.84 0.00 0.00 61.79 62.02 2e7n h SER 19 Cb 1.48 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.80 2e7n h SER 19 CO -0.89 0.35 0.93 -0.38 -1.14 0.00 0.00 176.83 175.70 2e7n n ILE 20 N -4.81 -0.20 -0.03 3.27 5.41 0.24 0.56 119.36 123.80 2e7n n ILE 20 Ca -0.01 1.68 -0.19 0.00 1.00 0.00 0.00 62.75 65.23 2e7n n ILE 20 Cb 0.06 -2.75 -0.13 0.00 -0.71 0.00 0.00 39.64 36.10 2e7n n ILE 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2e7n h LEU 21 N 0.00 0.20 -1.79 1.39 5.85 -1.43 -2.90 115.31 116.63 2e7n h LEU 21 Ca 0.85 -0.85 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2e7n h LEU 21 Cb 2.85 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 43.79 2e7n h LEU 21 CO -0.38 1.35 0.41 0.08 -0.34 0.00 0.00 178.44 179.56 2e7n h ARG 22 N -0.68 0.21 0.02 1.25 -0.00 0.36 -0.71 114.38 114.84 2e7n h ARG 22 Ca -0.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.74 2e7n h ARG 22 Cb 1.40 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.33 2e7n h ARG 22 CO 0.01 0.14 -0.19 1.49 -0.00 0.00 0.00 179.97 181.42 2e7n h GLU 23 N 0.22 0.09 -0.14 0.08 4.81 -0.75 -3.27 114.58 115.62 2e7n h GLU 23 Ca 0.29 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2e7n h GLU 23 Cb 0.83 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2e7n h GLU 23 CO -0.05 0.99 0.15 0.52 -0.73 0.00 0.00 179.01 179.88 2e7n h MET 24 N -0.75 0.00 -1.51 1.92 2.86 -1.17 -1.67 114.93 114.61 2e7n h MET 24 Ca -0.03 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.36 2e7n h MET 24 Cb 1.07 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 2e7n h MET 24 CO 0.04 0.00 0.32 1.28 1.06 0.00 0.00 176.91 179.60 2e7n n LEU 25 N -3.90 5.91 -4.79 1.22 4.77 -0.33 -4.40 117.00 115.48 2e7n n LEU 25 Ca 0.01 -2.97 -0.26 0.00 -0.03 0.00 0.00 56.01 52.76 2e7n n LEU 25 Cb 0.26 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.30 2e7n n LEU 25 CO 0.28 1.10 -0.22 -0.55 -1.33 0.00 0.00 177.39 176.67 2e7n s SER 26 N 0.48 5.46 0.54 -1.43 0.15 -0.63 -4.97 113.70 113.29 2e7n s SER 26 Ca 0.24 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.97 2e7n s SER 26 Cb 0.19 -1.40 1.41 0.00 -1.71 0.00 0.00 66.02 64.50 2e7n s SER 26 CO 0.00 0.06 2.02 0.11 1.20 0.00 0.00 173.24 176.63 2e7n h LYS 27 N 2.34 0.00 0.93 5.44 1.79 -1.90 0.29 116.57 125.45 2e7n h LYS 27 Ca -0.48 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.95 2e7n h LYS 27 Cb 1.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2e7n h LYS 27 CO 0.63 0.00 -0.45 0.87 -1.08 0.00 0.00 179.45 179.42 2e7n h LYS 28 N 0.00 -1.20 -0.02 3.15 1.57 -1.94 -3.13 116.57 115.00 2e7n h LYS 28 Ca 0.21 0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2e7n h LYS 28 Cb 0.87 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2e7n h LYS 28 CO -0.00 -0.80 -0.55 0.45 -0.57 0.00 0.00 179.45 177.98 2e7n h HIS 29 N -1.31 0.08 -0.71 -1.35 3.86 -1.71 -3.28 115.15 110.74 2e7n h HIS 29 Ca -0.13 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.17 2e7n h HIS 29 Cb 0.96 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.29 2e7n h HIS 29 CO -0.00 0.60 -0.25 0.00 0.86 0.00 0.00 177.93 179.14 2e7n n ALA 30 N -2.44 -0.03 -0.32 2.45 0.00 0.96 0.21 120.51 121.33 2e7n n ALA 30 Ca -0.02 0.72 0.14 0.00 0.00 0.00 0.00 53.44 54.28 2e7n n ALA 30 Cb 0.56 -0.35 0.27 0.00 0.00 0.00 0.00 19.45 19.93 2e7n n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7n n ALA 31 N -3.65 0.47 -0.41 0.00 0.00 -1.24 0.67 120.51 116.35 2e7n n ALA 31 Ca 0.08 1.00 0.04 0.00 0.00 0.00 0.00 53.44 54.56 2e7n n ALA 31 Cb 0.30 -0.73 0.09 0.00 0.00 0.00 0.00 19.45 19.11 2e7n n ALA 31 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2e7n n TYR 32 N -5.38 0.17 0.08 0.00 0.18 0.33 -4.52 117.16 108.02 2e7n n TYR 32 Ca 0.22 -0.67 0.01 0.00 1.88 0.00 0.00 57.90 59.34 2e7n n TYR 32 Cb 0.71 -0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 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 -0.58 2.38 0.10 -3.48 0.00 0.55 -4.24 120.51 115.23 2e7n n ALA 33 Ca 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 2e7n n ALA 33 Cb 0.44 -0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 0.22 0.10 -0.09 0.00 5.08 0.05 -3.16 115.95 118.14 2e7n h TRP 34 Ca 0.00 -0.05 0.03 0.00 1.08 0.00 0.00 58.89 59.94 2e7n h TRP 34 Cb 0.06 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.21 2e7n h TRP 34 CO 0.00 0.83 0.62 -1.35 -1.28 0.00 0.00 178.44 177.26 2e7n h PRO 35 N 0.04 0.00 -1.24 0.12 0.11 -1.82 0.33 132.00 129.54 2e7n h PRO 35 Ca -0.02 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.50 2e7n h PRO 35 Cb 1.40 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.09 2e7n h PRO 35 CO 0.11 0.00 -0.60 1.19 -0.21 0.00 0.00 178.00 178.49 2e7n n PHE 36 N -2.84 3.14 -0.05 0.65 3.72 -1.19 -4.72 117.46 116.17 2e7n n PHE 36 Ca 0.01 -2.74 -0.11 0.00 -0.05 0.00 0.00 57.45 54.56 2e7n n PHE 36 Cb 0.68 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.59 0.00 -4.06 1.38 4.02 0.12 -2.62 117.16 115.41 2e7n n TYR 37 Ca 0.43 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.97 2e7n n TYR 37 Cb 0.75 -0.39 -0.07 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.27 3.22 0.11 -0.72 1.02 -1.26 -4.47 119.74 115.37 2e7n s LYS 38 Ca -0.16 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 55.18 2e7n s LYS 38 Cb 0.05 -2.98 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 2e7n s LYS 38 CO 0.21 0.70 1.36 -1.25 -0.92 0.00 0.00 175.35 175.45 2e7n s PRO 39 N -1.38 4.34 0.02 -1.68 0.04 -1.26 -4.99 135.00 130.09 2e7n s PRO 39 Ca 0.19 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2e7n s PRO 39 Cb -0.12 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2e7n s PRO 39 CO 0.09 -0.40 0.98 0.54 0.04 0.00 0.00 177.00 178.25 2e7n s VAL 40 N 1.02 4.79 -1.08 -0.36 0.11 -1.26 -4.99 120.40 118.62 2e7n s VAL 40 Ca 0.63 2.06 -0.10 0.00 -2.93 0.00 0.00 61.98 61.64 2e7n s VAL 40 Cb -0.36 -4.32 0.27 0.00 -1.53 0.00 0.00 36.38 30.44 2e7n s VAL 40 CO 0.31 0.19 1.07 -0.62 -3.33 0.00 0.00 175.10 172.72 2e7n s ASP 41 N 0.80 7.26 0.02 3.54 -1.08 -1.26 -4.91 116.67 121.03 2e7n s ASP 41 Ca 0.51 -3.48 -0.07 0.00 -0.52 0.00 0.00 52.55 48.98 2e7n s ASP 41 Cb -0.22 -2.21 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2e7n s ASP 41 CO 0.28 -0.32 1.11 0.00 0.52 0.00 0.00 175.17 176.76 2e7n h ALA 42 N 6.80 -0.83 -0.73 3.66 0.00 -1.94 -1.91 119.26 124.32 2e7n h ALA 42 Ca 0.17 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.20 2e7n h ALA 42 Cb 0.89 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 2e7n h ALA 42 CO 0.98 -0.84 -0.14 0.39 0.00 0.00 0.00 179.25 179.64 2e7n n GLU 43 N -2.93 -0.06 -0.16 0.00 1.02 -1.26 0.21 120.64 117.45 2e7n n GLU 43 Ca -0.02 1.12 -0.06 0.00 -0.02 0.00 0.00 57.16 58.18 2e7n n GLU 43 Cb 0.10 -1.70 0.03 0.00 -0.02 0.00 0.00 31.44 29.85 2e7n n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2e7n h ALA 44 N 1.45 0.63 -0.19 0.62 0.00 -1.91 -1.06 119.26 118.79 2e7n h ALA 44 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2e7n h ALA 44 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2e7n h ALA 44 CO -0.73 -0.01 0.02 1.28 0.00 0.00 0.00 179.25 179.81 2e7n n LEU 45 N -4.81 2.68 -4.15 0.00 4.77 0.56 -4.86 117.00 111.20 2e7n n LEU 45 Ca 0.03 -1.36 -0.35 0.00 -0.03 0.00 0.00 56.01 54.30 2e7n n LEU 45 Cb 0.07 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 2e7n n LEU 45 CO 0.32 0.40 0.01 -0.62 -1.33 0.00 0.00 177.39 176.18 2e7n n GLU 46 N 0.17 -3.76 -1.34 3.23 -0.58 -0.08 -4.83 120.64 113.45 2e7n n GLU 46 Ca 0.10 0.43 -0.33 0.00 -0.42 0.00 0.00 57.16 56.93 2e7n n GLU 46 Cb 0.58 -5.21 0.09 0.00 -0.57 0.00 0.00 31.44 26.33 2e7n n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2e7n n LEU 47 N -4.45 7.50 -0.30 -4.62 4.77 -0.67 -4.76 117.00 114.47 2e7n n LEU 47 Ca 0.07 -4.23 0.05 0.00 -0.03 0.00 0.00 56.01 51.87 2e7n n LEU 47 Cb 0.50 -0.94 0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2e7n n LEU 47 CO 0.83 1.44 0.54 0.00 -1.33 0.00 0.00 177.39 178.88 2e7n n HIS 48 N -0.94 0.28 -0.27 -1.77 1.44 -1.26 0.14 115.22 112.84 2e7n n HIS 48 Ca 0.62 1.01 0.08 0.00 -2.01 0.00 0.00 57.72 57.42 2e7n n HIS 48 Cb 0.79 -0.97 0.21 0.00 0.12 0.00 0.00 29.99 30.14 2e7n n HIS 48 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 2e7n h ASP 49 N 0.00 -0.17 -0.71 4.39 3.04 -1.99 -0.38 116.42 120.60 2e7n h ASP 49 Ca 0.39 0.19 0.21 0.00 -3.24 0.00 0.00 57.03 54.58 2e7n h ASP 49 Cb 0.60 0.30 -0.13 0.00 -1.04 0.00 0.00 39.33 39.05 2e7n h ASP 49 CO -0.85 -0.15 0.06 0.00 -2.04 0.00 0.00 179.24 176.26 2e7n n TYR 50 N -5.28 0.50 -0.03 4.15 4.19 0.38 0.22 117.16 121.29 2e7n n TYR 50 Ca 0.17 0.86 -0.16 0.00 3.31 0.00 0.00 57.90 62.07 2e7n n TYR 50 Cb 0.55 -1.07 -0.08 0.00 0.49 0.00 0.00 39.34 39.24 2e7n n TYR 50 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2e7n h HIS 51 N 0.00 0.85 -0.79 2.98 3.86 -1.18 -1.03 115.15 119.83 2e7n h HIS 51 Ca 0.45 -0.37 0.18 0.00 -1.16 0.00 0.00 60.37 59.48 2e7n h HIS 51 Cb 0.98 -0.13 -0.12 0.00 1.06 0.00 0.00 27.41 29.20 2e7n h HIS 51 CO -0.32 1.17 0.24 -0.44 0.86 0.00 0.00 177.93 179.44 2e7n h ASP 52 N 0.29 0.10 0.00 2.45 5.19 0.27 -3.07 116.42 121.66 2e7n h ASP 52 Ca -0.04 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2e7n h ASP 52 Cb 1.23 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.92 2e7n h ASP 52 CO 0.12 -0.03 -0.09 0.40 -3.12 0.00 0.00 179.24 176.52 2e7n h ILE 53 N 0.31 0.00 -2.87 0.35 5.03 -1.30 -3.45 117.51 115.57 2e7n h ILE 53 Ca 0.46 -0.90 -0.52 0.00 -0.12 0.00 0.00 64.86 63.78 2e7n h ILE 53 Cb 0.82 0.00 0.05 0.00 -3.03 0.00 0.00 36.82 34.66 2e7n h ILE 53 CO -0.52 0.00 0.88 -0.63 -0.68 0.00 0.00 178.15 177.19 2e7n s ILE 54 N -1.61 2.59 -0.16 -0.67 -1.09 -0.39 -4.93 121.20 114.94 2e7n s ILE 54 Ca -0.03 0.43 -0.17 0.00 -2.23 0.00 0.00 60.65 58.65 2e7n s ILE 54 Cb 0.00 -3.27 -0.23 0.00 -1.58 0.00 0.00 42.46 37.38 2e7n s ILE 54 CO 0.04 0.04 0.36 0.11 -1.23 0.00 0.00 174.94 174.26 2e7n h LYS 55 N 6.63 0.12 -2.49 2.79 1.57 -1.88 -3.42 116.57 119.90 2e7n h LYS 55 Ca -0.43 -0.21 -0.37 0.00 -1.87 0.00 0.00 60.65 57.77 2e7n h LYS 55 Cb 1.21 0.08 -0.36 0.00 0.08 0.00 0.00 32.23 33.23 2e7n h LYS 55 CO 0.90 1.10 -0.67 -1.01 -0.57 0.00 0.00 179.45 179.21 2e7n s HIS 56 N -2.43 -0.20 0.10 -1.35 3.76 -1.26 -5.13 115.29 108.78 2e7n s HIS 56 Ca -0.25 -0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 2e7n s HIS 56 Cb 0.05 -0.51 -0.07 0.00 1.11 0.00 0.00 32.58 33.15 2e7n s HIS 56 CO 0.68 -0.74 1.37 -1.25 -0.85 0.00 0.00 174.74 173.95 2e7n s PRO 57 N 2.28 4.33 0.12 8.40 0.04 -1.26 -4.90 135.00 144.02 2e7n s PRO 57 Ca 0.08 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2e7n s PRO 57 Cb -0.15 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2e7n s PRO 57 CO -0.23 -0.43 -0.19 1.41 0.04 0.00 0.00 177.00 177.60 2e7n s MET 58 N 1.21 1.15 -0.12 4.56 1.75 -1.26 -5.09 119.30 121.50 2e7n s MET 58 Ca 0.64 -1.24 -0.18 0.00 -1.25 0.00 0.00 55.69 53.66 2e7n s MET 58 Cb -0.36 -1.31 0.04 0.00 2.84 0.00 0.00 34.83 36.05 2e7n s MET 58 CO 0.30 0.29 0.46 0.16 -0.65 0.00 0.00 175.02 175.58 2e7n s ASP 59 N -2.18 -0.45 0.24 1.11 1.47 -1.26 -4.80 116.67 110.81 2e7n s ASP 59 Ca 0.09 0.72 -0.03 0.00 1.18 0.00 0.00 52.55 54.52 2e7n s ASP 59 Cb -0.08 0.76 0.50 0.00 -0.34 0.00 0.00 42.92 43.76 2e7n s ASP 59 CO 0.05 -0.29 1.28 0.18 0.68 0.00 0.00 175.17 177.07 2e7n n LEU 60 N 2.20 -0.20 -0.33 2.11 4.77 -1.08 0.34 117.00 124.81 2e7n n LEU 60 Ca -0.16 1.40 0.02 0.00 -0.03 0.00 0.00 56.01 57.25 2e7n n LEU 60 Cb 0.57 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 2e7n n LEU 60 CO 0.15 -1.38 0.56 -1.54 -1.33 0.00 0.00 177.39 173.85 2e7n n SER 61 N -5.26 -0.44 -0.02 -1.43 3.41 -1.26 0.15 113.62 108.77 2e7n n SER 61 Ca 0.16 1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 60.20 2e7n n SER 61 Cb 0.52 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2e7n n SER 61 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2e7n h THR 62 N 0.00 1.22 -0.72 6.66 2.02 -0.51 -1.31 112.91 120.27 2e7n h THR 62 Ca 0.37 -0.68 0.14 0.00 0.77 0.00 0.00 66.41 67.01 2e7n h THR 62 Cb 0.60 1.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.44 2e7n h THR 62 CO -0.91 0.19 0.26 0.58 0.37 0.00 0.00 175.52 176.02 2e7n h VAL 63 N -0.11 0.65 -0.31 3.16 2.07 -0.12 0.21 116.25 121.78 2e7n h VAL 63 Ca 0.02 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2e7n h VAL 63 Cb 0.29 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2e7n h VAL 63 CO 0.00 0.07 -0.15 0.50 0.02 0.00 0.00 177.57 178.01 2e7n h LYS 64 N 0.40 0.66 -0.44 1.57 3.64 -0.53 -0.90 116.57 120.97 2e7n h LYS 64 Ca 0.40 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2e7n h LYS 64 Cb 0.60 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2e7n h LYS 64 CO -0.41 0.88 0.29 0.00 -2.27 0.00 0.00 179.45 177.93 2e7n h ARG 65 N 0.42 0.57 0.51 1.90 2.47 -0.08 0.24 114.38 120.42 2e7n h ARG 65 Ca 0.07 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2e7n h ARG 65 Cb 0.68 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2e7n h ARG 65 CO 0.05 0.37 -0.25 0.87 0.56 0.00 0.00 179.97 181.57 2e7n h LYS 66 N 0.58 -0.66 -0.63 0.04 1.57 -0.62 -2.32 116.57 114.53 2e7n h LYS 66 Ca 0.16 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 2e7n h LYS 66 Cb -0.06 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.31 2e7n h LYS 66 CO -0.04 -0.44 0.10 1.98 -0.57 0.00 0.00 179.45 180.47 2e7n h MET 67 N -0.96 0.21 -0.42 3.15 4.05 -1.18 0.11 114.93 119.89 2e7n h MET 67 Ca -0.07 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.41 2e7n h MET 67 Cb 0.53 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 2e7n h MET 67 CO 0.12 0.14 0.03 0.22 0.23 0.00 0.00 176.91 177.64 2e7n h ASP 68 N 0.21 -0.11 -0.24 1.39 3.58 -0.56 -0.34 116.42 120.36 2e7n h ASP 68 Ca 0.34 0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.76 2e7n h ASP 68 Cb 0.54 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.66 2e7n h ASP 68 CO -0.47 -0.02 0.15 0.61 -2.88 0.00 0.00 179.24 176.64 2e7n n GLY 69 N -1.27 2.56 4.43 -0.78 0.00 -0.41 -4.83 105.19 104.89 2e7n n GLY 69 Ca 0.03 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 0.11 -1.32 0.11 1.61 5.12 -0.14 -4.81 116.66 117.33 2e7n n ARG 70 Ca 0.14 0.19 -0.23 0.00 -1.93 0.00 0.00 57.85 56.02 2e7n n ARG 70 Cb 0.77 -4.62 -0.15 0.00 -1.16 0.00 0.00 32.46 27.30 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e7n h GLU 71 N -1.17 0.53 -6.57 5.56 5.08 -1.02 -3.45 114.58 113.54 2e7n h GLU 71 Ca -0.61 -0.83 -0.53 0.00 -1.00 0.00 0.00 59.36 56.40 2e7n h GLU 71 Cb 1.39 0.30 0.04 0.00 0.50 0.00 0.00 28.75 30.98 2e7n h GLU 71 CO 0.84 1.39 0.99 0.71 -1.00 0.00 0.00 179.01 181.94 2e7n s TYR 72 N -2.71 2.69 0.07 4.33 2.02 -1.26 -4.92 117.35 117.58 2e7n s TYR 72 Ca -0.10 0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.77 2e7n s TYR 72 Cb 0.04 -4.05 -0.11 0.00 -0.40 0.00 0.00 41.96 37.43 2e7n s TYR 72 CO 0.92 -4.08 1.38 -1.00 -1.57 0.00 0.00 175.55 171.20 2e7n h PRO 73 N 7.49 0.53 -3.46 -1.71 0.13 -1.94 -3.48 132.00 129.56 2e7n h PRO 73 Ca -0.43 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.32 2e7n h PRO 73 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2e7n h PRO 73 CO 0.94 0.86 0.06 -0.51 -0.23 0.00 0.00 178.00 179.12 2e7n s ASP 74 N -6.34 0.23 0.28 1.44 1.01 -1.26 -4.85 116.67 107.19 2e7n s ASP 74 Ca -0.13 -1.14 0.02 0.00 0.71 0.00 0.00 52.55 52.00 2e7n s ASP 74 Cb 0.07 0.73 0.68 0.00 1.01 0.00 0.00 42.92 45.42 2e7n s ASP 74 CO 0.79 -1.43 1.68 0.00 0.21 0.00 0.00 175.17 176.42 2e7n h ALA 75 N 2.08 1.31 -0.43 5.23 0.00 -1.92 0.37 119.26 125.90 2e7n h ALA 75 Ca -0.28 0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2e7n h ALA 75 Cb 1.25 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 2e7n h ALA 75 CO 0.37 -0.38 -0.02 1.96 0.00 0.00 0.00 179.25 181.17 2e7n h GLN 76 N 0.32 0.08 -1.00 0.00 1.08 -1.99 -0.09 115.11 113.51 2e7n h GLN 76 Ca 0.54 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.78 2e7n h GLN 76 Cb 1.03 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.38 2e7n h GLN 76 CO -0.57 0.05 0.65 0.78 -0.95 0.00 0.00 178.83 178.80 2e7n h GLY 77 N 0.08 1.49 0.67 3.46 0.00 -1.33 0.23 103.07 107.69 2e7n h GLY 77 Ca 0.21 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2e7n h GLY 77 CO -0.38 0.38 -0.14 -2.75 0.00 0.00 0.00 176.54 173.66 2e7n h PHE 78 N 1.22 -0.37 -0.13 5.60 3.57 -0.90 -3.19 116.94 122.74 2e7n h PHE 78 Ca 0.41 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.91 2e7n h PHE 78 Cb 0.08 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2e7n h PHE 78 CO -0.00 -0.04 0.07 0.00 -2.23 0.00 0.00 178.31 176.11 2e7n h ALA 79 N -0.16 0.16 -0.97 2.41 0.00 -0.88 -2.70 119.26 117.12 2e7n h ALA 79 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.14 2e7n h ALA 79 Cb 0.49 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.07 2e7n h ALA 79 CO 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 179.25 178.97 2e7n n ALA 80 N -2.15 0.50 0.23 0.00 0.00 0.81 -0.45 120.51 119.45 2e7n n ALA 80 Ca -0.04 1.05 -0.10 0.00 0.00 0.00 0.00 53.44 54.35 2e7n n ALA 80 Cb 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 2e7n n ALA 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2e7n h ASP 81 N 0.00 -0.53 -0.85 0.00 5.19 -1.47 -2.81 116.42 115.95 2e7n h ASP 81 Ca 0.59 0.02 0.14 0.00 -0.62 0.00 0.00 57.03 57.16 2e7n h ASP 81 Cb 1.22 0.14 -0.14 0.00 0.18 0.00 0.00 39.33 40.73 2e7n h ASP 81 CO -0.92 -0.24 -0.36 0.58 -3.12 0.00 0.00 179.24 175.18 2e7n h VAL 82 N -0.91 0.06 0.00 -1.35 2.07 -0.94 -1.29 116.25 113.89 2e7n h VAL 82 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2e7n h VAL 82 Cb 0.48 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2e7n h VAL 82 CO 0.10 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 177.36 2e7n h ARG 83 N -0.06 -0.44 -0.94 1.57 3.08 -0.83 -2.03 114.38 114.73 2e7n h ARG 83 Ca 0.31 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.58 2e7n h ARG 83 Cb 0.58 0.10 -0.18 0.00 0.08 0.00 0.00 29.97 30.56 2e7n h ARG 83 CO -0.88 -0.29 -0.24 1.25 -1.07 0.00 0.00 179.97 178.73 2e7n h LEU 84 N -0.46 -0.90 -0.56 3.04 5.85 -0.99 0.16 115.31 121.45 2e7n h LEU 84 Ca 0.01 0.28 0.09 0.00 0.84 0.00 0.00 57.88 59.10 2e7n h LEU 84 Cb 0.49 0.59 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 2e7n h LEU 84 CO -0.24 -0.31 -0.39 -0.03 -0.34 0.00 0.00 178.44 177.12 2e7n h MET 85 N -0.00 -0.21 -0.68 1.25 4.05 -0.61 0.80 114.93 119.53 2e7n h MET 85 Ca 0.45 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.91 2e7n h MET 85 Cb 0.68 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 2e7n h MET 85 CO -0.97 -0.14 0.42 0.74 0.23 0.00 0.00 176.91 177.19 2e7n h PHE 86 N -0.21 0.78 -0.02 1.39 0.04 -0.48 -2.06 116.94 116.38 2e7n h PHE 86 Ca 0.20 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.02 2e7n h PHE 86 Cb 0.56 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 2e7n h PHE 86 CO -0.67 0.44 -0.19 1.03 -0.60 0.00 0.00 178.31 178.32 2e7n h SER 87 N 0.81 -0.56 -0.22 2.17 0.87 0.04 -2.67 113.55 113.99 2e7n h SER 87 Ca 0.28 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.96 2e7n h SER 87 Cb 0.04 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2e7n h SER 87 CO -0.12 -0.25 -0.06 0.78 -0.53 0.00 0.00 176.83 176.65 2e7n h ASN 88 N -0.30 -0.23 -0.36 6.23 2.35 -0.66 0.17 115.58 122.79 2e7n h ASN 88 Ca 0.06 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2e7n h ASN 88 Cb 0.38 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 2e7n h ASN 88 CO -0.19 -0.08 -0.21 0.00 -1.65 0.00 0.00 177.43 175.30 2e7n h TYR 90 N 0.00 0.97 -1.00 0.00 0.05 -1.51 -1.08 116.97 114.39 2e7n h TYR 90 Ca 0.06 -0.40 0.41 0.00 0.05 0.00 0.00 58.73 58.84 2e7n h TYR 90 Cb 0.15 -0.16 -0.18 0.00 1.01 0.00 0.00 36.73 37.55 2e7n h TYR 90 CO -0.70 1.22 0.50 -0.22 -1.05 0.00 0.00 178.16 177.91 2e7n h LYS 91 N 0.44 0.00 0.00 4.88 3.64 0.18 -3.06 116.57 122.65 2e7n h LYS 91 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2e7n h LYS 91 Cb 1.26 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2e7n h LYS 91 CO 0.13 0.00 -0.50 0.98 -2.27 0.00 0.00 179.45 177.79 2e7n n TYR 92 N -5.27 0.02 -1.66 1.91 9.36 -0.19 -4.95 117.16 116.37 2e7n n TYR 92 Ca 0.37 0.01 -0.43 0.00 3.32 0.00 0.00 57.90 61.17 2e7n n TYR 92 Cb 1.25 -0.27 -0.01 0.00 -0.63 0.00 0.00 39.34 39.68 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2e7n n ASN 93 N -3.51 2.29 -4.70 2.98 3.02 -0.41 -4.96 115.26 109.95 2e7n n ASN 93 Ca -0.07 1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 55.38 2e7n n ASN 93 Cb 0.26 -1.42 0.15 0.00 -0.61 0.00 0.00 39.78 38.16 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 -1.73 0.99 0.00 3.52 0.04 -1.26 -4.54 135.00 132.01 2e7n s PRO 94 Ca 0.57 0.72 0.15 0.00 0.04 0.00 0.00 61.00 62.47 2e7n s PRO 94 Cb -0.61 -1.79 0.87 0.00 0.04 0.00 0.00 34.50 33.02 2e7n s PRO 94 CO 0.61 -2.40 1.29 -0.35 0.04 0.00 0.00 177.00 176.19 2e7n n PRO 95 N -3.98 0.49 -0.12 0.56 -0.04 -1.26 -2.83 135.00 127.82 2e7n n PRO 95 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 2e7n n PRO 95 Cb 0.56 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.97 2.03 -3.97 3.54 9.92 -1.26 -4.98 116.55 120.86 2e7n n ASP 96 Ca 0.11 0.04 -0.55 0.00 -0.53 0.00 0.00 54.79 53.85 2e7n n ASP 96 Cb 0.05 -0.50 -0.08 0.00 -0.64 0.00 0.00 41.12 39.95 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 -3.53 1.21 -0.13 1.24 -0.00 -1.13 -4.81 115.22 108.07 2e7n n HIS 97 Ca -0.44 0.95 -0.05 0.00 0.46 0.00 0.00 57.72 58.65 2e7n n HIS 97 Cb 0.91 -1.86 0.04 0.00 -0.12 0.00 0.00 29.99 28.95 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 3.73 0.25 -1.42 1.57 4.11 -1.93 -1.27 114.58 119.62 2e7n h GLU 98 Ca -0.39 -0.02 0.44 0.00 0.07 0.00 0.00 59.36 59.46 2e7n h GLU 98 Cb 1.18 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2e7n h GLU 98 CO 0.75 0.17 0.96 -0.24 0.07 0.00 0.00 179.01 180.72 2e7n h VAL 99 N 0.26 0.17 -0.88 -1.06 3.04 -1.97 0.80 116.25 116.61 2e7n h VAL 99 Ca 0.20 -0.03 0.04 0.00 -1.01 0.00 0.00 66.70 65.90 2e7n h VAL 99 Cb 0.22 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 29.53 2e7n h VAL 99 CO -0.23 0.02 0.56 0.58 -1.01 0.00 0.00 177.57 177.48 2e7n h VAL 100 N 0.08 1.13 -0.24 1.51 2.07 -1.55 -0.84 116.25 118.41 2e7n h VAL 100 Ca 0.79 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.83 2e7n h VAL 100 Cb 2.70 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2e7n h VAL 100 CO -0.26 0.20 -0.32 0.00 0.02 0.00 0.00 177.57 177.21 2e7n h ALA 101 N 1.37 1.02 -0.30 1.67 0.00 0.51 -2.96 119.26 120.57 2e7n h ALA 101 Ca 0.36 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2e7n h ALA 101 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2e7n h ALA 101 CO -0.13 0.59 -0.34 0.52 0.00 0.00 0.00 179.25 179.89 2e7n h MET 102 N 0.42 0.67 -0.44 0.00 2.86 -1.12 -3.13 114.93 114.19 2e7n h MET 102 Ca 0.05 -0.32 0.06 0.00 -2.06 0.00 0.00 59.70 57.43 2e7n h MET 102 Cb 0.76 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 2e7n h MET 102 CO 0.06 0.92 0.14 0.00 1.06 0.00 0.00 176.91 179.09 2e7n h ALA 103 N 1.06 0.52 0.24 6.32 0.00 -1.01 -2.78 119.26 123.60 2e7n h ALA 103 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2e7n h ALA 103 Cb 0.86 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2e7n h ALA 103 CO 0.07 -0.25 -0.28 0.00 0.00 0.00 0.00 179.25 178.79 2e7n h ARG 104 N 0.31 -0.55 -0.78 0.00 3.08 -1.52 -1.55 114.38 113.37 2e7n h ARG 104 Ca 0.21 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.39 2e7n h ARG 104 Cb 0.21 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.28 2e7n h ARG 104 CO -0.22 -0.37 -0.38 1.63 -1.07 0.00 0.00 179.97 179.55 2e7n n LYS 105 N -5.40 -0.27 -0.00 0.04 5.02 -1.05 0.21 118.16 116.71 2e7n n LYS 105 Ca -0.08 1.18 -0.12 0.00 -2.02 0.00 0.00 58.31 57.27 2e7n n LYS 105 Cb 0.31 -1.75 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.08 -0.93 -0.35 5.85 -1.47 -2.93 115.31 115.57 2e7n h LEU 106 Ca 0.19 -0.18 0.27 0.00 0.84 0.00 0.00 57.88 59.01 2e7n h LEU 106 Cb 0.39 -0.02 -0.16 0.00 0.37 0.00 0.00 40.66 41.24 2e7n h LEU 106 CO -0.75 0.24 0.26 -0.61 -0.34 0.00 0.00 178.44 177.24 2e7n h GLN 107 N -0.08 0.15 -0.81 1.25 5.75 0.81 0.65 115.11 122.84 2e7n h GLN 107 Ca 0.02 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2e7n h GLN 107 Cb 0.18 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.64 2e7n h GLN 107 CO -0.00 0.10 0.50 0.22 -2.65 0.00 0.00 178.83 176.99 2e7n h ASP 108 N 0.15 0.79 -0.57 -0.69 3.58 -0.86 0.12 116.42 118.94 2e7n h ASP 108 Ca 0.61 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.99 2e7n h ASP 108 Cb 1.33 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2e7n h ASP 108 CO -0.72 0.52 0.03 0.58 -2.88 0.00 0.00 179.24 176.77 2e7n h VAL 109 N 0.93 1.26 -0.26 2.25 2.07 0.26 -2.01 116.25 120.75 2e7n h VAL 109 Ca 0.34 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 2e7n h VAL 109 Cb 0.12 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2e7n h VAL 109 CO -0.15 0.39 -0.32 0.15 0.02 0.00 0.00 177.57 177.66 2e7n h PHE 110 N 0.88 0.64 0.59 1.57 3.04 -0.60 -2.46 116.94 120.60 2e7n h PHE 110 Ca 0.17 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 2e7n h PHE 110 Cb 0.51 -0.15 0.01 0.00 2.56 0.00 0.00 35.95 38.88 2e7n h PHE 110 CO 0.04 0.81 -0.28 0.93 -2.02 0.00 0.00 178.31 177.78 2e7n h GLU 111 N 0.48 -0.76 -0.63 1.11 5.08 -0.59 -2.35 114.58 116.91 2e7n h GLU 111 Ca 0.06 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2e7n h GLU 111 Cb 0.78 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 30.10 2e7n h GLU 111 CO 0.06 -0.51 0.00 0.00 -1.00 0.00 0.00 179.01 177.57 2e7n h MET 112 N -1.02 0.11 0.23 2.33 -0.00 -1.44 -2.05 114.93 113.09 2e7n h MET 112 Ca -0.08 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2e7n h MET 112 Cb 0.61 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.14 2e7n h MET 112 CO 0.13 0.08 -0.52 0.00 -0.00 0.00 0.00 176.91 176.60 2e7n h ARG 113 N 0.12 -0.79 -0.95 -0.10 2.47 -1.47 0.47 114.38 114.13 2e7n h ARG 113 Ca 0.33 0.05 0.26 0.00 -1.26 0.00 0.00 59.98 59.36 2e7n h ARG 113 Cb 0.54 0.18 -0.14 0.00 -1.65 0.00 0.00 29.97 28.90 2e7n h ARG 113 CO -0.54 -0.53 0.45 0.35 0.56 0.00 0.00 179.97 180.26 2e7n h PHE 114 N -0.82 0.74 0.07 3.04 3.57 -0.82 -0.05 116.94 122.66 2e7n h PHE 114 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2e7n h PHE 114 Cb 0.79 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2e7n h PHE 114 CO -0.39 -0.10 -0.03 0.00 -2.23 0.00 0.00 178.31 175.55 2e7n h ALA 115 N 1.77 -0.09 -0.95 2.41 0.00 -0.65 -3.04 119.26 118.71 2e7n h ALA 115 Ca 0.63 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.68 2e7n h ALA 115 Cb 1.29 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2e7n h ALA 115 CO -0.57 -0.41 0.36 0.87 0.00 0.00 0.00 179.25 179.50 2e7n h LYS 116 N -0.37 0.19 0.00 0.00 1.79 0.10 -3.52 116.57 114.77 2e7n h LYS 116 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2e7n h LYS 116 Cb 0.32 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2e7n h LYS 116 CO 0.02 0.13 0.00 -0.12 -1.08 0.00 0.00 179.45 178.39