#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n n SER 2 N 0.00 4.87 -4.67 1.61 2.88 -1.26 -5.04 113.62 112.01 2e7n n SER 2 Ca 0.00 -3.74 -0.43 0.00 -1.33 0.00 0.00 58.87 53.38 2e7n n SER 2 Cb 0.00 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 2e7n n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e7n s SER 3 N -3.59 6.97 -0.56 -3.46 0.01 -1.26 -4.93 113.70 106.88 2e7n s SER 3 Ca 0.50 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 59.53 2e7n s SER 3 Cb 0.41 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 64.19 2e7n s SER 3 CO -0.01 -0.69 2.65 0.61 0.41 0.00 0.00 173.24 176.22 2e7n n GLY 4 N 3.53 4.56 4.47 3.44 0.00 -1.26 -4.78 105.19 115.14 2e7n n GLY 4 Ca 0.13 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2e7n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7n n SER 5 N 0.76 -2.20 -4.65 1.61 7.64 -1.26 -4.82 113.62 110.70 2e7n n SER 5 Ca 0.50 -1.19 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 2e7n n SER 5 Cb 0.49 -1.88 -0.02 0.00 -1.01 0.00 0.00 64.21 61.79 2e7n n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e7n s SER 6 N -3.25 6.80 0.08 6.43 1.04 -1.26 -5.01 113.70 118.53 2e7n s SER 6 Ca 0.82 1.75 0.05 0.00 0.48 0.00 0.00 55.95 59.04 2e7n s SER 6 Cb -0.47 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.08 2e7n s SER 6 CO 1.00 -0.88 -0.12 -0.83 0.98 0.00 0.00 173.24 173.39 2e7n s GLY 7 N 2.58 0.86 0.00 7.32 0.00 -1.26 -4.63 107.32 112.18 2e7n s GLY 7 Ca 0.61 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2e7n s GLY 7 CO 0.20 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2e7n n GLY 8 N 0.99 2.77 3.95 0.20 0.00 -1.26 -5.11 105.19 106.72 2e7n n GLY 8 Ca -0.19 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 1.68 1.96 1.06 1.61 3.01 -1.26 -4.91 119.74 122.89 2e7n s LYS 9 Ca 0.00 -0.53 -0.17 0.00 -1.01 0.00 0.00 55.97 54.26 2e7n s LYS 9 Cb 0.00 -2.21 0.07 0.00 -1.01 0.00 0.00 37.83 34.68 2e7n s LYS 9 CO 0.00 -1.34 0.09 1.28 0.51 0.00 0.00 175.35 175.89 2e7n n LEU 10 N -2.92 -1.68 -4.22 3.17 4.77 -1.26 -4.99 117.00 109.87 2e7n n LEU 10 Ca 0.10 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 2e7n n LEU 10 Cb 0.60 -1.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 2e7n n LEU 10 CO 0.48 -3.33 -0.42 -0.55 -1.33 0.00 0.00 177.39 172.25 2e7n s SER 11 N -1.86 1.70 0.47 -1.43 0.15 -1.26 -4.94 113.70 106.53 2e7n s SER 11 Ca 0.55 -0.91 0.33 0.00 0.70 0.00 0.00 55.95 56.62 2e7n s SER 11 Cb -0.15 -0.01 1.45 0.00 -1.71 0.00 0.00 66.02 65.61 2e7n s SER 11 CO 0.67 -0.28 1.68 1.05 1.20 0.00 0.00 173.24 177.55 2e7n h GLU 12 N 3.16 0.10 0.00 5.44 -0.00 -2.00 0.23 114.58 121.51 2e7n h GLU 12 Ca -0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 58.96 2e7n h GLU 12 Cb 1.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2e7n h GLU 12 CO 0.58 0.07 -0.33 0.45 -0.00 0.00 0.00 179.01 179.78 2e7n h HIS 13 N 0.11 0.00 -0.57 2.06 3.86 -2.01 -3.38 115.15 115.21 2e7n h HIS 13 Ca 0.75 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 60.07 2e7n h HIS 13 Cb 2.55 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.91 2e7n h HIS 13 CO -0.00 0.27 -0.28 1.25 0.86 0.00 0.00 177.93 180.02 2e7n h LEU 14 N -1.00 -0.97 -0.78 2.43 5.85 -1.64 -1.12 115.31 118.08 2e7n h LEU 14 Ca -0.04 0.21 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2e7n h LEU 14 Cb 0.44 0.51 -0.13 0.00 0.37 0.00 0.00 40.66 41.85 2e7n h LEU 14 CO -0.02 -0.28 -0.28 0.54 -0.34 0.00 0.00 178.44 178.05 2e7n n ARG 15 N -5.43 -0.16 -0.19 1.25 1.74 0.71 0.15 116.66 114.73 2e7n n ARG 15 Ca 0.05 1.20 -0.07 0.00 -0.77 0.00 0.00 57.85 58.26 2e7n n ARG 15 Cb 0.35 -1.78 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.70 -0.76 -1.55 5.03 -1.38 -2.61 116.97 116.40 2e7n h TYR 16 Ca 0.29 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.65 2e7n h TYR 16 Cb 0.48 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.48 2e7n h TYR 16 CO -0.67 0.47 0.47 0.00 -1.32 0.00 0.00 178.16 177.12 2e7n h ASP 18 N 0.88 0.15 0.01 0.00 3.58 -0.39 0.16 116.42 120.81 2e7n h ASP 18 Ca 0.32 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 2e7n h ASP 18 Cb 0.10 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2e7n h ASP 18 CO -0.15 -0.07 -0.00 0.28 -2.88 0.00 0.00 179.24 176.42 2e7n h SER 19 N 0.07 -0.01 -1.62 2.28 0.02 -1.39 -3.18 113.55 109.72 2e7n h SER 19 Ca 0.79 -0.83 0.47 0.00 -0.84 0.00 0.00 61.79 61.38 2e7n h SER 19 Cb 2.76 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 65.24 2e7n h SER 19 CO -0.22 0.88 1.29 -0.38 -1.14 0.00 0.00 176.83 177.26 2e7n n ILE 20 N -4.66 0.00 0.01 3.27 5.41 0.54 0.16 119.36 124.10 2e7n n ILE 20 Ca -0.09 1.34 -0.21 0.00 1.00 0.00 0.00 62.75 64.79 2e7n n ILE 20 Cb 0.40 -2.27 -0.14 0.00 -0.71 0.00 0.00 39.64 36.92 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 0.37 -0.65 1.39 5.85 -1.57 -3.22 115.31 117.48 2e7n h LEU 21 Ca 0.77 -0.86 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2e7n h LEU 21 Cb 3.34 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 44.21 2e7n h LEU 21 CO -0.01 1.55 0.41 0.08 -0.34 0.00 0.00 178.44 180.13 2e7n h ARG 22 N -0.37 0.79 -0.48 1.25 0.11 0.16 -2.41 114.38 113.43 2e7n h ARG 22 Ca -0.26 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 2e7n h ARG 22 Cb 1.70 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 32.57 2e7n h ARG 22 CO 0.06 0.52 0.30 1.05 0.10 0.00 0.00 179.97 182.00 2e7n h GLU 23 N 0.81 0.65 -0.16 0.08 4.11 -1.19 -1.93 114.58 116.95 2e7n h GLU 23 Ca 0.26 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.68 2e7n h GLU 23 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2e7n h GLU 23 CO -0.09 0.46 0.12 0.52 0.07 0.00 0.00 179.01 180.09 2e7n h MET 24 N 0.64 0.00 -1.29 1.06 2.86 -1.46 -1.28 114.93 115.47 2e7n h MET 24 Ca 0.17 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.58 2e7n h MET 24 Cb -0.03 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.52 2e7n h MET 24 CO -0.03 0.00 0.30 1.28 1.06 0.00 0.00 176.91 179.51 2e7n n LEU 25 N -4.47 5.32 -4.90 1.22 4.77 -0.72 -4.40 117.00 113.81 2e7n n LEU 25 Ca 0.01 -2.71 -0.25 0.00 -0.03 0.00 0.00 56.01 53.03 2e7n n LEU 25 Cb 0.25 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.46 2e7n n LEU 25 CO 0.35 0.94 -0.13 -0.55 -1.33 0.00 0.00 177.39 176.66 2e7n s SER 26 N 0.31 6.04 0.21 -1.43 0.15 -0.48 -4.96 113.70 113.53 2e7n s SER 26 Ca 0.23 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.84 2e7n s SER 26 Cb 0.19 -1.74 0.28 0.00 -1.71 0.00 0.00 66.02 63.05 2e7n s SER 26 CO 0.02 0.04 1.76 0.11 1.20 0.00 0.00 173.24 176.37 2e7n h LYS 27 N 2.10 0.46 0.21 5.44 1.79 -1.90 0.45 116.57 125.12 2e7n h LYS 27 Ca -0.49 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 57.96 2e7n h LYS 27 Cb 1.20 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 2e7n h LYS 27 CO 0.66 0.30 -0.52 -0.22 -1.08 0.00 0.00 179.45 178.59 2e7n h LYS 28 N 0.47 -0.78 -0.15 3.15 3.64 -1.95 -1.96 116.57 118.99 2e7n h LYS 28 Ca 0.31 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2e7n h LYS 28 Cb 0.35 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2e7n h LYS 28 CO -0.28 -0.52 -0.17 0.45 -2.27 0.00 0.00 179.45 176.65 2e7n h HIS 29 N -0.81 0.27 -0.79 1.91 3.86 -1.77 -3.09 115.15 114.74 2e7n h HIS 29 Ca -0.02 -0.04 0.26 0.00 -1.16 0.00 0.00 60.37 59.41 2e7n h HIS 29 Cb 0.78 -0.07 -0.15 0.00 1.06 0.00 0.00 27.41 29.03 2e7n h HIS 29 CO -0.40 0.43 0.17 0.00 0.86 0.00 0.00 177.93 178.98 2e7n n ALA 30 N -2.49 0.55 -0.31 2.45 0.00 0.16 0.10 120.51 120.97 2e7n n ALA 30 Ca -0.01 0.83 0.10 0.00 0.00 0.00 0.00 53.44 54.36 2e7n n ALA 30 Cb 0.31 -0.69 0.22 0.00 0.00 0.00 0.00 19.45 19.29 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 1.58 0.95 -0.02 0.00 0.00 -1.57 0.11 119.26 120.31 2e7n h ALA 31 Ca 0.55 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.76 2e7n h ALA 31 Cb 1.28 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2e7n h ALA 31 CO -0.69 -0.48 -0.08 2.48 0.00 0.00 0.00 179.25 180.47 2e7n n TYR 32 N -5.44 0.07 -0.11 0.00 0.18 0.28 -4.55 117.16 107.60 2e7n n TYR 32 Ca 0.18 -1.09 0.00 0.00 1.88 0.00 0.00 57.90 58.88 2e7n n TYR 32 Cb 0.61 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 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 -1.33 1.86 0.08 -3.48 0.00 0.12 -4.34 120.51 113.42 2e7n n ALA 33 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 2e7n n ALA 33 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 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 0.07 0.00 0.00 5.08 -1.09 -3.16 115.95 116.86 2e7n h TRP 34 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.93 2e7n h TRP 34 Cb 0.05 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 2e7n h TRP 34 CO 0.00 0.92 0.58 -1.35 -1.28 0.00 0.00 178.44 177.31 2e7n h PRO 35 N 0.02 0.00 0.00 0.12 0.11 -1.83 0.31 132.00 130.73 2e7n h PRO 35 Ca -0.02 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.83 2e7n h PRO 35 Cb 1.58 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.64 2e7n h PRO 35 CO 0.12 0.00 -1.97 1.19 -0.21 0.00 0.00 178.00 177.14 2e7n n PHE 36 N -2.65 0.00 -0.29 0.65 3.01 -1.21 -4.64 117.46 112.33 2e7n n PHE 36 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 2e7n n PHE 36 Cb 0.61 -0.69 -0.03 0.00 -0.01 0.00 0.00 39.48 39.36 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 -2.53 -0.17 -4.01 1.38 4.02 0.11 -4.15 117.16 111.81 2e7n n TYR 37 Ca -0.23 0.90 -0.32 0.00 -0.01 0.00 0.00 57.90 58.23 2e7n n TYR 37 Cb 0.96 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 39.57 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 -5.51 3.18 1.23 -0.72 1.02 -1.24 -4.46 119.74 113.24 2e7n s LYS 38 Ca -0.09 -0.49 -0.20 0.00 0.02 0.00 0.00 55.97 55.21 2e7n s LYS 38 Cb 0.11 -2.92 0.30 0.00 -0.52 0.00 0.00 37.83 34.80 2e7n s LYS 38 CO 0.48 0.63 1.11 -1.25 -0.92 0.00 0.00 175.35 175.40 2e7n s PRO 39 N -2.06 -1.45 -0.26 -1.68 0.04 -1.26 -4.97 135.00 123.36 2e7n s PRO 39 Ca 0.27 -0.14 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 2e7n s PRO 39 Cb -0.12 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2e7n s PRO 39 CO 0.19 -3.85 0.14 0.54 0.04 0.00 0.00 177.00 174.06 2e7n s VAL 40 N -3.01 4.95 -0.90 -0.36 0.11 -1.26 -5.04 120.40 114.90 2e7n s VAL 40 Ca 0.72 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.73 2e7n s VAL 40 Cb -0.08 -3.33 0.23 0.00 -1.53 0.00 0.00 36.38 31.66 2e7n s VAL 40 CO 0.56 0.31 0.82 -0.62 -3.33 0.00 0.00 175.10 172.84 2e7n s ASP 41 N 1.51 6.53 0.32 3.54 2.15 -1.26 -4.90 116.67 124.57 2e7n s ASP 41 Ca 0.07 -3.21 0.10 0.00 0.43 0.00 0.00 52.55 49.93 2e7n s ASP 41 Cb -0.15 -2.09 0.89 0.00 -0.30 0.00 0.00 42.92 41.27 2e7n s ASP 41 CO 0.07 -0.37 1.74 0.00 -0.17 0.00 0.00 175.17 176.44 2e7n h ALA 42 N 6.95 1.82 0.53 3.66 0.00 -1.96 0.03 119.26 130.28 2e7n h ALA 42 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2e7n h ALA 42 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2e7n h ALA 42 CO 0.85 -0.28 -0.38 0.93 0.00 0.00 0.00 179.25 180.37 2e7n h GLU 43 N 0.59 -0.83 0.39 0.00 5.08 -1.95 -3.22 114.58 114.63 2e7n h GLU 43 Ca 0.63 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 2e7n h GLU 43 Cb 1.21 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 2e7n h GLU 43 CO -0.45 -0.56 -0.35 0.00 -1.00 0.00 0.00 179.01 176.65 2e7n h ALA 44 N -1.28 -0.79 -3.17 3.43 0.00 -1.81 -3.44 119.26 112.21 2e7n h ALA 44 Ca -0.07 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 2e7n h ALA 44 Cb 0.71 0.50 0.13 0.00 0.00 0.00 0.00 17.79 19.13 2e7n h ALA 44 CO 0.04 -0.97 0.02 1.28 0.00 0.00 0.00 179.25 179.61 2e7n n LEU 45 N -5.47 0.00 -2.90 0.00 4.77 -0.07 -4.97 117.00 108.36 2e7n n LEU 45 Ca -0.10 -0.68 -0.31 0.00 -0.03 0.00 0.00 56.01 54.89 2e7n n LEU 45 Cb 0.37 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2e7n n LEU 45 CO 0.29 -1.93 0.55 -0.62 -1.33 0.00 0.00 177.39 174.35 2e7n n GLU 46 N -3.87 3.59 -2.53 3.23 1.02 -1.26 -4.85 120.64 115.98 2e7n n GLU 46 Ca 0.09 -4.54 -0.30 0.00 -0.02 0.00 0.00 57.16 52.39 2e7n n GLU 46 Cb 0.38 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.50 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 -3.71 3.62 -0.22 -4.62 1.02 -1.26 -5.07 118.68 108.43 2e7n s LEU 47 Ca 0.48 1.19 0.02 0.00 0.02 0.00 0.00 54.13 55.83 2e7n s LEU 47 Cb 0.33 -4.13 0.05 0.00 0.02 0.00 0.00 46.19 42.45 2e7n s LEU 47 CO -0.19 -0.57 -0.12 -1.00 0.02 0.00 0.00 176.35 174.48 2e7n s HIS 48 N -2.68 2.81 -1.51 0.29 3.76 -1.26 -4.77 115.29 111.93 2e7n s HIS 48 Ca 0.52 -1.89 -0.05 0.00 -0.15 0.00 0.00 55.06 53.49 2e7n s HIS 48 Cb -0.10 -1.80 0.04 0.00 1.11 0.00 0.00 32.58 31.83 2e7n s HIS 48 CO 0.40 -0.81 0.44 -0.25 -0.85 0.00 0.00 174.74 173.67 2e7n n ASP 49 N 4.57 -0.85 0.00 1.40 9.92 -1.26 -4.89 116.55 125.44 2e7n n ASP 49 Ca -0.15 -1.05 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 2e7n n ASP 49 Cb 0.45 -2.74 0.00 0.00 -0.64 0.00 0.00 41.12 38.19 2e7n n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e7n n TYR 50 N -4.42 0.00 -0.32 1.24 9.36 -1.26 -2.87 117.16 118.89 2e7n n TYR 50 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 2e7n n TYR 50 Cb 0.64 -0.26 0.05 0.00 -0.63 0.00 0.00 39.34 39.13 2e7n n TYR 50 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2e7n n HIS 51 N -1.53 0.07 -0.30 2.98 8.25 -1.26 0.64 115.22 124.07 2e7n n HIS 51 Ca 0.00 1.03 0.08 0.00 -0.26 0.00 0.00 57.72 58.57 2e7n n HIS 51 Cb 0.00 -0.84 0.17 0.00 1.12 0.00 0.00 29.99 30.44 2e7n n HIS 51 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2e7n n ASP 52 N -5.25 -0.22 0.05 0.41 9.92 -1.14 0.27 116.55 120.59 2e7n n ASP 52 Ca 0.09 1.46 -0.20 0.00 -0.53 0.00 0.00 54.79 55.62 2e7n n ASP 52 Cb 0.35 -0.48 -0.13 0.00 -0.64 0.00 0.00 41.12 40.22 2e7n n ASP 52 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2e7n h ILE 53 N 0.00 1.41 -3.43 0.53 2.04 0.32 -3.42 117.51 114.96 2e7n h ILE 53 Ca 0.45 -2.38 -0.60 0.00 1.00 0.00 0.00 64.86 63.33 2e7n h ILE 53 Cb 0.80 2.87 -0.11 0.00 -0.74 0.00 0.00 36.82 39.65 2e7n h ILE 53 CO -0.85 0.70 0.63 -0.63 0.00 0.00 0.00 178.15 178.00 2e7n s ILE 54 N -2.83 4.38 0.05 -0.67 -1.09 0.14 -4.94 121.20 116.24 2e7n s ILE 54 Ca -0.12 0.60 -0.34 0.00 -2.23 0.00 0.00 60.65 58.56 2e7n s ILE 54 Cb 0.03 -4.52 -0.19 0.00 -1.58 0.00 0.00 42.46 36.21 2e7n s ILE 54 CO 0.86 -1.01 1.45 0.11 -1.23 0.00 0.00 174.94 175.12 2e7n h LYS 55 N 9.23 -1.17 -3.03 2.79 1.79 -1.83 -3.41 116.57 120.94 2e7n h LYS 55 Ca -0.25 0.08 -0.58 0.00 -2.18 0.00 0.00 60.65 57.72 2e7n h LYS 55 Cb 1.07 0.27 -0.40 0.00 -1.58 0.00 0.00 32.23 31.59 2e7n h LYS 55 CO 1.07 -0.78 -0.78 -1.01 -1.08 0.00 0.00 179.45 176.88 2e7n s HIS 56 N -5.56 1.29 0.08 -1.35 3.76 -1.26 -5.05 115.29 107.20 2e7n s HIS 56 Ca -0.18 -1.74 -0.31 0.00 -0.15 0.00 0.00 55.06 52.68 2e7n s HIS 56 Cb 0.02 -1.42 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 2e7n s HIS 56 CO 0.53 -0.83 1.39 -1.25 -0.85 0.00 0.00 174.74 173.72 2e7n s PRO 57 N 1.23 4.32 0.22 8.40 0.04 -1.26 -4.88 135.00 143.07 2e7n s PRO 57 Ca 0.14 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.27 2e7n s PRO 57 Cb -0.20 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 2e7n s PRO 57 CO -0.14 -0.47 -0.10 1.41 0.04 0.00 0.00 177.00 177.75 2e7n s MET 58 N 1.47 1.36 0.21 4.56 1.75 -1.26 -5.06 119.30 122.33 2e7n s MET 58 Ca 0.64 -1.63 -0.13 0.00 -1.25 0.00 0.00 55.69 53.32 2e7n s MET 58 Cb -0.35 -1.01 0.00 0.00 2.84 0.00 0.00 34.83 36.31 2e7n s MET 58 CO 0.29 0.10 0.44 0.16 -0.65 0.00 0.00 175.02 175.36 2e7n s ASP 59 N -3.33 -0.10 0.17 1.11 -4.77 -1.26 -4.65 116.67 103.84 2e7n s ASP 59 Ca 0.24 -0.80 -0.14 0.00 -3.30 0.00 0.00 52.55 48.55 2e7n s ASP 59 Cb 0.02 0.54 0.06 0.00 -1.09 0.00 0.00 42.92 42.45 2e7n s ASP 59 CO 0.08 -1.05 1.84 -0.07 0.70 0.00 0.00 175.17 176.66 2e7n h LEU 60 N 2.32 0.61 -1.11 2.11 3.38 -1.88 -2.29 115.31 118.45 2e7n h LEU 60 Ca -0.28 -0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.02 2e7n h LEU 60 Cb 1.25 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2e7n h LEU 60 CO 0.39 0.44 0.63 -1.28 0.09 0.00 0.00 178.44 178.71 2e7n h SER 61 N 0.72 0.44 0.04 -0.43 0.87 -1.81 0.22 113.55 113.59 2e7n h SER 61 Ca 0.19 0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2e7n h SER 61 Cb -0.08 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2e7n h SER 61 CO -0.04 -0.17 -0.55 0.74 -0.53 0.00 0.00 176.83 176.29 2e7n h THR 62 N 0.24 1.50 -0.12 2.23 2.02 -1.82 -3.13 112.91 113.83 2e7n h THR 62 Ca 0.76 -2.19 0.04 0.00 0.77 0.00 0.00 66.41 65.79 2e7n h THR 62 Cb 1.91 2.84 -0.06 0.00 -1.74 0.00 0.00 68.15 71.10 2e7n h THR 62 CO -0.57 0.62 -0.41 0.58 0.37 0.00 0.00 175.52 176.12 2e7n h VAL 63 N -0.32 0.17 -0.07 3.16 2.07 -0.24 0.48 116.25 121.49 2e7n h VAL 63 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2e7n h VAL 63 Cb 1.31 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2e7n h VAL 63 CO 0.11 0.00 -0.28 0.50 0.02 0.00 0.00 177.57 177.91 2e7n h LYS 64 N -0.49 -0.37 -0.31 1.57 3.64 -1.33 0.72 116.57 120.00 2e7n h LYS 64 Ca 0.08 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2e7n h LYS 64 Cb 0.62 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.45 2e7n h LYS 64 CO -0.38 -0.25 -0.24 0.00 -2.27 0.00 0.00 179.45 176.31 2e7n h ARG 65 N -0.39 -0.21 -0.02 1.90 2.47 -1.38 0.29 114.38 117.04 2e7n h ARG 65 Ca 0.08 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2e7n h ARG 65 Cb 0.51 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 2e7n h ARG 65 CO -0.29 -0.14 -0.13 0.87 0.56 0.00 0.00 179.97 180.85 2e7n h LYS 66 N -0.22 -0.19 -0.88 0.04 1.57 -0.44 -2.26 116.57 114.19 2e7n h LYS 66 Ca 0.16 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2e7n h LYS 66 Cb 0.46 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 2e7n h LYS 66 CO -0.43 -0.13 0.54 1.98 -0.57 0.00 0.00 179.45 180.84 2e7n h MET 67 N -0.20 0.95 -0.68 3.15 4.05 -0.20 -0.86 114.93 121.13 2e7n h MET 67 Ca 0.05 -0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.55 2e7n h MET 67 Cb 0.27 -0.21 -0.10 0.00 -0.80 0.00 0.00 31.60 30.76 2e7n h MET 67 CO -0.14 0.63 0.18 -0.44 0.23 0.00 0.00 176.91 177.37 2e7n h ASP 68 N 0.98 0.07 -0.44 1.39 3.32 0.14 0.17 116.42 122.04 2e7n h ASP 68 Ca 0.39 0.12 -0.22 0.00 0.02 0.00 0.00 57.03 57.35 2e7n h ASP 68 Cb 0.21 0.15 -0.13 0.00 0.22 0.00 0.00 39.33 39.78 2e7n h ASP 68 CO -0.19 0.02 0.27 0.61 -1.72 0.00 0.00 179.24 178.23 2e7n n GLY 69 N -1.33 3.05 2.96 2.75 0.00 -0.78 -4.84 105.19 107.00 2e7n n GLY 69 Ca 0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.20 -2.58 -0.35 1.61 5.12 0.59 -4.77 116.66 116.07 2e7n n ARG 70 Ca 0.26 0.21 0.06 0.00 -1.93 0.00 0.00 57.85 56.45 2e7n n ARG 70 Cb 1.01 -4.78 0.23 0.00 -1.16 0.00 0.00 32.46 27.76 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 -0.31 1.01 -6.31 5.56 4.39 -1.36 -3.41 114.58 114.16 2e7n h GLU 71 Ca -0.22 -0.06 -0.55 0.00 0.34 0.00 0.00 59.36 58.87 2e7n h GLU 71 Cb 1.15 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2e7n h GLU 71 CO 0.30 0.67 0.58 0.71 -1.16 0.00 0.00 179.01 180.10 2e7n s TYR 72 N -5.96 3.44 0.31 4.33 2.02 -1.26 -4.93 117.35 115.29 2e7n s TYR 72 Ca -0.12 1.48 0.14 0.00 -0.37 0.00 0.00 57.07 58.20 2e7n s TYR 72 Cb 0.21 -3.26 0.64 0.00 -0.40 0.00 0.00 41.96 39.15 2e7n s TYR 72 CO 0.81 -0.57 1.75 -1.00 -1.57 0.00 0.00 175.55 174.98 2e7n h PRO 73 N 7.14 0.00 -2.46 -1.71 0.13 -1.82 -3.46 132.00 129.82 2e7n h PRO 73 Ca -0.34 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.95 2e7n h PRO 73 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2e7n h PRO 73 CO 0.85 0.44 0.48 0.16 -0.23 0.00 0.00 178.00 179.69 2e7n s ASP 74 N -6.77 -0.12 0.35 1.44 -4.77 -1.26 -4.83 116.67 100.70 2e7n s ASP 74 Ca -0.02 -0.53 0.13 0.00 -3.30 0.00 0.00 52.55 48.83 2e7n s ASP 74 Cb 0.13 0.53 1.12 0.00 -1.09 0.00 0.00 42.92 43.61 2e7n s ASP 74 CO 0.72 -1.00 1.58 0.00 0.70 0.00 0.00 175.17 177.17 2e7n h ALA 75 N 2.00 1.78 -0.24 2.11 0.00 -1.91 0.30 119.26 123.30 2e7n h ALA 75 Ca -0.25 0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2e7n h ALA 75 Cb 1.23 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2e7n h ALA 75 CO 0.29 -0.81 -0.45 1.96 0.00 0.00 0.00 179.25 180.24 2e7n h GLN 76 N 0.00 -0.37 -0.42 0.00 1.08 -1.99 0.12 115.11 113.54 2e7n h GLN 76 Ca 0.75 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 58.06 2e7n h GLN 76 Cb 1.85 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 29.29 2e7n h GLN 76 CO -0.83 -0.25 -0.04 0.78 -0.95 0.00 0.00 178.83 177.54 2e7n h GLY 77 N -0.38 0.37 0.34 3.46 0.00 -1.33 0.13 103.07 105.66 2e7n h GLY 77 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2e7n h GLY 77 CO -0.43 -0.13 -0.22 -2.75 0.00 0.00 0.00 176.54 173.01 2e7n h PHE 78 N 0.06 -0.57 -0.39 5.60 3.57 -1.10 -2.39 116.94 121.72 2e7n h PHE 78 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2e7n h PHE 78 Cb 0.30 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2e7n h PHE 78 CO -0.31 -0.30 0.24 0.00 -2.23 0.00 0.00 178.31 175.71 2e7n h ALA 79 N 0.70 0.49 -0.30 2.41 0.00 -0.27 -3.03 119.26 119.26 2e7n h ALA 79 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2e7n h ALA 79 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2e7n h ALA 79 CO -0.29 -0.03 -0.18 0.00 0.00 0.00 0.00 179.25 178.76 2e7n n ALA 80 N -2.22 -0.19 0.24 0.00 0.00 0.42 -1.22 120.51 117.54 2e7n n ALA 80 Ca 0.00 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 2e7n n ALA 80 Cb 0.04 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.36 -0.40 0.00 5.19 -1.53 -1.61 116.42 116.71 2e7n h ASP 81 Ca 0.05 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2e7n h ASP 81 Cb 0.12 0.47 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 2e7n h ASP 81 CO -0.28 -0.61 -0.24 0.52 -3.12 0.00 0.00 179.24 175.51 2e7n n VAL 82 N -5.53 -0.27 -0.30 -1.35 0.31 -0.36 0.14 118.33 110.97 2e7n n VAL 82 Ca -0.11 1.37 0.01 0.00 -0.01 0.00 0.00 64.34 65.61 2e7n n VAL 82 Cb 0.44 -1.74 0.14 0.00 -0.91 0.00 0.00 33.84 31.77 2e7n n VAL 82 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2e7n h ARG 83 N 0.00 0.91 -0.28 5.55 3.08 -1.11 -2.28 114.38 120.25 2e7n h ARG 83 Ca 0.06 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2e7n h ARG 83 Cb 0.16 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2e7n h ARG 83 CO -0.38 0.60 0.01 1.25 -1.07 0.00 0.00 179.97 180.39 2e7n h LEU 84 N 0.94 -0.08 -0.68 3.04 7.12 0.22 0.20 115.31 126.08 2e7n h LEU 84 Ca 0.37 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.50 2e7n h LEU 84 Cb 0.18 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 2e7n h LEU 84 CO -0.18 -0.01 0.38 -0.03 -0.13 0.00 0.00 178.44 178.47 2e7n h MET 85 N 0.10 0.66 0.49 1.25 4.05 0.11 -2.96 114.93 118.64 2e7n h MET 85 Ca 0.13 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 2e7n h MET 85 Cb 0.17 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 2e7n h MET 85 CO -0.21 0.44 -0.23 0.74 0.23 0.00 0.00 176.91 177.87 2e7n h PHE 86 N 0.68 -0.61 -0.67 1.39 0.04 -0.95 -3.22 116.94 113.60 2e7n h PHE 86 Ca 0.31 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.19 2e7n h PHE 86 Cb 0.22 0.20 -0.12 0.00 2.20 0.00 0.00 35.95 38.44 2e7n h PHE 86 CO -0.08 -0.28 -0.19 0.43 -0.60 0.00 0.00 178.31 177.58 2e7n n SER 87 N -5.26 -0.30 -0.15 2.17 7.64 0.66 0.21 113.62 118.59 2e7n n SER 87 Ca -0.10 1.16 -0.03 0.00 1.01 0.00 0.00 58.87 60.91 2e7n n SER 87 Cb 0.31 -0.33 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 2e7n n SER 87 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2e7n h ASN 88 N 0.00 -0.01 0.00 6.43 2.35 -1.53 -0.85 115.58 121.97 2e7n h ASN 88 Ca 0.30 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2e7n h ASN 88 Cb 0.47 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2e7n h ASN 88 CO -0.69 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.12 2e7n h TYR 90 N 0.00 0.88 -0.93 0.00 0.05 -1.59 -0.43 116.97 114.95 2e7n h TYR 90 Ca 0.00 -0.21 0.31 0.00 0.05 0.00 0.00 58.73 58.87 2e7n h TYR 90 Cb 0.00 -0.21 -0.17 0.00 1.01 0.00 0.00 36.73 37.36 2e7n h TYR 90 CO -0.59 0.94 0.20 1.17 -1.05 0.00 0.00 178.16 178.84 2e7n n LYS 91 N -4.30 -0.07 0.00 4.88 0.00 0.23 -3.38 118.16 115.52 2e7n n LYS 91 Ca -0.02 1.35 0.00 0.00 0.00 0.00 0.00 58.31 59.64 2e7n n LYS 91 Cb 0.40 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.18 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 -5.27 0.00 -1.50 5.64 9.36 -0.10 -4.99 117.16 120.31 2e7n n TYR 92 Ca 0.27 0.00 -0.49 0.00 3.32 0.00 0.00 57.90 60.99 2e7n n TYR 92 Cb 0.90 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.57 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 -2.43 0.16 -4.73 2.98 3.02 -0.18 -4.92 115.26 109.16 2e7n n ASN 93 Ca 0.00 1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 55.40 2e7n n ASN 93 Cb 0.00 -1.08 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 -0.75 1.39 0.00 3.52 0.04 -1.26 -4.53 135.00 133.41 2e7n s PRO 94 Ca 0.70 0.86 0.16 0.00 0.04 0.00 0.00 61.00 62.76 2e7n s PRO 94 Cb -0.92 -1.82 0.93 0.00 0.04 0.00 0.00 34.50 32.72 2e7n s PRO 94 CO 0.56 -2.16 1.34 -0.35 0.04 0.00 0.00 177.00 176.43 2e7n n PRO 95 N -3.83 0.48 -0.12 0.56 -0.04 -1.26 -2.85 135.00 127.94 2e7n n PRO 95 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2e7n n PRO 95 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.01 2.03 -4.25 3.54 9.92 -1.26 -4.97 116.55 120.55 2e7n n ASP 96 Ca 0.12 0.04 -0.61 0.00 -0.53 0.00 0.00 54.79 53.81 2e7n n ASP 96 Cb 0.05 -0.51 -0.09 0.00 -0.64 0.00 0.00 41.12 39.93 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 -3.54 1.52 -0.34 1.24 -0.00 -1.13 -4.77 115.22 108.20 2e7n n HIS 97 Ca -0.44 1.00 0.12 0.00 0.46 0.00 0.00 57.72 58.85 2e7n n HIS 97 Cb 0.91 -2.03 0.31 0.00 -0.12 0.00 0.00 29.99 29.06 2e7n n HIS 97 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 2e7n h GLU 98 N 5.01 0.72 -1.20 1.57 4.11 -1.93 0.10 114.58 122.97 2e7n h GLU 98 Ca -0.36 -0.04 0.34 0.00 0.07 0.00 0.00 59.36 59.37 2e7n h GLU 98 Cb 1.25 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 2e7n h GLU 98 CO 0.90 0.47 0.82 -0.24 0.07 0.00 0.00 179.01 181.04 2e7n h VAL 99 N 0.74 0.39 -0.49 -1.06 3.04 -1.96 0.21 116.25 117.12 2e7n h VAL 99 Ca 0.56 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 66.24 2e7n h VAL 99 Cb 0.87 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 2e7n h VAL 99 CO -0.38 0.03 0.25 0.58 -1.01 0.00 0.00 177.57 177.03 2e7n h VAL 100 N 0.14 0.97 -0.76 1.51 2.07 -1.10 -0.30 116.25 118.79 2e7n h VAL 100 Ca 0.62 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.99 2e7n h VAL 100 Cb 2.13 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2e7n h VAL 100 CO -0.15 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.02 2e7n h ALA 101 N 1.26 0.98 -0.46 1.67 0.00 -0.72 -2.60 119.26 119.40 2e7n h ALA 101 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2e7n h ALA 101 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2e7n h ALA 101 CO -0.14 0.34 0.05 0.52 0.00 0.00 0.00 179.25 180.02 2e7n h MET 102 N 0.99 0.77 -1.00 0.00 2.86 -1.32 -2.88 114.93 114.36 2e7n h MET 102 Ca 0.29 -0.22 0.25 0.00 -2.06 0.00 0.00 59.70 57.96 2e7n h MET 102 Cb -0.06 -0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.39 2e7n h MET 102 CO -0.08 0.80 0.59 0.00 1.06 0.00 0.00 176.91 179.28 2e7n h ALA 103 N 0.94 1.80 0.55 6.32 0.00 -0.67 -1.85 119.26 126.35 2e7n h ALA 103 Ca 0.14 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2e7n h ALA 103 Cb 0.42 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2e7n h ALA 103 CO 0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.70 2e7n h ARG 104 N 0.55 -0.71 -0.72 0.00 3.08 -1.39 -2.78 114.38 112.40 2e7n h ARG 104 Ca 0.65 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.85 2e7n h ARG 104 Cb 1.27 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 31.37 2e7n h ARG 104 CO -0.49 -0.41 -0.31 1.63 -1.07 0.00 0.00 179.97 179.31 2e7n n LYS 105 N -5.29 -0.20 0.06 0.04 5.02 -0.72 0.82 118.16 117.89 2e7n n LYS 105 Ca -0.11 1.11 -0.12 0.00 -2.02 0.00 0.00 58.31 57.17 2e7n n LYS 105 Cb 0.32 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 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 -0.16 -1.25 -0.35 5.85 -1.55 -2.31 115.31 115.54 2e7n h LEU 106 Ca 0.22 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.10 2e7n h LEU 106 Cb 0.40 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2e7n h LEU 106 CO -0.71 -0.09 0.58 -0.61 -0.34 0.00 0.00 178.44 177.27 2e7n h GLN 107 N -0.12 0.73 -0.30 1.25 4.15 0.71 0.10 115.11 121.63 2e7n h GLN 107 Ca 0.01 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.45 2e7n h GLN 107 Cb 0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2e7n h GLN 107 CO -0.04 0.48 0.21 -0.44 -1.93 0.00 0.00 178.83 177.11 2e7n h ASP 108 N 0.75 0.11 0.14 -0.69 3.32 0.17 0.25 116.42 120.47 2e7n h ASP 108 Ca 0.44 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.29 2e7n h ASP 108 Cb 0.64 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.18 2e7n h ASP 108 CO -0.20 0.07 -0.92 0.58 -1.72 0.00 0.00 179.24 177.05 2e7n h VAL 109 N 0.13 1.43 0.00 -1.35 2.07 -0.71 -2.93 116.25 114.89 2e7n h VAL 109 Ca 0.14 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 2e7n h VAL 109 Cb 0.38 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 2e7n h VAL 109 CO -0.02 0.71 -0.19 0.15 0.02 0.00 0.00 177.57 178.24 2e7n h PHE 110 N -0.36 0.00 0.02 1.57 3.04 -0.86 -2.24 116.94 118.11 2e7n h PHE 110 Ca -0.17 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.78 2e7n h PHE 110 Cb 1.66 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.17 2e7n h PHE 110 CO 0.19 0.19 -0.01 0.93 -2.02 0.00 0.00 178.31 177.59 2e7n h GLU 111 N 0.00 -0.02 -1.02 1.11 5.08 -0.60 -3.05 114.58 116.08 2e7n h GLU 111 Ca -0.00 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.63 2e7n h GLU 111 Cb 0.54 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 2e7n h GLU 111 CO 0.03 -0.01 0.61 0.00 -1.00 0.00 0.00 179.01 178.63 2e7n h MET 112 N -0.11 0.46 0.58 2.33 -0.00 -1.60 -1.10 114.93 115.49 2e7n h MET 112 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2e7n h MET 112 Cb 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.50 2e7n h MET 112 CO 0.00 0.30 -0.43 0.00 -0.00 0.00 0.00 176.91 176.79 2e7n h ARG 113 N 0.47 -0.94 -0.85 -0.10 2.47 -1.53 -1.26 114.38 112.64 2e7n h ARG 113 Ca 0.67 0.06 0.20 0.00 -1.26 0.00 0.00 59.98 59.65 2e7n h ARG 113 Cb 1.43 0.21 -0.12 0.00 -1.65 0.00 0.00 29.97 29.84 2e7n h ARG 113 CO -0.48 -0.63 0.32 0.35 0.56 0.00 0.00 179.97 180.09 2e7n h PHE 114 N -0.98 0.52 0.09 3.04 3.04 -1.09 -0.68 116.94 120.88 2e7n h PHE 114 Ca -0.07 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 2e7n h PHE 114 Cb 0.82 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.23 2e7n h PHE 114 CO -0.16 -0.06 -0.05 0.00 -2.02 0.00 0.00 178.31 176.02 2e7n h ALA 115 N 1.68 -0.13 -0.87 2.41 0.00 -1.06 -2.76 119.26 118.52 2e7n h ALA 115 Ca 0.51 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.62 2e7n h ALA 115 Cb 0.94 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 2e7n h ALA 115 CO -0.53 -0.57 0.15 0.87 0.00 0.00 0.00 179.25 179.18 2e7n h LYS 116 N -0.13 0.14 0.00 0.00 1.79 0.07 -3.52 116.57 114.92 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 0.10 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2e7n h LYS 116 CO 0.02 0.09 0.00 -0.12 -1.08 0.00 0.00 179.45 178.36