#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1e s LYS 2 N 0.00 4.05 -0.04 2.12 1.02 -1.26 -4.53 119.74 121.10 3h1e s LYS 2 Ca 0.00 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 55.75 3h1e s LYS 2 Cb 0.00 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3h1e s LYS 2 CO 0.00 0.03 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.80 3h1e s LEU 3 N 1.14 2.67 -0.22 3.17 1.43 -0.32 -0.48 118.68 126.08 3h1e s LEU 3 Ca 0.07 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3h1e s LEU 3 Cb -0.14 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3h1e s LEU 3 CO 0.05 0.34 -0.11 -0.22 0.23 0.00 0.00 176.35 176.64 3h1e s LEU 4 N -0.76 2.72 -0.22 1.79 2.96 -0.40 0.11 118.68 124.87 3h1e s LEU 4 Ca 0.12 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3h1e s LEU 4 Cb -0.11 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3h1e s LEU 4 CO 0.01 -0.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.26 3h1e s VAL 5 N 1.34 3.50 -0.11 1.68 1.01 0.19 -0.72 120.40 127.29 3h1e s VAL 5 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3h1e s VAL 5 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3h1e s VAL 5 CO -0.07 0.41 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 3h1e s VAL 6 N 1.48 1.71 -0.29 2.92 1.01 0.73 -1.36 120.40 126.59 3h1e s VAL 6 Ca 0.06 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3h1e s VAL 6 Cb -0.14 -1.53 0.18 0.00 0.00 0.00 0.00 36.38 34.88 3h1e s VAL 6 CO -0.02 0.48 1.16 -0.62 0.00 0.00 0.00 175.10 176.09 3h1e s ASP 7 N 0.84 -0.26 0.00 3.32 -1.08 -0.87 -0.42 116.67 118.20 3h1e s ASP 7 Ca -0.09 0.44 0.20 0.00 -0.52 0.00 0.00 52.55 52.58 3h1e s ASP 7 Cb -0.15 0.97 0.90 0.00 -1.46 0.00 0.00 42.92 43.18 3h1e s ASP 7 CO -0.00 -0.07 1.65 -0.90 0.52 0.00 0.00 175.17 176.37 3h1e n ASP 8 N 3.06 0.00 -4.60 -0.34 5.75 -1.04 -4.41 116.55 114.96 3h1e n ASP 8 Ca -0.16 0.38 -0.40 0.00 -0.01 0.00 0.00 54.79 54.60 3h1e n ASP 8 Cb 0.57 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 3h1e n ASP 8 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3h1e s SER 9 N -2.90 6.33 0.22 -1.12 0.15 -1.26 -4.97 113.70 110.14 3h1e s SER 9 Ca 0.12 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.98 3h1e s SER 9 Cb 0.13 -2.25 0.18 0.00 -1.71 0.00 0.00 66.02 62.38 3h1e s SER 9 CO 0.36 -0.30 1.70 0.77 1.20 0.00 0.00 173.24 176.97 3h1e h SER 10 N 8.20 0.94 0.72 5.45 4.64 -2.00 -2.06 113.55 129.44 3h1e h SER 10 Ca -0.30 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 60.64 3h1e h SER 10 Cb 1.14 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3h1e h SER 10 CO 0.70 0.99 -0.67 0.74 -0.87 0.00 0.00 176.83 177.71 3h1e h THR 11 N 0.90 1.45 -0.38 2.95 2.02 -1.97 -2.55 112.91 115.34 3h1e h THR 11 Ca 0.17 -2.34 -0.08 0.00 0.77 0.00 0.00 66.41 64.94 3h1e h THR 11 Cb 0.49 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3h1e h THR 11 CO 0.02 0.66 -0.06 -0.03 0.37 0.00 0.00 175.52 176.48 3h1e h MET 12 N 0.00 0.71 -0.73 6.66 -1.53 -1.92 -2.22 114.93 115.90 3h1e h MET 12 Ca -0.01 -0.26 -0.01 0.00 -3.44 0.00 0.00 59.70 55.98 3h1e h MET 12 Cb 1.22 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.18 3h1e h MET 12 CO 0.09 0.85 0.43 0.00 0.14 0.00 0.00 176.91 178.41 3h1e h ARG 13 N 0.52 1.01 0.13 0.39 3.08 -1.32 -1.51 114.38 116.68 3h1e h ARG 13 Ca 0.10 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3h1e h ARG 13 Cb 0.57 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3h1e h ARG 13 CO 0.03 0.73 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.11 3h1e h ARG 14 N 1.01 -0.68 -0.50 0.04 2.43 -1.36 -0.40 114.38 114.91 3h1e h ARG 14 Ca 0.26 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3h1e h ARG 14 Cb -0.01 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3h1e h ARG 14 CO -0.05 -0.46 0.31 0.97 -1.51 0.00 0.00 179.97 179.24 3h1e h ILE 15 N -0.71 1.15 -0.29 1.20 2.10 -1.24 0.45 117.51 120.16 3h1e h ILE 15 Ca 0.01 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.63 3h1e h ILE 15 Cb 0.72 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 3h1e h ILE 15 CO -0.26 0.15 0.16 0.40 -1.08 0.00 0.00 178.15 177.52 3h1e h ILE 16 N 0.67 1.13 -0.41 2.19 2.04 -1.24 -0.12 117.51 121.76 3h1e h ILE 16 Ca 0.18 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3h1e h ILE 16 Cb -0.03 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3h1e h ILE 16 CO -0.03 0.13 -0.00 0.50 0.00 0.00 0.00 178.15 178.74 3h1e h LYS 17 N 0.35 0.72 -0.63 2.37 3.64 -0.44 0.12 116.57 122.71 3h1e h LYS 17 Ca 0.10 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3h1e h LYS 17 Cb 0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3h1e h LYS 17 CO -0.02 0.81 0.32 -0.97 -2.27 0.00 0.00 179.45 177.32 3h1e h ASN 18 N 0.55 0.79 0.10 4.20 -1.24 0.02 -1.88 115.58 118.11 3h1e h ASN 18 Ca 0.11 -0.07 -0.19 0.00 0.71 0.00 0.00 56.30 56.86 3h1e h ASN 18 Cb 0.48 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 3h1e h ASN 18 CO 0.02 0.65 -0.72 0.74 -1.29 0.00 0.00 177.43 176.83 3h1e h THR 19 N 0.88 1.34 -0.87 -3.57 2.02 -0.18 -2.44 112.91 110.09 3h1e h THR 19 Ca 0.22 -2.04 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 3h1e h THR 19 Cb 0.06 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3h1e h THR 19 CO -0.03 0.63 0.53 -0.07 0.37 0.00 0.00 175.52 176.95 3h1e h LEU 20 N 0.38 1.04 -0.62 2.58 3.38 -0.56 -2.86 115.31 118.64 3h1e h LEU 20 Ca -0.03 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h1e h LEU 20 Cb 1.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3h1e h LEU 20 CO 0.13 0.79 0.41 -1.28 0.09 0.00 0.00 178.44 178.58 3h1e h SER 21 N 1.20 0.71 0.49 -0.43 0.87 -0.95 0.21 113.55 115.65 3h1e h SER 21 Ca 0.31 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3h1e h SER 21 Cb -0.06 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3h1e h SER 21 CO -0.06 0.51 -0.01 0.03 -0.53 0.00 0.00 176.83 176.78 3h1e h ARG 22 N 0.84 0.00 -0.22 2.24 3.08 -1.23 -0.96 114.38 118.12 3h1e h ARG 22 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3h1e h ARG 22 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3h1e h ARG 22 CO -0.05 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 3h1e n LEU 23 N -3.11 3.11 0.00 3.04 4.77 -0.58 -4.93 117.00 119.31 3h1e n LEU 23 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3h1e n LEU 23 Cb 0.19 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3h1e n LEU 23 CO 0.24 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3h1e n GLY 24 N 1.30 0.66 3.30 -0.72 0.00 -0.36 -0.11 105.19 109.25 3h1e n GLY 24 Ca 0.16 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3h1e n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1e s TYR 25 N -2.00 3.31 -0.03 1.61 2.02 0.64 -4.53 117.35 118.37 3h1e s TYR 25 Ca 0.00 -1.39 0.07 0.00 -0.37 0.00 0.00 57.07 55.38 3h1e s TYR 25 Cb 0.00 -3.28 -0.11 0.00 -0.40 0.00 0.00 41.96 38.17 3h1e s TYR 25 CO 0.00 -0.89 0.12 0.39 -1.57 0.00 0.00 175.55 173.59 3h1e n GLU 26 N 5.05 1.21 -2.45 -0.62 -0.58 -1.26 -3.07 120.64 118.92 3h1e n GLU 26 Ca -0.11 -0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 3h1e n GLU 26 Cb 0.42 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 3h1e n GLU 26 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3h1e n ASP 27 N -1.96 4.92 -4.35 1.62 -0.08 -1.26 -4.92 116.55 110.52 3h1e n ASP 27 Ca -0.05 -3.01 -0.33 0.00 -1.51 0.00 0.00 54.79 49.89 3h1e n ASP 27 Cb 0.40 -1.57 -0.14 0.00 2.34 0.00 0.00 41.12 42.15 3h1e n ASP 27 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3h1e s VAL 28 N 1.63 3.05 -0.05 5.18 1.01 -1.26 -1.17 120.40 128.78 3h1e s VAL 28 Ca 0.43 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3h1e s VAL 28 Cb 0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3h1e s VAL 28 CO -0.00 0.51 -0.10 -0.22 0.00 0.00 0.00 175.10 175.29 3h1e s LEU 29 N 0.55 2.97 0.20 3.92 2.96 0.12 -4.98 118.68 124.41 3h1e s LEU 29 Ca -0.08 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 3h1e s LEU 29 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3h1e s LEU 29 CO 0.04 0.35 0.01 -1.61 -1.32 0.00 0.00 176.35 173.81 3h1e s GLU 30 N -0.85 2.41 -0.01 1.98 2.02 -1.26 0.54 118.70 123.53 3h1e s GLU 30 Ca 0.12 -1.18 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 3h1e s GLU 30 Cb -0.11 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.81 3h1e s GLU 30 CO 0.02 0.43 0.23 0.00 0.02 0.00 0.00 175.26 175.96 3h1e s ALA 31 N -1.88 -0.58 -0.04 5.21 0.00 -0.47 -4.89 121.76 119.10 3h1e s ALA 31 Ca 0.29 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 3h1e s ALA 31 Cb -0.09 0.07 -0.30 0.00 0.00 0.00 0.00 23.12 22.81 3h1e s ALA 31 CO 0.19 -0.23 0.69 0.93 0.00 0.00 0.00 175.76 177.33 3h1e h GLU 32 N 4.11 0.35 -4.78 0.00 5.08 -1.87 -2.31 114.58 115.15 3h1e h GLU 32 Ca -0.30 -0.59 -0.36 0.00 -1.00 0.00 0.00 59.36 57.11 3h1e h GLU 32 Cb 1.18 0.22 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 3h1e h GLU 32 CO 0.40 1.25 -0.57 -1.01 -1.00 0.00 0.00 179.01 178.08 3h1e s HIS 33 N -2.59 1.47 0.28 4.33 3.76 -1.26 -2.51 115.29 118.78 3h1e s HIS 33 Ca -0.15 -1.42 -0.03 0.00 -0.15 0.00 0.00 55.06 53.31 3h1e s HIS 33 Cb 0.06 -0.73 0.38 0.00 1.11 0.00 0.00 32.58 33.40 3h1e s HIS 33 CO 0.85 -0.62 1.94 0.78 -0.85 0.00 0.00 174.74 176.84 3h1e h GLY 34 N 2.35 1.21 0.98 -2.22 0.00 -1.06 -1.67 103.07 102.66 3h1e h GLY 34 Ca -0.33 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3h1e h GLY 34 CO 0.50 0.47 0.26 -2.08 0.00 0.00 0.00 176.54 175.68 3h1e h VAL 35 N 1.16 1.19 -0.16 4.60 2.07 -1.31 0.84 116.25 124.64 3h1e h VAL 35 Ca 0.31 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 3h1e h VAL 35 Cb -0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3h1e h VAL 35 CO -0.06 0.22 -0.57 -0.08 0.02 0.00 0.00 177.57 177.09 3h1e h GLU 36 N 0.70 0.52 0.27 1.57 4.81 -1.80 -0.30 114.58 120.35 3h1e h GLU 36 Ca 0.18 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3h1e h GLU 36 Cb 0.11 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3h1e h GLU 36 CO -0.02 0.95 -0.13 0.00 -0.73 0.00 0.00 179.01 179.08 3h1e h ALA 37 N 0.98 -0.36 -0.42 2.92 0.00 -1.05 -1.87 119.26 119.46 3h1e h ALA 37 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h1e h ALA 37 Cb 1.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3h1e h ALA 37 CO 0.11 -0.65 0.23 2.35 0.00 0.00 0.00 179.25 181.29 3h1e h TRP 38 N -0.47 0.43 -0.70 0.00 2.91 -0.69 -0.31 115.95 117.13 3h1e h TRP 38 Ca -0.04 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.10 3h1e h TRP 38 Cb 0.35 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.79 3h1e h TRP 38 CO -0.03 0.24 0.33 1.49 -1.03 0.00 0.00 178.44 179.44 3h1e h GLU 39 N 0.47 0.54 -0.23 2.65 4.22 -0.99 0.11 114.58 121.35 3h1e h GLU 39 Ca 0.17 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.43 3h1e h GLU 39 Cb 0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h1e h GLU 39 CO -0.09 0.36 -0.45 0.87 -2.18 0.00 0.00 179.01 177.51 3h1e h LYS 40 N 0.56 0.71 -0.36 1.92 1.57 -0.72 -1.97 116.57 118.28 3h1e h LYS 40 Ca 0.35 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3h1e h LYS 40 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3h1e h LYS 40 CO -0.28 1.08 0.22 -0.07 -0.57 0.00 0.00 179.45 179.83 3h1e h LEU 41 N 0.43 0.38 -1.44 2.94 3.38 -0.84 -1.39 115.31 118.77 3h1e h LEU 41 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h1e h LEU 41 Cb 1.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3h1e h LEU 41 CO 0.10 0.27 0.04 -0.78 0.09 0.00 0.00 178.44 178.16 3h1e h ASP 42 N 0.46 0.37 0.22 -0.43 3.58 -0.60 -2.22 116.42 117.80 3h1e h ASP 42 Ca 0.13 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3h1e h ASP 42 Cb -0.03 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.92 3h1e h ASP 42 CO -0.04 0.41 -0.37 0.00 -2.88 0.00 0.00 179.24 176.35 3h1e n ALA 43 N -2.48 3.33 -3.23 -0.78 0.00 -0.76 -4.52 120.51 112.07 3h1e n ALA 43 Ca 0.01 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 3h1e n ALA 43 Cb 0.19 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 3h1e n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1e n ASN 44 N -0.72 -1.09 0.00 0.00 3.02 -0.55 -4.98 115.26 110.94 3h1e n ASN 44 Ca 0.10 -2.54 0.05 0.00 -0.03 0.00 0.00 54.58 52.17 3h1e n ASN 44 Cb 0.37 -0.03 0.24 0.00 -0.61 0.00 0.00 39.78 39.74 3h1e n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1e n ALA 45 N 2.68 1.51 1.33 5.41 0.00 -1.19 -2.11 120.51 128.14 3h1e n ALA 45 Ca 0.26 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.81 3h1e n ALA 45 Cb 0.51 -1.18 0.70 0.00 0.00 0.00 0.00 19.45 19.48 3h1e n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h1e n ASP 46 N -1.49 0.07 -4.71 0.00 5.75 -1.26 -4.85 116.55 110.06 3h1e n ASP 46 Ca 0.03 -0.08 -0.43 0.00 -0.01 0.00 0.00 54.79 54.30 3h1e n ASP 46 Cb 0.13 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.91 3h1e n ASP 46 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3h1e n THR 47 N -1.29 0.97 -0.06 2.12 -1.04 -0.90 -4.68 114.28 109.40 3h1e n THR 47 Ca 0.13 -0.24 -0.20 0.00 -2.04 0.00 0.00 64.05 61.70 3h1e n THR 47 Cb 0.27 -1.73 -0.13 0.00 -1.82 0.00 0.00 70.33 66.92 3h1e n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3h1e n LYS 48 N 2.13 0.71 -3.83 -2.82 4.76 0.37 -4.96 118.16 114.51 3h1e n LYS 48 Ca 0.10 0.21 -0.14 0.00 -2.87 0.00 0.00 58.31 55.61 3h1e n LYS 48 Cb 0.34 -1.62 -0.15 0.00 -1.84 0.00 0.00 35.03 31.76 3h1e n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h1e s VAL 49 N -2.54 -0.00 -0.20 -0.18 1.01 -0.98 -3.91 120.40 113.59 3h1e s VAL 49 Ca -0.28 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 3h1e s VAL 49 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.34 3h1e s VAL 49 CO 0.69 0.06 0.05 -0.22 0.00 0.00 0.00 175.10 175.68 3h1e s LEU 50 N 0.66 3.59 -0.23 3.92 2.96 -0.57 -1.27 118.68 127.74 3h1e s LEU 50 Ca -0.06 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3h1e s LEU 50 Cb -0.08 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.73 3h1e s LEU 50 CO -0.02 0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.35 3h1e s ILE 51 N 0.79 2.28 -0.01 6.68 1.01 0.11 -0.84 121.20 131.23 3h1e s ILE 51 Ca 0.03 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.45 3h1e s ILE 51 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3h1e s ILE 51 CO 0.02 0.22 -0.13 0.28 0.00 0.00 0.00 174.94 175.33 3h1e s THR 52 N 1.21 0.99 1.02 2.92 -1.32 -0.05 -0.19 115.64 120.22 3h1e s THR 52 Ca -0.02 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 59.78 3h1e s THR 52 Cb -0.17 -0.83 0.20 0.00 -1.51 0.00 0.00 72.50 70.19 3h1e s THR 52 CO -0.08 0.26 1.09 -0.62 -2.21 0.00 0.00 174.62 173.06 3h1e s ASP 53 N -0.34 2.45 -0.08 8.08 2.15 0.44 -1.35 116.67 128.03 3h1e s ASP 53 Ca 0.05 1.23 -0.08 0.00 0.43 0.00 0.00 52.55 54.17 3h1e s ASP 53 Cb -0.05 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 3h1e s ASP 53 CO -0.00 -3.25 -0.16 1.87 -0.17 0.00 0.00 175.17 173.46 3h1e n TRP 54 N -4.26 0.00 -2.43 -5.34 -0.00 -1.26 -3.84 117.44 100.32 3h1e n TRP 54 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.13 3h1e n TRP 54 Cb 0.57 -0.23 -0.03 0.00 -0.00 0.00 0.00 31.31 31.62 3h1e n TRP 54 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3h1e s ASN 55 N -5.06 6.19 -0.01 5.87 0.01 -1.26 -0.15 114.94 120.53 3h1e s ASN 55 Ca -0.13 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 3h1e s ASN 55 Cb 0.02 -2.55 0.08 0.00 0.41 0.00 0.00 41.25 39.21 3h1e s ASN 55 CO 0.20 -1.67 0.70 0.00 -1.51 0.00 0.00 177.10 174.81 3h1e s MET 56 N 5.41 1.06 1.13 -0.60 0.23 -1.26 -4.73 119.30 120.54 3h1e s MET 56 Ca 0.50 0.06 -0.15 0.00 -1.03 0.00 0.00 55.69 55.07 3h1e s MET 56 Cb -0.10 0.50 0.25 0.00 -1.53 0.00 0.00 34.83 33.95 3h1e s MET 56 CO 0.25 -0.37 1.07 -2.14 -2.03 0.00 0.00 175.02 171.80 3h1e s PRO 57 N -1.84 -0.63 -1.23 3.16 0.02 -1.26 -3.44 135.00 129.77 3h1e s PRO 57 Ca -0.07 0.33 -0.15 0.00 0.02 0.00 0.00 61.00 61.13 3h1e s PRO 57 Cb -0.00 -1.63 -0.00 0.00 0.02 0.00 0.00 34.50 32.89 3h1e s PRO 57 CO 0.03 -3.40 0.66 0.39 -0.33 0.00 0.00 177.00 174.35 3h1e n GLU 58 N -4.62 -1.88 -0.98 5.54 1.02 -1.26 -4.09 120.64 114.37 3h1e n GLU 58 Ca 0.08 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3h1e n GLU 58 Cb 0.58 -4.13 0.00 0.00 -0.02 0.00 0.00 31.44 27.87 3h1e n GLU 58 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3h1e n MET 59 N -4.34 0.00 -1.25 3.49 0.00 -1.26 -1.05 117.12 112.71 3h1e n MET 59 Ca -0.17 0.48 -0.30 0.00 -0.00 0.00 0.00 57.70 57.71 3h1e n MET 59 Cb 0.62 -0.50 0.13 0.00 0.00 0.00 0.00 33.22 33.47 3h1e n MET 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3h1e s ASN 60 N 0.00 3.67 0.39 6.12 2.20 -1.22 -2.23 114.94 123.87 3h1e s ASN 60 Ca 0.00 1.48 0.09 0.00 -0.94 0.00 0.00 52.86 53.49 3h1e s ASN 60 Cb 0.00 -2.17 0.80 0.00 -2.00 0.00 0.00 41.25 37.87 3h1e s ASN 60 CO 0.00 -2.51 1.95 1.23 -2.94 0.00 0.00 177.10 174.83 3h1e h GLY 61 N -1.46 0.35 0.90 0.45 0.00 -0.65 -1.63 103.07 101.03 3h1e h GLY 61 Ca -0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3h1e h GLY 61 CO 0.55 0.18 0.09 -2.00 0.00 0.00 0.00 176.54 175.36 3h1e h LEU 62 N 0.32 0.31 -0.81 3.11 5.85 -1.82 -0.83 115.31 121.43 3h1e h LEU 62 Ca 0.07 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3h1e h LEU 62 Cb 0.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3h1e h LEU 62 CO 0.01 0.38 -0.26 0.44 -0.34 0.00 0.00 178.44 178.66 3h1e h ASP 63 N 0.22 0.60 -0.51 1.25 3.32 -1.85 -2.35 116.42 117.10 3h1e h ASP 63 Ca 0.08 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3h1e h ASP 63 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3h1e h ASP 63 CO -0.01 0.85 0.29 0.25 -1.72 0.00 0.00 179.24 178.90 3h1e h LEU 64 N 0.52 0.63 -0.48 1.55 5.85 -1.15 -2.05 115.31 120.18 3h1e h LEU 64 Ca 0.07 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3h1e h LEU 64 Cb 0.73 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3h1e h LEU 64 CO 0.06 0.53 -0.21 0.58 -0.34 0.00 0.00 178.44 179.06 3h1e h VAL 65 N 0.68 1.27 -0.69 1.05 2.07 -0.82 -0.28 116.25 119.53 3h1e h VAL 65 Ca 0.18 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 3h1e h VAL 65 Cb 0.04 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3h1e h VAL 65 CO -0.03 0.48 0.14 0.11 0.02 0.00 0.00 177.57 178.29 3h1e h LYS 66 N 0.85 1.12 -0.39 1.57 1.57 -1.37 -0.96 116.57 118.96 3h1e h LYS 66 Ca 0.11 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3h1e h LYS 66 Cb 0.79 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3h1e h LYS 66 CO 0.07 1.00 0.07 -0.22 -0.57 0.00 0.00 179.45 179.80 3h1e h LYS 67 N 1.05 0.64 -0.33 3.15 1.63 -1.05 -1.86 116.57 119.80 3h1e h LYS 67 Ca 0.21 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3h1e h LYS 67 Cb 0.40 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 3h1e h LYS 67 CO 0.01 0.69 0.20 0.28 -3.45 0.00 0.00 179.45 177.17 3h1e h VAL 68 N 0.49 1.11 0.00 2.00 2.07 -0.88 -2.57 116.25 118.47 3h1e h VAL 68 Ca 0.12 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3h1e h VAL 68 Cb 0.35 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3h1e h VAL 68 CO 0.01 0.11 -0.10 0.03 0.02 0.00 0.00 177.57 177.64 3h1e h ARG 69 N 0.43 0.00 0.00 1.57 2.47 -1.04 -2.66 114.38 115.14 3h1e h ARG 69 Ca 0.12 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.73 3h1e h ARG 69 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 3h1e h ARG 69 CO -0.02 0.10 -0.71 0.77 0.56 0.00 0.00 179.97 180.67 3h1e h SER 70 N 0.00 0.00 -3.85 7.04 0.02 -1.03 -3.43 113.55 112.31 3h1e h SER 70 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3h1e h SER 70 Cb 0.44 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.01 3h1e h SER 70 CO 0.01 0.45 0.52 -0.62 -1.14 0.00 0.00 176.83 176.06 3h1e s ASP 71 N -6.22 7.04 0.00 3.07 -1.08 -1.00 -4.92 116.67 113.57 3h1e s ASP 71 Ca 0.02 2.39 0.28 0.00 -0.52 0.00 0.00 52.55 54.72 3h1e s ASP 71 Cb 0.08 -2.63 1.40 0.00 -1.46 0.00 0.00 42.92 40.31 3h1e s ASP 71 CO 0.76 -0.31 1.93 -1.54 0.52 0.00 0.00 175.17 176.52 3h1e n SER 72 N 0.93 0.65 0.05 -0.34 3.41 -1.26 -3.05 113.62 114.01 3h1e n SER 72 Ca -0.00 -1.29 0.11 0.00 -0.26 0.00 0.00 58.87 57.43 3h1e n SER 72 Cb 0.44 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3h1e n SER 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h1e n ARG 73 N -0.46 0.52 -1.69 4.33 1.74 -1.26 -4.52 116.66 115.32 3h1e n ARG 73 Ca 0.20 -0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.21 3h1e n ARG 73 Cb 0.20 -1.67 0.08 0.00 -1.02 0.00 0.00 32.46 30.05 3h1e n ARG 73 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h1e n PHE 74 N -2.34 1.31 0.22 -1.55 3.72 -1.17 -4.75 117.46 112.90 3h1e n PHE 74 Ca -0.00 -1.77 0.11 0.00 -0.05 0.00 0.00 57.45 55.74 3h1e n PHE 74 Cb 0.52 -0.27 0.38 0.00 -0.94 0.00 0.00 39.48 39.18 3h1e n PHE 74 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3h1e h LYS 75 N 1.76 0.00 0.00 -1.08 1.57 -1.79 -3.28 116.57 113.74 3h1e h LYS 75 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3h1e h LYS 75 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3h1e h LYS 75 CO 0.35 0.18 -0.01 0.39 -0.57 0.00 0.00 179.45 179.79 3h1e n GLU 76 N -3.25 2.42 -2.10 3.15 -0.58 -1.26 -5.02 120.64 114.00 3h1e n GLU 76 Ca 0.01 -1.60 -0.42 0.00 -0.42 0.00 0.00 57.16 54.73 3h1e n GLU 76 Cb 0.47 -1.04 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 3h1e n GLU 76 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3h1e s ILE 77 N -1.23 3.33 0.34 -3.67 2.07 -1.24 -4.96 121.20 115.84 3h1e s ILE 77 Ca 0.06 0.82 -0.29 0.00 -1.41 0.00 0.00 60.65 59.83 3h1e s ILE 77 Cb 0.05 -3.53 -0.10 0.00 0.13 0.00 0.00 42.46 39.01 3h1e s ILE 77 CO 0.01 0.02 1.37 -2.84 -1.91 0.00 0.00 174.94 171.59 3h1e s PRO 78 N 2.08 4.27 -0.12 3.50 0.02 -1.25 -4.93 135.00 138.57 3h1e s PRO 78 Ca 0.68 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 3h1e s PRO 78 Cb -0.36 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.16 3h1e s PRO 78 CO 0.29 -0.31 0.01 0.42 -0.33 0.00 0.00 177.00 177.09 3h1e s ILE 79 N -1.05 0.45 -0.19 2.83 1.01 -1.26 -1.52 121.20 121.47 3h1e s ILE 79 Ca 0.51 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 3h1e s ILE 79 Cb -0.42 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3h1e s ILE 79 CO 0.55 0.07 0.01 -0.63 0.00 0.00 0.00 174.94 174.94 3h1e s ILE 80 N 1.92 4.08 -0.22 2.92 1.01 -0.02 -0.45 121.20 130.45 3h1e s ILE 80 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 3h1e s ILE 80 Cb -0.14 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3h1e s ILE 80 CO -0.07 0.44 0.12 -0.32 0.00 0.00 0.00 174.94 175.11 3h1e s MET 81 N 0.85 4.06 -0.22 2.79 -2.45 0.68 -0.87 119.30 124.14 3h1e s MET 81 Ca 0.01 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 3h1e s MET 81 Cb -0.14 -3.42 0.04 0.00 1.25 0.00 0.00 34.83 32.56 3h1e s MET 81 CO 0.02 0.16 -0.14 0.42 1.05 0.00 0.00 175.02 176.54 3h1e s ILE 82 N 0.74 2.03 0.06 10.11 1.01 -0.46 -0.52 121.20 134.17 3h1e s ILE 82 Ca 0.06 -1.30 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 3h1e s ILE 82 Cb -0.13 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.37 3h1e s ILE 82 CO 0.02 0.19 0.58 0.28 0.00 0.00 0.00 174.94 176.01 3h1e s THR 83 N 1.22 0.01 -0.78 2.92 -1.32 -0.52 -3.89 115.64 113.27 3h1e s THR 83 Ca -0.03 -0.12 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 3h1e s THR 83 Cb -0.17 -0.99 0.25 0.00 -1.51 0.00 0.00 72.50 70.08 3h1e s THR 83 CO -0.08 -0.06 1.77 0.35 -2.21 0.00 0.00 174.62 174.39 3h1e n THR 84 N 0.30 0.53 -2.13 5.08 -2.24 -1.26 -0.40 114.28 114.15 3h1e n THR 84 Ca -0.18 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 3h1e n THR 84 Cb 0.61 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 3h1e n THR 84 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h1e s GLU 85 N -3.10 2.69 0.03 -0.78 0.41 -1.26 -4.72 118.70 111.97 3h1e s GLU 85 Ca 0.10 -1.10 0.25 0.00 -0.41 0.00 0.00 54.97 53.80 3h1e s GLU 85 Cb 0.13 -5.25 0.47 0.00 -1.78 0.00 0.00 34.13 27.71 3h1e s GLU 85 CO 0.51 -3.65 1.39 0.41 -0.49 0.00 0.00 175.26 173.43 3h1e n GLY 86 N 5.98 -1.30 3.76 -1.39 0.00 -1.26 -4.65 105.19 106.33 3h1e n GLY 86 Ca 0.44 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3h1e n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1e s GLY 87 N -3.19 3.04 0.49 -0.02 0.00 -1.26 -4.90 107.32 101.48 3h1e s GLY 87 Ca 0.10 1.04 0.17 0.00 0.00 0.00 0.00 44.72 46.03 3h1e s GLY 87 CO 0.70 1.67 2.07 0.50 0.00 0.00 0.00 173.10 178.04 3h1e h LYS 88 N 3.65 0.00 -0.82 2.90 1.79 -1.99 -1.26 116.57 120.83 3h1e h LYS 88 Ca -0.48 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.04 3h1e h LYS 88 Cb 1.22 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.82 3h1e h LYS 88 CO 0.66 0.10 0.54 0.00 -1.08 0.00 0.00 179.45 179.67 3h1e h ALA 89 N 1.90 1.53 0.07 3.86 0.00 -1.98 0.22 119.26 124.86 3h1e h ALA 89 Ca -0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3h1e h ALA 89 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h1e h ALA 89 CO 0.01 0.38 -1.11 0.93 0.00 0.00 0.00 179.25 179.47 3h1e h GLU 90 N 0.99 0.31 -0.05 0.00 3.07 -1.60 -1.90 114.58 115.40 3h1e h GLU 90 Ca 0.34 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3h1e h GLU 90 Cb 0.09 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3h1e h GLU 90 CO -0.11 1.16 0.03 0.28 -1.40 0.00 0.00 179.01 178.97 3h1e h VAL 91 N 0.13 1.05 -0.34 3.13 2.07 -0.80 -1.42 116.25 120.07 3h1e h VAL 91 Ca -0.11 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3h1e h VAL 91 Cb 1.79 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3h1e h VAL 91 CO 0.18 0.04 0.19 0.40 0.02 0.00 0.00 177.57 178.40 3h1e h ILE 92 N 0.03 1.02 -0.72 4.57 2.04 -0.58 -0.90 117.51 122.96 3h1e h ILE 92 Ca 0.02 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 65.91 3h1e h ILE 92 Cb 0.04 0.60 -0.11 0.00 -0.74 0.00 0.00 36.82 36.60 3h1e h ILE 92 CO -0.00 0.07 0.13 0.74 0.00 0.00 0.00 178.15 179.09 3h1e h THR 93 N 0.38 0.48 -0.14 -0.27 2.02 -1.14 -1.10 112.91 113.14 3h1e h THR 93 Ca 0.14 -0.08 -0.20 0.00 0.77 0.00 0.00 66.41 67.04 3h1e h THR 93 Cb 0.02 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3h1e h THR 93 CO -0.08 0.04 -0.73 0.00 0.37 0.00 0.00 175.52 175.13 3h1e h ALA 94 N 1.62 0.46 -0.33 6.16 0.00 -0.44 -2.63 119.26 124.09 3h1e h ALA 94 Ca 0.41 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3h1e h ALA 94 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3h1e h ALA 94 CO -0.54 0.71 -0.31 -0.07 0.00 0.00 0.00 179.25 179.05 3h1e h LEU 95 N 0.45 0.74 -1.64 0.00 3.38 -0.75 -0.77 115.31 116.73 3h1e h LEU 95 Ca -0.04 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3h1e h LEU 95 Cb 1.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3h1e h LEU 95 CO 0.14 1.00 -0.19 0.11 0.09 0.00 0.00 178.44 179.59 3h1e h LYS 96 N 0.61 0.00 0.00 1.13 1.57 -1.14 -2.46 116.57 116.28 3h1e h LYS 96 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3h1e h LYS 96 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3h1e h LYS 96 CO 0.07 0.19 -0.93 0.00 -0.57 0.00 0.00 179.45 178.21 3h1e h ALA 97 N 1.81 0.66 0.00 3.86 0.00 -1.09 -3.47 119.26 121.03 3h1e h ALA 97 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3h1e h ALA 97 Cb 0.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3h1e h ALA 97 CO 0.02 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3h1e n GLY 98 N 1.28 0.85 3.77 0.00 0.00 -0.82 -4.38 105.19 105.90 3h1e n GLY 98 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3h1e n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1e s VAL 99 N -1.44 2.61 -0.12 1.61 1.01 -0.36 -4.77 120.40 118.94 3h1e s VAL 99 Ca 0.00 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.67 3h1e s VAL 99 Cb 0.00 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 3h1e s VAL 99 CO 0.00 0.10 0.05 0.59 0.00 0.00 0.00 175.10 175.84 3h1e n ASN 100 N 0.35 1.90 -3.78 3.32 3.02 0.41 -4.45 115.26 116.03 3h1e n ASN 100 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 3h1e n ASN 100 Cb 0.43 0.82 -0.14 0.00 -0.61 0.00 0.00 39.78 40.28 3h1e n ASN 100 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3h1e s ASN 101 N -4.54 -0.11 -0.17 6.41 0.01 -1.06 -5.03 114.94 110.46 3h1e s ASN 101 Ca -0.06 0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 3h1e s ASN 101 Cb 0.04 0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.93 3h1e s ASN 101 CO 0.52 -0.11 -0.14 -0.47 -1.51 0.00 0.00 177.10 175.39 3h1e s TYR 102 N 0.77 2.36 -0.10 2.20 5.04 -1.26 -0.23 117.35 126.12 3h1e s TYR 102 Ca -0.06 -1.41 0.03 0.00 -2.44 0.00 0.00 57.07 53.19 3h1e s TYR 102 Cb -0.08 -1.67 -0.01 0.00 0.35 0.00 0.00 41.96 40.56 3h1e s TYR 102 CO -0.04 -0.72 -0.21 0.42 -1.34 0.00 0.00 175.55 173.67 3h1e s ILE 103 N 1.42 2.37 -0.22 3.14 1.01 0.33 -5.00 121.20 124.25 3h1e s ILE 103 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3h1e s ILE 103 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3h1e s ILE 103 CO -0.10 0.55 0.08 -0.69 0.00 0.00 0.00 174.94 174.78 3h1e s VAL 104 N 0.21 4.64 0.55 2.92 1.01 -1.26 -1.44 120.40 127.03 3h1e s VAL 104 Ca -0.13 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3h1e s VAL 104 Cb -0.16 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3h1e s VAL 104 CO 0.07 0.38 1.02 -0.54 0.00 0.00 0.00 175.10 176.03 3h1e s LYS 105 N 1.11 3.66 0.58 2.72 1.02 0.46 -4.63 119.74 124.66 3h1e s LYS 105 Ca 0.05 1.11 -0.03 0.00 0.02 0.00 0.00 55.97 57.12 3h1e s LYS 105 Cb -0.14 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3h1e s LYS 105 CO 0.04 -0.52 0.84 -1.25 -0.92 0.00 0.00 175.35 173.54 3h1e s PRO 106 N -3.97 2.67 0.04 -1.68 0.05 -1.26 -4.50 135.00 126.35 3h1e s PRO 106 Ca 0.62 -0.38 -0.17 0.00 0.05 0.00 0.00 61.00 61.12 3h1e s PRO 106 Cb -0.13 -2.37 0.03 0.00 0.05 0.00 0.00 34.50 32.08 3h1e s PRO 106 CO 0.32 -0.74 0.38 -0.59 0.05 0.00 0.00 177.00 176.42 3h1e s PHE 107 N -2.90 -0.22 0.72 0.56 -0.12 -1.26 -5.10 117.98 109.67 3h1e s PHE 107 Ca 0.55 0.16 -0.11 0.00 -0.05 0.00 0.00 56.93 57.48 3h1e s PHE 107 Cb -0.10 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 3h1e s PHE 107 CO 0.42 -0.54 1.07 0.95 -0.05 0.00 0.00 175.22 177.07 3h1e s THR 108 N -2.42 3.75 0.41 -4.49 -4.23 -1.26 -4.90 115.64 102.48 3h1e s THR 108 Ca -0.06 0.57 0.29 0.00 -1.18 0.00 0.00 61.69 61.31 3h1e s THR 108 Cb -0.01 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.81 3h1e s THR 108 CO -0.02 -0.74 2.09 -0.65 -0.54 0.00 0.00 174.62 174.75 3h1e h PRO 109 N -0.81 0.00 -0.07 3.99 0.11 -1.99 -2.00 132.00 131.23 3h1e h PRO 109 Ca -0.45 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 3h1e h PRO 109 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3h1e h PRO 109 CO 0.58 0.10 -0.89 0.37 -0.21 0.00 0.00 178.00 177.95 3h1e h GLN 110 N 0.00 0.65 -0.17 1.05 5.75 -1.99 -2.70 115.11 117.70 3h1e h GLN 110 Ca -0.00 -0.61 -0.18 0.00 -0.15 0.00 0.00 58.65 57.71 3h1e h GLN 110 Cb 0.33 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 3h1e h GLN 110 CO 0.01 1.22 -0.64 0.28 -2.65 0.00 0.00 178.83 177.05 3h1e h VAL 111 N 0.41 1.32 -0.48 2.39 2.07 -1.88 -2.46 116.25 117.62 3h1e h VAL 111 Ca -0.08 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.50 3h1e h VAL 111 Cb 1.52 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 3h1e h VAL 111 CO 0.17 0.59 0.16 0.25 0.02 0.00 0.00 177.57 178.77 3h1e h LEU 112 N 0.45 0.63 -0.37 2.57 5.85 -1.40 -0.24 115.31 122.81 3h1e h LEU 112 Ca -0.01 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 3h1e h LEU 112 Cb 1.22 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3h1e h LEU 112 CO 0.12 0.59 -0.56 0.50 -0.34 0.00 0.00 178.44 178.76 3h1e h LYS 113 N 0.68 0.77 0.07 1.25 3.64 -1.29 -0.44 116.57 121.24 3h1e h LYS 113 Ca 0.16 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3h1e h LYS 113 Cb 0.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3h1e h LYS 113 CO -0.01 1.12 -0.03 0.93 -2.27 0.00 0.00 179.45 179.18 3h1e h GLU 114 N 0.58 -0.09 -0.03 1.90 5.08 -1.11 -0.45 114.58 120.47 3h1e h GLU 114 Ca 0.01 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3h1e h GLU 114 Cb 1.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3h1e h GLU 114 CO 0.12 0.19 -0.29 0.87 -1.00 0.00 0.00 179.01 178.90 3h1e h LYS 115 N -0.36 0.06 0.11 2.33 1.57 -0.94 -1.36 116.57 117.99 3h1e h LYS 115 Ca -0.01 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.46 3h1e h LYS 115 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3h1e h LYS 115 CO 0.01 0.35 -1.45 -0.07 -0.57 0.00 0.00 179.45 177.72 3h1e h LEU 116 N 0.05 0.38 -1.80 2.94 3.38 -1.12 -3.24 115.31 115.90 3h1e h LEU 116 Ca 0.01 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 3h1e h LEU 116 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h1e h LEU 116 CO 0.04 1.40 -0.14 -0.08 0.09 0.00 0.00 178.44 179.75 3h1e h GLU 117 N 0.07 0.00 -0.36 1.13 4.81 -0.69 0.54 114.58 120.07 3h1e h GLU 117 Ca -0.21 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 3h1e h GLU 117 Cb 2.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 3h1e h GLU 117 CO 0.17 0.14 -0.30 0.28 -0.73 0.00 0.00 179.01 178.57 3h1e h VAL 118 N 0.00 1.28 0.14 0.32 2.07 -1.29 0.11 116.25 118.87 3h1e h VAL 118 Ca -0.00 -1.44 -0.34 0.00 0.82 0.00 0.00 66.70 65.73 3h1e h VAL 118 Cb 0.27 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3h1e h VAL 118 CO 0.02 0.48 -1.79 0.58 0.02 0.00 0.00 177.57 176.87 3h1e h VAL 119 N 0.66 0.81 0.00 2.57 2.07 -1.29 -3.41 116.25 117.66 3h1e h VAL 119 Ca 0.08 -2.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 3h1e h VAL 119 Cb 0.83 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3h1e h VAL 119 CO 0.07 0.84 -1.56 0.18 0.02 0.00 0.00 177.57 177.12 3h1e n LEU 120 N -3.63 0.00 0.00 2.57 4.77 0.18 -5.09 117.00 115.80 3h1e n LEU 120 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3h1e n LEU 120 Cb 1.02 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3h1e n LEU 120 CO 0.45 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3h1e n GLY 121 N 1.82 0.93 3.96 -0.72 0.00 0.37 -4.77 105.19 106.78 3h1e n GLY 121 Ca -0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 3h1e n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1e s THR 122 N 0.00 3.86 0.00 2.61 -4.23 -1.26 -4.66 115.64 111.96 3h1e s THR 122 Ca 0.00 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3h1e s THR 122 Cb 0.00 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3h1e s THR 122 CO 0.00 -0.15 0.06 -3.20 -0.54 0.00 0.00 174.62 170.79