#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1d s LYS 2 N 0.00 3.12 -0.05 0.03 2.20 -1.26 -4.97 119.74 118.81 1n1d s LYS 2 Ca 0.00 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 1n1d s LYS 2 Cb 0.00 -4.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 1n1d s LYS 2 CO 0.00 -1.11 0.31 0.15 -0.36 0.00 0.00 175.35 174.35 1n1d s LYS 3 N 2.45 3.77 0.17 4.03 1.02 -1.26 -1.14 119.74 128.78 1n1d s LYS 3 Ca 0.14 0.22 0.10 0.00 0.02 0.00 0.00 55.97 56.44 1n1d s LYS 3 Cb -0.19 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1n1d s LYS 3 CO 0.12 0.70 -0.17 0.08 -0.92 0.00 0.00 175.35 175.17 1n1d s VAL 4 N -1.00 2.82 0.01 3.17 1.01 -0.33 -0.18 120.40 125.90 1n1d s VAL 4 Ca 0.20 -1.74 -0.05 0.00 0.00 0.00 0.00 61.98 60.39 1n1d s VAL 4 Cb -0.15 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1n1d s VAL 4 CO 0.10 -0.06 0.09 -0.51 0.00 0.00 0.00 175.10 174.72 1n1d s ILE 5 N -1.54 0.09 0.01 2.22 2.07 -0.20 -1.09 121.20 122.77 1n1d s ILE 5 Ca 0.22 -0.75 -0.17 0.00 -1.41 0.00 0.00 60.65 58.54 1n1d s ILE 5 Cb -0.09 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.15 1n1d s ILE 5 CO 0.12 -0.41 0.37 0.28 -1.91 0.00 0.00 174.94 173.39 1n1d s THR 6 N -1.40 0.06 0.08 4.00 -1.32 -0.88 -1.52 115.64 114.65 1n1d s THR 6 Ca -0.15 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 59.95 1n1d s THR 6 Cb -0.08 -0.80 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1n1d s THR 6 CO 0.01 -0.26 -0.24 -0.31 -2.21 0.00 0.00 174.62 171.61 1n1d s TYR 7 N -1.85 2.08 0.00 9.09 1.51 -1.26 -2.15 117.35 124.77 1n1d s TYR 7 Ca -0.10 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1n1d s TYR 7 Cb -0.03 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1n1d s TYR 7 CO 0.02 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.05 1n1d n GLY 8 N 1.45 0.33 0.14 0.71 0.00 -1.10 -4.99 105.19 101.73 1n1d n GLY 8 Ca -0.18 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 1n1d n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n1d h THR 9 N 0.28 0.87 -6.09 2.61 2.02 -1.91 -1.49 112.91 109.21 1n1d h THR 9 Ca 0.00 -2.43 -0.41 0.00 0.77 0.00 0.00 66.41 64.35 1n1d h THR 9 Cb 0.00 2.66 0.07 0.00 -1.74 0.00 0.00 68.15 69.15 1n1d h THR 9 CO 0.00 0.82 -0.87 0.49 0.37 0.00 0.00 175.52 176.33 1n1d n PHE 10 N -3.67 -1.95 -3.32 3.16 3.01 -1.26 -4.58 117.46 108.85 1n1d n PHE 10 Ca -0.27 0.71 -0.38 0.00 1.01 0.00 0.00 57.45 58.52 1n1d n PHE 10 Cb 1.01 -4.00 -0.06 0.00 -0.01 0.00 0.00 39.48 36.43 1n1d n PHE 10 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1n1d s ASP 11 N -3.96 6.86 -1.31 4.37 2.15 -1.26 -4.10 116.67 119.41 1n1d s ASP 11 Ca 0.21 1.02 -0.04 0.00 0.43 0.00 0.00 52.55 54.17 1n1d s ASP 11 Cb -0.06 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 1n1d s ASP 11 CO 0.83 0.16 0.93 0.18 -0.17 0.00 0.00 175.17 177.09 1n1d n LEU 12 N 2.61 -3.40 -2.82 -1.34 4.77 -1.26 -4.77 117.00 110.79 1n1d n LEU 12 Ca -0.09 -0.69 -0.40 0.00 -0.03 0.00 0.00 56.01 54.79 1n1d n LEU 12 Cb 0.51 -2.88 -0.06 0.00 -2.33 0.00 0.00 43.42 38.67 1n1d n LEU 12 CO 0.41 0.45 0.68 -0.11 -1.33 0.00 0.00 177.39 177.50 1n1d n LEU 13 N -4.42 0.71 -4.39 2.23 7.94 -1.26 -4.96 117.00 112.86 1n1d n LEU 13 Ca -0.19 0.71 -0.20 0.00 -1.11 0.00 0.00 56.01 55.21 1n1d n LEU 13 Cb 0.63 -0.52 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 1n1d n LEU 13 CO 0.66 -0.51 -0.21 -1.38 -1.11 0.00 0.00 177.39 174.84 1n1d s HIS 14 N 1.76 1.68 0.67 1.96 -3.43 -1.26 -5.03 115.29 111.63 1n1d s HIS 14 Ca 0.62 -1.28 0.36 0.00 -0.80 0.00 0.00 55.06 53.96 1n1d s HIS 14 Cb -0.89 -0.98 1.98 0.00 -1.43 0.00 0.00 32.58 31.27 1n1d s HIS 14 CO 0.48 -0.39 2.12 0.11 -2.00 0.00 0.00 174.74 175.06 1n1d h TRP 15 N 2.13 0.00 -0.31 0.38 0.09 -1.99 0.85 115.95 117.10 1n1d h TRP 15 Ca -0.35 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.54 1n1d h TRP 15 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.49 1n1d h TRP 15 CO 1.02 0.00 -0.16 0.78 0.09 0.00 0.00 178.44 180.17 1n1d h GLY 16 N 0.00 0.71 1.03 11.11 0.00 -1.94 -1.07 103.07 112.92 1n1d h GLY 16 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1n1d h GLY 16 CO -0.00 0.59 0.12 0.45 0.00 0.00 0.00 176.54 177.70 1n1d h HIS 17 N 0.42 1.06 -0.46 5.60 3.86 -1.26 -2.92 115.15 121.44 1n1d h HIS 17 Ca 0.07 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1n1d h HIS 17 Cb 0.69 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1n1d h HIS 17 CO 0.06 0.90 0.26 0.82 0.86 0.00 0.00 177.93 180.82 1n1d h ILE 18 N 0.91 1.16 0.00 2.45 1.08 -1.22 -0.89 117.51 121.00 1n1d h ILE 18 Ca 0.19 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1n1d h ILE 18 Cb 0.39 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1n1d h ILE 18 CO 0.01 0.17 -0.13 0.11 -0.69 0.00 0.00 178.15 177.62 1n1d h LYS 19 N 0.61 0.00 0.00 2.37 1.57 -1.15 0.09 116.57 120.06 1n1d h LYS 19 Ca 0.16 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.69 1n1d h LYS 19 Cb 0.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.38 1n1d h LYS 19 CO -0.03 0.13 -1.01 1.25 -0.57 0.00 0.00 179.45 179.23 1n1d h LEU 20 N 0.00 0.88 -0.37 2.94 7.12 -1.17 -2.79 115.31 121.92 1n1d h LEU 20 Ca -0.00 -0.74 -0.17 0.00 0.13 0.00 0.00 57.88 57.10 1n1d h LEU 20 Cb 0.33 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1n1d h LEU 20 CO 0.02 1.51 -0.43 -0.07 -0.13 0.00 0.00 178.44 179.34 1n1d h LEU 21 N 0.34 1.00 -0.16 2.25 3.38 -0.68 -2.21 115.31 119.23 1n1d h LEU 21 Ca -0.13 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.39 1n1d h LEU 21 Cb 1.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1n1d h LEU 21 CO 0.20 1.28 0.01 -0.08 0.09 0.00 0.00 178.44 179.94 1n1d h GLU 22 N 0.74 0.07 -0.52 1.13 4.81 -1.07 -1.21 114.58 118.53 1n1d h GLU 22 Ca 0.05 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1n1d h GLU 22 Cb 1.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1n1d h GLU 22 CO 0.10 0.05 -0.04 0.00 -0.73 0.00 0.00 179.01 178.39 1n1d h ARG 23 N 0.07 0.92 -0.26 1.92 3.08 -1.44 -1.90 114.38 116.77 1n1d h ARG 23 Ca 0.07 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1n1d h ARG 23 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1n1d h ARG 23 CO -0.11 0.93 0.01 0.00 -1.07 0.00 0.00 179.97 179.73 1n1d h ALA 24 N 1.11 0.35 -0.94 0.04 0.00 -1.16 -2.81 119.26 115.86 1n1d h ALA 24 Ca 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n1d h ALA 24 Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1n1d h ALA 24 CO 0.03 0.07 0.61 -0.22 0.00 0.00 0.00 179.25 179.74 1n1d h LYS 25 N 0.24 1.24 -0.14 0.00 1.63 -1.18 -1.90 116.57 116.46 1n1d h LYS 25 Ca 0.08 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 1n1d h LYS 25 Cb 0.39 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1n1d h LYS 25 CO 0.01 0.82 0.15 0.37 -3.45 0.00 0.00 179.45 177.36 1n1d h GLN 26 N 1.27 0.00 -0.00 1.90 4.15 -1.10 -1.22 115.11 120.11 1n1d h GLN 26 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1n1d h GLN 26 Cb -0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1n1d h GLN 26 CO -0.07 0.00 -0.09 1.28 -1.93 0.00 0.00 178.83 178.02 1n1d n LEU 27 N -3.83 0.19 0.00 -2.39 4.77 -0.71 -4.95 117.00 110.07 1n1d n LEU 27 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1n1d n LEU 27 Cb 0.26 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1n1d n LEU 27 CO 0.28 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1n1d n GLY 28 N 1.38 3.37 0.00 -0.72 0.00 -0.46 -5.02 105.19 103.73 1n1d n GLY 28 Ca 0.11 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.19 1n1d n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n1d n ASP 29 N -0.46 0.84 -3.71 1.61 8.00 -0.29 -4.91 116.55 117.64 1n1d n ASP 29 Ca 0.00 -0.80 -0.14 0.00 0.71 0.00 0.00 54.79 54.56 1n1d n ASP 29 Cb 0.00 1.12 -0.09 0.00 -0.02 0.00 0.00 41.12 42.13 1n1d n ASP 29 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1n1d s TYR 30 N -2.81 -0.49 -0.12 1.24 5.04 -1.19 -4.96 117.35 114.06 1n1d s TYR 30 Ca 0.05 1.17 0.02 0.00 -2.44 0.00 0.00 57.07 55.87 1n1d s TYR 30 Cb 0.14 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.64 1n1d s TYR 30 CO 0.76 -0.28 -0.16 -1.17 -1.34 0.00 0.00 175.55 173.36 1n1d s LEU 31 N 0.04 1.77 -0.12 6.97 2.96 -1.26 -1.19 118.68 127.85 1n1d s LEU 31 Ca -0.02 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1n1d s LEU 31 Cb -0.03 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1n1d s LEU 31 CO 0.01 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 1n1d s VAL 32 N 1.00 3.64 -0.05 1.68 1.01 -0.25 -1.47 120.40 125.96 1n1d s VAL 32 Ca -0.06 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1n1d s VAL 32 Cb -0.15 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1n1d s VAL 32 CO -0.02 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 1n1d s VAL 33 N -0.08 1.57 -0.35 2.92 1.01 -0.75 -2.08 120.40 122.64 1n1d s VAL 33 Ca 0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1n1d s VAL 33 Cb -0.13 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1n1d s VAL 33 CO 0.03 0.45 0.11 0.00 0.00 0.00 0.00 175.10 175.69 1n1d s ALA 34 N -0.01 3.01 0.17 5.51 0.00 -0.91 -1.22 121.76 128.32 1n1d s ALA 34 Ca -0.04 -2.02 -0.21 0.00 0.00 0.00 0.00 51.96 49.69 1n1d s ALA 34 Cb -0.12 -2.22 -0.08 0.00 0.00 0.00 0.00 23.12 20.70 1n1d s ALA 34 CO 0.03 -1.48 0.70 0.96 0.00 0.00 0.00 175.76 175.97 1n1d s ILE 35 N 1.27 4.54 0.12 0.00 -5.25 -0.63 -2.69 121.20 118.55 1n1d s ILE 35 Ca 0.00 1.40 -0.31 0.00 -0.99 0.00 0.00 60.65 60.75 1n1d s ILE 35 Cb -0.21 -3.96 -0.08 0.00 2.95 0.00 0.00 42.46 41.16 1n1d s ILE 35 CO -0.01 0.39 1.46 -0.44 -1.79 0.00 0.00 174.94 174.55 1n1d s SER 36 N -1.37 6.74 0.76 4.36 0.01 -0.56 -0.70 113.70 122.94 1n1d s SER 36 Ca 0.37 2.40 -0.11 0.00 1.31 0.00 0.00 55.95 59.93 1n1d s SER 36 Cb -0.19 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.50 1n1d s SER 36 CO 0.22 -0.72 1.10 0.42 0.41 0.00 0.00 173.24 174.66 1n1d s THR 37 N 1.34 3.29 0.51 1.44 -4.23 -0.91 -4.79 115.64 112.29 1n1d s THR 37 Ca 0.67 0.44 0.18 0.00 -1.18 0.00 0.00 61.69 61.81 1n1d s THR 37 Cb -0.39 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 70.79 1n1d s THR 37 CO 0.30 -0.52 2.12 0.44 -0.54 0.00 0.00 174.62 176.42 1n1d h ASP 38 N -0.98 0.00 0.06 3.99 3.32 -1.95 -0.69 116.42 120.18 1n1d h ASP 38 Ca -0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1n1d h ASP 38 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1n1d h ASP 38 CO 0.52 0.06 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.73 1n1d h GLU 39 N 0.00 -0.08 0.00 3.56 3.07 -1.95 -2.64 114.58 116.54 1n1d h GLU 39 Ca -0.00 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1n1d h GLU 39 Cb 0.10 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1n1d h GLU 39 CO 0.01 0.16 -0.26 0.35 -1.40 0.00 0.00 179.01 177.87 1n1d h PHE 40 N -0.31 0.00 -0.65 4.33 3.57 -1.62 -2.17 116.94 120.10 1n1d h PHE 40 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1n1d h PHE 40 Cb 0.27 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1n1d h PHE 40 CO 0.00 0.26 0.27 -0.97 -2.23 0.00 0.00 178.31 175.64 1n1d h ASN 41 N 0.00 0.86 0.07 0.41 -0.00 -0.95 -1.53 115.58 114.43 1n1d h ASN 41 Ca -0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 56.30 56.16 1n1d h ASN 41 Cb 0.57 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 38.66 1n1d h ASN 41 CO 0.03 0.76 -0.09 0.25 -0.00 0.00 0.00 177.43 178.38 1n1d h LEU 42 N 0.92 0.04 -0.25 0.34 7.12 -1.03 0.78 115.31 123.24 1n1d h LEU 42 Ca 0.22 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.22 1n1d h LEU 42 Cb 0.16 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1n1d h LEU 42 CO -0.02 0.14 0.00 0.00 -0.13 0.00 0.00 178.44 178.43 1n1d n GLN 43 N -4.40 0.11 -0.43 1.25 6.02 -0.59 -1.33 117.38 118.01 1n1d n GLN 43 Ca -0.02 0.27 0.09 0.00 -0.01 0.00 0.00 57.00 57.33 1n1d n GLN 43 Cb 0.18 -1.68 0.29 0.00 1.02 0.00 0.00 30.24 30.05 1n1d n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n1d n LYS 44 N -1.88 3.20 -3.27 -1.09 5.02 0.21 -4.95 118.16 115.40 1n1d n LYS 44 Ca 0.04 -2.62 -0.22 0.00 -2.02 0.00 0.00 58.31 53.48 1n1d n LYS 44 Cb 0.25 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1n1d n LYS 44 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n1d n GLN 45 N 0.91 -6.23 -4.26 1.97 3.00 -0.44 -5.01 117.38 107.32 1n1d n GLN 45 Ca 0.21 0.84 -0.15 0.00 -0.01 0.00 0.00 57.00 57.90 1n1d n GLN 45 Cb 0.71 -5.72 -0.10 0.00 0.00 0.00 0.00 30.24 25.13 1n1d n GLN 45 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1n1d s LYS 46 N -5.96 1.11 -0.30 -1.09 1.02 -0.83 -5.01 119.74 108.67 1n1d s LYS 46 Ca 0.43 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.90 1n1d s LYS 46 Cb -0.19 -0.64 0.11 0.00 -0.52 0.00 0.00 37.83 36.59 1n1d s LYS 46 CO 0.53 0.06 0.15 0.21 -0.92 0.00 0.00 175.35 175.38 1n1d s LYS 47 N -3.76 0.23 0.68 1.68 2.36 -1.26 -3.36 119.74 116.31 1n1d s LYS 47 Ca 0.18 -0.59 -0.17 0.00 -2.55 0.00 0.00 55.97 52.84 1n1d s LYS 47 Cb 0.03 -1.14 0.01 0.00 -1.05 0.00 0.00 37.83 35.67 1n1d s LYS 47 CO 0.02 -1.04 1.26 0.00 1.55 0.00 0.00 175.35 177.13 1n1d s ALA 48 N 2.01 2.28 0.20 3.13 0.00 -1.26 -4.94 121.76 123.18 1n1d s ALA 48 Ca 0.10 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1n1d s ALA 48 Cb -0.17 -3.52 0.14 0.00 0.00 0.00 0.00 23.12 19.57 1n1d s ALA 48 CO -0.33 -1.69 1.48 -0.92 0.00 0.00 0.00 175.76 174.31 1n1d h TYR 49 N 0.25 0.35 -3.20 0.00 3.20 -2.01 -3.44 116.97 112.12 1n1d h TYR 49 Ca -0.50 -0.15 -0.66 0.00 3.14 0.00 0.00 58.73 60.56 1n1d h TYR 49 Cb 1.32 -0.05 -0.12 0.00 1.54 0.00 0.00 36.73 39.42 1n1d h TYR 49 CO 0.44 0.88 -0.60 -1.01 -1.64 0.00 0.00 178.16 176.22 1n1d s HIS 50 N -3.57 3.21 0.85 -3.82 3.76 -1.26 -5.10 115.29 109.36 1n1d s HIS 50 Ca -0.04 0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.95 1n1d s HIS 50 Cb 0.11 -1.74 0.10 0.00 1.11 0.00 0.00 32.58 32.16 1n1d s HIS 50 CO 0.81 0.52 1.10 -1.54 -0.85 0.00 0.00 174.74 174.78 1n1d s SER 51 N -1.45 3.78 0.15 1.40 1.04 -1.26 -4.72 113.70 112.64 1n1d s SER 51 Ca 0.19 1.85 -0.25 0.00 0.48 0.00 0.00 55.95 58.22 1n1d s SER 51 Cb -0.12 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1n1d s SER 51 CO 0.10 -2.50 1.59 0.22 0.98 0.00 0.00 173.24 173.63 1n1d h TYR 52 N -1.45 -0.99 -0.63 5.02 3.20 -1.95 -0.85 116.97 119.32 1n1d h TYR 52 Ca -0.45 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1n1d h TYR 52 Cb 1.25 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 39.97 1n1d h TYR 52 CO 0.52 -0.41 0.40 0.93 -1.64 0.00 0.00 178.16 177.96 1n1d h GLU 53 N -0.32 0.83 -0.22 1.82 4.39 -1.96 -1.22 114.58 117.90 1n1d h GLU 53 Ca 0.14 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 1n1d h GLU 53 Cb 0.56 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1n1d h GLU 53 CO -0.49 0.57 -0.45 0.45 -1.16 0.00 0.00 179.01 177.93 1n1d h HIS 54 N 0.85 0.89 -0.16 4.33 3.86 -1.80 -1.17 115.15 121.94 1n1d h HIS 54 Ca 0.23 -0.32 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 1n1d h HIS 54 Cb -0.07 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1n1d h HIS 54 CO 0.00 1.10 -0.23 0.00 0.86 0.00 0.00 177.93 179.66 1n1d h ARG 55 N 0.41 0.29 -0.25 2.45 3.08 -0.91 -2.63 114.38 116.83 1n1d h ARG 55 Ca 0.01 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1n1d h ARG 55 Cb 1.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1n1d h ARG 55 CO 0.10 0.51 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.90 1n1d h LYS 56 N 0.26 0.70 -0.71 0.04 3.64 -1.10 -1.94 116.57 117.47 1n1d h LYS 56 Ca 0.04 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1n1d h LYS 56 Cb 0.56 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1n1d h LYS 56 CO 0.04 1.05 0.46 1.25 -2.27 0.00 0.00 179.45 179.97 1n1d h LEU 57 N 0.43 0.83 0.26 5.20 7.12 -1.05 -2.15 115.31 125.95 1n1d h LEU 57 Ca 0.02 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1n1d h LEU 57 Cb 0.99 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1n1d h LEU 57 CO 0.09 0.62 -0.13 0.40 -0.13 0.00 0.00 178.44 179.29 1n1d h ILE 58 N 0.97 0.79 -0.51 4.05 2.04 -1.42 -3.18 117.51 120.24 1n1d h ILE 58 Ca 0.26 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1n1d h ILE 58 Cb -0.09 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1n1d h ILE 58 CO -0.05 0.08 0.09 0.25 0.00 0.00 0.00 178.15 178.52 1n1d h LEU 59 N -0.56 -0.02 -0.61 1.44 6.46 -1.28 -1.98 115.31 118.75 1n1d h LEU 59 Ca -0.04 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1n1d h LEU 59 Cb 0.41 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1n1d h LEU 59 CO 0.06 0.02 0.21 -0.62 -0.62 0.00 0.00 178.44 177.48 1n1d n GLU 60 N -5.13 0.06 0.06 1.25 1.02 -0.82 -1.12 120.64 115.97 1n1d n GLU 60 Ca 0.06 0.49 0.11 0.00 -0.02 0.00 0.00 57.16 57.80 1n1d n GLU 60 Cb 0.26 -1.91 0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1n1d n GLU 60 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1n1d n THR 61 N -1.81 0.37 -2.03 2.62 -2.24 -0.74 -4.88 114.28 105.56 1n1d n THR 61 Ca -0.01 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1n1d n THR 61 Cb 0.22 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1n1d n THR 61 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1n1d s ILE 62 N -3.27 3.46 0.36 2.28 -1.09 -0.28 -4.90 121.20 117.76 1n1d s ILE 62 Ca 0.02 0.72 0.16 0.00 -2.23 0.00 0.00 60.65 59.33 1n1d s ILE 62 Cb 0.12 -3.47 0.36 0.00 -1.58 0.00 0.00 42.46 37.90 1n1d s ILE 62 CO 0.78 -0.03 1.71 -0.09 -1.23 0.00 0.00 174.94 176.08 1n1d h ARG 63 N 8.85 0.38 0.00 2.79 2.43 -1.90 -0.76 114.38 126.17 1n1d h ARG 63 Ca -0.40 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1n1d h ARG 63 Cb 1.18 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1n1d h ARG 63 CO 0.94 0.25 -0.23 1.88 -1.51 0.00 0.00 179.97 181.30 1n1d h TYR 64 N 0.39 0.00 -3.38 2.20 0.99 -1.93 -3.43 116.97 111.82 1n1d h TYR 64 Ca 0.68 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.82 1n1d h TYR 64 Cb 1.60 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 39.25 1n1d h TYR 64 CO -0.01 0.23 0.23 0.08 -0.00 0.00 0.00 178.16 178.69 1n1d s VAL 65 N -4.11 4.96 -0.04 -2.88 1.01 -0.29 -4.44 120.40 114.61 1n1d s VAL 65 Ca -0.02 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 1n1d s VAL 65 Cb 0.13 -4.01 -0.28 0.00 0.00 0.00 0.00 36.38 32.22 1n1d s VAL 65 CO 0.65 0.07 0.68 0.44 0.00 0.00 0.00 175.10 176.94 1n1d h ASP 66 N 7.48 0.43 -4.83 3.32 5.19 -1.53 -3.46 116.42 123.02 1n1d h ASP 66 Ca -0.30 -0.70 -0.00 0.00 -0.62 0.00 0.00 57.03 55.41 1n1d h ASP 66 Cb 1.13 -0.14 -0.16 0.00 0.18 0.00 0.00 39.33 40.34 1n1d h ASP 66 CO 0.80 1.60 0.29 -1.83 -3.12 0.00 0.00 179.24 176.98 1n1d s GLU 67 N -2.59 1.04 -0.04 3.56 -1.05 -1.18 -5.05 118.70 113.38 1n1d s GLU 67 Ca -0.13 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.62 1n1d s GLU 67 Cb 0.06 0.49 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1n1d s GLU 67 CO 0.83 -0.40 -0.16 0.08 0.95 0.00 0.00 175.26 176.56 1n1d s VAL 68 N -2.40 1.35 0.27 1.83 1.01 -1.26 -1.82 120.40 119.38 1n1d s VAL 68 Ca -0.03 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1n1d s VAL 68 Cb -0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1n1d s VAL 68 CO -0.02 0.39 -0.03 0.27 0.00 0.00 0.00 175.10 175.70 1n1d s ILE 69 N 0.06 1.45 0.32 2.22 -4.36 -0.36 -4.99 121.20 115.54 1n1d s ILE 69 Ca -0.04 -2.09 -0.20 0.00 -0.26 0.00 0.00 60.65 58.06 1n1d s ILE 69 Cb -0.11 -2.45 -0.09 0.00 1.25 0.00 0.00 42.46 41.05 1n1d s ILE 69 CO 0.02 -0.28 0.83 -2.84 0.24 0.00 0.00 174.94 172.91 1n1d s PRO 70 N -3.77 4.27 -0.39 0.37 0.02 -1.26 -1.61 135.00 132.62 1n1d s PRO 70 Ca 0.30 1.00 -0.04 0.00 0.02 0.00 0.00 61.00 62.27 1n1d s PRO 70 Cb 0.05 -2.59 0.09 0.00 0.02 0.00 0.00 34.50 32.07 1n1d s PRO 70 CO 0.11 0.21 0.18 -2.00 -0.33 0.00 0.00 177.00 175.17 1n1d s GLU 71 N -2.51 2.20 -0.09 5.54 2.12 0.12 -4.78 118.70 121.30 1n1d s GLU 71 Ca 0.52 -1.65 0.20 0.00 0.36 0.00 0.00 54.97 54.40 1n1d s GLU 71 Cb -0.14 -3.55 -0.28 0.00 0.26 0.00 0.00 34.13 30.42 1n1d s GLU 71 CO 0.19 -0.97 0.35 1.63 -0.54 0.00 0.00 175.26 175.92 1n1d n LYS 72 N 4.66 0.67 -3.73 4.30 5.02 -1.26 -2.15 118.16 125.67 1n1d n LYS 72 Ca -0.06 -0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 1n1d n LYS 72 Cb 0.42 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1n1d n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n1d s ASN 73 N -5.03 -0.32 0.21 4.39 2.20 -1.26 -4.46 114.94 110.68 1n1d s ASN 73 Ca -0.08 -0.42 -0.06 0.00 -0.94 0.00 0.00 52.86 51.36 1n1d s ASN 73 Cb 0.10 0.65 0.17 0.00 -2.00 0.00 0.00 41.25 40.17 1n1d s ASN 73 CO 0.87 -1.17 1.69 -0.50 -2.94 0.00 0.00 177.10 175.06 1n1d h TRP 74 N 2.00 1.07 0.00 1.54 4.06 -1.99 -3.24 115.95 119.39 1n1d h TRP 74 Ca -0.23 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.55 1n1d h TRP 74 Cb 1.26 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1n1d h TRP 74 CO 0.37 0.94 0.00 -0.85 -3.56 0.00 0.00 178.44 175.34 1n1d n GLU 75 N -4.20 0.17 0.05 0.49 0.00 -1.26 -3.57 120.64 112.32 1n1d n GLU 75 Ca 0.03 0.45 0.10 0.00 0.00 0.00 0.00 57.16 57.75 1n1d n GLU 75 Cb 0.32 -1.86 0.43 0.00 0.00 0.00 0.00 31.44 30.33 1n1d n GLU 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n1d n GLN 76 N -2.18 0.09 0.01 3.44 10.64 -1.23 -4.19 117.38 123.95 1n1d n GLN 76 Ca 0.02 0.25 -0.10 0.00 -1.83 0.00 0.00 57.00 55.34 1n1d n GLN 76 Cb 0.19 -1.64 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 1n1d n GLN 76 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1n1d h LYS 77 N 0.00 -0.21 -0.55 2.61 1.57 -1.82 -1.47 116.57 116.70 1n1d h LYS 77 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1n1d h LYS 77 Cb 0.39 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1n1d h LYS 77 CO 0.00 -0.14 0.26 0.87 -0.57 0.00 0.00 179.45 179.87 1n1d h LYS 78 N -0.22 0.47 -0.70 3.15 1.57 -1.90 -2.15 116.57 116.80 1n1d h LYS 78 Ca 0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1n1d h LYS 78 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1n1d h LYS 78 CO -0.24 0.31 0.22 0.37 -0.57 0.00 0.00 179.45 179.54 1n1d h GLN 79 N 0.49 1.08 -0.38 3.15 5.75 -1.77 -2.88 115.11 120.56 1n1d h GLN 79 Ca 0.25 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 1n1d h GLN 79 Cb 0.20 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 1n1d h GLN 79 CO -0.20 0.93 0.10 -0.44 -2.65 0.00 0.00 178.83 176.57 1n1d h ASP 80 N 1.02 0.07 -0.47 -0.69 3.45 -0.69 0.60 116.42 119.70 1n1d h ASP 80 Ca 0.22 0.05 0.06 0.00 0.43 0.00 0.00 57.03 57.79 1n1d h ASP 80 Cb 0.30 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 1n1d h ASP 80 CO -0.01 0.07 0.32 0.40 -1.57 0.00 0.00 179.24 178.45 1n1d h ILE 81 N 0.24 0.98 0.02 0.35 2.04 -1.20 0.15 117.51 120.09 1n1d h ILE 81 Ca 0.18 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1n1d h ILE 81 Cb 0.19 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1n1d h ILE 81 CO -0.21 0.08 -0.01 0.40 0.00 0.00 0.00 178.15 178.41 1n1d h ILE 82 N 0.42 1.40 -0.93 -0.67 2.04 -1.18 -1.34 117.51 117.26 1n1d h ILE 82 Ca 0.20 -1.90 0.03 0.00 1.00 0.00 0.00 64.86 64.19 1n1d h ILE 82 Cb 0.28 2.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1n1d h ILE 82 CO -0.05 0.45 0.61 0.44 0.00 0.00 0.00 178.15 179.60 1n1d h ASP 83 N -0.93 1.01 -0.49 1.72 3.32 -0.60 -2.79 116.42 117.65 1n1d h ASP 83 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1n1d h ASP 83 Cb 0.75 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1n1d h ASP 83 CO 0.00 0.70 0.00 1.41 -1.72 0.00 0.00 179.24 179.63 1n1d n HIS 84 N -4.44 0.65 -3.91 4.55 8.25 0.51 -4.96 115.22 115.87 1n1d n HIS 84 Ca 0.12 -0.32 -0.28 0.00 -0.26 0.00 0.00 57.72 56.98 1n1d n HIS 84 Cb 0.10 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.22 1n1d n HIS 84 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1n1d n ASN 85 N 1.20 -2.64 -4.75 0.41 3.02 -0.98 -4.91 115.26 106.62 1n1d n ASN 85 Ca 0.19 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.46 1n1d n ASN 85 Cb 0.51 -3.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.06 1n1d n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1n1d s ILE 86 N -3.54 3.33 -0.06 2.41 -1.09 -0.54 -4.47 121.20 117.24 1n1d s ILE 86 Ca 0.36 1.17 0.09 0.00 -2.23 0.00 0.00 60.65 60.04 1n1d s ILE 86 Cb -0.18 -3.75 -0.14 0.00 -1.58 0.00 0.00 42.46 36.81 1n1d s ILE 86 CO 0.85 0.21 0.11 0.47 -1.23 0.00 0.00 174.94 175.36 1n1d n ASP 87 N 2.08 2.59 -3.84 3.58 9.92 0.75 -4.84 116.55 126.79 1n1d n ASP 87 Ca 0.03 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.13 1n1d n ASP 87 Cb 0.44 1.04 -0.16 0.00 -0.64 0.00 0.00 41.12 41.80 1n1d n ASP 87 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1n1d s VAL 88 N -2.43 0.19 -0.17 2.53 1.01 -0.39 -2.32 120.40 118.82 1n1d s VAL 88 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1n1d s VAL 88 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1n1d s VAL 88 CO 0.42 0.12 -0.08 0.12 0.00 0.00 0.00 175.10 175.68 1n1d s PHE 89 N 0.75 2.91 -0.01 5.22 5.36 -0.06 -1.03 117.98 131.11 1n1d s PHE 89 Ca -0.07 -0.69 0.05 0.00 -0.96 0.00 0.00 56.93 55.25 1n1d s PHE 89 Cb -0.11 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1n1d s PHE 89 CO -0.01 -0.30 -0.15 0.08 -1.46 0.00 0.00 175.22 173.37 1n1d s VAL 90 N 0.75 1.22 -0.01 3.12 1.01 -0.58 -0.63 120.40 125.29 1n1d s VAL 90 Ca -0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1n1d s VAL 90 Cb -0.15 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1n1d s VAL 90 CO 0.02 0.31 0.32 -0.04 0.00 0.00 0.00 175.10 175.71 1n1d s MET 91 N -0.45 0.69 1.05 2.72 -1.94 -0.97 -4.35 119.30 116.04 1n1d s MET 91 Ca 0.06 -0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 1n1d s MET 91 Cb -0.06 0.31 0.22 0.00 2.01 0.00 0.00 34.83 37.30 1n1d s MET 91 CO -0.00 -0.19 1.07 0.20 -0.01 0.00 0.00 175.02 176.09 1n1d s GLY 92 N -1.37 1.59 0.00 -0.03 0.00 -1.26 -1.69 107.32 104.56 1n1d s GLY 92 Ca -0.13 0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.79 1n1d s GLY 92 CO 0.04 0.66 1.27 2.09 0.00 0.00 0.00 173.10 177.17 1n1d n ASP 93 N -4.55 0.00 -0.15 1.64 3.85 0.31 -2.33 116.55 115.32 1n1d n ASP 93 Ca 0.06 -0.82 0.13 0.00 -0.71 0.00 0.00 54.79 53.45 1n1d n ASP 93 Cb 0.54 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 41.00 1n1d n ASP 93 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1n1d n ASP 94 N -0.84 0.45 -0.05 -1.12 3.85 -1.26 -2.69 116.55 114.89 1n1d n ASP 94 Ca 0.10 -1.30 0.02 0.00 -0.71 0.00 0.00 54.79 52.91 1n1d n ASP 94 Cb 0.05 -0.01 0.04 0.00 -1.35 0.00 0.00 41.12 39.84 1n1d n ASP 94 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1n1d n TRP 95 N -0.58 0.03 -1.67 2.11 7.02 -0.98 -5.04 117.44 118.33 1n1d n TRP 95 Ca 0.19 -0.60 -0.64 0.00 -1.02 0.00 0.00 57.50 55.43 1n1d n TRP 95 Cb 0.16 -0.07 -0.09 0.00 -2.42 0.00 0.00 31.31 28.89 1n1d n TRP 95 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1n1d n GLU 96 N -0.62 0.08 0.00 -0.99 4.07 -1.09 -0.69 120.64 121.40 1n1d n GLU 96 Ca 0.04 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1n1d n GLU 96 Cb 0.34 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1n1d n GLU 96 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n1d n GLY 97 N 3.23 2.43 0.32 8.31 0.00 -1.26 -4.84 105.19 113.38 1n1d n GLY 97 Ca 0.27 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.49 1n1d n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n1d h LYS 98 N 0.89 0.00 -0.37 1.61 1.79 -1.32 -2.90 116.57 116.27 1n1d h LYS 98 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1n1d h LYS 98 Cb 0.00 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.40 1n1d h LYS 98 CO 0.00 0.00 -0.73 1.19 -1.08 0.00 0.00 179.45 178.83 1n1d n PHE 99 N -3.37 1.35 0.46 -1.35 3.01 -1.26 -4.76 117.46 111.54 1n1d n PHE 99 Ca -0.03 -1.81 0.10 0.00 1.01 0.00 0.00 57.45 56.72 1n1d n PHE 99 Cb 0.08 -0.28 0.42 0.00 -0.01 0.00 0.00 39.48 39.69 1n1d n PHE 99 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1n1d n ASP 100 N -0.79 0.40 0.02 4.37 8.00 -1.10 -2.40 116.55 125.06 1n1d n ASP 100 Ca 0.29 0.59 0.10 0.00 0.71 0.00 0.00 54.79 56.48 1n1d n ASP 100 Cb 0.86 -0.68 0.41 0.00 -0.02 0.00 0.00 41.12 41.68 1n1d n ASP 100 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1n1d n PHE 101 N -1.94 0.15 1.33 1.24 1.16 -1.26 -2.04 117.46 116.10 1n1d n PHE 101 Ca 0.03 0.06 0.14 0.00 -1.87 0.00 0.00 57.45 55.80 1n1d n PHE 101 Cb 0.22 -0.59 0.49 0.00 -1.61 0.00 0.00 39.48 37.99 1n1d n PHE 101 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1n1d n LEU 102 N -1.64 0.82 0.30 5.98 4.77 -1.01 -4.25 117.00 121.97 1n1d n LEU 102 Ca 0.04 -0.16 0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1n1d n LEU 102 Cb 0.23 -0.14 0.96 0.00 -2.33 0.00 0.00 43.42 42.14 1n1d n LEU 102 CO 0.18 0.15 1.12 0.11 -1.33 0.00 0.00 177.39 177.62 1n1d h LYS 103 N 1.00 0.00 -0.00 3.23 1.57 -1.58 -0.56 116.57 120.24 1n1d h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n1d h LYS 103 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1n1d h LYS 103 CO 0.00 0.02 -0.02 -0.40 -0.57 0.00 0.00 179.45 178.48 1n1d n ASP 104 N -3.61 0.05 -0.07 0.86 5.75 -1.26 -3.81 116.55 114.46 1n1d n ASP 104 Ca -0.03 -0.03 -0.09 0.00 -0.01 0.00 0.00 54.79 54.63 1n1d n ASP 104 Cb 0.11 -0.31 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 1n1d n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n1d n GLN 105 N -1.31 1.07 -3.82 0.11 6.02 -0.28 -5.09 117.38 114.08 1n1d n GLN 105 Ca 0.12 0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1n1d n GLN 105 Cb 0.27 -1.33 0.02 0.00 1.02 0.00 0.00 30.24 30.22 1n1d n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n1d s GLU 107 N -2.50 4.65 -0.18 0.00 2.12 -0.98 -4.20 118.70 117.60 1n1d s GLU 107 Ca 0.15 1.51 -0.04 0.00 0.36 0.00 0.00 54.97 56.96 1n1d s GLU 107 Cb -0.05 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1n1d s GLU 107 CO 0.11 0.13 -0.04 0.08 -0.54 0.00 0.00 175.26 175.00 1n1d s VAL 108 N 0.14 3.64 -0.06 3.70 1.01 -1.26 -0.88 120.40 126.68 1n1d s VAL 108 Ca 0.49 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1n1d s VAL 108 Cb -0.24 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1n1d s VAL 108 CO 0.30 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 174.99 1n1d s VAL 109 N 0.88 1.53 -0.23 2.92 1.01 0.20 -4.99 120.40 121.73 1n1d s VAL 109 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1n1d s VAL 109 Cb -0.15 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1n1d s VAL 109 CO 0.01 0.44 -0.06 -0.31 0.00 0.00 0.00 175.10 175.18 1n1d s TYR 110 N 0.25 2.99 -0.04 5.22 1.51 -1.26 -2.29 117.35 123.73 1n1d s TYR 110 Ca -0.10 -1.28 -0.02 0.00 -1.01 0.00 0.00 57.07 54.66 1n1d s TYR 110 Cb -0.14 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1n1d s TYR 110 CO 0.04 -0.66 0.10 -0.51 -1.11 0.00 0.00 175.55 173.41 1n1d s LEU 111 N 1.39 4.04 0.24 -1.29 1.43 -0.68 -4.78 118.68 119.04 1n1d s LEU 111 Ca 0.03 0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 1n1d s LEU 111 Cb -0.15 -2.22 -0.11 0.00 0.03 0.00 0.00 46.19 43.74 1n1d s LEU 111 CO -0.05 0.32 1.58 -2.16 0.23 0.00 0.00 176.35 176.27 1n1d s PRO 112 N -1.49 4.17 1.04 1.29 0.04 -1.26 0.11 135.00 138.90 1n1d s PRO 112 Ca 0.21 2.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 1n1d s PRO 112 Cb -0.12 -3.07 0.22 0.00 0.04 0.00 0.00 34.50 31.56 1n1d s PRO 112 CO 0.11 -0.60 1.08 1.03 0.04 0.00 0.00 177.00 178.65 1n1d s ARG 113 N 0.13 0.04 -0.17 4.56 0.52 -1.26 -4.77 118.95 117.99 1n1d s ARG 113 Ca 0.66 1.08 -0.17 0.00 -0.52 0.00 0.00 55.73 56.78 1n1d s ARG 113 Cb -0.46 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1n1d s ARG 113 CO 0.41 -3.15 0.46 0.99 0.02 0.00 0.00 175.30 174.03 1n1d s THR 114 N -2.59 5.17 0.45 0.02 2.01 -1.26 -5.03 115.64 114.40 1n1d s THR 114 Ca 0.67 0.86 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 1n1d s THR 114 Cb -0.23 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 1n1d s THR 114 CO 0.61 0.25 0.85 -1.61 -0.69 0.00 0.00 174.62 174.04 1n1d s GLU 115 N 1.19 3.82 0.00 4.92 0.41 -1.26 -4.26 118.70 123.51 1n1d s GLU 115 Ca 0.23 0.63 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1n1d s GLU 115 Cb -0.15 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 1n1d s GLU 115 CO 0.09 -0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 1n1d n GLY 116 N -1.47 0.75 3.36 -1.39 0.00 -1.26 -5.05 105.19 100.13 1n1d n GLY 116 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1n1d n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1n1d s ILE 117 N -2.40 -0.00 -0.20 -0.61 1.10 -1.26 -5.12 121.20 112.70 1n1d s ILE 117 Ca 0.00 0.01 -0.12 0.00 -0.51 0.00 0.00 60.65 60.03 1n1d s ILE 117 Cb 0.00 -0.66 0.06 0.00 0.15 0.00 0.00 42.46 42.02 1n1d s ILE 117 CO 0.00 0.01 0.50 -0.55 -2.11 0.00 0.00 174.94 172.79 1n1d s SER 118 N 0.44 -0.64 0.29 4.50 0.15 -1.26 -4.95 113.70 112.24 1n1d s SER 118 Ca -0.02 1.08 0.03 0.00 0.70 0.00 0.00 55.95 57.74 1n1d s SER 118 Cb -0.04 0.98 0.46 0.00 -1.71 0.00 0.00 66.02 65.71 1n1d s SER 118 CO -0.02 -0.20 1.77 0.74 1.20 0.00 0.00 173.24 176.73 1n1d h THR 119 N 5.23 1.24 -0.61 6.45 2.02 -1.93 -0.78 112.91 124.53 1n1d h THR 119 Ca -0.34 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 65.67 1n1d h THR 119 Cb 1.19 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1n1d h THR 119 CO 0.24 0.36 0.08 0.74 0.37 0.00 0.00 175.52 177.31 1n1d h THR 120 N 0.48 1.26 -0.06 3.16 2.02 -1.95 -2.85 112.91 114.96 1n1d h THR 120 Ca 0.08 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 1n1d h THR 120 Cb 0.55 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1n1d h THR 120 CO 0.04 0.37 0.02 0.50 0.37 0.00 0.00 175.52 176.82 1n1d h LYS 121 N 0.94 0.09 -0.39 6.66 1.63 -1.78 -2.52 116.57 121.20 1n1d h LYS 121 Ca 0.19 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 1n1d h LYS 121 Cb 0.43 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.96 1n1d h LYS 121 CO 0.01 0.25 -0.27 0.82 -3.45 0.00 0.00 179.45 176.81 1n1d h ILE 122 N -0.08 0.30 -0.11 2.00 2.04 -1.03 0.30 117.51 120.93 1n1d h ILE 122 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1n1d h ILE 122 Cb 0.19 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1n1d h ILE 122 CO -0.00 0.00 -0.10 0.11 0.00 0.00 0.00 178.15 178.16 1n1d h LYS 123 N -0.21 -0.11 -0.64 2.37 1.79 -1.46 -1.63 116.57 116.67 1n1d h LYS 123 Ca 0.18 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1n1d h LYS 123 Cb 0.50 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1n1d h LYS 123 CO -0.51 -0.07 0.43 1.49 -1.08 0.00 0.00 179.45 179.70 1n1d h GLU 124 N -0.12 0.84 -0.21 3.15 4.81 -0.94 -2.22 114.58 119.88 1n1d h GLU 124 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1n1d h GLU 124 Cb 0.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1n1d h GLU 124 CO -0.18 0.55 0.00 0.39 -0.73 0.00 0.00 179.01 179.04 1n1d n GLU 125 N -4.44 0.21 0.00 1.92 -0.58 1.00 -5.10 120.64 113.65 1n1d n GLU 125 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1n1d n GLU 125 Cb 0.05 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1n1d n GLU 125 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76