#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1d s ASP 2 N 0.00 0.94 -0.24 7.83 1.11 0.38 -4.78 116.67 121.92 2g1d s ASP 2 Ca 0.00 -0.46 -0.01 0.00 0.18 0.00 0.00 52.55 52.26 2g1d s ASP 2 Cb 0.00 -0.00 0.03 0.00 1.07 0.00 0.00 42.92 44.01 2g1d s ASP 2 CO 0.00 -0.12 -0.09 -0.22 1.18 0.00 0.00 175.17 175.92 2g1d s LEU 3 N -1.27 3.04 -0.37 1.23 1.98 -1.24 0.12 118.68 122.17 2g1d s LEU 3 Ca -0.06 -0.87 -0.12 0.00 -2.89 0.00 0.00 54.13 50.19 2g1d s LEU 3 Cb -0.08 -1.63 0.02 0.00 0.66 0.00 0.00 46.19 45.16 2g1d s LEU 3 CO 0.01 -0.11 0.22 -0.63 -1.89 0.00 0.00 176.35 173.94 2g1d s ILE 4 N 1.30 4.72 -0.00 6.68 -1.09 0.18 -4.88 121.20 128.11 2g1d s ILE 4 Ca 0.00 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 2g1d s ILE 4 Cb -0.16 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 2g1d s ILE 4 CO -0.06 -0.21 -0.09 0.27 -1.23 0.00 0.00 174.94 173.63 2g1d s ILE 5 N 1.59 3.50 -0.41 2.92 -5.25 -1.26 -0.28 121.20 122.01 2g1d s ILE 5 Ca 0.03 -0.79 0.11 0.00 -0.99 0.00 0.00 60.65 59.01 2g1d s ILE 5 Cb -0.19 -2.50 0.41 0.00 2.95 0.00 0.00 42.46 43.13 2g1d s ILE 5 CO 0.07 0.42 0.96 1.17 -1.79 0.00 0.00 174.94 175.78 2g1d n LYS 6 N 1.68 2.21 -1.73 0.37 4.81 0.10 -4.98 118.16 120.62 2g1d n LYS 6 Ca -0.16 -3.95 -0.42 0.00 -0.87 0.00 0.00 58.31 52.90 2g1d n LYS 6 Cb 0.52 -1.82 -0.02 0.00 0.02 0.00 0.00 35.03 33.74 2g1d n LYS 6 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2g1d n GLU 7 N -0.17 2.58 -3.98 1.64 4.71 -1.26 -2.53 120.64 121.64 2g1d n GLU 7 Ca 0.25 0.92 -0.18 0.00 -0.01 0.00 0.00 57.16 58.14 2g1d n GLU 7 Cb 0.67 -2.68 -0.16 0.00 -1.01 0.00 0.00 31.44 28.26 2g1d n GLU 7 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2g1d s LYS 8 N -0.45 0.45 -0.03 3.49 1.02 -0.18 -4.90 119.74 119.14 2g1d s LYS 8 Ca 0.65 0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.71 2g1d s LYS 8 Cb -0.52 -0.60 -0.00 0.00 -0.52 0.00 0.00 37.83 36.19 2g1d s LYS 8 CO 0.48 -0.13 -0.13 -0.98 -0.92 0.00 0.00 175.35 173.68 2g1d s ARG 9 N 1.04 1.30 -0.18 1.68 1.70 -1.26 0.84 118.95 124.08 2g1d s ARG 9 Ca -0.09 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2g1d s ARG 9 Cb -0.14 -1.18 0.04 0.00 -0.57 0.00 0.00 34.95 33.11 2g1d s ARG 9 CO -0.01 0.18 -0.09 0.34 -1.08 0.00 0.00 175.30 174.64 2g1d s ASP 10 N 0.09 3.05 -0.28 -2.89 -1.08 -0.55 -4.93 116.67 110.08 2g1d s ASP 10 Ca -0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 52.55 51.24 2g1d s ASP 10 Cb -0.09 -1.09 0.03 0.00 -1.46 0.00 0.00 42.92 40.31 2g1d s ASP 10 CO 0.01 -0.15 0.00 0.54 0.52 0.00 0.00 175.17 176.09 2g1d s ASN 11 N 1.51 4.75 0.00 -0.34 2.20 -1.24 -1.82 114.94 120.01 2g1d s ASN 11 Ca 0.00 -0.99 0.00 0.00 -0.94 0.00 0.00 52.86 50.93 2g1d s ASN 11 Cb -0.15 -1.74 0.00 0.00 -2.00 0.00 0.00 41.25 37.36 2g1d s ASN 11 CO -0.08 -0.20 0.00 -0.81 -2.94 0.00 0.00 177.10 173.07 2g1d n PRO 12 N 4.71 0.00 -0.01 3.55 -0.04 -1.26 -4.72 135.00 137.22 2g1d n PRO 12 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2g1d n PRO 12 Cb 0.46 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.92 2g1d n PRO 12 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2g1d h ILE 13 N 0.00 1.31 -0.50 0.52 -2.65 -2.01 -3.29 117.51 110.89 2g1d h ILE 13 Ca 0.00 -1.86 0.00 0.00 1.03 0.00 0.00 64.86 64.03 2g1d h ILE 13 Cb 0.00 1.82 0.00 0.00 -2.05 0.00 0.00 36.82 36.59 2g1d h ILE 13 CO 0.00 0.59 0.00 0.00 0.03 0.00 0.00 178.15 178.77 2g1d n LEU 14 N -3.95 4.05 -3.88 0.16 -0.00 -1.26 -5.01 117.00 107.11 2g1d n LEU 14 Ca -0.04 -2.40 -0.31 0.00 -0.00 0.00 0.00 56.01 53.26 2g1d n LEU 14 Cb 0.65 -0.47 0.01 0.00 -0.00 0.00 0.00 43.42 43.61 2g1d n LEU 14 CO 0.49 0.78 -0.18 2.29 -0.00 0.00 0.00 177.39 180.77 2g1d n LYS 15 N 0.70 -2.04 -3.58 1.47 0.00 -1.24 -4.14 118.16 109.33 2g1d n LYS 15 Ca 0.21 0.37 -0.33 0.00 -0.00 0.00 0.00 58.31 58.56 2g1d n LYS 15 Cb 0.75 -4.09 -0.05 0.00 -0.00 0.00 0.00 35.03 31.64 2g1d n LYS 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2g1d s ARG 16 N -6.48 3.71 0.11 -1.58 1.70 -0.76 -3.18 118.95 112.48 2g1d s ARG 16 Ca 0.24 0.09 0.03 0.00 -0.47 0.00 0.00 55.73 55.62 2g1d s ARG 16 Cb -0.10 -2.85 -0.04 0.00 -0.57 0.00 0.00 34.95 31.39 2g1d s ARG 16 CO 0.89 0.46 -0.08 -1.59 -1.08 0.00 0.00 175.30 173.90 2g1d s LYS 17 N -2.43 0.89 -0.20 3.89 0.00 -1.12 -1.48 119.74 119.29 2g1d s LYS 17 Ca 0.40 -1.32 -0.01 0.00 0.00 0.00 0.00 55.97 55.04 2g1d s LYS 17 Cb -0.13 -0.38 0.06 0.00 0.00 0.00 0.00 37.83 37.38 2g1d s LYS 17 CO 0.22 0.03 -0.00 -1.21 0.00 0.00 0.00 175.35 174.38 2g1d s GLU 18 N -3.55 1.05 0.06 1.78 2.02 0.25 -2.84 118.70 117.47 2g1d s GLU 18 Ca 0.11 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 54.55 2g1d s GLU 18 Cb 0.03 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2g1d s GLU 18 CO -0.02 -0.59 -0.13 0.96 0.02 0.00 0.00 175.26 175.49 2g1d s ILE 19 N 1.69 1.05 -0.10 -1.63 -0.00 -0.91 -1.01 121.20 120.29 2g1d s ILE 19 Ca -0.02 -1.22 -0.13 0.00 -0.00 0.00 0.00 60.65 59.29 2g1d s ILE 19 Cb -0.17 -1.01 -0.05 0.00 -0.00 0.00 0.00 42.46 41.23 2g1d s ILE 19 CO -0.07 -0.19 0.29 -1.59 -0.00 0.00 0.00 174.94 173.38 2g1d s LYS 20 N -1.60 3.95 0.03 0.37 0.00 -1.05 0.36 119.74 121.80 2g1d s LYS 20 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.10 2g1d s LYS 20 Cb -0.10 -3.30 -0.02 0.00 0.00 0.00 0.00 37.83 34.41 2g1d s LYS 20 CO 0.02 0.51 -0.04 1.52 0.00 0.00 0.00 175.35 177.37 2g1d s TYR 21 N -0.39 0.36 -0.04 1.78 1.13 -0.71 0.03 117.35 119.51 2g1d s TYR 21 Ca 0.19 -0.62 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 2g1d s TYR 21 Cb -0.14 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.49 2g1d s TYR 21 CO 0.07 -0.21 -0.05 0.08 -2.51 0.00 0.00 175.55 172.93 2g1d s VAL 22 N -1.90 0.50 -0.22 -3.49 1.01 0.62 -1.45 120.40 115.47 2g1d s VAL 22 Ca -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2g1d s VAL 22 Cb -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2g1d s VAL 22 CO -0.02 0.20 0.01 -0.22 0.00 0.00 0.00 175.10 175.07 2g1d s LEU 23 N 0.72 3.19 -0.27 3.92 2.96 0.38 0.52 118.68 130.10 2g1d s LEU 23 Ca -0.09 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 2g1d s LEU 23 Cb -0.13 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2g1d s LEU 23 CO 0.00 0.01 0.18 -0.54 -1.32 0.00 0.00 176.35 174.68 2g1d s LYS 24 N 1.33 3.95 -0.11 1.98 1.02 0.32 -1.16 119.74 127.08 2g1d s LYS 24 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2g1d s LYS 24 Cb -0.15 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 2g1d s LYS 24 CO 0.01 -0.15 -0.11 -0.59 -0.92 0.00 0.00 175.35 173.58 2g1d s PHE 25 N 1.67 2.83 0.28 3.18 -0.71 -1.24 0.14 117.98 124.14 2g1d s PHE 25 Ca 0.07 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.56 2g1d s PHE 25 Cb -0.16 -1.80 -0.04 0.00 -1.21 0.00 0.00 43.02 39.81 2g1d s PHE 25 CO 0.10 -0.05 0.14 0.16 -1.34 0.00 0.00 175.22 174.23 2g1d s ASP 26 N 0.01 1.29 0.43 1.98 -4.77 -1.26 -4.73 116.67 109.61 2g1d s ASP 26 Ca -0.03 -1.49 0.00 0.00 -3.30 0.00 0.00 52.55 47.73 2g1d s ASP 26 Cb -0.14 0.31 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 2g1d s ASP 26 CO 0.04 -0.83 0.00 -1.20 0.70 0.00 0.00 175.17 173.88 2g1d n SER 27 N -0.72 -1.58 -3.81 2.11 7.64 -1.26 -3.05 113.62 112.95 2g1d n SER 27 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2g1d n SER 27 Cb 0.65 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 2g1d n SER 27 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2g1d n SER 28 N -3.57 1.72 -4.68 6.43 3.41 -1.26 -4.86 113.62 110.81 2g1d n SER 28 Ca 0.00 -2.57 -0.42 0.00 -0.26 0.00 0.00 58.87 55.61 2g1d n SER 28 Cb 0.00 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 2g1d n SER 28 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2g1d s ARG 29 N 6.57 4.26 -0.29 4.33 3.00 -1.17 -5.00 118.95 130.65 2g1d s ARG 29 Ca 0.67 1.89 0.02 0.00 -1.00 0.00 0.00 55.73 57.31 2g1d s ARG 29 Cb 0.10 -3.69 0.07 0.00 0.00 0.00 0.00 34.95 31.43 2g1d s ARG 29 CO 0.24 -0.64 -0.05 -0.08 0.00 0.00 0.00 175.30 174.77 2g1d s THR 30 N 2.94 2.35 -0.14 4.11 -1.32 -1.26 -5.07 115.64 117.25 2g1d s THR 30 Ca 0.62 -1.79 -0.41 0.00 -1.21 0.00 0.00 61.69 58.90 2g1d s THR 30 Cb -0.28 -2.47 -0.20 0.00 -1.51 0.00 0.00 72.50 68.04 2g1d s THR 30 CO 0.23 -0.20 1.20 -2.65 -2.21 0.00 0.00 174.62 170.99 2g1d n PRO 31 N 4.42 0.00 -4.40 7.08 -0.02 -1.26 -4.96 135.00 135.86 2g1d n PRO 31 Ca -0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2g1d n PRO 31 Cb 0.42 -1.47 -0.12 0.00 -0.02 0.00 0.00 33.50 32.31 2g1d n PRO 31 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2g1d s SER 32 N 0.85 3.32 -0.07 2.55 0.15 -1.26 -5.06 113.70 114.18 2g1d s SER 32 Ca 0.93 -0.81 -0.27 0.00 0.70 0.00 0.00 55.95 56.49 2g1d s SER 32 Cb -1.31 -0.23 -0.23 0.00 -1.71 0.00 0.00 66.02 62.54 2g1d s SER 32 CO 0.63 0.14 1.06 0.08 1.20 0.00 0.00 173.24 176.34 2g1d h ARG 33 N 3.50 -0.00 0.00 5.44 0.11 -2.00 -3.22 114.38 118.22 2g1d h ARG 33 Ca -0.48 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.48 2g1d h ARG 33 Cb 1.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.28 2g1d h ARG 33 CO 0.44 0.70 -0.48 1.49 0.10 0.00 0.00 179.97 182.22 2g1d h GLU 34 N -0.70 0.32 0.13 0.08 4.57 -1.97 -2.88 114.58 114.14 2g1d h GLU 34 Ca -0.00 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2g1d h GLU 34 Cb 0.70 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2g1d h GLU 34 CO 0.00 1.04 -0.17 0.93 -1.18 0.00 0.00 179.01 179.63 2g1d h GLU 35 N -0.26 -0.34 0.10 1.92 5.08 -1.98 0.20 114.58 119.30 2g1d h GLU 35 Ca -0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2g1d h GLU 35 Cb 1.21 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2g1d h GLU 35 CO 0.09 -0.23 -0.05 0.97 -1.00 0.00 0.00 179.01 178.80 2g1d h ILE 36 N -0.35 0.86 0.14 3.13 2.10 -1.72 -2.41 117.51 119.26 2g1d h ILE 36 Ca 0.01 -1.34 0.01 0.00 1.08 0.00 0.00 64.86 64.63 2g1d h ILE 36 Cb 0.35 1.52 -0.03 0.00 -1.09 0.00 0.00 36.82 37.58 2g1d h ILE 36 CO -0.07 0.25 -0.24 0.50 -1.08 0.00 0.00 178.15 177.52 2g1d h LYS 37 N -0.92 -0.43 -0.08 2.19 3.64 -1.58 0.66 116.57 120.04 2g1d h LYS 37 Ca -0.01 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2g1d h LYS 37 Cb 0.52 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2g1d h LYS 37 CO 0.02 -0.29 -0.03 1.05 -2.27 0.00 0.00 179.45 177.94 2g1d h GLU 38 N -0.45 0.16 -0.86 1.90 4.11 -0.75 0.34 114.58 119.03 2g1d h GLU 38 Ca 0.02 -0.06 0.13 0.00 0.07 0.00 0.00 59.36 59.52 2g1d h GLU 38 Cb 0.46 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2g1d h GLU 38 CO -0.12 0.50 0.56 1.25 0.07 0.00 0.00 179.01 181.27 2g1d h LEU 39 N -0.19 0.64 0.06 3.06 6.46 -1.30 0.36 115.31 124.40 2g1d h LEU 39 Ca 0.02 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2g1d h LEU 39 Cb 0.44 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2g1d h LEU 39 CO 0.01 0.34 -0.03 0.16 -0.62 0.00 0.00 178.44 178.30 2g1d h ILE 40 N 0.69 1.03 0.07 4.05 3.07 0.63 -2.86 117.51 124.20 2g1d h ILE 40 Ca 0.42 -1.54 -0.00 0.00 1.55 0.00 0.00 64.86 65.28 2g1d h ILE 40 Cb 0.65 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 2g1d h ILE 40 CO -0.18 0.32 -0.03 0.00 -1.05 0.00 0.00 178.15 177.20 2g1d h ALA 41 N -0.31 -0.10 -0.20 0.16 0.00 -0.08 0.85 119.26 119.59 2g1d h ALA 41 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2g1d h ALA 41 Cb 0.58 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2g1d h ALA 41 CO 0.01 -0.49 -0.10 0.87 0.00 0.00 0.00 179.25 179.55 2g1d h LYS 42 N -0.23 -0.08 -0.48 0.00 1.57 0.32 0.60 116.57 118.27 2g1d h LYS 42 Ca -0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2g1d h LYS 42 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2g1d h LYS 42 CO 0.02 -0.05 0.20 0.45 -0.57 0.00 0.00 179.45 179.50 2g1d h HIS 43 N -0.08 0.72 0.00 -1.35 3.86 -1.45 -1.10 115.15 115.75 2g1d h HIS 43 Ca 0.11 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2g1d h HIS 43 Cb 0.24 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2g1d h HIS 43 CO -0.26 0.60 0.29 0.39 0.86 0.00 0.00 177.93 179.80 2g1d n GLU 44 N -4.59 0.03 0.00 2.45 1.02 0.30 -4.62 120.64 115.23 2g1d n GLU 44 Ca 0.01 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2g1d n GLU 44 Cb 0.14 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2g1d n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g1d n GLY 45 N -1.26 1.56 3.62 0.62 0.00 -0.25 -4.66 105.19 104.82 2g1d n GLY 45 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2g1d n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g1d s VAL 46 N -2.00 0.01 0.69 1.61 -7.23 0.19 -4.98 120.40 108.68 2g1d s VAL 46 Ca 0.00 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 2g1d s VAL 46 Cb 0.00 -1.99 0.16 0.00 0.56 0.00 0.00 36.38 35.11 2g1d s VAL 46 CO 0.00 -0.04 0.92 0.47 -0.31 0.00 0.00 175.10 176.14 2g1d n ASP 47 N -0.38 0.00 0.21 4.85 8.00 -1.26 -0.13 116.55 127.84 2g1d n ASP 47 Ca -0.04 -1.32 0.06 0.00 0.71 0.00 0.00 54.79 54.20 2g1d n ASP 47 Cb 0.61 -0.71 0.44 0.00 -0.02 0.00 0.00 41.12 41.44 2g1d n ASP 47 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2g1d h LYS 48 N 0.00 0.00 -0.10 -1.24 2.10 -1.91 -3.10 116.57 112.33 2g1d h LYS 48 Ca -0.30 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.18 2g1d h LYS 48 Cb 0.83 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.17 2g1d h LYS 48 CO 0.21 0.31 -0.62 0.93 -2.00 0.00 0.00 179.45 178.28 2g1d h GLU 49 N 0.00 0.59 -0.75 0.07 4.39 -1.93 -3.24 114.58 113.71 2g1d h GLU 49 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2g1d h GLU 49 Cb 0.68 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2g1d h GLU 49 CO 0.04 1.13 0.00 1.28 -1.16 0.00 0.00 179.01 180.30 2g1d n LEU 50 N -4.13 0.75 -4.54 1.33 4.77 -1.00 -4.70 117.00 109.48 2g1d n LEU 50 Ca -0.08 -0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.12 2g1d n LEU 50 Cb 0.66 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2g1d n LEU 50 CO 0.49 0.19 -0.06 -0.69 -1.33 0.00 0.00 177.39 175.99 2g1d s VAL 51 N -1.02 5.24 -0.26 4.08 1.01 -1.22 -0.96 120.40 127.25 2g1d s VAL 51 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2g1d s VAL 51 Cb 0.00 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.70 2g1d s VAL 51 CO 0.00 -0.04 0.06 -0.63 0.00 0.00 0.00 175.10 174.49 2g1d s ILE 52 N 1.85 0.78 -0.14 2.22 1.01 0.15 -4.92 121.20 122.15 2g1d s ILE 52 Ca 0.09 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 2g1d s ILE 52 Cb -0.17 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 40.91 2g1d s ILE 52 CO 0.11 -0.47 0.02 0.68 0.00 0.00 0.00 174.94 175.29 2g1d s VAL 53 N 1.70 0.43 0.20 2.92 -7.23 -1.26 0.59 120.40 117.75 2g1d s VAL 53 Ca 0.05 -0.24 0.09 0.00 -1.81 0.00 0.00 61.98 60.07 2g1d s VAL 53 Cb -0.17 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2g1d s VAL 53 CO -0.18 -0.01 -0.10 -0.62 -0.31 0.00 0.00 175.10 173.88 2g1d s ASP 54 N 1.92 4.16 0.17 4.85 2.15 -1.26 -4.95 116.67 123.71 2g1d s ASP 54 Ca 0.02 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.34 2g1d s ASP 54 Cb -0.15 -0.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 2g1d s ASP 54 CO -0.07 0.08 0.00 -3.20 -0.17 0.00 0.00 175.17 171.81 2g1d n ASN 55 N -0.15 0.00 -0.95 -0.34 5.15 -1.26 -4.81 115.26 112.91 2g1d n ASN 55 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2g1d n ASN 55 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2g1d n ASN 55 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2g1d n ASN 56 N 5.24 -1.76 -4.62 1.20 5.03 -1.26 -4.94 115.26 114.15 2g1d n ASN 56 Ca 0.00 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.02 2g1d n ASN 56 Cb 0.00 -0.88 -0.02 0.00 -1.02 0.00 0.00 39.78 37.86 2g1d n ASN 56 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2g1d s LYS 57 N -1.74 3.89 -0.04 3.52 0.00 0.46 -4.76 119.74 121.07 2g1d s LYS 57 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 55.97 56.83 2g1d s LYS 57 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 37.83 33.92 2g1d s LYS 57 CO 0.00 -1.15 0.63 -1.14 0.00 0.00 0.00 175.35 173.70 2g1d s GLN 58 N 4.16 4.38 -0.28 1.78 -0.44 -1.22 -2.28 119.66 125.76 2g1d s GLN 58 Ca 0.53 0.78 -0.03 0.00 -2.50 0.00 0.00 55.36 54.14 2g1d s GLN 58 Cb -0.14 -3.40 0.04 0.00 -1.64 0.00 0.00 33.01 27.87 2g1d s GLN 58 CO 0.23 0.21 -0.00 -0.48 0.50 0.00 0.00 175.29 175.75 2g1d s LEU 59 N 0.33 3.68 0.84 3.68 2.34 -1.26 -4.90 118.68 123.39 2g1d s LEU 59 Ca 0.33 -1.05 -0.11 0.00 0.06 0.00 0.00 54.13 53.36 2g1d s LEU 59 Cb -0.18 -1.73 0.10 0.00 -0.56 0.00 0.00 46.19 43.82 2g1d s LEU 59 CO 0.17 -0.21 1.09 0.42 -1.06 0.00 0.00 176.35 176.76 2g1d s THR 60 N 1.32 2.87 0.00 5.48 -4.23 -1.26 -4.36 115.64 115.46 2g1d s THR 60 Ca -0.02 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2g1d s THR 60 Cb -0.18 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2g1d s THR 60 CO -0.01 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2g1d n GLY 61 N -1.61 2.21 0.00 3.99 0.00 -1.26 -4.86 105.19 103.65 2g1d n GLY 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2g1d n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2g1d n LYS 62 N -0.46 1.84 -2.51 1.61 2.85 -1.26 -5.02 118.16 115.21 2g1d n LYS 62 Ca 0.00 -0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.05 2g1d n LYS 62 Cb 0.00 -0.36 0.01 0.00 -0.65 0.00 0.00 35.03 34.03 2g1d n LYS 62 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2g1d n HIS 63 N -0.28 -1.00 -4.31 5.58 8.25 -1.26 -4.86 115.22 117.33 2g1d n HIS 63 Ca 0.00 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.43 2g1d n HIS 63 Cb 0.05 -3.26 -0.11 0.00 1.12 0.00 0.00 29.99 27.79 2g1d n HIS 63 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2g1d s GLU 64 N -5.01 1.21 -0.09 -0.41 2.02 -1.26 -3.69 118.70 111.48 2g1d s GLU 64 Ca 0.10 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.68 2g1d s GLU 64 Cb -0.04 -1.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.04 2g1d s GLU 64 CO 0.12 0.21 -0.10 -1.50 0.02 0.00 0.00 175.26 174.01 2g1d s ILE 65 N -2.39 3.42 0.33 -1.63 2.07 -0.31 -4.18 121.20 118.50 2g1d s ILE 65 Ca 0.16 -0.57 0.09 0.00 -1.41 0.00 0.00 60.65 58.92 2g1d s ILE 65 Cb -0.04 -2.40 -0.05 0.00 0.13 0.00 0.00 42.46 40.10 2g1d s ILE 65 CO 0.05 0.57 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.92 2g1d s GLU 66 N -0.39 2.02 0.00 3.50 2.12 -0.96 -0.47 118.70 124.52 2g1d s GLU 66 Ca 0.05 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.64 2g1d s GLU 66 Cb -0.12 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2g1d s GLU 66 CO 0.02 0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2g1d n GLY 67 N -0.89 -0.65 3.16 -1.50 0.00 -0.53 0.17 105.19 104.96 2g1d n GLY 67 Ca -0.05 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 2g1d n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2g1d s TYR 68 N -3.00 1.99 0.06 1.61 5.04 -1.26 -1.74 117.35 120.05 2g1d s TYR 68 Ca 0.00 -0.65 0.04 0.00 -2.44 0.00 0.00 57.07 54.02 2g1d s TYR 68 Cb 0.00 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 2g1d s TYR 68 CO 0.00 -0.24 -0.02 0.99 -1.34 0.00 0.00 175.55 174.94 2g1d s THR 69 N 0.13 3.93 -0.08 4.34 2.01 0.16 -4.54 115.64 121.58 2g1d s THR 69 Ca -0.08 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2g1d s THR 69 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2g1d s THR 69 CO 0.04 0.22 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.37 2g1d s LYS 70 N -1.98 2.87 0.02 4.92 2.20 0.20 -2.14 119.74 125.83 2g1d s LYS 70 Ca 0.22 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 2g1d s LYS 70 Cb -0.11 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2g1d s LYS 70 CO 0.14 0.59 -0.08 0.42 -0.36 0.00 0.00 175.35 176.06 2g1d s ILE 71 N -0.61 0.61 -0.23 5.43 1.01 -1.13 0.33 121.20 126.61 2g1d s ILE 71 Ca 0.09 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 2g1d s ILE 71 Cb -0.12 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.82 2g1d s ILE 71 CO 0.02 -0.03 -0.11 -0.72 0.00 0.00 0.00 174.94 174.10 2g1d s TYR 72 N -0.61 3.02 -1.78 3.97 -0.85 -0.14 -2.80 117.35 118.17 2g1d s TYR 72 Ca -0.01 -1.70 0.27 0.00 -0.52 0.00 0.00 57.07 55.10 2g1d s TYR 72 Cb -0.05 -2.00 0.83 0.00 0.38 0.00 0.00 41.96 41.11 2g1d s TYR 72 CO 0.00 -0.77 1.61 0.00 -1.52 0.00 0.00 175.55 174.87 2g1d n ALA 73 N 4.61 3.01 1.21 9.51 0.00 -1.19 -2.37 120.51 135.29 2g1d n ALA 73 Ca -0.17 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 52.98 2g1d n ALA 73 Cb 0.47 -1.16 0.59 0.00 0.00 0.00 0.00 19.45 19.35 2g1d n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g1d n ASP 74 N -0.64 0.00 -0.32 0.00 5.68 -1.26 -4.08 116.55 115.93 2g1d n ASP 74 Ca 0.13 -0.47 0.01 0.00 -0.50 0.00 0.00 54.79 53.96 2g1d n ASP 74 Cb 0.34 -0.08 0.08 0.00 -1.14 0.00 0.00 41.12 40.32 2g1d n ASP 74 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2g1d h LYS 75 N 0.00 -0.02 -0.92 0.11 3.64 -1.93 0.15 116.57 117.60 2g1d h LYS 75 Ca 0.00 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.65 2g1d h LYS 75 Cb 0.05 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 31.72 2g1d h LYS 75 CO 0.00 -0.02 0.25 -1.35 -2.27 0.00 0.00 179.45 176.06 2g1d h PRO 76 N -0.03 0.15 0.00 1.90 0.11 -1.95 0.98 132.00 133.17 2g1d h PRO 76 Ca 0.38 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.28 2g1d h PRO 76 Cb 0.62 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2g1d h PRO 76 CO -0.91 0.10 -0.88 1.03 -0.21 0.00 0.00 178.00 177.13 2g1d h SER 77 N 0.16 0.26 0.11 -2.05 0.87 -1.07 -1.29 113.55 110.54 2g1d h SER 77 Ca 0.60 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2g1d h SER 77 Cb 1.28 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2g1d h SER 77 CO -0.72 1.02 -0.05 0.00 -0.53 0.00 0.00 176.83 176.54 2g1d h ALA 78 N 0.97 -0.15 -0.08 6.23 0.00 0.14 -1.49 119.26 124.88 2g1d h ALA 78 Ca -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2g1d h ALA 78 Cb 1.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2g1d h ALA 78 CO 0.13 -0.28 -0.16 1.98 0.00 0.00 0.00 179.25 180.92 2g1d h MET 79 N -0.77 0.25 -0.33 0.00 -1.53 0.54 0.51 114.93 113.59 2g1d h MET 79 Ca -0.02 -0.16 -0.17 0.00 -3.44 0.00 0.00 59.70 55.92 2g1d h MET 79 Cb 0.55 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.62 2g1d h MET 79 CO 0.03 0.76 -0.44 1.25 0.14 0.00 0.00 176.91 178.64 2g1d h LEU 80 N -0.23 0.96 0.00 3.39 7.12 -1.38 -3.31 115.31 121.85 2g1d h LEU 80 Ca 0.00 -0.50 -0.31 0.00 0.13 0.00 0.00 57.88 57.21 2g1d h LEU 80 Cb 0.76 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 2g1d h LEU 80 CO 0.04 1.27 -1.87 0.00 -0.13 0.00 0.00 178.44 177.75 2g1d n TYR 81 N -4.07 0.75 -3.44 1.25 9.36 -0.57 -5.01 117.16 115.43 2g1d n TYR 81 Ca -0.03 0.27 -0.18 0.00 3.32 0.00 0.00 57.90 61.28 2g1d n TYR 81 Cb 0.57 -1.13 0.07 0.00 -0.63 0.00 0.00 39.34 38.22 2g1d n TYR 81 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2g1d n GLU 82 N -2.96 -4.85 0.05 2.98 0.00 0.18 -4.91 120.64 111.12 2g1d n GLU 82 Ca -0.20 0.79 0.13 0.00 0.00 0.00 0.00 57.16 57.88 2g1d n GLU 82 Cb 1.07 -5.64 0.44 0.00 0.00 0.00 0.00 31.44 27.31 2g1d n GLU 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2g1d n PRO 83 N -3.92 0.14 0.00 5.31 -0.04 -1.25 -3.44 135.00 131.81 2g1d n PRO 83 Ca -0.22 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.47 2g1d n PRO 83 Cb 0.65 -1.65 0.72 0.00 -0.04 0.00 0.00 33.50 33.18 2g1d n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2g1d n ASP 84 N -1.89 0.00 -3.97 3.54 9.92 -1.26 -4.73 116.55 118.16 2g1d n ASP 84 Ca 0.06 -0.25 -0.19 0.00 -0.53 0.00 0.00 54.79 53.88 2g1d n ASP 84 Cb 0.39 -0.23 -0.15 0.00 -0.64 0.00 0.00 41.12 40.49 2g1d n ASP 84 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2g1d s TYR 85 N -2.46 0.74 -0.25 1.24 2.02 -1.22 -5.13 117.35 112.28 2g1d s TYR 85 Ca 0.29 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 2g1d s TYR 85 Cb 0.19 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 41.24 2g1d s TYR 85 CO 0.40 -0.08 -0.07 -1.83 -1.57 0.00 0.00 175.55 172.40 2g1d s GLU 86 N 0.20 2.73 0.01 -0.62 -1.05 -1.26 -5.00 118.70 113.70 2g1d s GLU 86 Ca -0.03 -1.05 -0.25 0.00 -0.15 0.00 0.00 54.97 53.50 2g1d s GLU 86 Cb -0.07 -2.97 -0.17 0.00 -0.44 0.00 0.00 34.13 30.47 2g1d s GLU 86 CO 0.00 -0.43 1.28 1.25 0.95 0.00 0.00 175.26 178.30 2g1d h LEU 87 N 7.98 -0.23 0.00 1.83 6.46 -2.00 -3.44 115.31 125.91 2g1d h LEU 87 Ca -0.31 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2g1d h LEU 87 Cb 1.10 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2g1d h LEU 87 CO 0.56 0.13 -0.22 0.00 -0.62 0.00 0.00 178.44 178.30 2g1d n ILE 88 N -5.06 0.00 -1.56 4.05 0.13 -1.26 -5.09 119.36 110.58 2g1d n ILE 88 Ca -0.09 0.00 -0.49 0.00 -1.10 0.00 0.00 62.75 61.07 2g1d n ILE 88 Cb 0.24 -0.11 -0.04 0.00 -0.84 0.00 0.00 39.64 38.89 2g1d n ILE 88 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2g1d n ARG 89 N -1.71 1.00 0.00 9.51 3.00 -1.26 -4.87 116.66 122.33 2g1d n ARG 89 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.19 2g1d n ARG 89 Cb 0.11 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2g1d n ARG 89 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2g1d n ASN 90 N 1.95 0.45 0.00 0.55 3.02 -1.26 -4.86 115.26 115.11 2g1d n ASN 90 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2g1d n ASN 90 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2g1d n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g1d n GLY 91 N 2.10 -1.59 2.42 7.41 0.00 -1.26 -5.08 105.19 109.19 2g1d n GLY 91 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 46.82 2g1d n GLY 91 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g1d n LEU 92 N 0.00 -1.19 -3.15 0.99 -0.00 -1.26 -5.09 117.00 107.30 2g1d n LEU 92 Ca 0.00 -2.62 0.04 0.00 -0.00 0.00 0.00 56.01 53.43 2g1d n LEU 92 Cb 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2g1d n LEU 92 CO 0.00 1.53 0.22 -0.75 -0.00 0.00 0.00 177.39 178.39 2g1d s LYS 93 N 0.10 0.44 -0.32 1.96 2.36 -1.26 -5.02 119.74 118.02 2g1d s LYS 93 Ca 0.09 0.45 0.08 0.00 -2.55 0.00 0.00 55.97 54.04 2g1d s LYS 93 Cb 0.30 0.21 0.66 0.00 -1.05 0.00 0.00 37.83 37.95 2g1d s LYS 93 CO -0.08 -0.82 1.73 1.04 1.55 0.00 0.00 175.35 178.77 2g1d n GLN 94 N 5.34 3.19 -2.59 4.03 6.02 -1.26 -4.88 117.38 127.22 2g1d n GLN 94 Ca 0.06 -2.74 -0.18 0.00 -0.01 0.00 0.00 57.00 54.13 2g1d n GLN 94 Cb 0.55 -2.11 -0.00 0.00 1.02 0.00 0.00 30.24 29.70 2g1d n GLN 94 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2g1d n LYS 95 N -0.28 -2.54 0.00 -1.09 4.81 -1.26 -4.33 118.16 113.48 2g1d n LYS 95 Ca 0.40 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 2g1d n LYS 95 Cb 1.35 -5.49 0.00 0.00 0.02 0.00 0.00 35.03 30.91 2g1d n LYS 95 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2g1d n GLU 96 N -3.17 0.00 -1.47 1.64 0.28 -1.26 -5.16 120.64 111.51 2g1d n GLU 96 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2g1d n GLU 96 Cb 0.64 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.51 2g1d n GLU 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2g1d n ALA 97 N -1.63 -1.95 1.40 -1.84 0.00 -1.26 -5.19 120.51 110.04 2g1d n ALA 97 Ca 0.00 0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.99 2g1d n ALA 97 Cb 0.00 -1.33 0.44 0.00 0.00 0.00 0.00 19.45 18.56 2g1d n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13