#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha n SER 2 N 0.00 0.14 -4.75 1.61 7.64 -1.26 -4.80 113.62 112.19 1wha n SER 2 Ca 0.00 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 1wha n SER 2 Cb 0.00 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 61.86 1wha n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wha s SER 3 N -3.79 6.62 -0.18 6.43 0.01 -1.26 -4.94 113.70 116.58 1wha s SER 3 Ca 0.20 2.74 -0.09 0.00 1.31 0.00 0.00 55.95 60.11 1wha s SER 3 Cb -0.12 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.40 1wha s SER 3 CO 0.84 -0.71 -0.23 0.61 0.41 0.00 0.00 173.24 174.16 1wha n GLY 4 N 1.75 -0.29 3.88 3.44 0.00 -1.26 -4.90 105.19 107.80 1wha n GLY 4 Ca 0.05 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1wha n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wha s SER 5 N -6.60 6.46 1.32 1.61 0.15 -1.26 -4.97 113.70 110.42 1wha s SER 5 Ca -0.25 0.52 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 1wha s SER 5 Cb 0.10 -2.08 0.25 0.00 -1.71 0.00 0.00 66.02 62.58 1wha s SER 5 CO 0.32 0.30 0.58 -1.20 1.20 0.00 0.00 173.24 174.44 1wha n SER 6 N 1.35 -3.44 -3.50 5.45 7.64 -1.26 -4.75 113.62 115.12 1wha n SER 6 Ca -0.14 -0.59 -0.25 0.00 1.01 0.00 0.00 58.87 58.91 1wha n SER 6 Cb 0.53 -0.66 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wha s GLY 7 N -2.74 0.26 0.07 0.23 0.00 -0.79 -4.93 107.32 99.42 1wha s GLY 7 Ca 0.44 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1wha s GLY 7 CO 0.37 2.24 -0.02 1.09 0.00 0.00 0.00 173.10 176.78 1wha s ARG 8 N 2.20 2.51 0.32 2.90 1.70 -1.26 -1.63 118.95 125.69 1wha s ARG 8 Ca 0.09 -0.83 -0.02 0.00 -0.47 0.00 0.00 55.73 54.50 1wha s ARG 8 Cb -0.15 -2.51 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1wha s ARG 8 CO -0.33 0.55 0.41 -1.01 -1.08 0.00 0.00 175.30 173.85 1wha s HIS 9 N -1.23 1.11 0.05 5.89 3.76 -0.92 -5.00 115.29 118.94 1wha s HIS 9 Ca 0.23 -1.30 0.04 0.00 -0.15 0.00 0.00 55.06 53.88 1wha s HIS 9 Cb -0.11 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 1wha s HIS 9 CO 0.15 -1.04 -0.03 0.54 -0.85 0.00 0.00 174.74 173.51 1wha s VAL 10 N -3.31 3.83 -0.04 -0.90 0.11 -1.26 -2.12 120.40 116.71 1wha s VAL 10 Ca 0.32 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1wha s VAL 10 Cb 0.01 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1wha s VAL 10 CO 0.19 0.24 -0.07 0.00 -3.33 0.00 0.00 175.10 172.13 1wha s ALA 11 N -1.17 0.85 -0.16 1.54 0.00 -0.84 -4.95 121.76 117.03 1wha s ALA 11 Ca 0.22 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1wha s ALA 11 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1wha s ALA 11 CO 0.13 0.06 0.08 0.00 0.00 0.00 0.00 175.76 176.03 1wha s LEU 13 N -0.14 1.99 -0.31 0.00 1.43 -0.83 -4.97 118.68 115.85 1wha s LEU 13 Ca 0.08 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 1wha s LEU 13 Cb -0.12 -0.09 0.05 0.00 0.03 0.00 0.00 46.19 46.06 1wha s LEU 13 CO 0.01 -0.60 0.01 0.00 0.23 0.00 0.00 176.35 176.00 1wha s ALA 14 N -3.62 2.84 0.30 4.21 0.00 -1.26 -2.10 121.76 122.13 1wha s ALA 14 Ca 0.30 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 1wha s ALA 14 Cb 0.07 -1.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.12 1wha s ALA 14 CO 0.08 -1.31 1.02 0.50 0.00 0.00 0.00 175.76 176.06 1wha s ARG 15 N 1.24 4.59 0.03 0.00 3.52 -0.97 -4.82 118.95 122.55 1wha s ARG 15 Ca -0.04 1.58 0.02 0.00 -0.13 0.00 0.00 55.73 57.16 1wha s ARG 15 Cb -0.20 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1wha s ARG 15 CO -0.01 0.23 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.53 1wha s SER 16 N -1.22 0.73 0.61 -2.12 0.01 -1.26 -4.83 113.70 105.61 1wha s SER 16 Ca 0.47 -0.39 0.30 0.00 1.31 0.00 0.00 55.95 57.63 1wha s SER 16 Cb -0.26 0.01 1.60 0.00 0.21 0.00 0.00 66.02 67.58 1wha s SER 16 CO 0.33 -0.12 1.98 1.05 0.41 0.00 0.00 173.24 176.89 1wha h GLU 17 N 5.01 0.00 0.00 12.44 4.11 -2.01 0.44 114.58 134.57 1wha h GLU 17 Ca -0.33 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.03 1wha h GLU 17 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wha h GLU 17 CO 0.44 0.00 -0.32 0.00 0.07 0.00 0.00 179.01 179.20 1wha h ARG 18 N 0.00 0.00 0.00 1.06 2.47 -2.01 -3.47 114.38 112.42 1wha h ARG 18 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1wha h ARG 18 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 1wha h ARG 18 CO -0.00 0.32 0.00 0.41 0.56 0.00 0.00 179.97 181.26 1wha n GLY 19 N 0.34 2.87 0.05 0.04 0.00 0.15 -5.00 105.19 103.64 1wha n GLY 19 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 1wha n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wha n LEU 20 N 0.00 -0.13 0.00 0.99 4.77 -1.24 -4.71 117.00 116.68 1wha n LEU 20 Ca 0.00 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1wha n LEU 20 Cb 0.00 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1wha n LEU 20 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1wha n GLY 21 N -1.03 1.27 3.82 -0.72 0.00 -1.26 -4.84 105.19 102.42 1wha n GLY 21 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1wha n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wha s PHE 22 N 0.00 3.21 0.43 1.61 -0.71 -1.26 -3.84 117.98 117.42 1wha s PHE 22 Ca 0.00 1.53 0.07 0.00 -1.04 0.00 0.00 56.93 57.49 1wha s PHE 22 Cb 0.00 -2.91 -0.06 0.00 -1.21 0.00 0.00 43.02 38.84 1wha s PHE 22 CO 0.00 -0.59 0.10 0.45 -1.34 0.00 0.00 175.22 173.85 1wha s SER 23 N -2.57 4.18 0.16 1.98 0.15 0.13 -4.91 113.70 112.82 1wha s SER 23 Ca 0.62 -1.26 0.07 0.00 0.70 0.00 0.00 55.95 56.09 1wha s SER 23 Cb -0.13 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 1wha s SER 23 CO 0.26 -0.56 -0.16 0.27 1.20 0.00 0.00 173.24 174.25 1wha s ILE 24 N -2.68 1.64 0.13 6.45 -4.36 -1.26 -2.99 121.20 118.13 1wha s ILE 24 Ca 0.35 -1.90 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1wha s ILE 24 Cb 0.06 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1wha s ILE 24 CO 0.19 -0.40 0.10 0.00 0.24 0.00 0.00 174.94 175.07 1wha s ALA 25 N -2.25 0.58 0.00 2.27 0.00 0.56 -4.72 121.76 118.21 1wha s ALA 25 Ca 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1wha s ALA 25 Cb -0.04 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1wha s ALA 25 CO 0.05 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1wha n GLY 26 N -0.09 2.85 2.85 0.00 0.00 -0.99 -0.85 105.19 108.96 1wha n GLY 26 Ca -0.07 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1wha n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 27 N 0.00 -2.10 3.62 -0.02 0.00 -1.24 -4.59 105.19 100.86 1wha n GLY 27 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1wha n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s LYS 28 N -0.86 3.67 0.00 1.61 -0.14 -1.26 -2.52 119.74 120.24 1wha s LYS 28 Ca 0.52 1.53 0.00 0.00 -1.36 0.00 0.00 55.97 56.66 1wha s LYS 28 Cb -0.62 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 31.46 1wha s LYS 28 CO 0.52 -1.45 0.00 0.41 -0.76 0.00 0.00 175.35 174.07 1wha n GLY 29 N 4.88 1.68 0.07 -3.33 0.00 -1.26 -3.29 105.19 103.93 1wha n GLY 29 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wha n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 30 N 0.00 0.00 -3.64 1.61 7.64 -1.05 -5.08 113.62 113.10 1wha n SER 30 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1wha n SER 30 Cb 0.00 -0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wha s THR 31 N -0.36 0.00 -1.18 0.44 2.01 -1.25 -5.06 115.64 110.24 1wha s THR 31 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1wha s THR 31 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1wha s THR 31 CO 0.00 0.00 1.93 -0.81 -0.69 0.00 0.00 174.62 175.05 1wha n PRO 32 N 2.88 1.60 -0.20 4.92 -0.04 -1.26 -2.35 135.00 140.55 1wha n PRO 32 Ca -0.15 -2.46 0.27 0.00 -0.04 0.00 0.00 63.50 61.12 1wha n PRO 32 Cb 0.57 -3.72 0.43 0.00 -0.04 0.00 0.00 33.50 30.74 1wha n PRO 32 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1wha h TYR 33 N 9.65 0.00 -3.47 0.54 3.20 -1.86 -3.34 116.97 121.69 1wha h TYR 33 Ca 0.22 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.66 1wha h TYR 33 Cb 0.93 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 38.86 1wha h TYR 33 CO 1.21 0.00 -0.78 1.03 -1.64 0.00 0.00 178.16 177.98 1wha s ARG 34 N -4.43 1.01 -0.28 1.82 1.81 -1.26 -5.02 118.95 112.59 1wha s ARG 34 Ca -0.03 -0.18 -0.28 0.00 -1.72 0.00 0.00 55.73 53.52 1wha s ARG 34 Cb 0.14 -0.94 -0.03 0.00 -0.45 0.00 0.00 34.95 33.66 1wha s ARG 34 CO 0.46 -0.05 1.94 0.00 -0.68 0.00 0.00 175.30 176.97 1wha s ALA 35 N 0.81 2.84 0.00 2.13 0.00 -1.25 -2.01 121.76 124.27 1wha s ALA 35 Ca -0.12 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1wha s ALA 35 Cb -0.14 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1wha s ALA 35 CO 0.01 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 173.53 1wha n GLY 36 N 5.52 1.15 3.09 0.00 0.00 -1.26 -5.09 105.19 108.60 1wha n GLY 36 Ca 0.25 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1wha n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wha s ASP 37 N -2.49 -0.08 -0.17 1.61 1.11 -0.85 -5.04 116.67 110.75 1wha s ASP 37 Ca 0.00 0.05 0.16 0.00 0.18 0.00 0.00 52.55 52.94 1wha s ASP 37 Cb 0.00 0.28 0.39 0.00 1.07 0.00 0.00 42.92 44.66 1wha s ASP 37 CO 0.00 -0.24 1.25 0.00 1.18 0.00 0.00 175.17 177.36 1wha n ALA 38 N 2.12 2.91 -1.07 5.23 0.00 -1.26 -4.60 120.51 123.84 1wha n ALA 38 Ca -0.18 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1wha n ALA 38 Cb 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1wha n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 39 N -1.16 -0.49 2.92 0.00 0.00 -1.26 -4.62 105.19 100.59 1wha n GLY 39 Ca 0.20 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1wha n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wha s ILE 40 N 0.14 -0.17 0.17 -0.61 1.01 -1.26 -3.71 121.20 116.77 1wha s ILE 40 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1wha s ILE 40 Cb 0.00 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 1wha s ILE 40 CO 0.00 0.10 -0.14 -0.36 0.00 0.00 0.00 174.94 174.55 1wha s PHE 41 N 1.74 1.54 -0.05 3.97 0.40 -0.03 -0.21 117.98 125.34 1wha s PHE 41 Ca -0.04 -0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 55.39 1wha s PHE 41 Cb -0.12 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1wha s PHE 41 CO -0.07 0.24 1.34 0.08 0.70 0.00 0.00 175.22 177.51 1wha s VAL 42 N -2.76 3.96 -0.07 -0.44 1.01 -0.82 -0.32 120.40 120.97 1wha s VAL 42 Ca 0.17 1.28 0.19 0.00 0.00 0.00 0.00 61.98 63.63 1wha s VAL 42 Cb -0.01 -3.83 -0.29 0.00 0.00 0.00 0.00 36.38 32.25 1wha s VAL 42 CO 0.04 -0.03 0.35 -1.54 0.00 0.00 0.00 175.10 173.92 1wha n SER 43 N 5.70 0.39 -3.79 3.32 3.41 -1.16 -1.30 113.62 120.19 1wha n SER 43 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1wha n SER 43 Cb 0.44 1.68 -0.10 0.00 -0.26 0.00 0.00 64.21 65.98 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wha s ARG 44 N -3.16 0.49 -0.05 4.33 6.06 -1.24 -4.95 118.95 120.42 1wha s ARG 44 Ca -0.08 0.03 -0.00 0.00 -2.50 0.00 0.00 55.73 53.18 1wha s ARG 44 Cb 0.11 0.22 0.03 0.00 0.06 0.00 0.00 34.95 35.37 1wha s ARG 44 CO 0.82 -0.11 -0.01 0.42 -2.50 0.00 0.00 175.30 173.92 1wha s ILE 45 N -0.69 0.34 -0.06 4.11 1.01 -1.26 0.21 121.20 124.86 1wha s ILE 45 Ca -0.08 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 1wha s ILE 45 Cb -0.04 -0.45 -0.09 0.00 0.01 0.00 0.00 42.46 41.89 1wha s ILE 45 CO 0.02 0.21 2.01 0.00 0.00 0.00 0.00 174.94 177.19 1wha n ALA 46 N 4.54 1.44 -1.73 9.38 0.00 -1.25 -4.78 120.51 128.12 1wha n ALA 46 Ca -0.18 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1wha n ALA 46 Cb 0.50 -2.68 -0.00 0.00 0.00 0.00 0.00 19.45 17.27 1wha n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wha s GLU 47 N 4.84 3.53 -1.50 0.00 2.12 -1.26 -1.43 118.70 124.98 1wha s GLU 47 Ca 0.93 1.10 -0.05 0.00 0.36 0.00 0.00 54.97 57.31 1wha s GLU 47 Cb -0.49 -2.07 0.05 0.00 0.26 0.00 0.00 34.13 31.88 1wha s GLU 47 CO 0.43 -0.63 0.12 0.41 -0.54 0.00 0.00 175.26 175.05 1wha n GLY 48 N -1.26 -0.17 0.00 -1.50 0.00 -1.26 -4.80 105.19 96.20 1wha n GLY 48 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wha n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 49 N -2.15 4.48 0.05 -0.02 0.00 -1.25 -4.98 105.19 101.32 1wha n GLY 49 Ca -0.21 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha n ALA 50 N -3.00 0.34 -0.07 4.61 0.00 -1.26 -3.32 120.51 117.81 1wha n ALA 50 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 1wha n ALA 50 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1wha n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha h ALA 51 N -1.28 -0.52 0.44 0.00 0.00 -1.90 0.10 119.26 116.11 1wha h ALA 51 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wha h ALA 51 Cb 0.39 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wha h ALA 51 CO 0.00 -0.90 -0.28 1.25 0.00 0.00 0.00 179.25 179.32 1wha h HIS 52 N -0.40 -0.76 -0.93 0.00 6.17 -1.48 -3.06 115.15 114.69 1wha h HIS 52 Ca 0.11 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.32 1wha h HIS 52 Cb 0.60 0.27 -0.15 0.00 2.52 0.00 0.00 27.41 30.66 1wha h HIS 52 CO -0.57 -0.42 -0.37 -2.13 0.71 0.00 0.00 177.93 175.16 1wha n ARG 53 N -4.10 -0.22 -0.25 5.26 0.63 -1.12 0.61 116.66 117.46 1wha n ARG 53 Ca -0.08 1.43 0.20 0.00 -0.92 0.00 0.00 57.85 58.48 1wha n ARG 53 Cb 0.29 -2.13 0.37 0.00 0.45 0.00 0.00 32.46 31.44 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha n ALA 54 N -3.50 0.64 0.00 5.13 0.00 0.01 -4.77 120.51 118.01 1wha n ALA 54 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1wha n ALA 54 Cb 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1wha n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 55 N -1.26 2.08 0.28 0.00 0.00 0.20 -4.68 105.19 101.81 1wha n GLY 55 Ca 0.25 -0.32 0.22 0.00 0.00 0.00 0.00 46.02 46.17 1wha n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wha n THR 56 N 0.00 -0.35 -1.87 2.61 -2.24 -1.26 -4.19 114.28 106.97 1wha n THR 56 Ca 0.00 1.76 -0.42 0.00 -2.27 0.00 0.00 64.05 63.11 1wha n THR 56 Cb 0.00 -2.75 -0.03 0.00 -2.10 0.00 0.00 70.33 65.45 1wha n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wha s LEU 57 N -10.01 4.35 -0.14 3.22 1.43 -1.26 -4.97 118.68 111.30 1wha s LEU 57 Ca -0.09 2.40 -0.04 0.00 -1.03 0.00 0.00 54.13 55.37 1wha s LEU 57 Cb 0.27 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 43.03 1wha s LEU 57 CO 0.66 -0.99 0.25 0.00 0.23 0.00 0.00 176.35 176.50 1wha s GLN 58 N 4.23 0.15 -0.30 1.70 -2.07 -1.26 -4.83 119.66 117.28 1wha s GLN 58 Ca 0.79 0.63 -0.33 0.00 -1.82 0.00 0.00 55.36 54.63 1wha s GLN 58 Cb -0.37 -0.26 -0.15 0.00 -1.09 0.00 0.00 33.01 31.14 1wha s GLN 58 CO 0.34 -0.36 1.10 0.28 -1.32 0.00 0.00 175.29 175.33 1wha n VAL 59 N 5.34 0.00 0.00 3.63 0.31 -1.26 -1.53 118.33 124.83 1wha n VAL 59 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1wha n VAL 59 Cb 0.50 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1wha n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wha n GLY 60 N 2.60 1.27 3.76 2.92 0.00 -0.42 -4.96 105.19 110.36 1wha n GLY 60 Ca 0.21 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1wha n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wha n ASP 61 N 0.00 3.26 -4.88 1.61 9.92 -0.58 -4.60 116.55 121.28 1wha n ASP 61 Ca 0.00 1.12 -0.32 0.00 -0.53 0.00 0.00 54.79 55.06 1wha n ASP 61 Cb 0.00 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 38.84 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wha s ARG 62 N -2.41 3.72 -0.37 -1.24 3.52 -1.25 -1.94 118.95 118.98 1wha s ARG 62 Ca 0.61 0.11 -0.13 0.00 -0.13 0.00 0.00 55.73 56.18 1wha s ARG 62 Cb -0.46 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1wha s ARG 62 CO 0.58 0.42 0.26 0.08 -0.81 0.00 0.00 175.30 175.82 1wha s VAL 63 N -1.69 5.14 0.07 7.11 1.01 0.71 -1.51 120.40 131.25 1wha s VAL 63 Ca 0.43 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1wha s VAL 63 Cb -0.12 -3.76 -0.29 0.00 0.00 0.00 0.00 36.38 32.21 1wha s VAL 63 CO 0.22 -0.16 1.12 -0.07 0.00 0.00 0.00 175.10 176.22 1wha h LEU 64 N 8.53 0.58 -7.23 3.92 3.38 -0.84 -3.38 115.31 120.28 1wha h LEU 64 Ca -0.29 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1wha h LEU 64 Cb 1.13 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1wha h LEU 64 CO 0.68 1.45 0.03 -0.94 0.09 0.00 0.00 178.44 179.75 1wha s SER 65 N -7.28 -0.39 -0.13 -0.43 1.04 -1.24 -2.46 113.70 102.81 1wha s SER 65 Ca -0.06 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 1wha s SER 65 Cb 0.06 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1wha s SER 65 CO 0.90 -0.82 0.02 -0.63 0.98 0.00 0.00 173.24 173.69 1wha s ILE 66 N -3.24 0.42 -1.32 -1.02 1.01 0.85 -1.21 121.20 116.69 1wha s ILE 66 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1wha s ILE 66 Cb 0.00 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1wha s ILE 66 CO -0.08 0.05 0.42 -3.20 0.00 0.00 0.00 174.94 172.13 1wha n ASN 67 N 5.11 -5.30 -0.20 3.58 2.85 -0.30 -2.32 115.26 118.68 1wha n ASN 67 Ca -0.08 -0.20 -0.02 0.00 -0.11 0.00 0.00 54.58 54.17 1wha n ASN 67 Cb 0.49 -4.18 -0.00 0.00 1.24 0.00 0.00 39.78 37.33 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wha n GLY 68 N -1.33 0.31 2.85 8.20 0.00 -1.26 -4.99 105.19 108.97 1wha n GLY 68 Ca -0.11 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1wha n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wha s VAL 69 N -2.09 0.59 0.09 1.61 1.01 -0.98 -5.12 120.40 115.51 1wha s VAL 69 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1wha s VAL 69 Cb 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1wha s VAL 69 CO 0.00 0.27 1.57 -0.62 0.00 0.00 0.00 175.10 176.32 1wha s ASP 70 N 1.44 6.65 -0.03 3.32 2.15 -1.26 -0.10 116.67 128.84 1wha s ASP 70 Ca -0.03 2.45 0.04 0.00 0.43 0.00 0.00 52.55 55.45 1wha s ASP 70 Cb -0.13 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.98 1wha s ASP 70 CO -0.03 -0.82 0.90 1.33 -0.17 0.00 0.00 175.17 176.38 1wha n VAL 71 N 4.45 0.62 -0.14 1.11 0.24 -1.03 -4.75 118.33 118.84 1wha n VAL 71 Ca 0.15 -0.71 0.27 0.00 -2.04 0.00 0.00 64.34 62.00 1wha n VAL 71 Cb 0.41 0.46 0.72 0.00 -1.47 0.00 0.00 33.84 33.96 1wha n VAL 71 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wha h THR 72 N 3.01 0.59 0.00 3.34 1.35 -1.73 -1.16 112.91 118.31 1wha h THR 72 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1wha h THR 72 Cb 1.03 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1wha h THR 72 CO 0.00 0.00 -0.28 -0.62 -0.25 0.00 0.00 175.52 174.38 1wha n GLU 73 N -4.29 0.70 -2.11 4.72 1.02 -1.26 -4.15 120.64 115.27 1wha n GLU 73 Ca 0.17 -1.91 -0.31 0.00 -0.02 0.00 0.00 57.16 55.09 1wha n GLU 73 Cb 0.89 -1.02 -0.00 0.00 -0.02 0.00 0.00 31.44 31.29 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wha s ALA 74 N -1.55 3.13 0.71 0.62 0.00 -0.44 -5.02 121.76 119.21 1wha s ALA 74 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1wha s ALA 74 Cb 0.17 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1wha s ALA 74 CO 0.01 -0.52 1.08 1.03 0.00 0.00 0.00 175.76 177.36 1wha s ARG 75 N -4.81 2.65 0.09 0.00 0.52 -1.26 -4.18 118.95 111.96 1wha s ARG 75 Ca 0.55 0.28 -0.33 0.00 -0.52 0.00 0.00 55.73 55.72 1wha s ARG 75 Cb -0.11 -2.05 -0.15 0.00 0.52 0.00 0.00 34.95 33.16 1wha s ARG 75 CO 0.47 -1.11 1.60 1.25 0.02 0.00 0.00 175.30 177.53 1wha h HIS 76 N -0.67 -1.04 0.00 -0.53 -0.00 -1.74 0.13 115.15 111.31 1wha h HIS 76 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.87 1wha h HIS 76 Cb 1.27 0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 29.07 1wha h HIS 76 CO 0.45 -0.55 -0.24 -0.44 -0.00 0.00 0.00 177.93 177.15 1wha h ASP 77 N -0.86 0.00 0.20 3.26 3.32 -1.94 -1.20 116.42 119.21 1wha h ASP 77 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1wha h ASP 77 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1wha h ASP 77 CO -0.01 0.24 -0.10 -0.74 -1.72 0.00 0.00 179.24 176.91 1wha h HIS 78 N 0.00 -0.25 -0.32 4.55 2.76 -1.79 -2.51 115.15 117.58 1wha h HIS 78 Ca -0.00 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1wha h HIS 78 Cb 0.46 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1wha h HIS 78 CO 0.00 0.09 0.05 0.00 -1.30 0.00 0.00 177.93 176.77 1wha h ALA 79 N 0.07 0.43 -0.93 5.26 0.00 -0.64 -2.88 119.26 120.55 1wha h ALA 79 Ca -0.03 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.85 1wha h ALA 79 Cb 0.45 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1wha h ALA 79 CO 0.05 0.12 0.60 0.28 0.00 0.00 0.00 179.25 180.30 1wha h VAL 80 N 0.36 0.77 -0.72 0.00 2.07 -1.27 -0.40 116.25 117.06 1wha h VAL 80 Ca 0.10 -0.23 0.21 0.00 0.82 0.00 0.00 66.70 67.60 1wha h VAL 80 Cb 0.35 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1wha h VAL 80 CO 0.01 0.12 1.01 -1.28 0.02 0.00 0.00 177.57 177.44 1wha h SER 81 N 0.67 0.00 0.27 0.57 0.87 -1.21 1.93 113.55 116.64 1wha h SER 81 Ca 0.49 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.76 1wha h SER 81 Cb 0.86 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 1wha h SER 81 CO -0.25 0.00 -1.99 0.18 -0.53 0.00 0.00 176.83 174.25 1wha n LEU 82 N -3.20 0.43 0.14 2.23 4.77 -0.16 -3.09 117.00 118.13 1wha n LEU 82 Ca 0.16 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1wha n LEU 82 Cb 1.23 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 42.54 1wha n LEU 82 CO 0.20 0.38 0.49 -0.07 -1.33 0.00 0.00 177.39 177.06 1wha h LEU 83 N 0.00 -0.34 0.00 2.23 3.38 0.30 -3.14 115.31 117.73 1wha h LEU 83 Ca -0.37 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1wha h LEU 83 Cb 2.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1wha h LEU 83 CO 0.05 0.07 0.00 1.07 0.09 0.00 0.00 178.44 179.72 1wha n THR 84 N -5.10 0.01 -1.24 0.22 5.66 -0.46 -4.91 114.28 108.46 1wha n THR 84 Ca -0.09 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.53 1wha n THR 84 Cb 0.27 -0.51 0.01 0.00 -1.55 0.00 0.00 70.33 68.55 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wha n ALA 85 N -1.45 -3.13 -1.28 1.79 0.00 -1.18 -4.69 120.51 110.57 1wha n ALA 85 Ca 0.09 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1wha n ALA 85 Cb 0.31 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1wha n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha n ALA 86 N -1.59 4.56 -3.20 0.00 0.00 -1.26 -4.83 120.51 114.20 1wha n ALA 86 Ca 0.07 -3.31 -0.13 0.00 0.00 0.00 0.00 53.44 50.07 1wha n ALA 86 Cb 0.48 -3.49 -0.15 0.00 0.00 0.00 0.00 19.45 16.29 1wha n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wha s SER 87 N 3.97 0.02 0.16 0.00 0.01 -1.26 -5.05 113.70 111.55 1wha s SER 87 Ca 0.53 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 1wha s SER 87 Cb 0.14 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.36 1wha s SER 87 CO 0.02 -0.05 1.50 1.55 0.41 0.00 0.00 173.24 176.67 1wha h PRO 88 N 6.56 0.87 -5.94 12.44 0.13 -1.88 -3.41 132.00 140.78 1wha h PRO 88 Ca -0.32 -0.46 -0.67 0.00 -0.87 0.00 0.00 66.00 63.68 1wha h PRO 88 Cb 1.18 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1wha h PRO 88 CO 0.50 1.10 -0.59 0.95 -0.23 0.00 0.00 178.00 179.73 1wha s THR 89 N -4.37 4.62 -0.03 1.56 -4.23 -1.26 -2.29 115.64 109.64 1wha s THR 89 Ca -0.10 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1wha s THR 89 Cb 0.11 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.95 1wha s THR 89 CO 0.87 0.52 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.77 1wha s ILE 90 N -1.01 0.69 -0.08 2.99 1.01 -0.89 -4.96 121.20 118.95 1wha s ILE 90 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1wha s ILE 90 Cb -0.12 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 1wha s ILE 90 CO 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 174.94 175.20 1wha s ALA 91 N 0.33 3.17 -0.06 9.38 0.00 -1.26 -1.96 121.76 131.36 1wha s ALA 91 Ca -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1wha s ALA 91 Cb -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1wha s ALA 91 CO 0.00 0.58 0.03 -0.51 0.00 0.00 0.00 175.76 175.87 1wha s LEU 92 N -0.86 0.37 -0.72 0.00 1.43 -0.91 -1.15 118.68 116.84 1wha s LEU 92 Ca 0.13 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1wha s LEU 92 Cb -0.11 -0.29 0.12 0.00 0.03 0.00 0.00 46.19 45.94 1wha s LEU 92 CO 0.02 -0.23 0.86 -0.22 0.23 0.00 0.00 176.35 177.01 1wha s LEU 93 N 2.07 5.39 0.27 1.79 2.96 -0.35 -1.98 118.68 128.83 1wha s LEU 93 Ca 0.05 -1.73 -0.13 0.00 -0.22 0.00 0.00 54.13 52.09 1wha s LEU 93 Cb -0.12 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.16 1wha s LEU 93 CO -0.04 -1.06 0.65 -0.76 -1.32 0.00 0.00 176.35 173.82 1wha s LEU 94 N 2.47 4.14 -0.14 -0.68 1.43 -0.90 -0.10 118.68 124.90 1wha s LEU 94 Ca 0.19 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1wha s LEU 94 Cb -0.16 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1wha s LEU 94 CO 0.00 -0.12 -0.19 -0.70 0.23 0.00 0.00 176.35 175.57 1wha s GLU 95 N -2.79 3.12 -0.45 1.70 -6.30 -0.57 -2.18 118.70 111.23 1wha s GLU 95 Ca 0.50 -0.81 -0.10 0.00 -2.50 0.00 0.00 54.97 52.05 1wha s GLU 95 Cb -0.11 -2.48 0.10 0.00 0.00 0.00 0.00 34.13 31.63 1wha s GLU 95 CO 0.19 0.05 0.32 0.50 0.02 0.00 0.00 175.26 176.35 1wha s ARG 96 N 0.68 2.62 -0.13 4.30 3.52 -0.64 -3.89 118.95 125.40 1wha s ARG 96 Ca -0.09 -1.58 -0.29 0.00 -0.13 0.00 0.00 55.73 53.63 1wha s ARG 96 Cb -0.16 -3.91 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1wha s ARG 96 CO 0.02 -1.08 1.89 -1.21 -0.81 0.00 0.00 175.30 174.10 1wha s GLU 97 N 1.43 3.75 -0.87 5.12 2.02 -1.26 -1.89 118.70 127.00 1wha s GLU 97 Ca 0.04 2.09 -0.25 0.00 0.02 0.00 0.00 54.97 56.87 1wha s GLU 97 Cb -0.25 -4.16 0.04 0.00 0.10 0.00 0.00 34.13 29.86 1wha s GLU 97 CO 0.01 -1.38 1.35 0.00 0.02 0.00 0.00 175.26 175.26 1wha s ALA 98 N 5.74 2.74 0.00 5.21 0.00 -1.26 -4.75 121.76 129.43 1wha s ALA 98 Ca 0.85 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1wha s ALA 98 Cb -0.33 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1wha s ALA 98 CO 0.35 -3.43 0.00 0.41 0.00 0.00 0.00 175.76 173.09 1wha n GLY 99 N 6.06 3.53 3.64 0.00 0.00 -1.26 -4.86 105.19 112.30 1wha n GLY 99 Ca 0.17 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1wha n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wha s SER 100 N 0.00 -0.60 0.45 1.61 1.04 -1.26 -5.18 113.70 109.76 1wha s SER 100 Ca 0.00 1.04 0.06 0.00 0.48 0.00 0.00 55.95 57.53 1wha s SER 100 Cb 0.00 1.16 -0.04 0.00 0.10 0.00 0.00 66.02 67.24 1wha s SER 100 CO 0.00 -0.17 0.12 -0.83 0.98 0.00 0.00 173.24 173.34 1wha s GLY 101 N 0.89 2.55 0.28 7.32 0.00 -1.26 -5.11 107.32 111.99 1wha s GLY 101 Ca -0.04 -1.66 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 1wha s GLY 101 CO -0.11 -2.03 1.25 2.56 0.00 0.00 0.00 173.10 174.76 1wha s PRO 102 N -3.89 4.45 -0.04 2.90 0.04 -1.26 -5.04 135.00 132.15 1wha s PRO 102 Ca 0.30 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.36 1wha s PRO 102 Cb 0.04 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1wha s PRO 102 CO 0.17 -0.09 0.11 -1.54 0.04 0.00 0.00 177.00 175.68 1wha s SER 103 N -0.37 -0.11 0.03 6.66 1.04 -1.26 -5.16 113.70 114.53 1wha s SER 103 Ca 0.50 0.22 0.05 0.00 0.48 0.00 0.00 55.95 57.19 1wha s SER 103 Cb -0.37 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1wha s SER 103 CO 0.45 -0.04 -0.14 -0.44 0.98 0.00 0.00 173.24 174.05 1wha s SER 104 N 0.13 1.65 0.00 7.02 0.01 -1.26 -5.35 113.70 115.90 1wha s SER 104 Ca -0.01 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1wha s SER 104 Cb -0.01 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1wha s SER 104 CO -0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31