#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha s SER 2 N 0.00 6.31 0.33 1.61 0.01 -1.26 -4.90 113.70 115.80 1wha s SER 2 Ca 0.00 -1.28 0.08 0.00 1.31 0.00 0.00 55.95 56.06 1wha s SER 2 Cb 0.00 -2.42 0.95 0.00 0.21 0.00 0.00 66.02 64.75 1wha s SER 2 CO 0.00 -1.36 1.57 -0.24 0.41 0.00 0.00 173.24 173.62 1wha n SER 3 N 7.50 0.03 -4.47 2.44 2.88 -1.26 -4.26 113.62 116.49 1wha n SER 3 Ca 0.05 1.68 -0.33 0.00 -1.33 0.00 0.00 58.87 58.95 1wha n SER 3 Cb 0.47 -0.68 -0.13 0.00 -0.75 0.00 0.00 64.21 63.12 1wha n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wha s GLY 4 N -4.40 1.52 -0.18 0.46 0.00 -1.26 -5.11 107.32 98.35 1wha s GLY 4 Ca -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1wha s GLY 4 CO 0.78 -0.76 -0.14 -0.56 0.00 0.00 0.00 173.10 172.42 1wha s SER 5 N -0.71 3.13 1.01 1.64 0.01 -1.26 -4.90 113.70 112.62 1wha s SER 5 Ca 0.11 -0.72 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 1wha s SER 5 Cb -0.11 -1.28 -0.07 0.00 0.21 0.00 0.00 66.02 64.77 1wha s SER 5 CO 0.01 -0.09 -0.54 -1.54 0.41 0.00 0.00 173.24 171.49 1wha n SER 6 N 4.69 -3.81 -3.69 2.44 3.41 -1.26 -4.56 113.62 110.83 1wha n SER 6 Ca -0.17 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.28 1wha n SER 6 Cb 0.48 -0.85 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 7 N -1.39 0.84 0.23 5.00 0.00 0.41 -4.93 107.32 107.48 1wha s GLY 7 Ca 0.46 -1.27 -0.08 0.00 0.00 0.00 0.00 44.72 43.82 1wha s GLY 7 CO 0.73 1.66 0.53 0.50 0.00 0.00 0.00 173.10 176.52 1wha s ARG 8 N 1.79 3.76 0.37 2.90 0.52 -1.26 -1.10 118.95 125.92 1wha s ARG 8 Ca 0.07 0.20 -0.10 0.00 -0.52 0.00 0.00 55.73 55.37 1wha s ARG 8 Cb -0.17 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1wha s ARG 8 CO -0.23 0.32 0.66 -3.38 0.02 0.00 0.00 175.30 172.69 1wha s HIS 9 N -1.84 0.50 0.08 -0.53 -3.43 -1.18 -5.00 115.29 103.89 1wha s HIS 9 Ca 0.46 -0.99 0.10 0.00 -0.80 0.00 0.00 55.06 53.83 1wha s HIS 9 Cb -0.11 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.47 1wha s HIS 9 CO 0.23 -1.39 -0.26 0.54 -2.00 0.00 0.00 174.74 171.86 1wha s VAL 10 N -2.63 2.13 -0.09 -5.38 0.11 -1.26 -3.22 120.40 110.06 1wha s VAL 10 Ca 0.21 -1.51 -0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1wha s VAL 10 Cb -0.03 -1.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1wha s VAL 10 CO 0.15 0.25 -0.01 0.00 -3.33 0.00 0.00 175.10 172.16 1wha s ALA 11 N -0.90 0.82 -0.11 1.54 0.00 -1.21 -4.99 121.76 116.90 1wha s ALA 11 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1wha s ALA 11 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1wha s ALA 11 CO 0.03 -0.50 -0.23 0.00 0.00 0.00 0.00 175.76 175.06 1wha s LEU 13 N 0.54 1.11 -0.41 0.00 1.43 -1.25 -5.02 118.68 115.06 1wha s LEU 13 Ca -0.14 -1.39 -0.26 0.00 -1.03 0.00 0.00 54.13 51.31 1wha s LEU 13 Cb -0.17 0.73 0.02 0.00 0.03 0.00 0.00 46.19 46.80 1wha s LEU 13 CO 0.05 -0.97 0.92 0.00 0.23 0.00 0.00 176.35 176.58 1wha s ALA 14 N -3.91 3.32 -0.15 4.21 0.00 -1.26 -3.77 121.76 120.20 1wha s ALA 14 Ca 0.36 -0.62 -0.40 0.00 0.00 0.00 0.00 51.96 51.30 1wha s ALA 14 Cb 0.04 -3.59 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 1wha s ALA 14 CO 0.15 -1.83 1.55 -2.13 0.00 0.00 0.00 175.76 173.50 1wha n ARG 15 N 6.97 0.98 -4.61 0.00 0.63 -0.87 -4.69 116.66 115.07 1wha n ARG 15 Ca 0.07 0.36 -0.29 0.00 -0.92 0.00 0.00 57.85 57.06 1wha n ARG 15 Cb 0.48 -2.00 -0.14 0.00 0.45 0.00 0.00 32.46 31.26 1wha n ARG 15 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wha s SER 16 N 2.20 3.24 0.55 6.15 0.15 -1.26 -4.85 113.70 119.87 1wha s SER 16 Ca 0.94 -0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.18 1wha s SER 16 Cb -1.08 -0.25 1.45 0.00 -1.71 0.00 0.00 66.02 64.44 1wha s SER 16 CO 0.60 0.21 1.97 1.05 1.20 0.00 0.00 173.24 178.27 1wha h GLU 17 N 4.28 0.00 0.00 5.44 4.11 -2.00 0.45 114.58 126.86 1wha h GLU 17 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 1wha h GLU 17 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1wha h GLU 17 CO 0.41 0.00 -0.20 0.00 0.07 0.00 0.00 179.01 179.29 1wha h ARG 18 N 0.00 0.00 0.00 1.06 3.08 -1.97 -3.46 114.38 113.09 1wha h ARG 18 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1wha h ARG 18 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1wha h ARG 18 CO -0.00 0.20 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 1wha n GLY 19 N -0.02 0.93 2.46 0.04 0.00 0.15 -4.73 105.19 104.02 1wha n GLY 19 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 0.00 0.99 4.77 -0.98 -3.34 117.00 116.44 1wha n LEU 20 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1wha n LEU 20 Cb 0.00 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.34 1wha n LEU 20 CO 0.00 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1wha n GLY 21 N -1.09 1.50 3.90 -0.72 0.00 -1.26 -4.63 105.19 102.88 1wha n GLY 21 Ca -0.21 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 3.51 0.37 1.61 -0.71 -1.21 -1.74 117.98 119.81 1wha s PHE 22 Ca 0.00 0.52 0.08 0.00 -1.04 0.00 0.00 56.93 56.49 1wha s PHE 22 Cb 0.00 -1.97 -0.03 0.00 -1.21 0.00 0.00 43.02 39.81 1wha s PHE 22 CO 0.00 0.50 0.31 -1.12 -1.34 0.00 0.00 175.22 173.56 1wha s SER 23 N -2.26 5.09 0.22 1.98 0.01 0.10 -4.77 113.70 114.07 1wha s SER 23 Ca 0.37 -0.65 0.09 0.00 1.31 0.00 0.00 55.95 57.07 1wha s SER 23 Cb -0.13 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1wha s SER 23 CO 0.23 -0.47 -0.08 0.27 0.41 0.00 0.00 173.24 173.60 1wha s ILE 24 N -2.40 3.20 0.04 1.44 -4.36 -1.26 -3.00 121.20 114.85 1wha s ILE 24 Ca 0.43 -1.82 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1wha s ILE 24 Cb -0.04 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1wha s ILE 24 CO 0.26 -0.23 0.13 0.00 0.24 0.00 0.00 174.94 175.35 1wha s ALA 25 N -1.99 -0.18 0.00 2.27 0.00 -0.06 -4.67 121.76 117.13 1wha s ALA 25 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1wha s ALA 25 Cb -0.08 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1wha s ALA 25 CO 0.17 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1wha n GLY 26 N 0.76 2.59 2.68 0.00 0.00 -1.11 -0.04 105.19 110.07 1wha n GLY 26 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 -3.43 3.73 -0.02 0.00 -1.16 -4.53 105.19 99.56 1wha n GLY 27 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.32 4.14 0.00 1.61 -0.14 -1.26 -2.27 119.74 120.51 1wha s LYS 28 Ca 0.41 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 57.58 1wha s LYS 28 Cb -0.28 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 1wha s LYS 28 CO 0.65 -0.68 0.00 0.41 -0.76 0.00 0.00 175.35 174.97 1wha n GLY 29 N 3.21 2.89 2.49 -3.33 0.00 -1.26 -3.44 105.19 105.75 1wha n GLY 29 Ca 0.12 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1wha n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wha n SER 30 N 0.92 0.21 -4.74 1.61 3.41 -0.96 -5.00 113.62 109.07 1wha n SER 30 Ca 0.00 -1.39 -0.41 0.00 -0.26 0.00 0.00 58.87 56.81 1wha n SER 30 Cb 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wha s THR 31 N -2.70 2.75 -1.17 6.66 2.01 -1.26 -4.85 115.64 117.08 1wha s THR 31 Ca 0.47 0.61 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 1wha s THR 31 Cb -0.01 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 1wha s THR 31 CO 0.33 0.09 1.94 -2.16 -0.69 0.00 0.00 174.62 174.12 1wha s PRO 32 N -0.06 2.49 0.53 4.92 0.04 -1.26 -2.74 135.00 138.92 1wha s PRO 32 Ca 0.61 -1.11 0.36 0.00 0.04 0.00 0.00 61.00 60.89 1wha s PRO 32 Cb -0.41 -5.23 1.22 0.00 0.04 0.00 0.00 34.50 30.12 1wha s PRO 32 CO 0.40 -3.95 1.31 0.98 0.04 0.00 0.00 177.00 175.78 1wha n TYR 33 N 14.38 0.00 -3.71 0.56 9.36 -1.26 -3.49 117.16 133.00 1wha n TYR 33 Ca 0.44 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.40 1wha n TYR 33 Cb 0.47 -0.35 -0.17 0.00 -0.63 0.00 0.00 39.34 38.66 1wha n TYR 33 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wha s ARG 34 N -4.47 0.46 -0.24 2.98 0.52 -1.26 -5.02 118.95 111.92 1wha s ARG 34 Ca -0.03 -0.21 -0.40 0.00 -0.52 0.00 0.00 55.73 54.57 1wha s ARG 34 Cb 0.19 -1.78 -0.16 0.00 0.52 0.00 0.00 34.95 33.73 1wha s ARG 34 CO 0.63 -0.58 1.70 0.00 0.02 0.00 0.00 175.30 177.08 1wha n ALA 35 N 5.14 -0.28 -2.34 2.13 0.00 -1.23 -0.85 120.51 123.07 1wha n ALA 35 Ca -0.08 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 1wha n ALA 35 Cb 0.48 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1wha n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 36 N 4.02 0.55 2.92 0.00 0.00 -1.26 -5.06 105.19 106.37 1wha n GLY 36 Ca 0.26 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1wha n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wha s ASP 37 N -2.97 -0.00 -0.19 1.61 -1.08 -0.03 -5.04 116.67 108.97 1wha s ASP 37 Ca 0.03 -0.00 0.14 0.00 -0.52 0.00 0.00 52.55 52.20 1wha s ASP 37 Cb -0.01 0.08 0.39 0.00 -1.46 0.00 0.00 42.92 41.91 1wha s ASP 37 CO 0.04 -0.06 1.23 0.00 0.52 0.00 0.00 175.17 176.90 1wha n ALA 38 N 2.84 3.24 -1.80 3.66 0.00 -1.26 -4.75 120.51 122.44 1wha n ALA 38 Ca -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.27 1wha n ALA 38 Cb 0.59 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.20 1.48 2.71 0.00 0.00 -1.26 -4.50 105.19 102.42 1wha n GLY 39 Ca 0.19 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 1.86 -0.13 0.02 -0.61 1.01 -1.26 -3.00 121.20 119.09 1wha s ILE 40 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1wha s ILE 40 Cb 0.00 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 1wha s ILE 40 CO 0.00 0.16 -0.14 -0.36 0.00 0.00 0.00 174.94 174.60 1wha s PHE 41 N 2.06 1.23 -0.00 3.97 0.40 0.94 -0.20 117.98 126.39 1wha s PHE 41 Ca 0.03 -0.30 -0.32 0.00 -0.60 0.00 0.00 56.93 55.74 1wha s PHE 41 Cb -0.12 -0.76 -0.10 0.00 0.51 0.00 0.00 43.02 42.55 1wha s PHE 41 CO -0.04 0.01 1.92 0.28 0.70 0.00 0.00 175.22 178.10 1wha n VAL 42 N 2.27 0.66 -0.01 -0.44 0.31 -0.79 -0.88 118.33 119.46 1wha n VAL 42 Ca -0.16 -0.12 0.10 0.00 -0.01 0.00 0.00 64.34 64.15 1wha n VAL 42 Cb 0.55 -2.12 -0.15 0.00 -0.91 0.00 0.00 33.84 31.20 1wha n VAL 42 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wha n SER 43 N 6.98 0.48 -3.74 4.52 2.88 -1.16 -1.20 113.62 122.38 1wha n SER 43 Ca 0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 1wha n SER 43 Cb 0.36 1.89 -0.09 0.00 -0.75 0.00 0.00 64.21 65.62 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wha s ARG 44 N -3.36 0.58 -0.04 -1.46 3.00 -1.25 -4.98 118.95 111.44 1wha s ARG 44 Ca -0.07 0.20 0.02 0.00 -1.00 0.00 0.00 55.73 54.88 1wha s ARG 44 Cb 0.13 0.27 0.01 0.00 0.00 0.00 0.00 34.95 35.36 1wha s ARG 44 CO 0.82 -0.13 -0.07 0.42 0.00 0.00 0.00 175.30 176.34 1wha s ILE 45 N -0.54 0.72 -0.44 4.11 1.01 -1.26 0.01 121.20 124.82 1wha s ILE 45 Ca -0.07 -0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 1wha s ILE 45 Cb -0.04 -0.69 -0.08 0.00 0.01 0.00 0.00 42.46 41.67 1wha s ILE 45 CO 0.03 0.25 2.36 0.00 0.00 0.00 0.00 174.94 177.58 1wha n ALA 46 N 3.70 1.06 -2.29 9.38 0.00 -0.71 -4.80 120.51 126.86 1wha n ALA 46 Ca -0.22 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 1wha n ALA 46 Cb 0.52 -2.98 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 7.57 4.32 0.00 0.00 2.12 -1.26 -2.00 118.70 129.44 1wha s GLU 47 Ca 1.03 1.89 0.00 0.00 0.36 0.00 0.00 54.97 58.26 1wha s GLU 47 Cb -0.39 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1wha s GLU 47 CO 0.33 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1wha n GLY 48 N 3.52 2.25 0.00 -1.50 0.00 -1.26 -4.97 105.19 103.22 1wha n GLY 48 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -2.65 0.08 -0.02 0.00 -1.18 -4.54 105.19 96.88 1wha n GLY 49 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h ALA 50 N -2.00 0.07 -0.75 4.61 0.00 -1.94 -3.12 119.26 116.13 1wha h ALA 50 Ca 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.37 1wha h ALA 50 Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1wha h ALA 50 CO 0.00 0.41 -0.45 0.00 0.00 0.00 0.00 179.25 179.22 1wha n ALA 51 N -3.31 -0.48 0.48 0.00 0.00 -1.26 -0.32 120.51 115.61 1wha n ALA 51 Ca -0.13 0.64 -0.19 0.00 0.00 0.00 0.00 53.44 53.77 1wha n ALA 51 Cb 0.35 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1wha n ALA 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wha h HIS 52 N 0.00 -1.12 -0.83 0.00 6.17 -1.62 -3.10 115.15 114.64 1wha h HIS 52 Ca 0.12 -0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.31 1wha h HIS 52 Cb 0.31 0.37 -0.14 0.00 2.52 0.00 0.00 27.41 30.47 1wha h HIS 52 CO -0.98 -0.70 -0.30 -2.13 0.71 0.00 0.00 177.93 174.53 1wha n ARG 53 N -5.35 -0.17 -0.31 5.26 0.63 -0.83 0.15 116.66 116.04 1wha n ARG 53 Ca -0.15 1.29 0.16 0.00 -0.92 0.00 0.00 57.85 58.22 1wha n ARG 53 Cb 0.48 -1.91 0.33 0.00 0.45 0.00 0.00 32.46 31.81 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha h ALA 54 N 1.24 1.42 0.00 5.13 0.00 -0.59 -3.45 119.26 123.01 1wha h ALA 54 Ca 0.31 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1wha h ALA 54 Cb 0.52 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wha h ALA 54 CO -0.83 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 178.31 1wha n GLY 55 N -1.37 2.05 0.35 0.00 0.00 0.40 -4.75 105.19 101.87 1wha n GLY 55 Ca 0.24 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1wha n GLY 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wha h THR 56 N 0.00 0.01 -2.95 2.61 1.35 -1.85 -3.37 112.91 108.71 1wha h THR 56 Ca 0.00 -0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.32 1wha h THR 56 Cb 0.00 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 1wha h THR 56 CO 0.00 0.00 0.78 -0.76 -0.25 0.00 0.00 175.52 175.30 1wha s LEU 57 N -11.04 4.33 -0.07 3.87 1.43 -1.26 -5.01 118.68 110.93 1wha s LEU 57 Ca -0.13 2.15 -0.03 0.00 -1.03 0.00 0.00 54.13 55.08 1wha s LEU 57 Cb 0.29 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1wha s LEU 57 CO 0.78 -0.68 0.15 0.00 0.23 0.00 0.00 176.35 176.83 1wha s GLN 58 N 2.00 0.11 -0.46 1.70 -2.07 -1.26 -4.82 119.66 114.87 1wha s GLN 58 Ca 0.63 0.36 -0.43 0.00 -1.82 0.00 0.00 55.36 54.11 1wha s GLN 58 Cb -0.32 -0.14 -0.18 0.00 -1.09 0.00 0.00 33.01 31.28 1wha s GLN 58 CO 0.27 -0.15 1.99 0.28 -1.32 0.00 0.00 175.29 176.37 1wha n VAL 59 N 4.05 0.05 0.00 3.63 0.31 -1.26 -1.83 118.33 123.28 1wha n VAL 59 Ca -0.25 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1wha n VAL 59 Cb 0.53 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 6.28 2.29 3.67 2.92 0.00 -0.34 -4.96 105.19 115.05 1wha n GLY 60 Ca 0.45 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 3.16 -4.80 1.61 8.00 -0.76 -4.52 116.55 119.24 1wha n ASP 61 Ca 0.00 1.07 -0.39 0.00 0.71 0.00 0.00 54.79 56.19 1wha n ASP 61 Cb 0.00 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 39.61 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wha s ARG 62 N 1.12 4.26 -0.47 -1.24 3.52 -1.26 -1.88 118.95 123.00 1wha s ARG 62 Ca 0.79 0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 56.97 1wha s ARG 62 Cb -0.67 -3.26 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1wha s ARG 62 CO 0.38 0.58 0.66 0.08 -0.81 0.00 0.00 175.30 176.19 1wha s VAL 63 N -0.93 4.81 -0.08 7.11 1.01 0.72 -2.58 120.40 130.45 1wha s VAL 63 Ca 0.30 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1wha s VAL 63 Cb -0.20 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 1wha s VAL 63 CO 0.19 -0.70 0.71 -0.07 0.00 0.00 0.00 175.10 175.24 1wha h LEU 64 N 9.79 -0.10 -7.61 3.92 3.38 -1.01 -3.36 115.31 120.31 1wha h LEU 64 Ca -0.26 -0.46 -0.22 0.00 0.09 0.00 0.00 57.88 57.03 1wha h LEU 64 Cb 1.09 0.03 -0.29 0.00 0.09 0.00 0.00 40.66 41.59 1wha h LEU 64 CO 0.93 0.55 -0.64 -0.44 0.09 0.00 0.00 178.44 178.93 1wha s SER 65 N -5.68 -0.07 -0.44 -0.43 0.01 -1.25 -1.03 113.70 104.83 1wha s SER 65 Ca -0.12 0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1wha s SER 65 Cb -0.00 0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.46 1wha s SER 65 CO 0.46 -0.05 0.28 -0.63 0.41 0.00 0.00 173.24 173.70 1wha s ILE 66 N 0.29 3.95 -0.60 1.44 1.01 0.53 -1.35 121.20 126.48 1wha s ILE 66 Ca -0.02 -1.74 -0.03 0.00 0.00 0.00 0.00 60.65 58.86 1wha s ILE 66 Cb -0.03 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1wha s ILE 66 CO -0.01 -0.66 0.52 -3.20 0.00 0.00 0.00 174.94 171.58 1wha n ASN 67 N 4.82 -3.39 0.00 3.58 2.85 0.04 -2.75 115.26 120.42 1wha n ASN 67 Ca -0.07 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 1wha n ASN 67 Cb 0.41 -2.59 0.00 0.00 1.24 0.00 0.00 39.78 38.85 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 -1.15 2.20 3.59 8.20 0.00 -1.26 -4.99 105.19 111.78 1wha n GLY 68 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.37 5.02 -0.26 1.61 1.01 -1.11 -5.01 120.40 118.28 1wha s VAL 69 Ca 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1wha s VAL 69 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1wha s VAL 69 CO 0.00 -0.09 2.02 -0.62 0.00 0.00 0.00 175.10 176.41 1wha s ASP 70 N 1.66 5.69 -0.13 3.32 2.15 -1.26 -0.34 116.67 127.76 1wha s ASP 70 Ca 0.21 1.64 0.15 0.00 0.43 0.00 0.00 52.55 54.98 1wha s ASP 70 Cb -0.15 -2.52 0.30 0.00 -0.30 0.00 0.00 42.92 40.25 1wha s ASP 70 CO 0.12 -1.82 1.15 1.33 -0.17 0.00 0.00 175.17 175.78 1wha n VAL 71 N 7.54 1.64 -0.34 1.11 0.24 -0.23 -4.73 118.33 123.56 1wha n VAL 71 Ca 0.26 -2.19 0.12 0.00 -2.04 0.00 0.00 64.34 60.50 1wha n VAL 71 Cb 0.46 -0.08 0.31 0.00 -1.47 0.00 0.00 33.84 33.05 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 1.49 0.70 0.00 3.34 1.35 -1.24 -2.57 112.91 115.98 1wha h THR 72 Ca -0.01 -0.25 -0.04 0.00 -0.55 0.00 0.00 66.41 65.55 1wha h THR 72 Cb 1.10 -0.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.32 1wha h THR 72 CO 0.01 0.13 -0.51 -0.62 -0.25 0.00 0.00 175.52 174.28 1wha n GLU 73 N -4.79 0.82 -1.53 4.72 1.02 -1.26 -4.21 120.64 115.40 1wha n GLU 73 Ca 0.23 -2.36 -0.31 0.00 -0.02 0.00 0.00 57.16 54.70 1wha n GLU 73 Cb 0.56 -0.98 0.07 0.00 -0.02 0.00 0.00 31.44 31.07 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 -1.73 2.47 0.49 0.62 0.00 -0.97 -4.94 121.76 117.71 1wha s ALA 74 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 1wha s ALA 74 Cb 0.28 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 1wha s ALA 74 CO -0.06 -1.46 1.07 1.03 0.00 0.00 0.00 175.76 176.34 1wha s ARG 75 N -5.06 3.69 0.02 0.00 0.52 -1.26 -4.02 118.95 112.84 1wha s ARG 75 Ca 0.59 1.47 -0.05 0.00 -0.52 0.00 0.00 55.73 57.22 1wha s ARG 75 Cb -0.15 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1wha s ARG 75 CO 0.55 -0.54 1.09 1.25 0.02 0.00 0.00 175.30 177.66 1wha h HIS 76 N 1.55 -0.28 -0.89 -0.53 -0.00 -1.77 0.19 115.15 113.43 1wha h HIS 76 Ca -0.50 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.00 1wha h HIS 76 Cb 1.23 0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 28.70 1wha h HIS 76 CO 0.55 -0.07 0.52 -0.44 -0.00 0.00 0.00 177.93 178.49 1wha h ASP 77 N -0.04 0.75 -0.04 3.26 3.32 -1.93 -1.78 116.42 119.95 1wha h ASP 77 Ca 0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1wha h ASP 77 Cb 0.08 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1wha h ASP 77 CO -0.12 0.41 -0.38 -0.74 -1.72 0.00 0.00 179.24 176.69 1wha h HIS 78 N 0.84 -1.08 -0.98 4.55 2.76 -1.48 0.11 115.15 119.86 1wha h HIS 78 Ca 0.44 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.67 1wha h HIS 78 Cb 0.43 0.48 -0.05 0.00 1.55 0.00 0.00 27.41 29.82 1wha h HIS 78 CO -0.04 -0.46 0.65 0.00 -1.30 0.00 0.00 177.93 176.77 1wha h ALA 79 N 0.11 1.34 -0.91 5.26 0.00 -0.21 -2.19 119.26 122.68 1wha h ALA 79 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wha h ALA 79 Cb 0.62 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1wha h ALA 79 CO -0.32 0.58 0.53 0.28 0.00 0.00 0.00 179.25 180.32 1wha h VAL 80 N 1.27 1.25 -0.35 0.00 2.07 -0.45 -2.09 116.25 117.95 1wha h VAL 80 Ca 0.38 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.44 1wha h VAL 80 Cb -0.04 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1wha h VAL 80 CO -0.11 0.27 0.85 -1.28 0.02 0.00 0.00 177.57 177.32 1wha h SER 81 N 1.25 0.00 0.23 0.57 0.87 -0.15 1.47 113.55 117.79 1wha h SER 81 Ca 0.32 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.55 1wha h SER 81 Cb -0.03 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.87 1wha h SER 81 CO -0.06 0.00 -2.06 0.18 -0.53 0.00 0.00 176.83 174.36 1wha n LEU 82 N -2.96 0.92 0.02 2.23 4.77 -0.79 -3.22 117.00 117.97 1wha n LEU 82 Ca 0.07 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1wha n LEU 82 Cb 0.97 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 42.04 1wha n LEU 82 CO 0.13 0.53 0.37 -0.07 -1.33 0.00 0.00 177.39 177.02 1wha h LEU 83 N 0.01 -0.13 -0.54 2.23 3.38 0.19 -3.23 115.31 117.21 1wha h LEU 83 Ca -0.42 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1wha h LEU 83 Cb 2.09 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1wha h LEU 83 CO 0.05 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.41 1wha n THR 84 N -4.86 0.19 -0.60 0.22 -2.24 0.37 -4.88 114.28 102.48 1wha n THR 84 Ca -0.07 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 1wha n THR 84 Cb 0.27 0.09 0.15 0.00 -2.10 0.00 0.00 70.33 68.75 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wha n ALA 85 N -0.08 -2.35 -2.03 6.98 0.00 -1.20 -4.80 120.51 117.02 1wha n ALA 85 Ca 0.06 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.92 1wha n ALA 85 Cb 0.13 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -4.40 6.53 -3.09 0.00 0.00 -1.26 -4.89 120.51 113.40 1wha n ALA 86 Ca 0.04 -4.10 -0.12 0.00 0.00 0.00 0.00 53.44 49.25 1wha n ALA 86 Cb 0.48 -2.86 -0.12 0.00 0.00 0.00 0.00 19.45 16.95 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 0.59 -0.19 0.18 0.00 0.01 -1.26 -5.05 113.70 107.97 1wha s SER 87 Ca 0.52 0.35 -0.07 0.00 1.31 0.00 0.00 55.95 58.06 1wha s SER 87 Cb 0.16 0.40 0.07 0.00 0.21 0.00 0.00 66.02 66.86 1wha s SER 87 CO -0.07 -0.10 1.52 1.55 0.41 0.00 0.00 173.24 176.55 1wha h PRO 88 N 5.66 0.77 -6.53 12.44 0.13 -1.94 -3.41 132.00 139.12 1wha h PRO 88 Ca -0.26 -0.41 -0.67 0.00 -0.87 0.00 0.00 66.00 63.79 1wha h PRO 88 Cb 1.20 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1wha h PRO 88 CO 0.38 1.03 -0.75 0.95 -0.23 0.00 0.00 178.00 179.39 1wha s THR 89 N -4.31 3.28 -0.00 1.56 -4.23 -1.26 -2.04 115.64 108.63 1wha s THR 89 Ca -0.09 -1.20 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1wha s THR 89 Cb 0.12 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wha s THR 89 CO 0.86 0.19 0.20 -0.63 -0.54 0.00 0.00 174.62 174.70 1wha s ILE 90 N -1.13 0.07 0.12 2.99 1.01 -1.25 -4.95 121.20 118.07 1wha s ILE 90 Ca 0.19 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1wha s ILE 90 Cb -0.11 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1wha s ILE 90 CO 0.11 -0.34 -0.12 0.00 0.00 0.00 0.00 174.94 174.59 1wha s ALA 91 N -1.37 2.88 0.07 9.38 0.00 -1.26 -3.86 121.76 127.60 1wha s ALA 91 Ca -0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1wha s ALA 91 Cb -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1wha s ALA 91 CO 0.03 0.59 -0.01 -0.51 0.00 0.00 0.00 175.76 175.86 1wha s LEU 92 N -2.32 2.32 -0.27 0.00 1.43 -1.14 -0.78 118.68 117.93 1wha s LEU 92 Ca 0.21 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1wha s LEU 92 Cb -0.10 0.23 0.08 0.00 0.03 0.00 0.00 46.19 46.43 1wha s LEU 92 CO 0.13 -0.63 0.05 -0.22 0.23 0.00 0.00 176.35 175.91 1wha s LEU 93 N -2.95 2.14 0.21 1.79 2.96 -0.46 -3.33 118.68 119.05 1wha s LEU 93 Ca 0.11 -1.35 0.04 0.00 -0.22 0.00 0.00 54.13 52.71 1wha s LEU 93 Cb 0.08 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 1wha s LEU 93 CO -0.07 -0.35 0.33 -0.76 -1.32 0.00 0.00 176.35 174.18 1wha s LEU 94 N 1.60 4.31 -0.09 -0.68 1.43 -1.20 -0.35 118.68 123.71 1wha s LEU 94 Ca 0.04 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1wha s LEU 94 Cb -0.18 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1wha s LEU 94 CO -0.16 -0.03 -0.14 -0.70 0.23 0.00 0.00 176.35 175.55 1wha s GLU 95 N -3.74 1.99 -0.17 1.70 2.12 -1.07 -3.08 118.70 116.45 1wha s GLU 95 Ca 0.34 -0.48 -0.08 0.00 0.36 0.00 0.00 54.97 55.11 1wha s GLU 95 Cb -0.10 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 1wha s GLU 95 CO 0.29 -0.05 0.09 0.50 -0.54 0.00 0.00 175.26 175.54 1wha s ARG 96 N 0.95 3.92 -0.06 4.30 6.06 -0.26 -4.16 118.95 129.69 1wha s ARG 96 Ca -0.08 -0.29 -0.20 0.00 -2.50 0.00 0.00 55.73 52.66 1wha s ARG 96 Cb -0.15 -3.25 -0.05 0.00 0.06 0.00 0.00 34.95 31.57 1wha s ARG 96 CO -0.00 0.36 0.55 -1.21 -2.50 0.00 0.00 175.30 172.50 1wha s GLU 97 N 0.13 4.32 -0.76 5.12 0.41 -1.26 -0.45 118.70 126.22 1wha s GLU 97 Ca 0.06 0.61 -0.23 0.00 -0.41 0.00 0.00 54.97 55.01 1wha s GLU 97 Cb -0.12 -3.39 0.07 0.00 -1.78 0.00 0.00 34.13 28.90 1wha s GLU 97 CO 0.00 0.24 1.13 0.00 -0.49 0.00 0.00 175.26 176.14 1wha s ALA 98 N 0.28 3.00 -0.29 5.21 0.00 -1.26 -4.92 121.76 123.78 1wha s ALA 98 Ca 0.29 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1wha s ALA 98 Cb -0.17 -4.07 0.19 0.00 0.00 0.00 0.00 23.12 19.08 1wha s ALA 98 CO 0.14 -3.04 0.62 0.20 0.00 0.00 0.00 175.76 173.68 1wha s GLY 99 N 3.84 -1.12 -0.04 0.00 0.00 -1.26 -4.72 107.32 104.02 1wha s GLY 99 Ca 0.30 1.49 -0.02 0.00 0.00 0.00 0.00 44.72 46.49 1wha s GLY 99 CO 0.06 3.56 0.08 -0.56 0.00 0.00 0.00 173.10 176.24 1wha s SER 100 N 2.85 0.59 0.00 1.64 0.01 -1.26 -5.01 113.70 112.52 1wha s SER 100 Ca 0.15 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1wha s SER 100 Cb -0.12 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1wha s SER 100 CO -0.23 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1wha n GLY 101 N 4.83 -2.38 3.60 3.44 0.00 -1.26 -5.11 105.19 108.31 1wha n GLY 101 Ca -0.14 0.77 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 1wha n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wha s PRO 102 N 0.00 3.46 0.05 1.61 0.04 -1.26 -4.96 135.00 133.94 1wha s PRO 102 Ca 0.00 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 1wha s PRO 102 Cb 0.00 -4.13 0.05 0.00 0.04 0.00 0.00 34.50 30.45 1wha s PRO 102 CO 0.00 -1.71 0.50 -1.12 0.04 0.00 0.00 177.00 174.71 1wha s SER 103 N 5.32 -0.41 0.46 6.66 0.01 -1.26 -5.18 113.70 119.31 1wha s SER 103 Ca 0.75 0.14 0.06 0.00 1.31 0.00 0.00 55.95 58.20 1wha s SER 103 Cb -0.21 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1wha s SER 103 CO 0.33 -0.71 0.63 -0.44 0.41 0.00 0.00 173.24 173.46 1wha s SER 104 N -1.99 5.53 0.00 2.44 0.01 -1.26 -5.31 113.70 113.12 1wha s SER 104 Ca -0.05 -0.32 0.31 0.00 1.31 0.00 0.00 55.95 57.21 1wha s SER 104 Cb -0.01 -0.69 1.79 0.00 0.21 0.00 0.00 66.02 67.33 1wha s SER 104 CO -0.02 -0.89 2.16 0.61 0.41 0.00 0.00 173.24 175.52