#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 -0.61 0.08 1.61 0.15 -1.26 -5.17 113.70 108.50 1wha s SER 2 Ca 0.00 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.61 1wha s SER 2 Cb 0.00 0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1wha s SER 2 CO 0.00 -0.41 0.00 -0.94 1.20 0.00 0.00 173.24 173.09 1wha s SER 3 N -0.49 5.04 -0.59 5.45 1.04 -1.26 -5.09 113.70 117.81 1wha s SER 3 Ca -0.06 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1wha s SER 3 Cb -0.03 -1.21 0.15 0.00 0.10 0.00 0.00 66.02 65.03 1wha s SER 3 CO 0.05 0.18 0.36 -0.83 0.98 0.00 0.00 173.24 173.98 1wha s GLY 4 N -2.27 2.53 -0.12 7.32 0.00 -1.26 -5.08 107.32 108.44 1wha s GLY 4 Ca 0.25 -3.34 -0.08 0.00 0.00 0.00 0.00 44.72 41.56 1wha s GLY 4 CO 0.18 1.05 0.16 -1.35 0.00 0.00 0.00 173.10 173.15 1wha s SER 5 N -0.03 6.40 0.93 1.64 1.04 -1.26 -4.81 113.70 117.61 1wha s SER 5 Ca 0.18 0.48 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 1wha s SER 5 Cb -0.22 -2.09 0.15 0.00 0.10 0.00 0.00 66.02 63.96 1wha s SER 5 CO -0.03 0.37 1.09 -0.44 0.98 0.00 0.00 173.24 175.21 1wha s SER 6 N -0.82 3.14 -0.31 7.02 0.01 -1.26 -4.47 113.70 117.02 1wha s SER 6 Ca 0.15 1.52 0.02 0.00 1.31 0.00 0.00 55.95 58.95 1wha s SER 6 Cb -0.12 -2.19 0.09 0.00 0.21 0.00 0.00 66.02 64.01 1wha s SER 6 CO 0.04 -2.85 0.04 -0.83 0.41 0.00 0.00 173.24 170.05 1wha s GLY 7 N -3.29 1.56 0.32 3.44 0.00 -0.81 -4.95 107.32 103.60 1wha s GLY 7 Ca 0.64 -2.06 -0.21 0.00 0.00 0.00 0.00 44.72 43.10 1wha s GLY 7 CO 0.58 1.13 0.85 0.50 0.00 0.00 0.00 173.10 176.16 1wha s ARG 8 N 1.21 4.30 0.29 2.90 0.52 -1.26 -2.93 118.95 123.97 1wha s ARG 8 Ca 0.07 1.04 -0.07 0.00 -0.52 0.00 0.00 55.73 56.25 1wha s ARG 8 Cb -0.18 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 1wha s ARG 8 CO -0.13 0.21 0.45 -3.38 0.02 0.00 0.00 175.30 172.47 1wha s HIS 9 N -1.80 0.75 0.01 -0.53 -3.43 -1.14 -5.01 115.29 104.13 1wha s HIS 9 Ca 0.52 -1.05 0.07 0.00 -0.80 0.00 0.00 55.06 53.80 1wha s HIS 9 Cb -0.14 0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.00 1wha s HIS 9 CO 0.19 -1.03 -0.22 0.54 -2.00 0.00 0.00 174.74 172.22 1wha s VAL 10 N -3.57 1.75 -0.17 -5.38 0.11 -1.26 -2.55 120.40 109.33 1wha s VAL 10 Ca 0.28 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1wha s VAL 10 Cb 0.00 -1.47 0.03 0.00 -1.53 0.00 0.00 36.38 33.41 1wha s VAL 10 CO 0.14 0.40 -0.12 0.00 -3.33 0.00 0.00 175.10 172.19 1wha s ALA 11 N -0.62 1.92 -0.26 1.54 0.00 -0.97 -4.94 121.76 118.43 1wha s ALA 11 Ca 0.08 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1wha s ALA 11 Cb -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1wha s ALA 11 CO 0.00 -0.59 0.12 0.00 0.00 0.00 0.00 175.76 175.30 1wha s LEU 13 N 1.61 1.93 -0.46 0.00 1.43 -1.26 -5.01 118.68 116.93 1wha s LEU 13 Ca 0.07 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.67 1wha s LEU 13 Cb -0.15 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.19 1wha s LEU 13 CO 0.07 -0.65 1.09 0.00 0.23 0.00 0.00 176.35 177.09 1wha s ALA 14 N -3.82 3.21 0.25 4.21 0.00 -1.26 -3.71 121.76 120.64 1wha s ALA 14 Ca 0.25 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 1wha s ALA 14 Cb 0.07 -3.83 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 1wha s ALA 14 CO 0.04 -2.14 1.41 -2.13 0.00 0.00 0.00 175.76 172.94 1wha n ARG 15 N 7.62 2.07 -4.23 0.00 0.63 -1.12 -4.71 116.66 116.91 1wha n ARG 15 Ca 0.11 0.74 -0.15 0.00 -0.92 0.00 0.00 57.85 57.62 1wha n ARG 15 Cb 0.49 -2.39 -0.11 0.00 0.45 0.00 0.00 32.46 30.90 1wha n ARG 15 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wha s SER 16 N 0.27 1.79 0.53 6.15 1.04 -1.26 -4.87 113.70 117.35 1wha s SER 16 Ca 0.67 -0.90 0.18 0.00 0.48 0.00 0.00 55.95 56.38 1wha s SER 16 Cb -0.64 -0.03 1.35 0.00 0.10 0.00 0.00 66.02 66.81 1wha s SER 16 CO 0.50 -0.25 2.16 1.05 0.98 0.00 0.00 173.24 177.68 1wha h GLU 17 N 3.19 0.00 0.00 4.02 4.11 -1.94 -0.06 114.58 123.90 1wha h GLU 17 Ca -0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.03 1wha h GLU 17 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wha h GLU 17 CO 0.57 0.00 -0.10 0.00 0.07 0.00 0.00 179.01 179.55 1wha h ARG 18 N 0.00 0.00 0.00 1.06 2.47 -1.98 -3.46 114.38 112.47 1wha h ARG 18 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1wha h ARG 18 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1wha h ARG 18 CO -0.00 0.10 0.00 0.41 0.56 0.00 0.00 179.97 181.04 1wha n GLY 19 N -0.23 0.94 2.40 0.04 0.00 -0.05 -4.67 105.19 103.62 1wha n GLY 19 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.93 0.00 0.99 4.77 -1.13 -3.29 117.00 116.41 1wha n LEU 20 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1wha n LEU 20 Cb 0.00 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.24 1wha n LEU 20 CO 0.00 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1wha n GLY 21 N -1.03 1.31 3.91 -0.72 0.00 -1.26 -4.57 105.19 102.83 1wha n GLY 21 Ca -0.24 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 3.44 0.40 1.61 -0.71 -1.21 -3.28 117.98 118.23 1wha s PHE 22 Ca 0.00 0.78 0.08 0.00 -1.04 0.00 0.00 56.93 56.75 1wha s PHE 22 Cb 0.00 -2.53 -0.06 0.00 -1.21 0.00 0.00 43.02 39.22 1wha s PHE 22 CO 0.00 -0.55 0.09 -1.12 -1.34 0.00 0.00 175.22 172.29 1wha s SER 23 N -4.20 4.18 0.21 1.98 0.01 0.11 -4.69 113.70 111.30 1wha s SER 23 Ca 0.51 -1.16 0.10 0.00 1.31 0.00 0.00 55.95 56.71 1wha s SER 23 Cb -0.10 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 1wha s SER 23 CO 0.46 -0.45 -0.20 0.27 0.41 0.00 0.00 173.24 173.73 1wha s ILE 24 N -2.62 2.12 0.01 1.44 -4.36 -1.26 -1.88 121.20 114.65 1wha s ILE 24 Ca 0.38 -2.12 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1wha s ILE 24 Cb 0.05 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.69 1wha s ILE 24 CO 0.20 -0.33 0.08 0.00 0.24 0.00 0.00 174.94 175.14 1wha s ALA 25 N -2.21 -0.15 0.00 2.27 0.00 -0.08 -4.67 121.76 116.92 1wha s ALA 25 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1wha s ALA 25 Cb -0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1wha s ALA 25 CO 0.10 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1wha n GLY 26 N 1.36 0.34 6.52 0.00 0.00 -1.04 -2.15 105.19 110.22 1wha n GLY 26 Ca -0.22 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.77 3.86 -0.02 0.00 -0.47 -4.05 105.19 103.74 1wha n GLY 27 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.16 3.85 0.00 1.61 -0.14 -1.26 -4.30 119.74 119.34 1wha s LYS 28 Ca 0.00 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.91 1wha s LYS 28 Cb 0.00 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.20 1wha s LYS 28 CO 0.00 0.52 0.00 0.41 -0.76 0.00 0.00 175.35 175.52 1wha n GLY 29 N 0.80 1.63 1.87 -3.33 0.00 -1.26 -4.16 105.19 100.74 1wha n GLY 29 Ca -0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 2.35 -0.95 -4.73 1.61 7.64 -1.26 -5.00 113.62 113.28 1wha n SER 30 Ca 0.00 -0.99 -0.41 0.00 1.01 0.00 0.00 58.87 58.48 1wha n SER 30 Cb 0.00 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.20 4.28 -0.98 0.44 2.01 -1.26 -4.90 115.64 113.03 1wha s THR 31 Ca 0.37 1.94 -0.24 0.00 0.31 0.00 0.00 61.69 64.07 1wha s THR 31 Cb -0.03 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1wha s THR 31 CO 0.28 0.32 1.94 -2.16 -0.69 0.00 0.00 174.62 174.31 1wha s PRO 32 N -0.20 2.54 0.57 4.92 0.04 -1.26 -2.50 135.00 139.11 1wha s PRO 32 Ca 0.47 -0.53 0.46 0.00 0.04 0.00 0.00 61.00 61.44 1wha s PRO 32 Cb -0.25 -5.11 1.57 0.00 0.04 0.00 0.00 34.50 30.74 1wha s PRO 32 CO 0.31 -3.54 1.51 -0.92 0.04 0.00 0.00 177.00 174.40 1wha h TYR 33 N 10.86 0.00 -3.28 0.56 3.20 -1.83 -3.29 116.97 123.18 1wha h TYR 33 Ca 0.13 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.49 1wha h TYR 33 Cb 0.99 0.00 -0.38 0.00 1.54 0.00 0.00 36.73 38.87 1wha h TYR 33 CO 1.22 0.00 -0.78 1.03 -1.64 0.00 0.00 178.16 177.99 1wha s ARG 34 N -4.77 1.04 -0.21 1.82 1.81 -1.26 -5.04 118.95 112.34 1wha s ARG 34 Ca -0.04 -0.32 -0.36 0.00 -1.72 0.00 0.00 55.73 53.28 1wha s ARG 34 Cb 0.24 -1.74 -0.13 0.00 -0.45 0.00 0.00 34.95 32.87 1wha s ARG 34 CO 0.81 -0.44 1.90 0.00 -0.68 0.00 0.00 175.30 176.89 1wha n ALA 35 N 4.99 0.55 -1.22 2.13 0.00 -1.24 -0.30 120.51 125.41 1wha n ALA 35 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wha n ALA 35 Cb 0.48 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 4.78 0.51 2.78 0.00 0.00 -1.26 -5.05 105.19 106.95 1wha n GLY 36 Ca 0.28 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.87 0.50 -0.53 1.61 1.11 0.59 -5.03 116.67 112.05 1wha s ASP 37 Ca 0.00 0.16 0.02 0.00 0.18 0.00 0.00 52.55 52.91 1wha s ASP 37 Cb 0.00 0.02 0.55 0.00 1.07 0.00 0.00 42.92 44.57 1wha s ASP 37 CO 0.00 -0.19 1.91 0.00 1.18 0.00 0.00 175.17 178.07 1wha n ALA 38 N 4.76 5.83 -1.74 5.23 0.00 -1.26 -4.42 120.51 128.91 1wha n ALA 38 Ca -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1wha n ALA 38 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.03 1.50 3.08 0.00 0.00 -1.26 -4.47 105.19 103.02 1wha n GLY 39 Ca 0.59 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 1.97 -0.49 0.37 -0.61 1.01 -1.26 -1.37 121.20 120.83 1wha s ILE 40 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1wha s ILE 40 Cb 0.00 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 1wha s ILE 40 CO 0.00 0.10 0.03 -0.36 0.00 0.00 0.00 174.94 174.71 1wha s PHE 41 N 2.48 2.27 -0.09 3.97 0.40 -0.91 0.29 117.98 126.39 1wha s PHE 41 Ca 0.00 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.24 1wha s PHE 41 Cb -0.12 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 1wha s PHE 41 CO -0.10 0.25 1.15 0.08 0.70 0.00 0.00 175.22 177.30 1wha s VAL 42 N -2.97 4.41 -0.15 -0.44 1.01 -0.84 -0.90 120.40 120.52 1wha s VAL 42 Ca 0.35 1.72 0.14 0.00 0.00 0.00 0.00 61.98 64.19 1wha s VAL 42 Cb 0.09 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 1wha s VAL 42 CO 0.17 -0.02 0.24 -1.54 0.00 0.00 0.00 175.10 173.95 1wha n SER 43 N 5.32 0.54 -3.84 3.32 3.41 -0.79 -1.95 113.62 119.63 1wha n SER 43 Ca 0.11 0.12 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1wha n SER 43 Cb 0.47 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.53 0.56 -0.04 4.33 3.00 -1.25 -4.94 118.95 118.08 1wha s ARG 44 Ca -0.11 -0.38 0.02 0.00 -1.00 0.00 0.00 55.73 54.26 1wha s ARG 44 Cb 0.07 0.24 0.01 0.00 0.00 0.00 0.00 34.95 35.27 1wha s ARG 44 CO 0.81 -0.14 -0.09 0.42 0.00 0.00 0.00 175.30 176.30 1wha s ILE 45 N -1.52 0.81 -0.42 4.11 1.01 -1.26 0.05 121.20 123.97 1wha s ILE 45 Ca -0.13 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1wha s ILE 45 Cb -0.06 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1wha s ILE 45 CO 0.02 0.27 2.17 0.00 0.00 0.00 0.00 174.94 177.40 1wha s ALA 46 N 0.53 2.17 -0.42 9.38 0.00 -1.21 -4.87 121.76 127.34 1wha s ALA 46 Ca -0.09 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 1wha s ALA 46 Cb -0.12 -4.23 -0.01 0.00 0.00 0.00 0.00 23.12 18.76 1wha s ALA 46 CO 0.01 -3.69 1.75 -2.00 0.00 0.00 0.00 175.76 171.83 1wha s GLU 47 N 7.20 3.17 0.00 0.00 2.12 -1.26 -2.08 118.70 127.85 1wha s GLU 47 Ca 0.90 1.11 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1wha s GLU 47 Cb -0.21 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 29.96 1wha s GLU 47 CO 0.28 -2.06 0.00 0.41 -0.54 0.00 0.00 175.26 173.35 1wha n GLY 48 N 5.44 2.58 0.00 -1.50 0.00 -1.26 -5.06 105.19 105.40 1wha n GLY 48 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.46 0.26 0.10 -0.02 0.00 -0.88 -4.78 105.19 98.40 1wha n GLY 49 Ca 0.00 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 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 0.22 0.02 4.61 0.00 -1.92 -3.25 119.26 116.95 1wha h ALA 50 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 54.91 53.85 1wha h ALA 50 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wha h ALA 50 CO 0.00 0.58 -0.44 0.00 0.00 0.00 0.00 179.25 179.39 1wha h ALA 51 N -0.38 -0.88 0.20 0.00 0.00 -1.81 -1.42 119.26 114.97 1wha h ALA 51 Ca -0.28 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1wha h ALA 51 Cb 1.27 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 1wha h ALA 51 CO -0.16 -1.01 -0.48 1.25 0.00 0.00 0.00 179.25 178.85 1wha h HIS 52 N -0.57 -1.39 -0.92 0.00 6.17 -1.76 -2.48 115.15 114.20 1wha h HIS 52 Ca 0.01 0.03 0.15 0.00 0.71 0.00 0.00 60.37 61.27 1wha h HIS 52 Cb 0.60 0.58 -0.15 0.00 2.52 0.00 0.00 27.41 30.96 1wha h HIS 52 CO -0.48 -0.57 -0.33 -2.13 0.71 0.00 0.00 177.93 175.14 1wha n ARG 53 N -5.24 -0.19 -0.26 5.26 0.00 -1.13 -0.06 116.66 115.05 1wha n ARG 53 Ca -0.09 1.42 0.03 0.00 -0.00 0.00 0.00 57.85 59.21 1wha n ARG 53 Cb 0.39 -2.11 0.08 0.00 0.00 0.00 0.00 32.46 30.82 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wha n ALA 54 N -3.55 0.09 0.00 5.13 0.00 -0.55 -4.80 120.51 116.83 1wha n ALA 54 Ca 0.11 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1wha n ALA 54 Cb 0.39 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.41 2.69 0.34 0.00 0.00 0.91 -4.75 105.19 102.97 1wha n GLY 55 Ca 0.10 -0.63 0.17 0.00 0.00 0.00 0.00 46.02 45.66 1wha n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h THR 56 N 0.00 0.57 -3.00 2.61 1.03 -1.87 -3.40 112.91 108.86 1wha h THR 56 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 65.83 1wha h THR 56 Cb 0.00 0.81 -0.05 0.00 -1.07 0.00 0.00 68.15 67.85 1wha h THR 56 CO 0.00 0.00 0.89 -0.76 -0.01 0.00 0.00 175.52 175.64 1wha s LEU 57 N -7.96 4.11 -0.08 0.00 1.43 -1.26 -5.01 118.68 109.91 1wha s LEU 57 Ca -0.05 1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1wha s LEU 57 Cb 0.16 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1wha s LEU 57 CO 0.60 -0.79 0.20 0.00 0.23 0.00 0.00 176.35 176.59 1wha s GLN 58 N 3.53 0.21 -0.55 1.70 -2.07 -1.26 -4.78 119.66 116.44 1wha s GLN 58 Ca 0.52 0.33 -0.36 0.00 -1.82 0.00 0.00 55.36 54.03 1wha s GLN 58 Cb -0.19 0.03 -0.16 0.00 -1.09 0.00 0.00 33.01 31.60 1wha s GLN 58 CO 0.14 -0.07 2.30 0.28 -1.32 0.00 0.00 175.29 176.62 1wha n VAL 59 N 3.37 0.06 0.00 3.63 0.31 -1.26 -1.95 118.33 122.49 1wha n VAL 59 Ca -0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1wha n VAL 59 Cb 0.57 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 6.80 4.36 3.57 2.92 0.00 -0.82 -4.95 105.19 117.07 1wha n GLY 60 Ca 0.51 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 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 0.99 -4.89 1.61 8.00 -0.82 -4.44 116.55 117.00 1wha n ASP 61 Ca 0.00 1.17 -0.30 0.00 0.71 0.00 0.00 54.79 56.38 1wha n ASP 61 Cb 0.00 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.12 39.82 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 -1.43 3.69 -0.43 -1.24 3.52 -1.26 -1.99 118.95 119.81 1wha s ARG 62 Ca 0.60 0.14 -0.07 0.00 -0.13 0.00 0.00 55.73 56.27 1wha s ARG 62 Cb -0.74 -2.60 0.10 0.00 -1.56 0.00 0.00 34.95 30.15 1wha s ARG 62 CO 0.59 0.19 0.26 0.08 -0.81 0.00 0.00 175.30 175.61 1wha s VAL 63 N -2.08 3.88 -0.03 7.11 1.01 0.15 -3.20 120.40 127.25 1wha s VAL 63 Ca 0.46 -1.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 1wha s VAL 63 Cb -0.11 -3.50 -0.18 0.00 0.00 0.00 0.00 36.38 32.59 1wha s VAL 63 CO 0.28 -0.62 1.12 -0.07 0.00 0.00 0.00 175.10 175.81 1wha h LEU 64 N 8.30 -0.14 -8.42 3.92 3.38 -1.31 -3.39 115.31 117.65 1wha h LEU 64 Ca -0.19 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 1wha h LEU 64 Cb 1.07 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 1wha h LEU 64 CO 0.76 0.35 -0.67 -0.94 0.09 0.00 0.00 178.44 178.03 1wha s SER 65 N -5.49 0.65 -0.13 -0.43 1.04 -1.25 -1.45 113.70 106.64 1wha s SER 65 Ca -0.14 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1wha s SER 65 Cb 0.01 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1wha s SER 65 CO 0.58 -0.62 -0.00 -0.63 0.98 0.00 0.00 173.24 173.54 1wha s ILE 66 N -3.88 0.62 -1.46 -1.02 1.01 -0.01 -2.42 121.20 114.04 1wha s ILE 66 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1wha s ILE 66 Cb 0.07 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1wha s ILE 66 CO -0.02 0.09 0.16 -3.20 0.00 0.00 0.00 174.94 171.96 1wha n ASN 67 N 5.05 -5.10 -0.20 3.58 2.85 0.74 -1.65 115.26 120.53 1wha n ASN 67 Ca -0.09 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1wha n ASN 67 Cb 0.49 -4.24 0.00 0.00 1.24 0.00 0.00 39.78 37.27 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 -1.05 0.84 2.75 8.20 0.00 -1.26 -4.92 105.19 109.75 1wha n GLY 68 Ca -0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.40 0.41 -0.02 1.61 1.01 -0.66 -5.11 120.40 115.25 1wha s VAL 69 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1wha s VAL 69 Cb 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 1wha s VAL 69 CO 0.00 0.08 2.00 -0.67 0.00 0.00 0.00 175.10 176.51 1wha n ASP 70 N 5.12 3.94 -0.65 3.32 2.03 -1.26 -0.83 116.55 128.22 1wha n ASP 70 Ca -0.08 0.81 0.04 0.00 0.52 0.00 0.00 54.79 56.08 1wha n ASP 70 Cb 0.49 -1.51 0.06 0.00 -0.72 0.00 0.00 41.12 39.45 1wha n ASP 70 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wha n VAL 71 N 5.81 0.73 -0.20 5.18 0.24 -0.53 -4.79 118.33 124.77 1wha n VAL 71 Ca 0.22 -1.18 -0.02 0.00 -2.04 0.00 0.00 64.34 61.32 1wha n VAL 71 Cb 0.40 0.35 0.05 0.00 -1.47 0.00 0.00 33.84 33.17 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 4.60 0.37 0.00 3.34 1.35 -1.64 -2.52 112.91 118.41 1wha h THR 72 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1wha h THR 72 Cb 1.37 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 1wha h THR 72 CO 0.02 0.00 -0.35 -0.62 -0.25 0.00 0.00 175.52 174.32 1wha n GLU 73 N -5.42 1.37 -1.15 4.72 1.02 -1.26 -4.17 120.64 115.76 1wha n GLU 73 Ca 0.07 -2.94 -0.29 0.00 -0.02 0.00 0.00 57.16 53.97 1wha n GLU 73 Cb 0.32 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.89 1.19 0.40 0.62 0.00 -0.95 -4.91 121.76 115.21 1wha s ALA 74 Ca 0.35 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.92 1wha s ALA 74 Cb 0.33 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 1wha s ALA 74 CO -0.04 -2.64 0.91 1.03 0.00 0.00 0.00 175.76 175.01 1wha s ARG 75 N -4.92 4.21 0.06 0.00 0.52 -1.26 -4.19 118.95 113.37 1wha s ARG 75 Ca 0.65 1.04 -0.14 0.00 -0.52 0.00 0.00 55.73 56.76 1wha s ARG 75 Cb -0.19 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 1wha s ARG 75 CO 0.58 0.03 1.24 1.25 0.02 0.00 0.00 175.30 178.42 1wha h HIS 76 N 2.08 -0.76 -0.82 -0.53 2.76 -1.85 0.11 115.15 116.13 1wha h HIS 76 Ca -0.49 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 57.80 1wha h HIS 76 Cb 1.18 0.36 -0.07 0.00 1.55 0.00 0.00 27.41 30.43 1wha h HIS 76 CO 0.62 -0.21 0.48 -0.44 -1.30 0.00 0.00 177.93 177.08 1wha h ASP 77 N -0.16 0.73 -0.27 3.26 3.32 -1.94 -2.26 116.42 119.09 1wha h ASP 77 Ca 0.03 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1wha h ASP 77 Cb 0.25 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1wha h ASP 77 CO -0.27 0.44 -0.25 -0.74 -1.72 0.00 0.00 179.24 176.70 1wha h HIS 78 N 0.85 -0.66 -0.31 4.55 2.76 -1.60 -0.64 115.15 120.11 1wha h HIS 78 Ca 0.38 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.61 1wha h HIS 78 Cb 0.26 0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 1wha h HIS 78 CO -0.05 -0.32 0.15 0.00 -1.30 0.00 0.00 177.93 176.41 1wha h ALA 79 N 0.82 0.38 -0.84 5.26 0.00 -0.37 -2.09 119.26 122.42 1wha h ALA 79 Ca 0.14 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1wha h ALA 79 Cb 0.47 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1wha h ALA 79 CO -0.41 -0.23 0.55 0.28 0.00 0.00 0.00 179.25 179.43 1wha h VAL 80 N 0.32 0.84 -0.53 0.00 2.07 -0.81 -0.61 116.25 117.52 1wha h VAL 80 Ca 0.13 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.59 1wha h VAL 80 Cb 0.05 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1wha h VAL 80 CO -0.09 0.11 0.86 -1.28 0.02 0.00 0.00 177.57 177.19 1wha h SER 81 N 0.62 0.00 0.35 0.57 0.87 -0.40 1.57 113.55 117.12 1wha h SER 81 Ca 0.41 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.69 1wha h SER 81 Cb 0.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 1wha h SER 81 CO -0.17 0.00 -1.89 0.18 -0.53 0.00 0.00 176.83 174.42 1wha n LEU 82 N -3.17 0.55 0.02 2.23 4.77 -0.24 -3.35 117.00 117.81 1wha n LEU 82 Ca 0.11 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1wha n LEU 82 Cb 1.04 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 42.30 1wha n LEU 82 CO 0.18 0.36 0.39 -0.07 -1.33 0.00 0.00 177.39 176.93 1wha h LEU 83 N 0.00 -0.13 -0.22 2.23 3.38 0.21 -3.22 115.31 117.57 1wha h LEU 83 Ca -0.33 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1wha h LEU 83 Cb 1.96 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1wha h LEU 83 CO 0.05 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.42 1wha n THR 84 N -4.86 0.80 -0.54 0.22 -2.24 0.02 -4.82 114.28 102.87 1wha n THR 84 Ca -0.08 0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1wha n THR 84 Cb 0.28 -0.96 0.13 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.61 -0.09 -3.02 6.98 0.00 -1.21 -4.86 120.51 116.70 1wha n ALA 85 Ca 0.04 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 1wha n ALA 85 Cb 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -4.29 5.14 -3.71 0.00 0.00 -1.26 -4.95 120.51 111.44 1wha n ALA 86 Ca 0.06 -4.80 -0.20 0.00 0.00 0.00 0.00 53.44 48.49 1wha n ALA 86 Cb 0.31 -2.23 -0.18 0.00 0.00 0.00 0.00 19.45 17.35 1wha n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wha s SER 87 N -1.86 1.17 0.51 0.00 1.04 -1.26 -5.01 113.70 108.29 1wha s SER 87 Ca 0.32 0.02 0.33 0.00 0.48 0.00 0.00 55.95 57.09 1wha s SER 87 Cb 0.06 -0.24 1.35 0.00 0.10 0.00 0.00 66.02 67.29 1wha s SER 87 CO 0.09 -0.21 1.96 1.55 0.98 0.00 0.00 173.24 177.61 1wha h PRO 88 N 8.25 0.00 -4.40 4.02 0.13 -1.92 -3.39 132.00 134.69 1wha h PRO 88 Ca -0.19 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.45 1wha h PRO 88 Cb 1.12 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.91 1wha h PRO 88 CO 0.23 0.00 -0.80 0.95 -0.23 0.00 0.00 178.00 178.14 1wha s THR 89 N -3.63 0.98 -0.08 1.56 -4.23 -1.26 -2.81 115.64 106.17 1wha s THR 89 Ca 0.01 -0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1wha s THR 89 Cb 0.09 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 73.03 1wha s THR 89 CO 0.51 0.32 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.24 1wha s ILE 90 N 0.80 0.69 -0.32 2.99 1.01 -1.24 -4.99 121.20 120.14 1wha s ILE 90 Ca -0.12 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 1wha s ILE 90 Cb -0.15 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1wha s ILE 90 CO 0.02 0.30 0.63 0.00 0.00 0.00 0.00 174.94 175.89 1wha s ALA 91 N 1.55 3.51 -0.19 9.38 0.00 -1.26 -3.98 121.76 130.76 1wha s ALA 91 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1wha s ALA 91 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1wha s ALA 91 CO -0.04 -1.15 0.07 -0.51 0.00 0.00 0.00 175.76 174.12 1wha s LEU 92 N 2.65 3.76 -0.59 0.00 1.43 -1.13 -0.19 118.68 124.61 1wha s LEU 92 Ca 0.25 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 1wha s LEU 92 Cb -0.15 -1.96 0.13 0.00 0.03 0.00 0.00 46.19 44.24 1wha s LEU 92 CO 0.13 0.14 0.59 -0.22 0.23 0.00 0.00 176.35 177.22 1wha s LEU 93 N 0.58 6.01 0.29 1.79 0.20 -1.01 -2.30 118.68 124.24 1wha s LEU 93 Ca 0.03 -1.79 -0.02 0.00 0.69 0.00 0.00 54.13 53.05 1wha s LEU 93 Cb -0.13 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1wha s LEU 93 CO 0.01 -0.91 0.51 -0.76 -0.29 0.00 0.00 176.35 174.91 1wha s LEU 94 N 1.78 4.09 -0.20 -0.68 1.43 -1.06 -0.85 118.68 123.18 1wha s LEU 94 Ca 0.07 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1wha s LEU 94 Cb -0.26 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1wha s LEU 94 CO 0.02 -0.19 -0.14 -0.70 0.23 0.00 0.00 176.35 175.57 1wha s GLU 95 N -3.79 2.40 -0.10 1.70 2.12 -1.19 -2.89 118.70 116.96 1wha s GLU 95 Ca 0.41 -0.92 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 1wha s GLU 95 Cb -0.10 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1wha s GLU 95 CO 0.32 -0.37 0.28 0.50 -0.54 0.00 0.00 175.26 175.45 1wha s ARG 96 N 1.31 3.91 -0.30 4.30 6.06 -1.15 -4.37 118.95 128.71 1wha s ARG 96 Ca -0.00 0.11 -0.19 0.00 -2.50 0.00 0.00 55.73 53.15 1wha s ARG 96 Cb -0.16 -3.29 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 1wha s ARG 96 CO -0.09 0.54 0.57 -1.21 -2.50 0.00 0.00 175.30 172.60 1wha s GLU 97 N -0.44 3.88 -0.41 5.12 8.01 -1.26 -1.93 118.70 131.67 1wha s GLU 97 Ca 0.18 0.18 0.06 0.00 0.01 0.00 0.00 54.97 55.40 1wha s GLU 97 Cb -0.14 -3.73 0.68 0.00 -4.31 0.00 0.00 34.13 26.64 1wha s GLU 97 CO 0.07 -0.53 1.86 0.00 0.01 0.00 0.00 175.26 176.67 1wha n ALA 98 N 5.75 5.24 -3.49 5.21 0.00 -1.26 -4.69 120.51 127.27 1wha n ALA 98 Ca -0.03 -2.76 -0.27 0.00 0.00 0.00 0.00 53.44 50.38 1wha n ALA 98 Cb 0.49 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1wha n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 99 N -0.86 4.65 3.61 0.00 0.00 -1.26 -4.73 105.19 106.59 1wha n GLY 99 Ca 0.53 -2.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 1wha n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 100 N 1.03 1.51 -3.55 1.61 7.64 -1.26 -4.99 113.62 115.60 1wha n SER 100 Ca 0.28 1.17 -0.16 0.00 1.01 0.00 0.00 58.87 61.18 1wha n SER 100 Cb 0.40 -1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 1wha n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wha s GLY 101 N -0.53 -0.51 -0.30 0.23 0.00 -1.26 -5.12 107.32 99.82 1wha s GLY 101 Ca 0.58 1.60 -0.29 0.00 0.00 0.00 0.00 44.72 46.62 1wha s GLY 101 CO 0.60 1.14 1.67 2.56 0.00 0.00 0.00 173.10 179.07 1wha s PRO 102 N -0.86 3.54 0.26 2.90 0.04 -1.26 -5.00 135.00 134.62 1wha s PRO 102 Ca -0.07 1.43 0.12 0.00 0.04 0.00 0.00 61.00 62.51 1wha s PRO 102 Cb -0.01 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 1wha s PRO 102 CO 0.07 -1.61 -0.19 0.45 0.04 0.00 0.00 177.00 175.76 1wha s SER 103 N 5.07 3.65 -0.46 6.66 0.15 -1.26 -5.11 113.70 122.40 1wha s SER 103 Ca 0.74 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 1wha s SER 103 Cb -0.22 -0.34 0.12 0.00 -1.71 0.00 0.00 66.02 63.87 1wha s SER 103 CO 0.32 0.06 0.26 -0.44 1.20 0.00 0.00 173.24 174.64 1wha s SER 104 N -3.33 5.25 0.00 5.45 0.01 -1.26 -5.34 113.70 114.47 1wha s SER 104 Ca 0.28 -2.24 0.00 0.00 1.31 0.00 0.00 55.95 55.30 1wha s SER 104 Cb -0.06 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1wha s SER 104 CO 0.14 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.90