#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 5.37 -0.66 1.61 0.15 -1.26 -5.05 113.70 113.86 1wha s SER 2 Ca 0.00 -2.03 -0.27 0.00 0.70 0.00 0.00 55.95 54.35 1wha s SER 2 Cb 0.00 -1.88 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 1wha s SER 2 CO 0.00 -0.58 1.35 -0.55 1.20 0.00 0.00 173.24 174.67 1wha s SER 3 N 2.00 6.12 0.00 5.45 0.15 -1.26 -4.65 113.70 121.51 1wha s SER 3 Ca 0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wha s SER 3 Cb -0.24 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1wha s SER 3 CO -0.03 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 173.22 1wha n GLY 4 N 5.33 -1.63 3.95 9.45 0.00 -1.26 -5.00 105.19 116.02 1wha n GLY 4 Ca 0.08 0.72 -0.24 0.00 0.00 0.00 0.00 46.02 46.57 1wha n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha s SER 5 N 0.00 4.93 0.40 1.61 0.01 -1.22 -4.86 113.70 114.58 1wha s SER 5 Ca 0.00 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1wha s SER 5 Cb 0.00 -0.96 -0.05 0.00 0.21 0.00 0.00 66.02 65.22 1wha s SER 5 CO 0.00 -1.47 0.05 -0.94 0.41 0.00 0.00 173.24 171.30 1wha s SER 6 N -4.50 3.17 -0.38 2.44 1.04 -1.26 -0.33 113.70 113.88 1wha s SER 6 Ca 0.60 -1.51 0.02 0.00 0.48 0.00 0.00 55.95 55.53 1wha s SER 6 Cb -0.10 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.27 1wha s SER 6 CO 0.43 -0.71 0.14 -0.83 0.98 0.00 0.00 173.24 173.24 1wha s GLY 7 N -3.65 1.64 -0.11 7.32 0.00 -0.01 -4.82 107.32 107.70 1wha s GLY 7 Ca 0.26 -2.35 -0.23 0.00 0.00 0.00 0.00 44.72 42.41 1wha s GLY 7 CO 0.13 1.32 0.68 0.50 0.00 0.00 0.00 173.10 175.73 1wha s ARG 8 N 0.87 4.37 0.37 2.90 0.52 -1.26 -3.33 118.95 123.39 1wha s ARG 8 Ca 0.13 0.81 0.05 0.00 -0.52 0.00 0.00 55.73 56.20 1wha s ARG 8 Cb -0.21 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 1wha s ARG 8 CO -0.11 -0.03 0.20 -1.01 0.02 0.00 0.00 175.30 174.37 1wha s HIS 9 N 1.13 1.75 -0.15 -0.53 3.76 -1.16 -4.99 115.29 115.10 1wha s HIS 9 Ca 0.35 -1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1wha s HIS 9 Cb -0.17 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.57 1wha s HIS 9 CO 0.15 -0.57 -0.13 0.54 -0.85 0.00 0.00 174.74 173.89 1wha s VAL 10 N -3.33 2.95 -0.35 -0.90 0.11 -1.26 -2.93 120.40 114.69 1wha s VAL 10 Ca 0.31 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 1wha s VAL 10 Cb 0.02 -2.26 0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1wha s VAL 10 CO 0.20 0.51 0.15 0.00 -3.33 0.00 0.00 175.10 172.63 1wha s ALA 11 N 0.66 3.17 -0.21 1.54 0.00 -1.01 -4.92 121.76 120.99 1wha s ALA 11 Ca -0.07 -1.68 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 1wha s ALA 11 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1wha s ALA 11 CO 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 175.76 174.47 1wha s LEU 13 N 1.20 1.58 -0.19 0.00 1.43 -1.25 -5.01 118.68 116.43 1wha s LEU 13 Ca 0.03 -0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 51.93 1wha s LEU 13 Cb -0.14 0.72 -0.01 0.00 0.03 0.00 0.00 46.19 46.79 1wha s LEU 13 CO 0.00 -0.76 0.87 0.00 0.23 0.00 0.00 176.35 176.69 1wha s ALA 14 N -3.96 3.56 0.70 4.21 0.00 -1.26 -3.82 121.76 121.20 1wha s ALA 14 Ca 0.14 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1wha s ALA 14 Cb 0.06 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1wha s ALA 14 CO -0.04 -0.77 0.99 2.89 0.00 0.00 0.00 175.76 178.84 1wha n ARG 15 N 5.55 0.61 -3.82 0.00 1.85 -1.16 -4.74 116.66 114.94 1wha n ARG 15 Ca 0.06 0.26 -0.11 0.00 -1.00 0.00 0.00 57.85 57.06 1wha n ARG 15 Cb 0.48 -2.24 -0.08 0.00 -1.05 0.00 0.00 32.46 29.57 1wha n ARG 15 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wha s SER 16 N -1.56 -0.01 0.59 2.89 0.15 -1.26 -4.85 113.70 109.65 1wha s SER 16 Ca 0.75 -0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.40 1wha s SER 16 Cb -0.36 0.30 1.73 0.00 -1.71 0.00 0.00 66.02 65.98 1wha s SER 16 CO 0.49 -0.55 2.15 -0.08 1.20 0.00 0.00 173.24 176.45 1wha h GLU 17 N 3.50 0.00 0.00 5.44 4.57 -2.00 0.20 114.58 126.29 1wha h GLU 17 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1wha h GLU 17 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1wha h GLU 17 CO 0.47 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.84 1wha n ARG 18 N -3.78 0.10 0.00 1.92 1.74 -1.26 -4.80 116.66 110.59 1wha n ARG 18 Ca 0.00 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1wha n ARG 18 Cb 0.25 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1wha n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wha n GLY 19 N -0.25 0.92 2.50 -0.13 0.00 0.57 -4.62 105.19 104.18 1wha n GLY 19 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.73 0.00 0.99 4.77 -0.46 -3.31 117.00 117.26 1wha n LEU 20 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1wha n LEU 20 Cb 0.00 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.19 1wha n LEU 20 CO 0.00 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.02 1wha n GLY 21 N -0.70 1.70 3.88 -0.72 0.00 -1.26 -4.75 105.19 103.34 1wha n GLY 21 Ca -0.23 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 3.26 0.50 1.61 -0.71 -1.21 -0.91 117.98 120.51 1wha s PHE 22 Ca 0.00 -0.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.88 1wha s PHE 22 Cb 0.00 -1.49 -0.01 0.00 -1.21 0.00 0.00 43.02 40.31 1wha s PHE 22 CO 0.00 0.50 0.16 -1.12 -1.34 0.00 0.00 175.22 173.42 1wha s SER 23 N -3.71 4.32 0.09 1.98 0.01 0.55 -4.84 113.70 112.10 1wha s SER 23 Ca 0.33 -1.41 0.05 0.00 1.31 0.00 0.00 55.95 56.23 1wha s SER 23 Cb -0.09 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 1wha s SER 23 CO 0.26 -0.86 -0.13 0.27 0.41 0.00 0.00 173.24 173.20 1wha s ILE 24 N -2.79 1.10 0.00 1.44 -4.36 -1.26 -3.10 121.20 112.23 1wha s ILE 24 Ca 0.23 -1.51 -0.13 0.00 -0.26 0.00 0.00 60.65 58.97 1wha s ILE 24 Cb 0.01 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.47 1wha s ILE 24 CO 0.13 -0.38 0.28 0.00 0.24 0.00 0.00 174.94 175.21 1wha s ALA 25 N -1.87 -0.68 0.00 2.27 0.00 0.77 -4.71 121.76 117.54 1wha s ALA 25 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1wha s ALA 25 Cb -0.06 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1wha s ALA 25 CO 0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1wha n GLY 26 N 1.15 2.87 3.16 0.00 0.00 -0.68 -0.26 105.19 111.42 1wha n GLY 26 Ca -0.21 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.57 3.77 -0.02 0.00 -0.89 -4.47 105.19 100.00 1wha n GLY 27 Ca 0.00 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.64 4.21 0.00 1.61 3.01 -1.26 -2.68 119.74 121.99 1wha s LYS 28 Ca 0.46 2.43 0.00 0.00 -1.01 0.00 0.00 55.97 57.86 1wha s LYS 28 Cb -0.18 -3.02 0.00 0.00 -1.01 0.00 0.00 37.83 33.63 1wha s LYS 28 CO 0.76 -0.41 0.00 0.41 0.51 0.00 0.00 175.35 176.62 1wha n GLY 29 N 0.83 2.95 1.99 -3.33 0.00 -1.26 -3.13 105.19 103.23 1wha n GLY 29 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 0.65 0.93 -4.72 1.61 7.64 -1.09 -5.06 113.62 113.58 1wha n SER 30 Ca 0.00 -1.71 -0.42 0.00 1.01 0.00 0.00 58.87 57.75 1wha n SER 30 Cb 0.00 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.06 3.74 -1.01 0.44 2.01 -1.26 -4.81 115.64 113.68 1wha s THR 31 Ca 0.32 1.31 -0.24 0.00 0.31 0.00 0.00 61.69 63.39 1wha s THR 31 Cb -0.02 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1wha s THR 31 CO 0.21 0.13 1.94 -2.16 -0.69 0.00 0.00 174.62 174.05 1wha s PRO 32 N 0.67 2.53 0.44 4.92 0.04 -1.26 -1.69 135.00 140.65 1wha s PRO 32 Ca 0.58 -0.63 0.39 0.00 0.04 0.00 0.00 61.00 61.38 1wha s PRO 32 Cb -0.32 -5.13 1.41 0.00 0.04 0.00 0.00 34.50 30.49 1wha s PRO 32 CO 0.32 -3.62 1.31 0.98 0.04 0.00 0.00 177.00 176.03 1wha n TYR 33 N 14.15 0.14 -4.09 0.56 4.19 -1.26 -3.69 117.16 127.16 1wha n TYR 33 Ca 0.42 0.15 -0.28 0.00 3.31 0.00 0.00 57.90 61.49 1wha n TYR 33 Cb 0.47 -0.56 -0.17 0.00 0.49 0.00 0.00 39.34 39.57 1wha n TYR 33 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1wha s ARG 34 N -4.65 1.93 -0.05 2.98 1.81 -1.26 -5.02 118.95 114.69 1wha s ARG 34 Ca -0.05 -0.43 -0.33 0.00 -1.72 0.00 0.00 55.73 53.21 1wha s ARG 34 Cb 0.23 -1.81 -0.11 0.00 -0.45 0.00 0.00 34.95 32.81 1wha s ARG 34 CO 0.73 -0.20 1.88 0.00 -0.68 0.00 0.00 175.30 177.04 1wha n ALA 35 N 4.68 1.08 -2.04 2.13 0.00 -1.24 -1.35 120.51 123.75 1wha n ALA 35 Ca -0.16 0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 1wha n ALA 35 Cb 0.50 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 4.38 0.42 3.03 0.00 0.00 -1.26 -5.06 105.19 106.70 1wha n GLY 36 Ca 0.22 -0.87 -0.12 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 -3.00 -0.05 -0.03 1.61 1.11 -0.46 -5.03 116.67 110.82 1wha s ASP 37 Ca 0.00 0.04 0.07 0.00 0.18 0.00 0.00 52.55 52.85 1wha s ASP 37 Cb -0.00 0.22 0.19 0.00 1.07 0.00 0.00 42.92 44.40 1wha s ASP 37 CO 0.00 -0.16 1.15 0.00 1.18 0.00 0.00 175.17 177.33 1wha n ALA 38 N 2.42 2.18 -1.00 5.23 0.00 -1.26 -4.67 120.51 123.41 1wha n ALA 38 Ca -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1wha n ALA 38 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.24 -1.03 3.21 0.00 0.00 -1.26 -4.37 105.19 101.51 1wha n GLY 39 Ca 0.08 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -0.28 0.19 -0.61 1.01 -1.26 -2.10 121.20 118.15 1wha s ILE 40 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1wha s ILE 40 Cb 0.00 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1wha s ILE 40 CO 0.00 0.06 -0.05 -0.36 0.00 0.00 0.00 174.94 174.59 1wha s PHE 41 N 1.92 1.43 -0.15 3.97 0.40 0.64 -0.08 117.98 126.12 1wha s PHE 41 Ca -0.06 -0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 55.14 1wha s PHE 41 Cb -0.10 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1wha s PHE 41 CO -0.12 0.02 1.29 0.08 0.70 0.00 0.00 175.22 177.20 1wha s VAL 42 N -3.37 4.22 -0.37 -0.44 1.01 -0.49 -0.16 120.40 120.79 1wha s VAL 42 Ca 0.23 1.48 0.22 0.00 0.00 0.00 0.00 61.98 63.91 1wha s VAL 42 Cb 0.04 -3.95 -0.28 0.00 0.00 0.00 0.00 36.38 32.19 1wha s VAL 42 CO 0.05 -0.12 0.67 -1.54 0.00 0.00 0.00 175.10 174.16 1wha n SER 43 N 6.52 0.37 -3.57 3.32 3.41 -1.18 -1.55 113.62 120.94 1wha n SER 43 Ca 0.14 -0.29 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 1wha n SER 43 Cb 0.45 1.55 -0.07 0.00 -0.26 0.00 0.00 64.21 65.88 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 -3.34 0.97 -0.02 4.33 6.06 -1.26 -4.95 118.95 120.75 1wha s ARG 44 Ca -0.02 0.18 0.01 0.00 -2.50 0.00 0.00 55.73 53.41 1wha s ARG 44 Cb 0.14 0.46 0.01 0.00 0.06 0.00 0.00 34.95 35.62 1wha s ARG 44 CO 0.88 -0.29 -0.04 0.42 -2.50 0.00 0.00 175.30 173.77 1wha s ILE 45 N -1.18 0.42 -0.56 4.11 1.01 -1.26 -0.33 121.20 123.41 1wha s ILE 45 Ca -0.11 -0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 1wha s ILE 45 Cb -0.01 -0.40 -0.07 0.00 0.01 0.00 0.00 42.46 41.99 1wha s ILE 45 CO 0.09 0.15 2.30 0.00 0.00 0.00 0.00 174.94 177.48 1wha s ALA 46 N 0.32 1.62 0.82 9.38 0.00 -0.09 -4.83 121.76 128.98 1wha s ALA 46 Ca -0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 1wha s ALA 46 Cb -0.07 -4.37 0.09 0.00 0.00 0.00 0.00 23.12 18.76 1wha s ALA 46 CO -0.00 -4.54 1.17 -2.00 0.00 0.00 0.00 175.76 170.39 1wha s GLU 47 N 8.09 1.64 0.00 0.00 2.12 -1.26 -2.06 118.70 127.23 1wha s GLU 47 Ca 0.91 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.84 1wha s GLU 47 Cb -0.15 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.44 1wha s GLU 47 CO 0.22 -2.18 0.00 0.41 -0.54 0.00 0.00 175.26 173.17 1wha n GLY 48 N 0.14 -0.41 0.00 -1.50 0.00 -1.26 -4.73 105.19 97.43 1wha n GLY 48 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.41 3.10 0.03 -0.02 0.00 -1.06 -4.95 105.19 101.88 1wha n GLY 49 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 0.22 -0.32 4.61 0.00 -1.26 -3.09 120.51 117.68 1wha n ALA 50 Ca 0.00 -0.28 0.21 0.00 0.00 0.00 0.00 53.44 53.37 1wha n ALA 50 Cb 0.00 0.01 0.43 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.55 1.76 0.13 0.00 0.00 -1.87 -0.39 119.26 117.36 1wha h ALA 51 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wha h ALA 51 Cb 0.25 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wha h ALA 51 CO 0.00 -0.55 -0.06 1.25 0.00 0.00 0.00 179.25 179.88 1wha h HIS 52 N 0.28 -0.16 -1.47 0.00 6.17 -1.62 -3.24 115.15 115.11 1wha h HIS 52 Ca 0.69 -0.00 0.48 0.00 0.71 0.00 0.00 60.37 62.24 1wha h HIS 52 Cb 1.53 0.05 -0.11 0.00 2.52 0.00 0.00 27.41 31.40 1wha h HIS 52 CO -0.09 -0.10 0.98 0.54 0.71 0.00 0.00 177.93 179.97 1wha n ARG 53 N -2.90 -0.02 -0.31 5.26 1.74 -0.94 -0.39 116.66 119.10 1wha n ARG 53 Ca -0.02 1.13 -0.04 0.00 -0.77 0.00 0.00 57.85 58.15 1wha n ARG 53 Cb 0.07 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wha h ALA 54 N 1.34 -0.06 0.00 7.54 0.00 -1.10 -3.45 119.26 123.52 1wha h ALA 54 Ca 0.85 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.96 1wha h ALA 54 Cb 2.94 0.99 0.00 0.00 0.00 0.00 0.00 17.79 21.72 1wha h ALA 54 CO -0.31 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 178.63 1wha n GLY 55 N -1.43 2.90 0.17 0.00 0.00 0.47 -4.75 105.19 102.56 1wha n GLY 55 Ca 0.06 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -3.41 2.61 1.03 -1.88 -3.44 112.91 107.83 1wha h THR 56 Ca 0.00 -0.82 -0.59 0.00 -0.01 0.00 0.00 66.41 64.99 1wha h THR 56 Cb 0.00 1.78 -0.09 0.00 -1.07 0.00 0.00 68.15 68.77 1wha h THR 56 CO 0.00 0.00 0.15 -0.76 -0.01 0.00 0.00 175.52 174.90 1wha s LEU 57 N -5.58 4.14 -0.10 0.00 1.43 -1.26 -5.04 118.68 112.27 1wha s LEU 57 Ca 0.08 0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1wha s LEU 57 Cb 0.08 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.43 1wha s LEU 57 CO 0.66 -0.29 0.24 -1.10 0.23 0.00 0.00 176.35 176.08 1wha s GLN 58 N 1.97 0.19 -0.64 1.70 -0.21 -1.26 -4.82 119.66 116.59 1wha s GLN 58 Ca 0.29 0.53 -0.37 0.00 0.02 0.00 0.00 55.36 55.84 1wha s GLN 58 Cb -0.16 -0.12 -0.18 0.00 1.00 0.00 0.00 33.01 33.55 1wha s GLN 58 CO 0.10 -0.17 2.36 0.28 -2.12 0.00 0.00 175.29 175.74 1wha n VAL 59 N 4.31 0.03 0.00 1.09 0.31 -1.26 -1.74 118.33 121.07 1wha n VAL 59 Ca -0.24 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1wha n VAL 59 Cb 0.53 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 6.90 1.91 3.75 2.92 0.00 -0.60 -4.94 105.19 115.13 1wha n GLY 60 Ca 0.55 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 3.28 -4.88 1.61 8.00 -0.71 -4.50 116.55 119.36 1wha n ASP 61 Ca 0.00 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.31 1wha n ASP 61 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 39.46 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 -2.34 3.76 -0.39 -1.24 3.52 -1.26 -1.40 118.95 119.60 1wha s ARG 62 Ca 0.60 0.18 -0.15 0.00 -0.13 0.00 0.00 55.73 56.23 1wha s ARG 62 Cb -0.47 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1wha s ARG 62 CO 0.59 0.44 0.29 0.08 -0.81 0.00 0.00 175.30 175.88 1wha s VAL 63 N -1.63 5.26 -0.11 7.11 1.01 0.89 -3.04 120.40 129.89 1wha s VAL 63 Ca 0.41 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 1wha s VAL 63 Cb -0.13 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.15 1wha s VAL 63 CO 0.21 -0.24 0.79 -0.07 0.00 0.00 0.00 175.10 175.79 1wha h LEU 64 N 8.60 -0.01 -7.90 3.92 3.38 -1.37 -3.36 115.31 118.57 1wha h LEU 64 Ca -0.28 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 56.75 1wha h LEU 64 Cb 1.13 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.70 1wha h LEU 64 CO 0.71 0.85 -0.53 -0.94 0.09 0.00 0.00 178.44 178.62 1wha s SER 65 N -6.05 0.18 -0.29 -0.43 1.04 -1.24 -0.14 113.70 106.77 1wha s SER 65 Ca -0.17 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1wha s SER 65 Cb -0.02 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.42 1wha s SER 65 CO 0.62 -0.50 0.07 -0.63 0.98 0.00 0.00 173.24 173.79 1wha s ILE 66 N -2.56 0.99 -0.47 -1.02 1.01 -0.57 -0.71 121.20 117.88 1wha s ILE 66 Ca -0.05 -1.35 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 1wha s ILE 66 Cb -0.01 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1wha s ILE 66 CO -0.04 -0.56 0.34 -3.20 0.00 0.00 0.00 174.94 171.47 1wha n ASN 67 N 4.81 -3.34 -0.66 3.58 2.85 0.35 -3.46 115.26 119.40 1wha n ASN 67 Ca -0.03 -0.15 -0.05 0.00 -0.11 0.00 0.00 54.58 54.24 1wha n ASN 67 Cb 0.43 -1.99 0.00 0.00 1.24 0.00 0.00 39.78 39.46 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 -1.00 0.29 2.82 8.20 0.00 -1.26 -5.02 105.19 109.22 1wha n GLY 68 Ca -0.01 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.42 0.84 -0.29 1.61 1.01 -1.22 -5.09 120.40 114.84 1wha s VAL 69 Ca 0.03 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 1wha s VAL 69 Cb -0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 1wha s VAL 69 CO 0.04 0.00 2.27 -0.67 0.00 0.00 0.00 175.10 176.74 1wha n ASP 70 N 4.95 2.96 -0.23 3.32 2.03 -1.26 -1.50 116.55 126.82 1wha n ASP 70 Ca -0.10 0.05 0.10 0.00 0.52 0.00 0.00 54.79 55.35 1wha n ASP 70 Cb 0.47 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.49 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 7.79 1.96 -0.22 5.18 0.24 0.80 -4.71 118.33 129.37 1wha n VAL 71 Ca 0.33 -2.18 -0.02 0.00 -2.04 0.00 0.00 64.34 60.42 1wha n VAL 71 Cb 0.45 -0.23 0.04 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.35 0.24 -0.03 3.34 1.35 -1.37 -2.25 112.91 114.54 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 1.08 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1wha h THR 72 CO 0.04 0.00 -0.15 -0.62 -0.25 0.00 0.00 175.52 174.54 1wha n GLU 73 N -5.45 1.51 -2.48 4.72 1.02 -1.26 -4.31 120.64 114.38 1wha n GLU 73 Ca 0.07 -2.84 -0.39 0.00 -0.02 0.00 0.00 57.16 53.98 1wha n GLU 73 Cb 0.36 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 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 -3.00 3.25 0.98 0.62 0.00 -0.85 -4.96 121.76 117.81 1wha s ALA 74 Ca 0.35 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1wha s ALA 74 Cb 0.32 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 20.25 1wha s ALA 74 CO 0.00 -0.22 0.79 0.54 0.00 0.00 0.00 175.76 176.87 1wha n ARG 75 N 0.57 -0.78 0.30 0.00 1.74 -1.26 -4.53 116.66 112.69 1wha n ARG 75 Ca 0.02 -0.18 -0.17 0.00 -0.77 0.00 0.00 57.85 56.75 1wha n ARG 75 Cb 0.47 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.46 29.70 1wha n ARG 75 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wha h HIS 76 N -1.92 -1.23 -0.81 -1.55 -0.00 -1.75 -1.22 115.15 106.67 1wha h HIS 76 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.94 1wha h HIS 76 Cb 1.29 0.47 -0.05 0.00 -0.00 0.00 0.00 27.41 29.12 1wha h HIS 76 CO 0.40 -0.62 0.52 -0.44 -0.00 0.00 0.00 177.93 177.80 1wha h ASP 77 N -0.95 0.86 -0.25 3.26 3.32 -1.92 -0.81 116.42 119.93 1wha h ASP 77 Ca -0.07 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1wha h ASP 77 Cb 0.81 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.09 1wha h ASP 77 CO -0.01 0.60 -0.25 -0.74 -1.72 0.00 0.00 179.24 177.11 1wha h HIS 78 N 1.02 -0.67 -0.34 4.55 2.76 -1.85 0.58 115.15 121.19 1wha h HIS 78 Ca 0.32 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 1wha h HIS 78 Cb 0.00 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1wha h HIS 78 CO -0.03 -0.33 0.02 0.00 -1.30 0.00 0.00 177.93 176.30 1wha h ALA 79 N 0.78 0.46 -0.58 5.26 0.00 -0.92 -2.80 119.26 121.46 1wha h ALA 79 Ca 0.14 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1wha h ALA 79 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wha h ALA 79 CO -0.40 0.20 0.40 0.28 0.00 0.00 0.00 179.25 179.73 1wha h VAL 80 N 0.41 0.80 -0.93 0.00 2.07 -0.54 -0.80 116.25 117.26 1wha h VAL 80 Ca 0.10 -0.07 0.27 0.00 0.82 0.00 0.00 66.70 67.82 1wha h VAL 80 Cb 0.41 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1wha h VAL 80 CO 0.01 0.04 0.81 -1.28 0.02 0.00 0.00 177.57 177.17 1wha h SER 81 N 0.21 0.00 0.46 0.57 0.87 -0.62 0.97 113.55 116.02 1wha h SER 81 Ca 0.28 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.67 1wha h SER 81 Cb 0.81 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 1wha h SER 81 CO -0.05 0.00 -1.68 0.18 -0.53 0.00 0.00 176.83 174.75 1wha n LEU 82 N -3.84 0.55 -0.04 2.23 4.77 -0.31 -3.68 117.00 116.68 1wha n LEU 82 Ca 0.20 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1wha n LEU 82 Cb 1.12 0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 42.27 1wha n LEU 82 CO 0.33 0.17 0.27 -0.07 -1.33 0.00 0.00 177.39 176.76 1wha h LEU 83 N 0.00 -0.04 -1.34 2.23 3.38 0.75 -3.27 115.31 117.03 1wha h LEU 83 Ca -0.20 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1wha h LEU 83 Cb 1.58 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1wha h LEU 83 CO 0.03 0.71 0.00 0.71 0.09 0.00 0.00 178.44 179.98 1wha h THR 84 N -0.97 0.00 -2.09 0.22 1.35 -0.59 -3.45 112.91 107.39 1wha h THR 84 Ca -0.00 -0.11 -0.53 0.00 -0.55 0.00 0.00 66.41 65.21 1wha h THR 84 Cb 0.58 0.75 0.24 0.00 -1.73 0.00 0.00 68.15 67.99 1wha h THR 84 CO 0.01 0.00 -1.76 0.00 -0.25 0.00 0.00 175.52 173.52 1wha n ALA 85 N -1.82 -5.05 -2.81 6.62 0.00 -1.24 -4.83 120.51 111.38 1wha n ALA 85 Ca -0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 1wha n ALA 85 Cb 0.12 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.89 5.17 -3.28 0.00 0.00 -1.26 -4.95 120.51 113.29 1wha n ALA 86 Ca -0.01 -4.63 -0.17 0.00 0.00 0.00 0.00 53.44 48.63 1wha n ALA 86 Cb 0.59 -2.57 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 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 -0.68 0.62 0.27 0.00 0.01 -1.26 -5.04 113.70 107.63 1wha s SER 87 Ca 0.34 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.57 1wha s SER 87 Cb 0.05 -0.22 0.37 0.00 0.21 0.00 0.00 66.02 66.44 1wha s SER 87 CO 0.06 -0.02 1.65 1.55 0.41 0.00 0.00 173.24 176.90 1wha h PRO 88 N 6.69 0.29 -5.32 12.44 0.13 -1.94 -3.40 132.00 140.89 1wha h PRO 88 Ca -0.35 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 1wha h PRO 88 Cb 1.16 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.99 1wha h PRO 88 CO 0.49 0.69 -0.83 0.95 -0.23 0.00 0.00 178.00 179.06 1wha s THR 89 N -4.07 2.45 -0.05 1.56 -4.23 -1.26 -3.01 115.64 107.03 1wha s THR 89 Ca -0.05 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1wha s THR 89 Cb 0.13 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 72.01 1wha s THR 89 CO 0.79 0.54 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.74 1wha s ILE 90 N 0.38 0.53 -0.20 2.99 1.01 -1.25 -5.04 121.20 119.62 1wha s ILE 90 Ca -0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 1wha s ILE 90 Cb -0.17 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 1wha s ILE 90 CO 0.07 0.23 0.14 0.00 0.00 0.00 0.00 174.94 175.38 1wha s ALA 91 N 0.99 3.68 0.19 9.38 0.00 -1.26 -3.93 121.76 130.81 1wha s ALA 91 Ca -0.10 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.26 1wha s ALA 91 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1wha s ALA 91 CO -0.00 0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 175.19 1wha s LEU 92 N 0.44 2.49 -0.28 0.00 1.43 -1.18 0.13 118.68 121.70 1wha s LEU 92 Ca 0.09 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1wha s LEU 92 Cb -0.11 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1wha s LEU 92 CO -0.01 -0.05 -0.04 -0.22 0.23 0.00 0.00 176.35 176.26 1wha s LEU 93 N -2.93 3.68 0.06 1.79 2.96 0.11 -2.40 118.68 121.96 1wha s LEU 93 Ca 0.19 -1.28 0.02 0.00 -0.22 0.00 0.00 54.13 52.84 1wha s LEU 93 Cb -0.05 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1wha s LEU 93 CO 0.08 -0.23 0.06 -0.76 -1.32 0.00 0.00 176.35 174.19 1wha s LEU 94 N 1.21 3.75 -0.18 -0.68 1.43 -1.15 -0.95 118.68 122.11 1wha s LEU 94 Ca -0.06 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1wha s LEU 94 Cb -0.20 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1wha s LEU 94 CO -0.03 0.20 -0.16 -0.70 0.23 0.00 0.00 176.35 175.90 1wha s GLU 95 N -2.17 3.13 -0.24 1.70 2.12 -1.17 -3.01 118.70 119.07 1wha s GLU 95 Ca 0.27 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 1wha s GLU 95 Cb -0.12 -2.65 0.03 0.00 0.26 0.00 0.00 34.13 31.65 1wha s GLU 95 CO 0.19 -0.12 -0.09 0.50 -0.54 0.00 0.00 175.26 175.20 1wha s ARG 96 N 1.13 2.81 -0.11 4.30 3.52 -1.21 -4.29 118.95 125.10 1wha s ARG 96 Ca 0.01 -0.99 -0.29 0.00 -0.13 0.00 0.00 55.73 54.33 1wha s ARG 96 Cb -0.14 -2.90 -0.06 0.00 -1.56 0.00 0.00 34.95 30.29 1wha s ARG 96 CO -0.06 -0.38 1.94 -1.21 -0.81 0.00 0.00 175.30 174.78 1wha s GLU 97 N 1.30 3.73 -0.73 5.12 2.02 -1.26 -0.83 118.70 128.05 1wha s GLU 97 Ca 0.00 2.17 -0.10 0.00 0.02 0.00 0.00 54.97 57.06 1wha s GLU 97 Cb -0.16 -4.19 0.19 0.00 0.10 0.00 0.00 34.13 30.07 1wha s GLU 97 CO -0.06 -1.40 0.62 0.00 0.02 0.00 0.00 175.26 174.43 1wha s ALA 98 N 5.85 3.85 0.04 5.21 0.00 0.55 -4.61 121.76 132.66 1wha s ALA 98 Ca 0.87 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 49.59 1wha s ALA 98 Cb -0.35 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1wha s ALA 98 CO 0.36 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.34 1wha n GLY 99 N 3.85 -1.02 3.67 0.00 0.00 -1.26 -3.37 105.19 107.07 1wha n GLY 99 Ca 0.10 0.39 -0.48 0.00 0.00 0.00 0.00 46.02 46.02 1wha n GLY 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wha n SER 100 N -2.73 3.07 -3.66 1.61 3.41 -1.26 -4.94 113.62 109.12 1wha n SER 100 Ca 0.00 1.04 -0.28 0.00 -0.26 0.00 0.00 58.87 59.37 1wha n SER 100 Cb 0.00 -1.36 -0.12 0.00 -0.26 0.00 0.00 64.21 62.47 1wha n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 101 N 2.40 1.84 0.00 5.00 0.00 -1.26 -4.94 107.32 110.37 1wha s GLY 101 Ca 0.87 -2.86 0.15 0.00 0.00 0.00 0.00 44.72 42.88 1wha s GLY 101 CO 0.46 1.61 1.37 -1.55 0.00 0.00 0.00 173.10 175.00 1wha n PRO 102 N 2.93 0.37 -0.91 2.90 -0.04 -1.26 -4.86 135.00 134.14 1wha n PRO 102 Ca 0.18 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 1wha n PRO 102 Cb 0.39 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1wha n PRO 102 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wha n SER 103 N -1.12 -3.75 -3.82 3.54 3.41 -1.26 -5.01 113.62 105.61 1wha n SER 103 Ca 0.10 0.28 -0.16 0.00 -0.26 0.00 0.00 58.87 58.83 1wha n SER 103 Cb 0.08 -1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 62.86 1wha n SER 103 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wha s SER 104 N -1.55 0.30 0.00 4.04 0.15 -1.26 -5.29 113.70 110.09 1wha s SER 104 Ca 0.50 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.17 1wha s SER 104 Cb -0.21 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 63.97 1wha s SER 104 CO 0.74 -0.08 0.60 0.61 1.20 0.00 0.00 173.24 176.30