#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha h SER 2 N 0.00 0.28 -4.39 1.61 4.64 -2.10 -3.44 113.55 110.15 1wha h SER 2 Ca 0.00 -0.22 -0.46 0.00 -0.47 0.00 0.00 61.79 60.64 1wha h SER 2 Cb 0.00 -0.07 0.11 0.00 -0.31 0.00 0.00 62.40 62.13 1wha h SER 2 CO 0.00 0.43 0.39 -0.44 -0.87 0.00 0.00 176.83 176.34 1wha s SER 3 N -5.68 4.28 0.00 4.97 0.01 -1.26 -5.07 113.70 110.95 1wha s SER 3 Ca -0.14 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1wha s SER 3 Cb 0.07 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1wha s SER 3 CO 0.71 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1wha n GLY 4 N -3.35 0.51 0.12 3.44 0.00 -1.26 -5.05 105.19 99.60 1wha n GLY 4 Ca 0.09 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1wha n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wha n SER 5 N -0.01 1.98 -4.42 1.61 2.88 -1.26 -4.96 113.62 109.44 1wha n SER 5 Ca 0.00 0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 57.54 1wha n SER 5 Cb 0.00 -0.91 0.18 0.00 -0.75 0.00 0.00 64.21 62.74 1wha n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wha n SER 6 N -4.00 -1.74 -3.58 -3.46 3.41 -1.26 -4.37 113.62 98.62 1wha n SER 6 Ca -0.34 0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.04 1wha n SER 6 Cb 0.85 -1.18 -0.15 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.15 0.60 0.68 5.00 0.00 0.18 -4.92 107.32 106.70 1wha s GLY 7 Ca 0.61 -1.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 1wha s GLY 7 CO 0.65 1.97 1.06 0.50 0.00 0.00 0.00 173.10 177.28 1wha s ARG 8 N 2.01 3.11 0.35 2.90 0.52 -1.26 -2.98 118.95 123.59 1wha s ARG 8 Ca 0.09 0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1wha s ARG 8 Cb -0.16 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.34 1wha s ARG 8 CO -0.34 -0.91 0.84 -3.38 0.02 0.00 0.00 175.30 171.53 1wha s HIS 9 N -3.21 0.12 0.15 -0.53 -3.43 -1.10 -4.97 115.29 102.32 1wha s HIS 9 Ca 0.57 -0.75 0.11 0.00 -0.80 0.00 0.00 55.06 54.19 1wha s HIS 9 Cb -0.12 0.82 -0.04 0.00 -1.43 0.00 0.00 32.58 31.81 1wha s HIS 9 CO 0.54 -1.46 -0.24 0.54 -2.00 0.00 0.00 174.74 172.12 1wha s VAL 10 N -2.24 2.42 -0.14 -5.38 0.11 -1.26 -2.74 120.40 111.16 1wha s VAL 10 Ca 0.17 -1.81 -0.04 0.00 -2.93 0.00 0.00 61.98 57.37 1wha s VAL 10 Cb -0.05 -2.11 0.06 0.00 -1.53 0.00 0.00 36.38 32.75 1wha s VAL 10 CO 0.10 0.01 0.15 0.00 -3.33 0.00 0.00 175.10 172.04 1wha s ALA 11 N -1.30 -0.01 -0.18 1.54 0.00 -0.92 -4.97 121.76 115.91 1wha s ALA 11 Ca 0.17 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 1wha s ALA 11 Cb -0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1wha s ALA 11 CO 0.08 -0.90 0.13 0.00 0.00 0.00 0.00 175.76 175.08 1wha s LEU 13 N -0.03 1.17 -0.12 0.00 1.43 -1.22 -5.00 118.68 114.90 1wha s LEU 13 Ca 0.10 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 51.66 1wha s LEU 13 Cb -0.11 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.50 1wha s LEU 13 CO -0.00 -0.84 0.51 0.00 0.23 0.00 0.00 176.35 176.24 1wha s ALA 14 N -4.14 3.46 0.20 4.21 0.00 -1.26 -3.33 121.76 120.90 1wha s ALA 14 Ca 0.37 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1wha s ALA 14 Cb 0.07 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 1wha s ALA 14 CO 0.11 -0.05 1.47 0.50 0.00 0.00 0.00 175.76 177.79 1wha s ARG 15 N 0.74 4.26 0.04 0.00 3.52 -0.56 -4.55 118.95 122.40 1wha s ARG 15 Ca 0.27 2.28 0.04 0.00 -0.13 0.00 0.00 55.73 58.19 1wha s ARG 15 Cb -0.15 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1wha s ARG 15 CO 0.11 -0.48 -0.11 -1.12 -0.81 0.00 0.00 175.30 172.89 1wha s SER 16 N 0.72 1.33 0.57 -2.12 0.01 -1.26 -4.86 113.70 108.10 1wha s SER 16 Ca 0.64 -0.48 0.32 0.00 1.31 0.00 0.00 55.95 57.74 1wha s SER 16 Cb -0.42 -0.05 1.76 0.00 0.21 0.00 0.00 66.02 67.53 1wha s SER 16 CO 0.37 -0.06 1.98 1.05 0.41 0.00 0.00 173.24 177.00 1wha h GLU 17 N 4.77 0.00 0.00 12.44 4.11 -2.00 0.34 114.58 134.24 1wha h GLU 17 Ca -0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 1wha h GLU 17 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1wha h GLU 17 CO 0.43 0.00 -0.17 0.00 0.07 0.00 0.00 179.01 179.34 1wha h ARG 18 N 0.00 0.00 0.00 1.06 3.08 -1.98 -3.47 114.38 113.07 1wha h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wha h ARG 18 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wha h ARG 18 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1wha n GLY 19 N 1.12 0.99 2.43 0.04 0.00 0.12 -4.70 105.19 105.20 1wha n GLY 19 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.78 0.00 0.99 4.77 -1.07 -3.34 117.00 116.58 1wha n LEU 20 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1wha n LEU 20 Cb 0.00 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 1wha n LEU 20 CO 0.00 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1wha n GLY 21 N -0.89 1.58 3.91 -0.72 0.00 -1.26 -4.52 105.19 103.28 1wha n GLY 21 Ca -0.23 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 3.49 0.33 1.61 -0.71 -1.21 -2.73 117.98 118.76 1wha s PHE 22 Ca 0.00 0.65 0.09 0.00 -1.04 0.00 0.00 56.93 56.63 1wha s PHE 22 Cb 0.00 -2.12 -0.05 0.00 -1.21 0.00 0.00 43.02 39.64 1wha s PHE 22 CO 0.00 0.10 0.06 -1.12 -1.34 0.00 0.00 175.22 172.92 1wha s SER 23 N -3.35 4.40 0.28 1.98 0.01 0.88 -4.76 113.70 113.14 1wha s SER 23 Ca 0.44 -0.87 0.11 0.00 1.31 0.00 0.00 55.95 56.94 1wha s SER 23 Cb -0.10 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 1wha s SER 23 CO 0.32 -0.23 -0.14 0.27 0.41 0.00 0.00 173.24 173.87 1wha s ILE 24 N -2.46 2.76 0.04 1.44 -4.36 -1.26 -1.84 121.20 115.52 1wha s ILE 24 Ca 0.35 -2.25 -0.07 0.00 -0.26 0.00 0.00 60.65 58.42 1wha s ILE 24 Cb -0.02 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1wha s ILE 24 CO 0.21 -0.39 0.13 0.00 0.24 0.00 0.00 174.94 175.13 1wha s ALA 25 N -2.46 -0.17 0.00 2.27 0.00 0.39 -4.63 121.76 117.16 1wha s ALA 25 Ca 0.31 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1wha s ALA 25 Cb -0.05 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1wha s ALA 25 CO 0.17 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1wha n GLY 26 N 0.67 1.16 7.00 0.00 0.00 -0.64 -1.28 105.19 112.10 1wha n GLY 26 Ca -0.19 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.12 0.01 -0.02 0.00 0.19 -3.20 105.19 102.04 1wha n GLY 27 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.58 1wha n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wha n LYS 28 N -0.65 0.66 -0.76 1.61 4.76 -1.26 -4.37 118.16 118.14 1wha n LYS 28 Ca 0.00 -0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.30 1wha n LYS 28 Cb 0.00 -1.42 0.26 0.00 -1.84 0.00 0.00 35.03 32.03 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wha n GLY 29 N 1.44 4.14 2.82 0.72 0.00 -1.26 -4.92 105.19 108.13 1wha n GLY 29 Ca -0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1wha n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wha n SER 30 N -0.56 -1.11 -4.76 1.61 2.88 -1.19 -4.95 113.62 105.55 1wha n SER 30 Ca 0.32 -2.61 -0.41 0.00 -1.33 0.00 0.00 58.87 54.85 1wha n SER 30 Cb 1.13 2.09 -0.03 0.00 -0.75 0.00 0.00 64.21 66.65 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1wha s THR 31 N -2.78 2.91 -1.07 2.46 2.01 -1.25 -4.76 115.64 113.15 1wha s THR 31 Ca 0.25 0.84 -0.23 0.00 0.31 0.00 0.00 61.69 62.86 1wha s THR 31 Cb -0.01 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1wha s THR 31 CO 0.18 0.17 1.94 -2.16 -0.69 0.00 0.00 174.62 174.06 1wha s PRO 32 N -1.15 2.52 0.51 4.92 0.04 -1.26 -1.62 135.00 138.96 1wha s PRO 32 Ca 0.52 -0.82 0.46 0.00 0.04 0.00 0.00 61.00 61.20 1wha s PRO 32 Cb -0.38 -5.17 1.59 0.00 0.04 0.00 0.00 34.50 30.57 1wha s PRO 32 CO 0.47 -3.75 1.43 0.98 0.04 0.00 0.00 177.00 176.17 1wha n TYR 33 N 14.23 0.00 -3.90 0.56 9.36 -1.26 -3.70 117.16 132.45 1wha n TYR 33 Ca 0.43 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.38 1wha n TYR 33 Cb 0.47 -0.45 -0.17 0.00 -0.63 0.00 0.00 39.34 38.55 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 -4.69 1.50 -0.24 2.98 1.81 -1.26 -5.04 118.95 114.00 1wha s ARG 34 Ca -0.05 -0.26 -0.32 0.00 -1.72 0.00 0.00 55.73 53.38 1wha s ARG 34 Cb 0.25 -1.60 -0.09 0.00 -0.45 0.00 0.00 34.95 33.06 1wha s ARG 34 CO 0.82 -0.28 2.15 0.00 -0.68 0.00 0.00 175.30 177.31 1wha n ALA 35 N 4.95 1.37 -0.41 2.13 0.00 -1.24 -0.77 120.51 126.53 1wha n ALA 35 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1wha n ALA 35 Cb 0.50 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 5.84 0.97 3.01 0.00 0.00 -1.26 -5.08 105.19 108.66 1wha n GLY 36 Ca 0.33 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.33 -0.16 -0.23 1.61 1.01 0.05 -5.03 116.67 111.59 1wha s ASP 37 Ca 0.00 0.33 0.14 0.00 0.71 0.00 0.00 52.55 53.73 1wha s ASP 37 Cb 0.00 0.29 0.54 0.00 1.01 0.00 0.00 42.92 44.76 1wha s ASP 37 CO 0.00 -0.09 1.47 0.00 0.21 0.00 0.00 175.17 176.76 1wha n ALA 38 N 3.44 3.54 -1.00 5.23 0.00 -1.26 -4.47 120.51 125.98 1wha n ALA 38 Ca -0.17 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1wha n ALA 38 Cb 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.69 0.63 3.12 0.00 0.00 -1.26 -3.99 105.19 102.99 1wha n GLY 39 Ca 0.27 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.22 0.11 -0.61 1.01 -1.26 0.52 121.20 120.75 1wha s ILE 40 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1wha s ILE 40 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1wha s ILE 40 CO 0.00 0.07 -0.11 -0.36 0.00 0.00 0.00 174.94 174.55 1wha s PHE 41 N 1.80 1.17 0.06 3.97 0.40 -0.40 -0.15 117.98 124.84 1wha s PHE 41 Ca -0.05 -0.66 -0.31 0.00 -0.60 0.00 0.00 56.93 55.31 1wha s PHE 41 Cb -0.11 -0.62 -0.08 0.00 0.51 0.00 0.00 43.02 42.72 1wha s PHE 41 CO -0.10 0.04 1.63 0.08 0.70 0.00 0.00 175.22 177.58 1wha s VAL 42 N -2.61 3.08 -0.19 -0.44 1.01 -0.58 -0.46 120.40 120.21 1wha s VAL 42 Ca 0.09 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1wha s VAL 42 Cb -0.02 -3.34 -0.22 0.00 0.00 0.00 0.00 36.38 32.80 1wha s VAL 42 CO 0.01 -0.00 0.08 -1.54 0.00 0.00 0.00 175.10 173.64 1wha n SER 43 N 5.57 1.40 -3.81 3.32 3.41 -0.77 -1.90 113.62 120.85 1wha n SER 43 Ca 0.16 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1wha n SER 43 Cb 0.41 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.78 -0.01 4.33 6.06 -1.24 -4.94 118.95 121.39 1wha s ARG 44 Ca -0.23 -0.67 0.02 0.00 -2.50 0.00 0.00 55.73 52.35 1wha s ARG 44 Cb 0.08 0.33 0.00 0.00 0.06 0.00 0.00 34.95 35.41 1wha s ARG 44 CO 0.72 -0.24 -0.05 0.42 -2.50 0.00 0.00 175.30 173.65 1wha s ILE 45 N -2.91 0.43 -0.34 4.11 1.01 -1.26 -0.08 121.20 122.16 1wha s ILE 45 Ca -0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1wha s ILE 45 Cb 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1wha s ILE 45 CO -0.06 0.14 1.36 0.00 0.00 0.00 0.00 174.94 176.38 1wha s ALA 46 N 0.11 3.23 0.21 9.38 0.00 -1.10 -4.89 121.76 128.69 1wha s ALA 46 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 1wha s ALA 46 Cb -0.05 -3.85 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 1wha s ALA 46 CO -0.00 -2.04 1.15 -2.00 0.00 0.00 0.00 175.76 172.86 1wha s GLU 47 N 4.51 4.56 0.00 0.00 -6.30 -1.26 -2.81 118.70 117.39 1wha s GLU 47 Ca 0.59 1.82 0.00 0.00 -2.50 0.00 0.00 54.97 54.88 1wha s GLU 47 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 34.13 30.74 1wha s GLU 47 CO 0.27 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1wha n GLY 48 N 1.84 2.33 0.00 -1.50 0.00 -1.26 -4.98 105.19 101.62 1wha n GLY 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 1.29 0.15 -0.02 0.00 -1.12 -4.80 105.19 98.68 1wha n GLY 49 Ca 0.00 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.44 0.05 -0.18 4.61 0.00 -1.91 -2.33 119.26 118.05 1wha h ALA 50 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 54.91 53.90 1wha h ALA 50 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1wha h ALA 50 CO 0.00 0.92 -0.08 0.00 0.00 0.00 0.00 179.25 180.09 1wha h ALA 51 N 0.12 0.08 0.20 0.00 0.00 -1.79 -1.27 119.26 116.60 1wha h ALA 51 Ca -0.32 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1wha h ALA 51 Cb 2.13 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1wha h ALA 51 CO 0.21 -0.51 -0.10 1.25 0.00 0.00 0.00 179.25 180.11 1wha h HIS 52 N -0.05 -0.25 -0.88 0.00 6.17 -1.69 -3.32 115.15 115.13 1wha h HIS 52 Ca 0.10 -0.01 0.28 0.00 0.71 0.00 0.00 60.37 61.45 1wha h HIS 52 Cb 0.20 0.08 -0.16 0.00 2.52 0.00 0.00 27.41 30.05 1wha h HIS 52 CO -0.23 -0.16 0.15 -2.13 0.71 0.00 0.00 177.93 176.27 1wha n ARG 53 N -4.89 -0.07 -0.16 5.26 0.63 -0.88 -1.10 116.66 115.46 1wha n ARG 53 Ca -0.03 1.29 -0.04 0.00 -0.92 0.00 0.00 57.85 58.14 1wha n ARG 53 Cb 0.11 -2.11 -0.04 0.00 0.45 0.00 0.00 32.46 30.86 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 -2.98 -0.24 0.00 5.13 0.00 -0.48 -4.85 120.51 117.09 1wha n ALA 54 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1wha n ALA 54 Cb 0.80 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.09 2.60 2.48 0.00 0.00 -0.26 -4.93 105.19 103.98 1wha n GLY 55 Ca 0.01 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1wha n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wha n THR 56 N 0.00 3.54 -3.65 2.61 5.66 -1.26 -4.88 114.28 116.31 1wha n THR 56 Ca 0.00 -3.43 -0.19 0.00 -3.05 0.00 0.00 64.05 57.38 1wha n THR 56 Cb 0.00 -1.18 -0.16 0.00 -1.55 0.00 0.00 70.33 67.43 1wha n THR 56 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wha s LEU 57 N -3.88 0.04 0.00 1.09 1.43 -1.26 -4.99 118.68 111.11 1wha s LEU 57 Ca 0.60 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1wha s LEU 57 Cb 0.48 0.09 -0.00 0.00 0.03 0.00 0.00 46.19 46.79 1wha s LEU 57 CO -0.13 -0.27 0.11 0.00 0.23 0.00 0.00 176.35 176.30 1wha s GLN 58 N 2.24 0.45 0.00 1.70 -2.07 -1.26 -4.78 119.66 115.93 1wha s GLN 58 Ca 0.04 -0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 1wha s GLN 58 Cb -0.13 0.18 -0.09 0.00 -1.09 0.00 0.00 33.01 31.89 1wha s GLN 58 CO -0.06 -0.10 2.01 0.28 -1.32 0.00 0.00 175.29 176.10 1wha n VAL 59 N 1.52 0.72 0.00 3.63 0.31 -1.26 -2.98 118.33 120.26 1wha n VAL 59 Ca -0.23 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1wha n VAL 59 Cb 0.56 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 4.71 3.99 3.51 2.92 0.00 -0.80 -4.96 105.19 114.56 1wha n GLY 60 Ca 0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.07 -4.87 1.61 9.92 -1.16 -4.36 116.55 117.61 1wha n ASP 61 Ca 0.00 0.98 -0.36 0.00 -0.53 0.00 0.00 54.79 54.88 1wha n ASP 61 Cb 0.00 -1.19 -0.06 0.00 -0.64 0.00 0.00 41.12 39.23 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 -1.69 3.58 -0.57 -1.24 3.52 -1.26 -1.53 118.95 119.76 1wha s ARG 62 Ca 0.63 -0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 56.04 1wha s ARG 62 Cb -0.61 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 29.70 1wha s ARG 62 CO 0.58 0.72 0.69 0.08 -0.81 0.00 0.00 175.30 176.56 1wha s VAL 63 N -1.12 4.83 -0.00 7.11 1.01 0.79 -2.97 120.40 130.05 1wha s VAL 63 Ca 0.20 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1wha s VAL 63 Cb -0.13 -4.44 -0.16 0.00 0.00 0.00 0.00 36.38 31.65 1wha s VAL 63 CO 0.10 -1.04 1.13 -0.07 0.00 0.00 0.00 175.10 175.21 1wha h LEU 64 N 9.92 -0.41 -9.43 3.92 3.38 -1.67 -3.39 115.31 117.62 1wha h LEU 64 Ca -0.29 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 56.99 1wha h LEU 64 Cb 1.09 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1wha h LEU 64 CO 1.06 -0.02 -0.56 -0.44 0.09 0.00 0.00 178.44 178.58 1wha s SER 65 N -5.01 2.83 -0.26 -0.43 0.01 -1.26 0.08 113.70 109.66 1wha s SER 65 Ca -0.14 -1.53 -0.01 0.00 1.31 0.00 0.00 55.95 55.58 1wha s SER 65 Cb 0.02 0.21 0.15 0.00 0.21 0.00 0.00 66.02 66.60 1wha s SER 65 CO 0.49 -0.76 0.40 -0.63 0.41 0.00 0.00 173.24 173.16 1wha s ILE 66 N -3.18 -0.64 -0.83 1.44 1.01 0.27 -2.97 121.20 116.30 1wha s ILE 66 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 1wha s ILE 66 Cb 0.05 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1wha s ILE 66 CO 0.14 -0.17 0.40 -3.20 0.00 0.00 0.00 174.94 172.10 1wha n ASN 67 N 5.36 -4.12 -1.06 3.58 2.85 -0.13 -3.47 115.26 118.27 1wha n ASN 67 Ca -0.02 -0.18 -0.03 0.00 -0.11 0.00 0.00 54.58 54.24 1wha n ASN 67 Cb 0.50 -2.94 0.01 0.00 1.24 0.00 0.00 39.78 38.59 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 -1.20 0.60 3.26 8.20 0.00 -1.26 -4.97 105.19 109.81 1wha n GLY 68 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.04 -0.28 -0.27 1.61 1.01 -1.23 -5.12 120.40 113.08 1wha s VAL 69 Ca 0.05 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1wha s VAL 69 Cb -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1wha s VAL 69 CO 0.09 0.05 1.77 -0.62 0.00 0.00 0.00 175.10 176.40 1wha s ASP 70 N 1.90 6.04 -0.19 3.32 -1.08 -1.26 -0.57 116.67 124.83 1wha s ASP 70 Ca -0.06 1.49 0.14 0.00 -0.52 0.00 0.00 52.55 53.60 1wha s ASP 70 Cb -0.10 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.23 1wha s ASP 70 CO -0.13 -1.56 1.24 1.33 0.52 0.00 0.00 175.17 176.58 1wha n VAL 71 N 7.06 2.16 -0.03 1.11 0.24 0.11 -4.74 118.33 124.25 1wha n VAL 71 Ca 0.22 -2.82 -0.09 0.00 -2.04 0.00 0.00 64.34 59.61 1wha n VAL 71 Cb 0.46 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.73 0.89 -0.36 3.34 1.35 -1.49 -2.81 112.91 114.57 1wha h THR 72 Ca 0.03 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wha h THR 72 Cb 1.10 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1wha h THR 72 CO 0.06 0.01 0.00 -0.62 -0.25 0.00 0.00 175.52 174.72 1wha n GLU 73 N -5.12 3.26 -2.17 4.72 1.02 -1.26 -4.18 120.64 116.93 1wha n GLU 73 Ca -0.03 -2.75 -0.33 0.00 -0.02 0.00 0.00 57.16 54.03 1wha n GLU 73 Cb 0.09 -1.80 -0.00 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.39 2.81 0.61 0.62 0.00 -1.06 -4.96 121.76 117.39 1wha s ALA 74 Ca 0.41 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1wha s ALA 74 Cb 0.31 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1wha s ALA 74 CO 0.13 -0.65 1.07 1.03 0.00 0.00 0.00 175.76 177.33 1wha s ARG 75 N -3.96 3.17 0.09 0.00 3.00 -1.26 -4.35 118.95 115.63 1wha s ARG 75 Ca 0.63 1.24 -0.28 0.00 0.00 0.00 0.00 55.73 57.33 1wha s ARG 75 Cb -0.15 -2.01 -0.11 0.00 0.00 0.00 0.00 34.95 32.68 1wha s ARG 75 CO 0.34 -0.94 1.45 1.25 0.00 0.00 0.00 175.30 177.40 1wha h HIS 76 N 0.29 -1.31 -0.85 -0.53 -0.00 -1.87 0.25 115.15 111.14 1wha h HIS 76 Ca -0.47 0.05 0.11 0.00 -0.00 0.00 0.00 60.37 60.06 1wha h HIS 76 Cb 1.23 0.58 -0.08 0.00 -0.00 0.00 0.00 27.41 29.14 1wha h HIS 76 CO 0.58 -0.46 0.48 -0.44 -0.00 0.00 0.00 177.93 178.09 1wha h ASP 77 N -0.51 0.68 0.01 3.26 3.32 -1.93 -0.75 116.42 120.50 1wha h ASP 77 Ca 0.02 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1wha h ASP 77 Cb 0.57 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1wha h ASP 77 CO -0.33 0.37 -0.08 -0.74 -1.72 0.00 0.00 179.24 176.74 1wha h HIS 78 N 0.78 -0.20 -0.92 4.55 2.76 -1.65 0.36 115.15 120.83 1wha h HIS 78 Ca 0.42 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1wha h HIS 78 Cb 0.43 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.43 1wha h HIS 78 CO -0.06 -0.13 0.60 0.00 -1.30 0.00 0.00 177.93 177.04 1wha h ALA 79 N 0.83 1.17 -0.71 5.26 0.00 0.12 -2.45 119.26 123.48 1wha h ALA 79 Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1wha h ALA 79 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1wha h ALA 79 CO -0.08 0.59 0.18 0.28 0.00 0.00 0.00 179.25 180.23 1wha h VAL 80 N 1.26 1.26 -0.59 0.00 2.07 -0.75 -2.51 116.25 116.99 1wha h VAL 80 Ca 0.34 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 67.08 1wha h VAL 80 Cb -0.12 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1wha h VAL 80 CO -0.07 0.37 0.84 -1.28 0.02 0.00 0.00 177.57 177.44 1wha h SER 81 N 1.06 0.00 0.31 0.57 0.87 -0.43 1.36 113.55 117.29 1wha h SER 81 Ca 0.22 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.49 1wha h SER 81 Cb 0.35 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1wha h SER 81 CO -0.00 0.00 -1.94 0.18 -0.53 0.00 0.00 176.83 174.54 1wha n LEU 82 N -3.27 0.49 -0.06 2.23 4.77 -0.95 -3.36 117.00 116.85 1wha n LEU 82 Ca 0.12 0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 1wha n LEU 82 Cb 1.04 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 42.33 1wha n LEU 82 CO 0.21 0.38 0.24 -0.07 -1.33 0.00 0.00 177.39 176.81 1wha h LEU 83 N 0.00 -0.01 0.00 2.23 3.38 0.16 -3.29 115.31 117.78 1wha h LEU 83 Ca -0.36 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1wha h LEU 83 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1wha h LEU 83 CO 0.05 0.78 0.00 0.35 0.09 0.00 0.00 178.44 179.71 1wha n THR 84 N -4.69 0.00 -0.75 0.22 -2.24 0.13 -4.90 114.28 102.05 1wha n THR 84 Ca -0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 1wha n THR 84 Cb 0.28 -0.17 0.14 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.66 -3.42 -1.44 6.98 0.00 -1.21 -4.79 120.51 115.96 1wha n ALA 85 Ca 0.07 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.21 1wha n ALA 85 Cb 0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.92 7.40 -2.88 0.00 0.00 -1.26 -4.85 120.51 115.00 1wha n ALA 86 Ca 0.04 -3.60 -0.12 0.00 0.00 0.00 0.00 53.44 49.76 1wha n ALA 86 Cb 0.58 -3.23 -0.14 0.00 0.00 0.00 0.00 19.45 16.66 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 1.80 -0.01 0.02 0.00 0.01 -1.26 -5.06 113.70 109.19 1wha s SER 87 Ca 0.67 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 1wha s SER 87 Cb 0.19 0.03 -0.17 0.00 0.21 0.00 0.00 66.02 66.28 1wha s SER 87 CO -0.07 -0.01 1.32 1.55 0.41 0.00 0.00 173.24 176.44 1wha h PRO 88 N 6.10 0.23 -5.76 12.44 0.13 -1.93 -3.40 132.00 139.81 1wha h PRO 88 Ca -0.24 -0.12 -0.67 0.00 -0.87 0.00 0.00 66.00 64.10 1wha h PRO 88 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1wha h PRO 88 CO 0.50 0.65 -0.53 0.95 -0.23 0.00 0.00 178.00 179.34 1wha s THR 89 N -4.28 5.05 0.02 1.56 -4.23 -1.26 -1.50 115.64 110.99 1wha s THR 89 Ca -0.15 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1wha s THR 89 Cb 0.04 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1wha s THR 89 CO 0.72 0.61 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.74 1wha s ILE 90 N -0.94 0.25 0.02 2.99 1.01 -1.21 -4.99 121.20 118.33 1wha s ILE 90 Ca 0.14 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1wha s ILE 90 Cb -0.12 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1wha s ILE 90 CO 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 174.94 174.65 1wha s ALA 91 N -1.15 3.41 0.01 9.38 0.00 -1.26 -3.45 121.76 128.70 1wha s ALA 91 Ca -0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1wha s ALA 91 Cb -0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1wha s ALA 91 CO -0.00 0.68 0.02 -0.51 0.00 0.00 0.00 175.76 175.95 1wha s LEU 92 N -1.86 2.03 -0.21 0.00 1.43 -1.16 -0.96 118.68 117.96 1wha s LEU 92 Ca 0.23 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1wha s LEU 92 Cb -0.12 0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.34 1wha s LEU 92 CO 0.14 -0.25 -0.14 -0.22 0.23 0.00 0.00 176.35 176.12 1wha s LEU 93 N -1.11 2.63 -0.16 1.79 0.20 -1.16 -2.17 118.68 118.71 1wha s LEU 93 Ca -0.12 -0.77 -0.03 0.00 0.69 0.00 0.00 54.13 53.90 1wha s LEU 93 Cb -0.07 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 1wha s LEU 93 CO -0.00 -0.06 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.20 1wha s LEU 94 N 1.30 3.17 -0.47 -0.68 1.43 -1.11 -1.84 118.68 120.47 1wha s LEU 94 Ca 0.02 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1wha s LEU 94 Cb -0.15 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.36 1wha s LEU 94 CO -0.09 0.15 0.52 -0.70 0.23 0.00 0.00 176.35 176.45 1wha s GLU 95 N 0.49 3.08 0.02 1.70 -6.30 -1.16 -2.70 118.70 113.84 1wha s GLU 95 Ca -0.04 -0.98 -0.15 0.00 -2.50 0.00 0.00 54.97 51.31 1wha s GLU 95 Cb -0.14 -4.07 -0.06 0.00 0.00 0.00 0.00 34.13 29.85 1wha s GLU 95 CO 0.03 -1.07 0.44 0.50 0.02 0.00 0.00 175.26 175.18 1wha s ARG 96 N 2.24 3.95 0.04 4.30 6.06 -1.16 -4.49 118.95 129.90 1wha s ARG 96 Ca 0.11 0.45 -0.10 0.00 -2.50 0.00 0.00 55.73 53.69 1wha s ARG 96 Cb -0.20 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.56 1wha s ARG 96 CO 0.11 0.67 0.37 -1.21 -2.50 0.00 0.00 175.30 172.73 1wha s GLU 97 N -1.18 3.74 -0.09 5.12 0.41 -1.26 -0.65 118.70 124.78 1wha s GLU 97 Ca 0.26 0.16 0.01 0.00 -0.41 0.00 0.00 54.97 54.99 1wha s GLU 97 Cb -0.17 -3.06 0.15 0.00 -1.78 0.00 0.00 34.13 29.27 1wha s GLU 97 CO 0.15 0.61 1.17 0.00 -0.49 0.00 0.00 175.26 176.70 1wha n ALA 98 N 1.16 3.14 0.00 5.21 0.00 -1.26 -4.69 120.51 124.07 1wha n ALA 98 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1wha n ALA 98 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.15 2.08 0.06 0.00 0.00 -1.26 -5.03 105.19 101.18 1wha n GLY 99 Ca 0.12 0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 1wha n GLY 99 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wha h SER 100 N 0.00 0.00 0.00 1.61 0.02 -2.03 -3.50 113.55 109.65 1wha h SER 100 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1wha h SER 100 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wha h SER 100 CO 0.00 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 1wha n GLY 101 N 1.72 0.70 0.00 -3.77 0.00 -1.26 -4.99 105.19 97.59 1wha n GLY 101 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.86 1wha n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wha n PRO 102 N 0.00 0.49 -1.41 1.61 -0.04 -1.26 -4.82 135.00 129.58 1wha n PRO 102 Ca 0.00 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.93 1wha n PRO 102 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 1wha n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wha n SER 103 N -0.86 1.81 0.23 3.54 2.88 -1.26 -4.84 113.62 115.13 1wha n SER 103 Ca 0.08 0.50 -0.16 0.00 -1.33 0.00 0.00 58.87 57.96 1wha n SER 103 Cb 0.04 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.24 1wha n SER 103 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wha h SER 104 N 11.43 -1.13 0.00 -3.46 0.02 -2.06 -3.56 113.55 114.79 1wha h SER 104 Ca -0.24 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1wha h SER 104 Cb 1.34 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1wha h SER 104 CO 1.03 -0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.78