#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 -0.32 0.32 1.61 0.01 -1.26 -5.16 113.70 108.90 2eeh s SER 2 Ca 0.00 0.62 -0.07 0.00 1.31 0.00 0.00 55.95 57.81 2eeh s SER 2 Cb 0.00 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.75 2eeh s SER 2 CO 0.00 -0.13 0.62 -0.55 0.41 0.00 0.00 173.24 173.59 2eeh s SER 3 N 0.63 6.48 0.32 2.44 0.15 -1.26 -5.10 113.70 117.36 2eeh s SER 3 Ca -0.04 0.86 0.03 0.00 0.70 0.00 0.00 55.95 57.50 2eeh s SER 3 Cb -0.05 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2eeh s SER 3 CO -0.04 -0.26 0.14 -0.83 1.20 0.00 0.00 173.24 173.45 2eeh s GLY 4 N -3.13 2.13 -0.28 9.45 0.00 -1.26 -5.16 107.32 109.07 2eeh s GLY 4 Ca 0.46 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.34 2eeh s GLY 4 CO 0.30 -1.65 0.67 -0.56 0.00 0.00 0.00 173.10 171.85 2eeh s SER 5 N -3.42 -0.99 0.04 1.64 0.01 -1.26 -5.17 113.70 104.56 2eeh s SER 5 Ca 0.34 1.51 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 2eeh s SER 5 Cb 0.05 1.65 0.04 0.00 0.21 0.00 0.00 66.02 67.97 2eeh s SER 5 CO 0.16 -0.23 0.45 -0.44 0.41 0.00 0.00 173.24 173.59 2eeh s SER 6 N 2.03 -0.34 -0.33 2.44 0.01 -1.26 -5.11 113.70 111.14 2eeh s SER 6 Ca -0.09 0.07 -0.41 0.00 1.31 0.00 0.00 55.95 56.83 2eeh s SER 6 Cb -0.07 0.45 -0.16 0.00 0.21 0.00 0.00 66.02 66.44 2eeh s SER 6 CO -0.19 -0.68 1.76 0.61 0.41 0.00 0.00 173.24 175.14 2eeh n GLY 7 N 0.48 0.70 3.06 3.44 0.00 -1.26 -4.93 105.19 106.68 2eeh n GLY 7 Ca -0.18 0.95 -0.09 0.00 0.00 0.00 0.00 46.02 46.70 2eeh n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 8 N 3.74 0.24 -0.64 1.61 0.15 -1.26 -5.07 113.70 112.47 2eeh s SER 8 Ca 1.01 -0.57 -0.40 0.00 0.70 0.00 0.00 55.95 56.68 2eeh s SER 8 Cb -1.15 0.18 -0.20 0.00 -1.71 0.00 0.00 66.02 63.14 2eeh s SER 8 CO 0.68 -0.44 2.30 0.47 1.20 0.00 0.00 173.24 177.45 2eeh n ASP 9 N 1.00 0.67 -4.84 5.45 9.92 -1.26 -4.86 116.55 122.64 2eeh n ASP 9 Ca -0.20 0.52 -0.31 0.00 -0.53 0.00 0.00 54.79 54.28 2eeh n ASP 9 Cb 0.57 -0.92 0.05 0.00 -0.64 0.00 0.00 41.12 40.18 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2eeh s ILE 10 N 6.92 3.92 -0.01 0.53 1.09 -0.87 -4.77 121.20 128.01 2eeh s ILE 10 Ca 1.24 0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 61.39 2eeh s ILE 10 Cb -1.41 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 36.50 2eeh s ILE 10 CO 0.60 -0.81 0.15 -0.63 -0.10 0.00 0.00 174.94 174.15 2eeh s ILE 11 N -3.14 5.22 -0.17 2.92 -1.09 -1.26 -2.66 121.20 121.02 2eeh s ILE 11 Ca 0.58 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.72 2eeh s ILE 11 Cb -0.13 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2eeh s ILE 11 CO 0.54 0.34 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.57 2eeh s HIS 12 N -1.28 3.06 -0.18 3.97 3.76 -0.88 -4.98 115.29 118.76 2eeh s HIS 12 Ca 0.26 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 2eeh s HIS 12 Cb -0.12 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 2eeh s HIS 12 CO 0.17 -0.06 0.22 -1.54 -0.85 0.00 0.00 174.74 172.69 2eeh s SER 13 N 0.52 6.33 -0.01 1.40 1.04 -1.26 -3.44 113.70 118.27 2eeh s SER 13 Ca -0.02 0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 2eeh s SER 13 Cb -0.14 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2eeh s SER 13 CO 0.02 0.12 0.20 0.54 0.98 0.00 0.00 173.24 175.11 2eeh s VAL 14 N 0.49 0.06 -0.30 5.02 0.11 -1.22 -4.99 120.40 119.57 2eeh s VAL 14 Ca 0.13 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2eeh s VAL 14 Cb -0.12 -0.47 0.09 0.00 -1.53 0.00 0.00 36.38 34.34 2eeh s VAL 14 CO 0.02 -0.29 0.05 -0.13 -3.33 0.00 0.00 175.10 171.41 2eeh s ARG 15 N -1.17 1.12 -0.20 1.54 0.52 -1.26 -3.06 118.95 116.45 2eeh s ARG 15 Ca -0.12 -1.25 -0.15 0.00 -0.52 0.00 0.00 55.73 53.69 2eeh s ARG 15 Cb -0.06 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 2eeh s ARG 15 CO 0.02 -0.87 0.36 0.08 0.02 0.00 0.00 175.30 174.91 2eeh s VAL 16 N 1.38 5.23 0.25 3.52 1.01 -1.13 -4.71 120.40 125.95 2eeh s VAL 16 Ca 0.06 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2eeh s VAL 16 Cb -0.18 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2eeh s VAL 16 CO -0.15 0.28 0.50 -0.70 0.00 0.00 0.00 175.10 175.03 2eeh s GLU 17 N 1.14 3.62 0.75 2.72 2.12 -1.26 -2.36 118.70 125.43 2eeh s GLU 17 Ca 0.18 -0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2eeh s GLU 17 Cb -0.14 -2.70 0.04 0.00 0.26 0.00 0.00 34.13 31.59 2eeh s GLU 17 CO 0.07 0.29 1.08 -1.59 -0.54 0.00 0.00 175.26 174.57 2eeh s LYS 18 N -3.35 2.43 0.02 4.30 -2.85 -1.26 -4.88 119.74 114.15 2eeh s LYS 18 Ca 0.43 1.01 -0.00 0.00 -1.00 0.00 0.00 55.97 56.40 2eeh s LYS 18 Cb -0.11 -1.93 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 2eeh s LYS 18 CO 0.28 -1.47 -0.02 -1.54 0.10 0.00 0.00 175.35 172.70 2eeh s SER 19 N -3.60 0.20 -1.19 0.03 1.04 -1.26 -5.07 113.70 103.85 2eeh s SER 19 Ca 0.60 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 2eeh s SER 19 Cb -0.16 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 2eeh s SER 19 CO 0.56 -0.27 1.81 -2.16 0.98 0.00 0.00 173.24 174.16 2eeh s PRO 20 N -1.28 3.23 0.38 4.02 0.04 -1.26 -3.88 135.00 136.25 2eeh s PRO 20 Ca -0.14 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.47 2eeh s PRO 20 Cb -0.09 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2eeh s PRO 20 CO -0.01 -3.04 0.00 0.00 0.04 0.00 0.00 177.00 173.99 2eeh n ALA 21 N 11.32 0.63 0.00 8.56 0.00 -1.26 -5.08 120.51 134.68 2eeh n ALA 21 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2eeh n ALA 21 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N -0.87 3.86 3.72 0.00 0.00 -1.25 -5.10 105.19 105.56 2eeh n GLY 22 Ca 0.00 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2eeh n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2eeh s ARG 23 N 0.00 4.43 0.66 1.61 3.52 -1.26 -4.93 118.95 122.98 2eeh s ARG 23 Ca 0.00 0.87 -0.17 0.00 -0.13 0.00 0.00 55.73 56.30 2eeh s ARG 23 Cb 0.00 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 2eeh s ARG 23 CO 0.00 0.11 0.63 1.28 -0.81 0.00 0.00 175.30 176.51 2eeh n LEU 24 N 3.62 1.51 0.10 -0.88 7.99 -1.26 -4.79 117.00 123.30 2eeh n LEU 24 Ca -0.02 0.67 0.08 0.00 -0.01 0.00 0.00 56.01 56.73 2eeh n LEU 24 Cb 0.51 -1.25 0.39 0.00 -0.11 0.00 0.00 43.42 42.97 2eeh n LEU 24 CO 0.47 -2.81 0.73 0.61 -1.51 0.00 0.00 177.39 174.88 2eeh n GLY 25 N 1.58 -0.80 3.35 -0.72 0.00 -1.26 -4.60 105.19 102.75 2eeh n GLY 25 Ca 0.11 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -3.34 1.88 -0.16 1.61 -0.71 -1.26 -0.41 117.98 115.59 2eeh s PHE 26 Ca -0.01 -0.46 -0.04 0.00 -1.04 0.00 0.00 56.93 55.38 2eeh s PHE 26 Cb 0.05 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.91 2eeh s PHE 26 CO 0.16 0.38 -0.03 0.45 -1.34 0.00 0.00 175.22 174.84 2eeh s SER 27 N -2.80 4.85 0.01 1.98 0.15 0.28 -4.95 113.70 113.22 2eeh s SER 27 Ca 0.18 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2eeh s SER 27 Cb -0.05 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 2eeh s SER 27 CO 0.07 0.16 -0.10 0.68 1.20 0.00 0.00 173.24 175.25 2eeh s VAL 28 N 0.42 3.37 0.30 4.45 -7.23 -1.26 0.26 120.40 120.70 2eeh s VAL 28 Ca -0.03 -0.88 0.10 0.00 -1.81 0.00 0.00 61.98 59.36 2eeh s VAL 28 Cb -0.14 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2eeh s VAL 28 CO 0.03 0.40 -0.06 0.00 -0.31 0.00 0.00 175.10 175.15 2eeh s ARG 29 N -1.36 2.02 0.00 4.82 1.70 0.16 -4.85 118.95 121.44 2eeh s ARG 29 Ca 0.16 -1.65 0.00 0.00 -0.47 0.00 0.00 55.73 53.77 2eeh s ARG 29 Cb -0.11 -1.95 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 2eeh s ARG 29 CO 0.06 0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 2eeh n GLY 30 N -0.83 0.91 4.08 3.88 0.00 -1.26 -3.24 105.19 108.73 2eeh n GLY 30 Ca -0.05 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 -0.76 3.65 -0.02 0.00 -1.26 -4.94 105.19 101.87 2eeh n GLY 31 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 32 N -3.64 4.02 0.25 1.61 1.04 -1.26 -4.84 113.70 110.88 2eeh s SER 32 Ca 0.45 -1.32 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 2eeh s SER 32 Cb -0.25 -0.37 0.35 0.00 0.10 0.00 0.00 66.02 65.84 2eeh s SER 32 CO 0.92 -0.49 1.56 -0.33 0.98 0.00 0.00 173.24 175.88 2eeh h GLU 33 N 1.67 -0.00 -0.89 4.02 5.08 -2.03 0.89 114.58 123.32 2eeh h GLU 33 Ca -0.44 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2eeh h GLU 33 Cb 1.25 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.33 2eeh h GLU 33 CO 0.78 -0.00 -0.11 0.45 -1.00 0.00 0.00 179.01 179.13 2eeh h HIS 34 N -0.00 -0.27 0.00 4.33 3.86 -2.00 -3.46 115.15 117.61 2eeh h HIS 34 Ca 0.41 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2eeh h HIS 34 Cb 0.66 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2eeh h HIS 34 CO -0.81 -0.37 0.00 0.41 0.86 0.00 0.00 177.93 178.03 2eeh n GLY 35 N -1.52 2.06 0.94 2.45 0.00 0.31 -5.09 105.19 104.34 2eeh n GLY 35 Ca 0.16 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2eeh n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 36 N 0.00 -0.46 0.00 0.99 4.77 -1.26 -4.11 117.00 116.93 2eeh n LEU 36 Ca 0.00 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2eeh n LEU 36 Cb 0.00 -3.05 0.00 0.00 -2.33 0.00 0.00 43.42 38.04 2eeh n LEU 36 CO 0.00 -2.26 0.00 0.61 -1.33 0.00 0.00 177.39 174.41 2eeh n GLY 37 N -2.97 0.67 3.28 -0.72 0.00 -1.25 -4.16 105.19 100.04 2eeh n GLY 37 Ca -0.00 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 1.03 3.69 -0.10 -0.61 -1.09 -1.21 -4.41 121.20 118.51 2eeh s ILE 38 Ca 0.00 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.35 2eeh s ILE 38 Cb 0.00 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 2eeh s ILE 38 CO 0.00 -0.08 0.03 -0.36 -1.23 0.00 0.00 174.94 173.30 2eeh s PHE 39 N 1.41 3.26 0.23 3.97 0.40 -1.20 0.08 117.98 126.13 2eeh s PHE 39 Ca -0.01 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 2eeh s PHE 39 Cb -0.19 -1.83 -0.09 0.00 0.51 0.00 0.00 43.02 41.42 2eeh s PHE 39 CO 0.02 0.52 0.99 0.08 0.70 0.00 0.00 175.22 177.52 2eeh s VAL 40 N -0.88 3.97 -0.01 -0.44 1.01 0.25 0.35 120.40 124.66 2eeh s VAL 40 Ca 0.13 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.05 2eeh s VAL 40 Cb -0.12 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2eeh s VAL 40 CO 0.03 0.44 -0.01 -0.24 0.00 0.00 0.00 175.10 175.32 2eeh n SER 41 N 1.60 4.13 -3.72 3.32 2.88 0.14 -3.17 113.62 118.81 2eeh n SER 41 Ca -0.01 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 2eeh n SER 41 Cb 0.47 0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2eeh s LYS 42 N -2.03 0.99 -0.16 -1.46 2.47 -1.03 -4.72 119.74 113.81 2eeh s LYS 42 Ca -0.01 -0.81 -0.04 0.00 -1.56 0.00 0.00 55.97 53.55 2eeh s LYS 42 Cb 0.00 0.42 0.06 0.00 -1.46 0.00 0.00 37.83 36.86 2eeh s LYS 42 CO 0.03 -0.37 0.11 0.08 0.16 0.00 0.00 175.35 175.37 2eeh s VAL 43 N -3.83 -0.13 0.15 4.02 1.01 -1.26 0.10 120.40 120.47 2eeh s VAL 43 Ca 0.04 -0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.63 2eeh s VAL 43 Cb 0.03 -0.52 -0.17 0.00 0.00 0.00 0.00 36.38 35.72 2eeh s VAL 43 CO -0.11 -0.20 0.99 1.21 0.00 0.00 0.00 175.10 176.98 2eeh n GLU 44 N 5.29 0.69 -1.78 2.72 2.13 0.45 -4.90 120.64 125.24 2eeh n GLU 44 Ca -0.06 0.24 -0.32 0.00 0.66 0.00 0.00 57.16 57.68 2eeh n GLU 44 Cb 0.49 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.62 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2eeh s GLU 45 N -0.54 3.00 -0.98 5.31 8.01 -1.26 -3.16 118.70 129.08 2eeh s GLU 45 Ca 0.73 1.17 0.00 0.00 0.01 0.00 0.00 54.97 56.89 2eeh s GLU 45 Cb -0.94 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.89 2eeh s GLU 45 CO 0.55 -1.07 0.00 0.41 0.01 0.00 0.00 175.26 175.16 2eeh n GLY 46 N -1.17 0.14 4.01 -1.39 0.00 -1.26 -4.91 105.19 100.60 2eeh n GLY 46 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -1.96 5.67 0.26 1.61 1.04 -1.19 -5.01 113.70 114.11 2eeh s SER 47 Ca 0.00 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 2eeh s SER 47 Cb 0.00 -0.73 0.33 0.00 0.10 0.00 0.00 66.02 65.72 2eeh s SER 47 CO 0.00 -0.75 1.70 0.28 0.98 0.00 0.00 173.24 175.45 2eeh h SER 48 N 0.63 0.62 0.04 7.02 0.02 -1.91 -2.93 113.55 117.04 2eeh h SER 48 Ca -0.41 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2eeh h SER 48 Cb 1.28 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2eeh h SER 48 CO 0.46 0.82 -0.06 0.00 -1.14 0.00 0.00 176.83 176.91 2eeh h ALA 49 N 1.23 -0.71 -0.95 3.77 0.00 -1.88 1.54 119.26 122.26 2eeh h ALA 49 Ca 0.09 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.24 2eeh h ALA 49 Cb 0.64 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 2eeh h ALA 49 CO 0.05 -0.72 0.06 1.49 0.00 0.00 0.00 179.25 180.12 2eeh h GLU 50 N -0.10 0.04 -0.58 0.00 4.81 -1.56 1.44 114.58 118.63 2eeh h GLU 50 Ca -0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2eeh h GLU 50 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2eeh h GLU 50 CO -0.02 0.03 -0.02 0.00 -0.73 0.00 0.00 179.01 178.26 2eeh h ARG 51 N 0.04 1.02 0.00 1.92 3.08 -1.21 -1.99 114.38 117.24 2eeh h ARG 51 Ca 0.58 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2eeh h ARG 51 Cb 1.19 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 2eeh h ARG 51 CO -0.86 1.01 -0.10 0.00 -1.07 0.00 0.00 179.97 178.95 2eeh h ALA 52 N 1.03 1.38 0.00 0.04 0.00 1.26 -3.45 119.26 119.51 2eeh h ALA 52 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2eeh h ALA 52 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2eeh h ALA 52 CO 0.03 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2eeh n GLY 53 N -0.87 1.18 3.70 0.00 0.00 0.95 -4.33 105.19 105.82 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.33 0.07 0.99 2.96 -0.68 -4.92 118.68 121.43 2eeh s LEU 54 Ca 0.00 2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 55.82 2eeh s LEU 54 Cb 0.00 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.13 2eeh s LEU 54 CO 0.00 -0.59 0.25 0.00 -1.32 0.00 0.00 176.35 174.70 2eeh s VAL 56 N -3.23 2.18 0.00 0.00 0.11 -1.26 -3.30 120.40 114.90 2eeh s VAL 56 Ca -0.00 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2eeh s VAL 56 Cb 0.02 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 2eeh s VAL 56 CO -0.08 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 2eeh n GLY 57 N 0.65 0.30 3.93 6.54 0.00 -1.19 -4.98 105.19 110.43 2eeh n GLY 57 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.46 5.98 -0.22 1.61 1.01 -1.21 -4.97 116.67 116.42 2eeh s ASP 58 Ca 0.00 -0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 2eeh s ASP 58 Cb 0.00 -1.58 0.06 0.00 1.01 0.00 0.00 42.92 42.41 2eeh s ASP 58 CO 0.00 -0.14 -0.03 -0.75 0.21 0.00 0.00 175.17 174.47 2eeh s LYS 59 N -3.97 1.30 -0.35 8.23 2.20 -1.26 -0.58 119.74 125.30 2eeh s LYS 59 Ca 0.36 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 2eeh s LYS 59 Cb -0.09 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 2eeh s LYS 59 CO 0.28 -0.60 1.57 0.42 -0.36 0.00 0.00 175.35 176.67 2eeh s ILE 60 N 1.56 3.73 -0.25 5.43 1.01 0.11 -3.61 121.20 129.19 2eeh s ILE 60 Ca -0.04 0.77 0.23 0.00 0.00 0.00 0.00 60.65 61.60 2eeh s ILE 60 Cb -0.18 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2eeh s ILE 60 CO -0.07 -0.55 0.94 0.35 0.00 0.00 0.00 174.94 175.61 2eeh n THR 61 N 7.05 0.43 -3.44 2.92 -2.24 -0.36 -3.31 114.28 115.33 2eeh n THR 61 Ca 0.19 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2eeh n THR 61 Cb 0.47 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -3.37 1.22 -0.23 -0.78 2.12 -1.09 -1.60 118.70 114.96 2eeh s GLU 62 Ca -0.01 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 54.82 2eeh s GLU 62 Cb 0.11 0.56 0.07 0.00 0.26 0.00 0.00 34.13 35.13 2eeh s GLU 62 CO 0.81 -0.51 0.59 0.54 -0.54 0.00 0.00 175.26 176.16 2eeh s VAL 63 N -3.26 -0.00 -1.70 3.70 0.11 -0.26 0.24 120.40 119.23 2eeh s VAL 63 Ca -0.01 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2eeh s VAL 63 Cb -0.01 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2eeh s VAL 63 CO -0.09 0.01 0.00 -3.20 -3.33 0.00 0.00 175.10 168.49 2eeh n ASN 64 N 3.54 -4.48 0.00 3.54 2.85 0.19 -0.82 115.26 120.09 2eeh n ASN 64 Ca -0.18 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 2eeh n ASN 64 Cb 0.57 -4.00 0.00 0.00 1.24 0.00 0.00 39.78 37.59 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N -0.42 2.64 3.66 8.20 0.00 -1.26 -4.96 105.19 113.06 2eeh n GLY 65 Ca -0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.41 0.13 0.99 2.01 0.00 -4.93 118.68 121.29 2eeh s LEU 66 Ca 0.00 2.62 -0.30 0.00 0.01 0.00 0.00 54.13 56.46 2eeh s LEU 66 Cb 0.00 -3.53 -0.06 0.00 0.01 0.00 0.00 46.19 42.61 2eeh s LEU 66 CO 0.00 -1.06 1.06 -0.55 1.01 0.00 0.00 176.35 176.81 2eeh s SER 67 N 4.43 7.32 -0.36 2.29 0.15 -1.26 -1.10 113.70 125.17 2eeh s SER 67 Ca 0.87 1.95 0.06 0.00 0.70 0.00 0.00 55.95 59.54 2eeh s SER 67 Cb -0.42 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 61.77 2eeh s SER 67 CO 0.40 -0.21 1.42 0.18 1.20 0.00 0.00 173.24 176.24 2eeh n LEU 68 N 2.82 5.10 -0.27 3.45 4.77 -0.63 -4.61 117.00 127.64 2eeh n LEU 68 Ca 0.04 -4.37 0.10 0.00 -0.03 0.00 0.00 56.01 51.75 2eeh n LEU 68 Cb 0.47 -0.55 0.46 0.00 -2.33 0.00 0.00 43.42 41.48 2eeh n LEU 68 CO 0.53 1.73 0.81 -0.62 -1.33 0.00 0.00 177.39 178.52 2eeh n GLU 69 N -0.88 1.35 -2.06 3.23 1.02 -1.23 -3.90 120.64 118.17 2eeh n GLU 69 Ca 0.43 -0.52 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 2eeh n GLU 69 Cb 0.91 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 31.04 2eeh n GLU 69 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2eeh n SER 70 N -0.26 -0.69 -4.30 1.62 7.64 -1.26 -4.67 113.62 111.70 2eeh n SER 70 Ca 0.15 -1.55 -0.20 0.00 1.01 0.00 0.00 58.87 58.28 2eeh n SER 70 Cb 0.19 0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2eeh s THR 71 N 0.06 1.63 0.39 0.44 2.01 -1.26 -4.99 115.64 113.92 2eeh s THR 71 Ca 0.04 -1.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.07 2eeh s THR 71 Cb 0.19 -1.78 0.10 0.00 0.01 0.00 0.00 72.50 71.02 2eeh s THR 71 CO -0.05 -0.41 0.28 0.35 -0.69 0.00 0.00 174.62 174.10 2eeh n THR 72 N 0.24 0.00 -0.06 -0.82 -2.24 -1.26 -4.66 114.28 105.46 2eeh n THR 72 Ca -0.13 -0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 2eeh n THR 72 Cb 0.58 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2eeh n THR 72 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2eeh n MET 73 N -2.76 0.41 -0.17 -0.78 1.56 -1.26 -4.05 117.12 110.07 2eeh n MET 73 Ca 0.04 0.45 -0.06 0.00 -0.27 0.00 0.00 57.70 57.86 2eeh n MET 73 Cb 0.17 -1.54 -0.05 0.00 2.15 0.00 0.00 33.22 33.95 2eeh n MET 73 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2eeh h GLY 74 N -0.88 -1.65 -0.94 -5.12 0.00 -1.95 0.59 103.07 93.11 2eeh h GLY 74 Ca 0.00 0.91 0.16 0.00 0.00 0.00 0.00 47.33 48.40 2eeh h GLY 74 CO 0.00 -0.46 -0.33 1.44 0.00 0.00 0.00 176.54 177.20 2eeh n SER 75 N -4.14 -0.53 0.26 0.19 7.64 -1.26 0.19 113.62 115.97 2eeh n SER 75 Ca 0.00 1.64 -0.16 0.00 1.01 0.00 0.00 58.87 61.36 2eeh n SER 75 Cb 0.15 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh h ALA 76 N 1.48 -0.63 -0.76 -0.43 0.00 -0.99 -2.43 119.26 115.50 2eeh h ALA 76 Ca 0.37 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2eeh h ALA 76 Cb 0.60 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 2eeh h ALA 76 CO -0.95 -0.86 0.30 0.28 0.00 0.00 0.00 179.25 178.03 2eeh h VAL 77 N -0.63 0.65 -1.30 0.00 2.07 0.49 0.63 116.25 118.16 2eeh h VAL 77 Ca -0.06 -0.15 0.38 0.00 0.82 0.00 0.00 66.70 67.69 2eeh h VAL 77 Cb 0.49 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2eeh h VAL 77 CO 0.09 0.08 1.07 0.50 0.02 0.00 0.00 177.57 179.33 2eeh h LYS 78 N 0.44 0.00 0.03 1.57 3.64 0.26 1.77 116.57 124.28 2eeh h LYS 78 Ca 0.42 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.43 2eeh h LYS 78 Cb 0.64 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2eeh h LYS 78 CO -0.41 0.00 -2.25 0.28 -2.27 0.00 0.00 179.45 174.81 2eeh n VAL 79 N -3.81 1.55 0.33 2.00 0.31 0.20 -3.95 118.33 114.96 2eeh n VAL 79 Ca 0.29 -0.69 0.13 0.00 -0.01 0.00 0.00 64.34 64.06 2eeh n VAL 79 Cb 1.48 -1.23 0.58 0.00 -0.91 0.00 0.00 33.84 33.76 2eeh n VAL 79 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2eeh h LEU 80 N 0.02 0.00 -2.03 7.52 3.38 0.34 -0.10 115.31 124.45 2eeh h LEU 80 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2eeh h LEU 80 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2eeh h LEU 80 CO 0.00 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.60 2eeh n THR 81 N -2.43 0.36 -1.69 0.22 5.66 0.51 -4.84 114.28 112.08 2eeh n THR 81 Ca 0.01 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 2eeh n THR 81 Cb 0.20 0.95 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2eeh n THR 81 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2eeh n SER 82 N 1.25 0.00 -2.12 1.09 2.88 -0.05 -5.00 113.62 111.68 2eeh n SER 82 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2eeh n SER 82 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2eeh n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eeh n SER 83 N 0.00 -8.96 0.14 -3.46 7.64 -1.25 -4.64 113.62 103.09 2eeh n SER 83 Ca 0.00 1.42 0.10 0.00 1.01 0.00 0.00 58.87 61.40 2eeh n SER 83 Cb 0.00 -5.13 0.52 0.00 -1.01 0.00 0.00 64.21 58.59 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 84 N 1.97 0.51 -3.15 6.43 2.88 -1.26 -4.24 113.62 116.76 2eeh n SER 84 Ca 0.00 0.72 0.04 0.00 -1.33 0.00 0.00 58.87 58.31 2eeh n SER 84 Cb 0.00 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 62.66 2eeh n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eeh s ARG 85 N -3.46 0.49 0.23 -1.46 3.00 -1.26 -4.64 118.95 111.84 2eeh s ARG 85 Ca -0.01 0.74 -0.23 0.00 0.00 0.00 0.00 55.73 56.23 2eeh s ARG 85 Cb 0.06 0.39 -0.09 0.00 0.00 0.00 0.00 34.95 35.32 2eeh s ARG 85 CO 0.20 -0.66 0.79 -0.51 0.00 0.00 0.00 175.30 175.12 2eeh s LEU 86 N 2.87 4.42 -0.51 2.53 1.43 -1.00 -4.94 118.68 123.49 2eeh s LEU 86 Ca 0.15 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 2eeh s LEU 86 Cb -0.12 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.63 2eeh s LEU 86 CO -0.21 0.06 0.28 -2.28 0.23 0.00 0.00 176.35 174.43 2eeh s HIS 87 N -1.43 2.81 0.19 0.29 5.65 -1.26 -2.82 115.29 118.72 2eeh s HIS 87 Ca 0.43 -2.94 -0.13 0.00 0.25 0.00 0.00 55.06 52.66 2eeh s HIS 87 Cb -0.19 -2.49 -0.07 0.00 -1.18 0.00 0.00 32.58 28.65 2eeh s HIS 87 CO 0.23 -0.74 0.57 -1.64 -0.65 0.00 0.00 174.74 172.52 2eeh s MET 88 N -0.19 3.94 -0.18 2.88 -1.94 -1.17 0.54 119.30 123.17 2eeh s MET 88 Ca 0.18 0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 54.61 2eeh s MET 88 Cb -0.23 -2.80 0.05 0.00 2.01 0.00 0.00 34.83 33.86 2eeh s MET 88 CO -0.02 0.40 -0.02 -1.64 -0.01 0.00 0.00 175.02 173.73 2eeh s MET 89 N -2.32 1.16 0.20 2.03 -1.94 0.14 -3.45 119.30 115.12 2eeh s MET 89 Ca 0.42 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 2eeh s MET 89 Cb -0.13 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 2eeh s MET 89 CO 0.20 -0.53 0.26 0.14 -0.01 0.00 0.00 175.02 175.08 2eeh s VAL 90 N 1.68 4.94 -0.21 -6.03 -7.23 -1.22 -1.22 120.40 111.11 2eeh s VAL 90 Ca -0.01 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2eeh s VAL 90 Cb -0.16 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 2eeh s VAL 90 CO -0.07 -0.23 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.31 2eeh s ARG 91 N -3.58 3.38 0.03 4.82 0.52 -1.24 -2.07 118.95 120.81 2eeh s ARG 91 Ca 0.33 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2eeh s ARG 91 Cb -0.09 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 2eeh s ARG 91 CO 0.27 -0.17 -0.09 0.50 0.02 0.00 0.00 175.30 175.83 2eeh s ARG 92 N 1.39 0.60 -0.00 3.54 3.52 -1.09 -4.76 118.95 122.15 2eeh s ARG 92 Ca 0.05 -0.61 0.13 0.00 -0.13 0.00 0.00 55.73 55.17 2eeh s ARG 92 Cb -0.14 -0.49 -0.14 0.00 -1.56 0.00 0.00 34.95 32.61 2eeh s ARG 92 CO -0.03 0.11 0.51 0.00 -0.81 0.00 0.00 175.30 175.08 2eeh n MET 93 N 1.96 2.59 -0.37 5.12 0.00 -1.26 -2.05 117.12 123.12 2eeh n MET 93 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.50 2eeh n MET 93 Cb 0.56 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.66 2eeh n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2eeh n GLY 94 N 1.34 -0.58 0.33 3.17 0.00 -1.26 -4.94 105.19 103.25 2eeh n GLY 94 Ca 0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 2eeh n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 95 N 0.00 1.61 -3.48 1.61 2.88 -1.26 -5.10 113.62 109.88 2eeh n SER 95 Ca 0.00 0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2eeh n SER 95 Cb 0.00 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 2eeh n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eeh s GLY 96 N -5.08 -0.51 0.14 0.46 0.00 -1.26 -5.05 107.32 96.02 2eeh s GLY 96 Ca -0.27 0.92 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 2eeh s GLY 96 CO 0.36 0.35 1.34 -0.56 0.00 0.00 0.00 173.10 174.58 2eeh h PRO 97 N 2.07 0.45 -4.62 2.90 0.13 -2.05 -3.50 132.00 127.39 2eeh h PRO 97 Ca -0.26 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2eeh h PRO 97 Cb 1.25 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2eeh h PRO 97 CO 0.33 1.09 -0.98 0.43 -0.23 0.00 0.00 178.00 178.64 2eeh n SER 98 N -3.79 -9.35 0.39 1.44 7.64 -1.26 -4.87 113.62 103.82 2eeh n SER 98 Ca -0.06 1.68 -0.19 0.00 1.01 0.00 0.00 58.87 61.31 2eeh n SER 98 Cb 0.79 -5.21 -0.09 0.00 -1.01 0.00 0.00 64.21 58.69 2eeh n SER 98 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2eeh h SER 99 N 4.41 -0.98 0.00 6.43 0.02 -2.07 -3.56 113.55 117.79 2eeh h SER 99 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2eeh h SER 99 Cb 0.00 0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2eeh h SER 99 CO 0.00 -0.64 0.00 0.61 -1.14 0.00 0.00 176.83 175.66