#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ett s HIS 2 N 0.00 3.55 0.12 1.61 5.65 -1.26 -5.03 115.29 119.93 2ett s HIS 2 Ca 0.00 -1.80 -0.31 0.00 0.25 0.00 0.00 55.06 53.20 2ett s HIS 2 Cb 0.00 -3.75 -0.10 0.00 -1.18 0.00 0.00 32.58 27.55 2ett s HIS 2 CO 0.00 -0.99 1.74 -1.58 -0.65 0.00 0.00 174.74 173.26 2ett s HIS 3 N 0.70 2.40 -0.04 3.88 5.65 -1.26 -4.99 115.29 121.63 2ett s HIS 3 Ca 0.12 0.17 -0.02 0.00 0.25 0.00 0.00 55.06 55.59 2ett s HIS 3 Cb -0.18 -4.09 0.03 0.00 -1.18 0.00 0.00 32.58 27.15 2ett s HIS 3 CO -0.04 -4.40 0.05 -3.38 -0.65 0.00 0.00 174.74 166.33 2ett s HIS 4 N 2.37 0.12 -0.13 3.88 0.00 -1.26 -5.12 115.29 115.16 2ett s HIS 4 Ca 0.77 0.21 -0.04 0.00 -3.00 0.00 0.00 55.06 53.01 2ett s HIS 4 Cb -0.45 -0.51 0.06 0.00 -4.00 0.00 0.00 32.58 27.68 2ett s HIS 4 CO 0.34 -0.21 0.15 -1.58 -1.00 0.00 0.00 174.74 172.45 2ett s HIS 5 N 2.15 -0.10 0.26 0.38 5.65 -1.26 -5.14 115.29 117.22 2ett s HIS 5 Ca 0.05 0.29 0.02 0.00 0.25 0.00 0.00 55.06 55.67 2ett s HIS 5 Cb -0.12 -0.40 0.02 0.00 -1.18 0.00 0.00 32.58 30.90 2ett s HIS 5 CO -0.03 -0.39 0.15 0.72 -0.65 0.00 0.00 174.74 174.54 2ett n HIS 6 N 5.31 -0.71 -3.99 3.88 -0.00 -1.26 -5.11 115.22 113.34 2ett n HIS 6 Ca -0.05 -1.12 -0.31 0.00 -0.00 0.00 0.00 57.72 56.23 2ett n HIS 6 Cb 0.50 -0.20 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 2ett n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 7 N -1.42 3.00 0.84 4.41 5.04 -1.26 -5.11 115.29 120.79 2ett s HIS 7 Ca 0.11 -2.26 -0.11 0.00 -1.54 0.00 0.00 55.06 51.26 2ett s HIS 7 Cb -0.01 -2.03 0.10 0.00 0.04 0.00 0.00 32.58 30.68 2ett s HIS 7 CO 0.07 -0.86 1.09 -0.51 -2.34 0.00 0.00 174.74 172.19 2ett s LEU 8 N 1.18 2.51 -0.12 8.88 1.02 -1.26 -4.78 118.68 126.12 2ett s LEU 8 Ca -0.02 1.52 -0.08 0.00 0.02 0.00 0.00 54.13 55.56 2ett s LEU 8 Cb -0.19 -4.05 0.03 0.00 0.02 0.00 0.00 46.19 42.00 2ett s LEU 8 CO -0.07 -2.34 0.16 1.21 0.02 0.00 0.00 176.35 175.33 2ett n GLU 9 N -3.69 -3.21 -4.34 1.70 4.07 -1.26 -0.85 120.64 113.06 2ett n GLU 9 Ca 0.07 2.56 -0.24 0.00 -0.06 0.00 0.00 57.16 59.49 2ett n GLU 9 Cb 0.55 -3.77 -0.17 0.00 -0.06 0.00 0.00 31.44 27.99 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2ett s LEU 10 N -0.45 1.47 -0.15 4.31 2.01 -1.25 -0.92 118.68 123.70 2ett s LEU 10 Ca -0.19 -0.27 -0.04 0.00 0.01 0.00 0.00 54.13 53.64 2ett s LEU 10 Cb 0.01 -0.76 0.07 0.00 0.01 0.00 0.00 46.19 45.52 2ett s LEU 10 CO 0.51 -0.02 0.18 -1.61 1.01 0.00 0.00 176.35 176.42 2ett s GLU 11 N 0.97 0.10 -0.22 1.70 2.02 -0.22 -4.99 118.70 118.06 2ett s GLU 11 Ca -0.09 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.19 2ett s GLU 11 Cb -0.15 -0.88 -0.01 0.00 0.10 0.00 0.00 34.13 33.19 2ett s GLU 11 CO 0.00 -0.50 -0.04 0.08 0.02 0.00 0.00 175.26 174.82 2ett s VAL 12 N 2.29 3.37 0.04 2.63 1.01 -1.26 -0.05 120.40 128.44 2ett s VAL 12 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2ett s VAL 12 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2ett s VAL 12 CO -0.09 0.43 -0.04 -1.38 0.00 0.00 0.00 175.10 174.01 2ett s HIS 13 N 1.44 0.48 -0.43 5.22 -3.43 -0.41 -4.51 115.29 113.65 2ett s HIS 13 Ca 0.05 -0.70 -0.09 0.00 -0.80 0.00 0.00 55.06 53.53 2ett s HIS 13 Cb -0.14 -0.32 0.09 0.00 -1.43 0.00 0.00 32.58 30.77 2ett s HIS 13 CO -0.03 -0.21 0.27 0.42 -2.00 0.00 0.00 174.74 173.19 2ett s ILE 14 N -2.28 4.21 -0.24 -5.38 1.01 -1.26 0.37 121.20 117.63 2ett s ILE 14 Ca -0.06 -1.48 0.17 0.00 0.00 0.00 0.00 60.65 59.28 2ett s ILE 14 Cb -0.04 -3.61 0.15 0.00 0.01 0.00 0.00 42.46 38.96 2ett s ILE 14 CO -0.03 -0.56 1.50 1.55 0.00 0.00 0.00 174.94 177.40 2ett h PRO 15 N 8.41 0.00 -2.75 2.79 0.13 -1.97 -3.47 132.00 135.13 2ett h PRO 15 Ca -0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2ett h PRO 15 Cb 1.08 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 2ett h PRO 15 CO 0.77 0.35 0.09 -1.12 -0.23 0.00 0.00 178.00 177.86 2ett s SER 16 N -6.39 -0.48 -0.03 1.44 0.01 -1.26 -5.09 113.70 101.89 2ett s SER 16 Ca 0.05 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2ett s SER 16 Cb 0.07 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.84 2ett s SER 16 CO 0.72 -0.76 0.00 -0.69 0.41 0.00 0.00 173.24 172.92 2ett s VAL 17 N -2.62 0.18 0.08 3.43 1.01 -1.26 -1.34 120.40 119.88 2ett s VAL 17 Ca -0.04 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2ett s VAL 17 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2ett s VAL 17 CO -0.03 0.16 -0.11 -0.83 0.00 0.00 0.00 175.10 174.29 2ett s GLY 18 N 1.19 0.82 -0.36 4.51 0.00 -0.13 -4.98 107.32 108.37 2ett s GLY 18 Ca -0.07 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 2ett s GLY 18 CO -0.02 -1.13 1.17 -4.14 0.00 0.00 0.00 173.10 168.98 2ett s PRO 19 N -2.28 3.91 0.00 2.90 0.02 -1.26 -1.74 135.00 136.54 2ett s PRO 19 Ca 0.01 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.00 2ett s PRO 19 Cb -0.06 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.62 2ett s PRO 19 CO 0.01 -1.13 0.00 -1.91 -0.33 0.00 0.00 177.00 173.64 2ett n GLU 20 N 7.32 0.00 -1.64 5.54 2.13 -0.51 -4.96 120.64 128.52 2ett n GLU 20 Ca 0.13 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.64 2ett n GLU 20 Cb 0.48 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.24 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ett s ALA 21 N -0.02 2.66 -0.34 4.31 0.00 -0.87 -4.91 121.76 122.59 2ett s ALA 21 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.62 2ett s ALA 21 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2ett s ALA 21 CO 0.00 -1.26 1.77 -1.21 0.00 0.00 0.00 175.76 175.06 2ett s GLU 22 N -5.12 3.35 -0.09 0.00 0.41 -1.26 -4.40 118.70 111.58 2ett s GLU 22 Ca 0.58 1.37 -0.02 0.00 -0.41 0.00 0.00 54.97 56.49 2ett s GLU 22 Cb -0.13 -4.19 0.03 0.00 -1.78 0.00 0.00 34.13 28.07 2ett s GLU 22 CO 0.54 -1.84 0.03 0.20 -0.49 0.00 0.00 175.26 173.70 2ett s GLY 23 N 5.93 0.42 0.00 -1.39 0.00 -1.24 -4.22 107.32 106.82 2ett s GLY 23 Ca 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2ett s GLY 23 CO 0.33 1.29 0.00 -1.55 0.00 0.00 0.00 173.10 173.17 2ett n PRO 24 N 5.19 0.42 -0.77 2.90 -0.04 -1.26 -4.75 135.00 136.70 2ett n PRO 24 Ca -0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 2ett n PRO 24 Cb 0.50 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.12 2ett n PRO 24 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2ett s ARG 25 N -1.28 0.88 -0.76 0.54 3.52 -1.26 -4.69 118.95 115.91 2ett s ARG 25 Ca 0.00 1.36 -0.29 0.00 -0.13 0.00 0.00 55.73 56.66 2ett s ARG 25 Cb 0.00 -1.73 -0.15 0.00 -1.56 0.00 0.00 34.95 31.51 2ett s ARG 25 CO 0.00 -2.66 2.56 0.00 -0.81 0.00 0.00 175.30 174.38 2ett n GLN 26 N -4.24 0.47 -4.41 5.12 0.00 -1.26 -4.91 117.38 108.15 2ett n GLN 26 Ca 0.10 0.01 -0.26 0.00 0.00 0.00 0.00 57.00 56.85 2ett n GLN 26 Cb 0.53 -2.33 -0.12 0.00 0.00 0.00 0.00 30.24 28.32 2ett n GLN 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2ett s SER 27 N 10.18 3.30 0.47 2.61 0.01 -1.26 -5.03 113.70 123.99 2ett s SER 27 Ca 1.19 -0.85 0.26 0.00 1.31 0.00 0.00 55.95 57.86 2ett s SER 27 Cb -0.81 -0.24 1.05 0.00 0.21 0.00 0.00 66.02 66.23 2ett s SER 27 CO 0.40 0.10 1.88 1.55 0.41 0.00 0.00 173.24 177.58 2ett h PRO 28 N 3.28 0.00 -6.37 12.44 0.13 -2.02 -3.44 132.00 136.02 2ett h PRO 28 Ca -0.46 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.23 2ett h PRO 28 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ett h PRO 28 CO 0.47 0.17 -0.30 -1.21 -0.23 0.00 0.00 178.00 176.90 2ett s GLU 29 N -3.69 2.88 0.35 0.86 0.41 -1.26 -5.02 118.70 113.23 2ett s GLU 29 Ca 0.00 -1.20 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 2ett s GLU 29 Cb 0.10 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 2ett s GLU 29 CO 0.61 -0.15 0.00 1.63 -0.49 0.00 0.00 175.26 176.86 2ett n LYS 30 N -1.74 -2.16 -3.73 1.61 4.76 -1.26 -4.91 118.16 110.73 2ett n LYS 30 Ca 0.05 1.63 -0.13 0.00 -2.87 0.00 0.00 58.31 56.99 2ett n LYS 30 Cb 0.59 -2.57 -0.10 0.00 -1.84 0.00 0.00 35.03 31.12 2ett n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2ett s SER 31 N -6.50 -0.40 0.00 4.39 0.15 -1.26 -4.83 113.70 105.24 2ett s SER 31 Ca 0.00 0.70 0.25 0.00 0.70 0.00 0.00 55.95 57.61 2ett s SER 31 Cb 0.00 0.75 0.47 0.00 -1.71 0.00 0.00 66.02 65.52 2ett s SER 31 CO 0.00 -0.22 1.41 0.00 1.20 0.00 0.00 173.24 175.63 2ett n HIS 32 N 2.48 0.00 -3.45 3.44 1.44 -1.26 -3.68 115.22 114.19 2ett n HIS 32 Ca -0.15 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.18 2ett n HIS 32 Cb 0.57 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 2ett n HIS 32 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2ett s MET 33 N -2.06 4.10 -0.05 -1.40 -2.45 -1.26 -1.42 119.30 114.76 2ett s MET 33 Ca 0.30 0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 55.09 2ett s MET 33 Cb 0.20 -3.32 0.03 0.00 1.25 0.00 0.00 34.83 33.00 2ett s MET 33 CO 0.34 0.46 0.08 0.54 1.05 0.00 0.00 175.02 177.49 2ett s VAL 34 N -0.32 -0.11 -0.00 10.11 0.11 -0.71 -2.14 120.40 127.34 2ett s VAL 34 Ca 0.23 0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 59.58 2ett s VAL 34 Cb -0.16 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2ett s VAL 34 CO 0.11 0.13 0.14 0.72 -3.33 0.00 0.00 175.10 172.88 2ett s PHE 35 N 1.73 3.44 -0.52 1.54 -0.12 -0.53 -0.95 117.98 122.57 2ett s PHE 35 Ca -0.02 0.29 -0.18 0.00 -0.05 0.00 0.00 56.93 56.97 2ett s PHE 35 Cb -0.12 -1.79 0.07 0.00 -0.63 0.00 0.00 43.02 40.55 2ett s PHE 35 CO -0.04 0.61 0.61 1.03 -0.05 0.00 0.00 175.22 177.38 2ett s ARG 36 N -1.89 3.08 -0.28 1.99 1.81 -0.45 0.45 118.95 123.66 2ett s ARG 36 Ca 0.26 -1.09 -0.15 0.00 -1.72 0.00 0.00 55.73 53.03 2ett s ARG 36 Cb -0.12 -4.15 -0.04 0.00 -0.45 0.00 0.00 34.95 30.19 2ett s ARG 36 CO 0.17 -1.27 0.37 0.14 -0.68 0.00 0.00 175.30 174.03 2ett s VAL 37 N 2.47 5.18 -0.38 3.52 -7.23 0.69 -3.48 120.40 121.15 2ett s VAL 37 Ca 0.12 0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 60.64 2ett s VAL 37 Cb -0.21 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.03 2ett s VAL 37 CO 0.09 0.14 0.45 -1.61 -0.31 0.00 0.00 175.10 173.86 2ett s GLU 38 N 2.06 3.36 -0.54 4.82 2.02 0.16 -0.33 118.70 130.25 2ett s GLU 38 Ca 0.15 -0.50 -0.22 0.00 0.02 0.00 0.00 54.97 54.42 2ett s GLU 38 Cb -0.16 -3.88 0.05 0.00 0.10 0.00 0.00 34.13 30.24 2ett s GLU 38 CO 0.10 -0.72 0.82 0.08 0.02 0.00 0.00 175.26 175.56 2ett s VAL 39 N 2.21 4.57 -0.23 2.63 1.01 -0.94 -1.29 120.40 128.37 2ett s VAL 39 Ca 0.14 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2ett s VAL 39 Cb -0.16 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 2ett s VAL 39 CO 0.13 -1.02 0.50 -0.22 0.00 0.00 0.00 175.10 174.50 2ett s LEU 40 N 3.44 4.09 -0.05 3.92 0.20 0.93 -2.41 118.68 128.81 2ett s LEU 40 Ca 0.24 0.57 -0.02 0.00 0.69 0.00 0.00 54.13 55.61 2ett s LEU 40 Cb -0.16 -2.66 0.03 0.00 -0.43 0.00 0.00 46.19 42.98 2ett s LEU 40 CO 0.16 -0.23 0.12 0.00 -0.29 0.00 0.00 176.35 176.10 2ett n SER 42 N 4.07 -5.16 0.00 0.00 2.88 -0.03 -1.76 113.62 113.62 2ett n SER 42 Ca -0.25 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2ett n SER 42 Cb 0.52 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 2ett n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ett n GLY 43 N -0.87 3.38 3.87 0.46 0.00 -1.26 -5.04 105.19 105.73 2ett n GLY 43 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2ett n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ett s ARG 44 N -0.77 3.59 -0.06 1.61 3.00 -0.72 -5.04 118.95 120.57 2ett s ARG 44 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 55.73 55.76 2ett s ARG 44 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 34.95 31.80 2ett s ARG 44 CO 0.00 0.73 -0.04 -0.98 0.00 0.00 0.00 175.30 175.01 2ett s ARG 45 N -1.18 0.89 -0.15 3.54 3.03 -1.26 0.17 118.95 123.99 2ett s ARG 45 Ca 0.20 -0.09 -0.06 0.00 2.03 0.00 0.00 55.73 57.80 2ett s ARG 45 Cb -0.13 -0.96 -0.04 0.00 -1.03 0.00 0.00 34.95 32.78 2ett s ARG 45 CO 0.09 -0.14 0.06 -1.58 -1.13 0.00 0.00 175.30 172.60 2ett s HIS 46 N 1.19 3.29 -0.51 5.89 2.46 -1.01 -4.88 115.29 121.71 2ett s HIS 46 Ca -0.07 0.17 -0.26 0.00 0.47 0.00 0.00 55.06 55.38 2ett s HIS 46 Cb -0.14 -1.99 0.03 0.00 -0.13 0.00 0.00 32.58 30.35 2ett s HIS 46 CO -0.01 0.32 1.00 0.99 -2.47 0.00 0.00 174.74 174.56 2ett s THR 47 N -0.13 4.34 -0.30 0.89 2.01 -1.26 -2.21 115.64 118.98 2ett s THR 47 Ca 0.07 0.68 -0.05 0.00 0.31 0.00 0.00 61.69 62.70 2ett s THR 47 Cb -0.12 -4.54 0.03 0.00 0.01 0.00 0.00 72.50 67.88 2ett s THR 47 CO 0.01 -1.03 0.05 -0.69 -0.69 0.00 0.00 174.62 172.27 2ett s VAL 48 N 4.09 3.56 0.07 3.82 1.01 0.56 -4.92 120.40 128.60 2ett s VAL 48 Ca 0.37 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 2ett s VAL 48 Cb -0.10 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 2ett s VAL 48 CO 0.25 -0.00 1.70 -2.16 0.00 0.00 0.00 175.10 174.88 2ett s PRO 49 N 1.40 4.18 -0.23 2.72 0.04 -1.26 -0.23 135.00 141.63 2ett s PRO 49 Ca -0.00 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2ett s PRO 49 Cb -0.18 -3.65 0.05 0.00 0.04 0.00 0.00 34.50 30.76 2ett s PRO 49 CO 0.01 -0.77 -0.08 0.50 0.04 0.00 0.00 177.00 176.70 2ett s ARG 50 N 2.83 1.82 0.24 4.56 6.06 0.17 -4.93 118.95 129.71 2ett s ARG 50 Ca 0.76 -0.99 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 2ett s ARG 50 Cb -0.41 -2.57 -0.09 0.00 0.06 0.00 0.00 34.95 31.94 2ett s ARG 50 CO 0.33 -0.54 1.24 0.50 -2.50 0.00 0.00 175.30 174.33 2ett s ARG 51 N 1.36 4.46 0.24 5.12 3.52 -1.26 -1.45 118.95 130.94 2ett s ARG 51 Ca -0.05 1.99 -0.05 0.00 -0.13 0.00 0.00 55.73 57.49 2ett s ARG 51 Cb -0.18 -3.18 0.44 0.00 -1.56 0.00 0.00 34.95 30.47 2ett s ARG 51 CO -0.07 -0.10 1.73 -0.92 -0.81 0.00 0.00 175.30 175.13 2ett h TYR 52 N 4.59 0.47 -0.12 5.12 3.20 -1.77 0.81 116.97 129.27 2ett h TYR 52 Ca -0.46 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.35 2ett h TYR 52 Cb 1.22 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2ett h TYR 52 CO 0.60 0.05 -0.35 1.03 -1.64 0.00 0.00 178.16 177.85 2ett h SER 53 N 0.42 0.26 0.17 -2.11 0.87 -1.88 -2.65 113.55 108.63 2ett h SER 53 Ca 0.40 -0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 60.66 2ett h SER 53 Cb 0.61 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2ett h SER 53 CO -0.40 0.60 -0.80 -0.33 -0.53 0.00 0.00 176.83 175.37 2ett h GLU 54 N 0.22 0.51 -0.58 2.24 5.08 -1.29 -2.49 114.58 118.27 2ett h GLU 54 Ca 0.03 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2ett h GLU 54 Cb 0.73 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2ett h GLU 54 CO 0.06 1.08 0.21 0.35 -1.00 0.00 0.00 179.01 179.71 2ett h PHE 55 N 0.33 0.87 -0.81 4.33 3.57 -0.96 0.24 116.94 124.51 2ett h PHE 55 Ca -0.05 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 2ett h PHE 55 Cb 1.41 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2ett h PHE 55 CO 0.06 0.68 0.36 1.25 -2.23 0.00 0.00 178.31 178.43 2ett h HIS 56 N 0.84 1.19 -0.25 0.41 2.76 -1.23 0.26 115.15 119.13 2ett h HIS 56 Ca 0.20 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 2ett h HIS 56 Cb 0.20 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 2ett h HIS 56 CO 0.01 0.88 -0.22 0.00 -1.30 0.00 0.00 177.93 177.30 2ett h ALA 57 N 1.19 0.36 -0.36 5.26 0.00 -0.93 -2.40 119.26 122.38 2ett h ALA 57 Ca 0.27 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ett h ALA 57 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2ett h ALA 57 CO -0.03 0.31 0.11 1.25 0.00 0.00 0.00 179.25 180.90 2ett h LEU 58 N 0.29 0.11 -1.17 0.00 5.85 -0.27 -1.13 115.31 118.99 2ett h LEU 58 Ca 0.04 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ett h LEU 58 Cb 0.77 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2ett h LEU 58 CO 0.06 0.10 0.25 -0.74 -0.34 0.00 0.00 178.44 177.77 2ett h HIS 59 N 0.26 0.83 0.00 1.25 2.76 -0.48 -1.52 115.15 118.25 2ett h HIS 59 Ca 0.16 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 2ett h HIS 59 Cb 0.15 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2ett h HIS 59 CO -0.15 0.63 -0.39 0.87 -1.30 0.00 0.00 177.93 177.59 2ett h LYS 60 N 0.83 0.00 -0.06 5.26 1.79 -0.80 0.04 116.57 123.63 2ett h LYS 60 Ca 0.20 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.51 2ett h LYS 60 Cb 0.13 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2ett h LYS 60 CO -0.02 0.39 -0.59 -0.09 -1.08 0.00 0.00 179.45 178.06 2ett h ARG 61 N 0.00 0.50 0.00 3.15 2.43 -0.23 -3.31 114.38 116.92 2ett h ARG 61 Ca -0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2ett h ARG 61 Cb 0.77 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2ett h ARG 61 CO 0.05 1.10 -0.64 0.44 -1.51 0.00 0.00 179.97 179.40 2ett n ILE 62 N -4.19 0.16 0.24 1.20 -5.35 -0.89 -3.87 119.36 106.66 2ett n ILE 62 Ca -0.09 -0.14 0.07 0.00 -0.27 0.00 0.00 62.75 62.32 2ett n ILE 62 Cb 0.65 0.11 0.60 0.00 -1.74 0.00 0.00 39.64 39.27 2ett n ILE 62 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2ett h LYS 63 N 0.00 0.02 0.00 6.28 5.09 -1.07 0.13 116.57 127.02 2ett h LYS 63 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2ett h LYS 63 Cb 0.63 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.95 2ett h LYS 63 CO 0.00 0.05 -1.17 1.17 -2.09 0.00 0.00 179.45 177.41 2ett n LYS 64 N -4.50 0.16 -0.08 0.07 4.81 -1.26 -4.53 118.16 112.83 2ett n LYS 64 Ca -0.03 -0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.23 2ett n LYS 64 Cb 0.12 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 33.55 2ett n LYS 64 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2ett h LEU 65 N 0.00 0.00 0.00 3.14 6.46 -1.08 -3.49 115.31 120.34 2ett h LEU 65 Ca 0.00 -0.62 -0.41 0.00 -0.12 0.00 0.00 57.88 56.72 2ett h LEU 65 Cb 0.62 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.45 2ett h LEU 65 CO 0.00 1.12 -0.38 0.00 -0.62 0.00 0.00 178.44 178.56 2ett n TYR 66 N -4.56 -0.31 -2.15 1.25 4.11 0.24 -5.08 117.16 110.65 2ett n TYR 66 Ca -0.17 -2.20 -0.43 0.00 -0.00 0.00 0.00 57.90 55.10 2ett n TYR 66 Cb 0.49 0.13 -0.02 0.00 -0.00 0.00 0.00 39.34 39.94 2ett n TYR 66 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2ett s LYS 67 N -3.17 3.86 -0.05 -3.48 1.02 -1.26 -4.59 119.74 112.08 2ett s LYS 67 Ca 0.25 1.66 -0.04 0.00 0.02 0.00 0.00 55.97 57.87 2ett s LYS 67 Cb 0.01 -4.00 0.02 0.00 -0.52 0.00 0.00 37.83 33.34 2ett s LYS 67 CO 0.18 -1.21 0.12 0.08 -0.92 0.00 0.00 175.35 173.60 2ett s VAL 68 N 4.92 -0.01 0.00 3.17 1.01 -1.26 -4.55 120.40 123.67 2ett s VAL 68 Ca 0.69 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2ett s VAL 68 Cb -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2ett s VAL 68 CO 0.28 0.02 0.00 -2.65 0.00 0.00 0.00 175.10 172.75 2ett n PRO 69 N 3.37 0.51 -1.60 2.72 -0.02 -1.26 -4.99 135.00 133.73 2ett n PRO 69 Ca -0.17 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 2ett n PRO 69 Cb 0.57 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.26 2ett n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ett s ASP 70 N -1.07 2.24 0.17 2.55 1.11 -1.26 -5.04 116.67 115.38 2ett s ASP 70 Ca 0.00 0.41 0.04 0.00 0.18 0.00 0.00 52.55 53.18 2ett s ASP 70 Cb 0.00 -0.53 -0.05 0.00 1.07 0.00 0.00 42.92 43.41 2ett s ASP 70 CO 0.00 -3.29 -0.07 0.72 1.18 0.00 0.00 175.17 173.71 2ett s PHE 71 N -3.54 1.36 0.48 4.23 -0.71 -1.26 -5.01 117.98 113.53 2ett s PHE 71 Ca 0.73 -0.81 -0.06 0.00 -1.04 0.00 0.00 56.93 55.75 2ett s PHE 71 Cb -0.06 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 2ett s PHE 71 CO 0.54 0.05 0.80 -1.25 -1.34 0.00 0.00 175.22 174.02 2ett s PRO 72 N -3.78 3.58 0.55 1.99 0.04 -1.26 -5.07 135.00 131.05 2ett s PRO 72 Ca 0.20 0.27 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 2ett s PRO 72 Cb 0.03 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2ett s PRO 72 CO 0.03 -0.20 1.13 0.45 0.04 0.00 0.00 177.00 178.44 2ett s SER 73 N -3.98 5.67 0.36 6.66 0.15 -1.26 -4.93 113.70 116.37 2ett s SER 73 Ca 0.48 2.16 0.19 0.00 0.70 0.00 0.00 55.95 59.48 2ett s SER 73 Cb -0.10 -2.58 0.52 0.00 -1.71 0.00 0.00 66.02 62.15 2ett s SER 73 CO 0.44 -1.25 1.65 0.07 1.20 0.00 0.00 173.24 175.35 2ett h LYS 74 N 1.10 0.00 -5.68 5.44 2.10 -1.97 -3.40 116.57 114.15 2ett h LYS 74 Ca -0.50 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.52 2ett h LYS 74 Cb 1.26 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.46 2ett h LYS 74 CO 0.57 0.38 0.32 0.50 -2.00 0.00 0.00 179.45 179.22 2ett s ARG 75 N -3.39 3.36 -0.00 0.07 3.52 -1.26 -5.00 118.95 116.25 2ett s ARG 75 Ca 0.02 -0.21 -0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2ett s ARG 75 Cb 0.10 -3.96 -0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2ett s ARG 75 CO 0.69 -1.15 0.01 -1.17 -0.81 0.00 0.00 175.30 172.87 2ett s LEU 76 N 3.25 1.98 0.49 -0.88 1.98 -1.26 -5.14 118.68 119.10 2ett s LEU 76 Ca 0.28 -0.02 -0.17 0.00 -2.89 0.00 0.00 54.13 51.33 2ett s LEU 76 Cb -0.13 0.03 -0.15 0.00 0.66 0.00 0.00 46.19 46.61 2ett s LEU 76 CO 0.21 -0.02 -0.12 -2.65 -1.89 0.00 0.00 176.35 171.88 2ett n PRO 77 N 2.98 0.00 0.24 0.98 -0.01 -1.26 -4.83 135.00 133.10 2ett n PRO 77 Ca -0.13 0.00 0.17 0.00 -0.01 0.00 0.00 63.50 63.53 2ett n PRO 77 Cb 0.60 -0.97 0.80 0.00 -0.01 0.00 0.00 33.50 33.92 2ett n PRO 77 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 175.50 174.58 2ett h ASN 78 N -0.00 0.00 -2.26 2.55 2.35 -2.02 -3.45 115.58 112.74 2ett h ASN 78 Ca -0.40 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.01 2ett h ASN 78 Cb 1.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.74 2ett h ASN 78 CO 0.41 0.00 -0.43 1.87 -1.65 0.00 0.00 177.43 177.63 2ett n TRP 79 N -2.72 -0.72 0.17 1.19 -0.00 -1.26 -4.87 117.44 109.22 2ett n TRP 79 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.51 2ett n TRP 79 Cb 0.15 -3.39 0.29 0.00 -0.00 0.00 0.00 31.31 28.36 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ett h ARG 80 N 0.00 0.00 0.00 5.87 3.08 -2.02 -3.21 114.38 118.09 2ett h ARG 80 Ca -0.40 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.58 2ett h ARG 80 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2ett h ARG 80 CO 0.49 0.47 -1.71 2.41 -1.07 0.00 0.00 179.97 180.55 2ett n THR 81 N -3.91 0.25 -2.69 2.04 -1.04 -1.26 -5.02 114.28 102.66 2ett n THR 81 Ca -0.01 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 2ett n THR 81 Cb 0.50 -0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 2ett n THR 81 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2ett s ARG 82 N -2.79 4.09 0.12 -2.82 6.06 -1.22 -5.02 118.95 117.38 2ett s ARG 82 Ca -0.06 1.13 -0.26 0.00 -2.50 0.00 0.00 55.73 54.05 2ett s ARG 82 Cb 0.08 -2.16 -0.07 0.00 0.06 0.00 0.00 34.95 32.86 2ett s ARG 82 CO 0.57 -0.15 0.80 0.20 -2.50 0.00 0.00 175.30 174.22 2ett s GLY 83 N -2.31 2.90 0.62 8.12 0.00 -1.26 -4.96 107.32 110.43 2ett s GLY 83 Ca 0.62 0.37 0.40 0.00 0.00 0.00 0.00 44.72 46.11 2ett s GLY 83 CO 0.18 1.01 2.20 1.41 0.00 0.00 0.00 173.10 177.90 2ett h LEU 84 N 4.87 0.00 -1.51 0.66 -0.00 -1.95 -2.97 115.31 114.41 2ett h LEU 84 Ca -0.46 0.00 0.19 0.00 -0.00 0.00 0.00 57.88 57.61 2ett h LEU 84 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.80 2ett h LEU 84 CO 0.68 0.00 0.58 -0.08 -0.00 0.00 0.00 178.44 179.62 2ett h GLU 85 N 0.00 0.42 -0.04 1.13 4.81 -1.98 0.27 114.58 119.18 2ett h GLU 85 Ca -0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2ett h GLU 85 Cb 0.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2ett h GLU 85 CO 0.00 0.27 -0.26 1.96 -0.73 0.00 0.00 179.01 180.25 2ett h GLN 86 N 0.43 0.25 -0.14 1.92 4.20 -1.94 -0.61 115.11 119.22 2ett h GLN 86 Ca 0.45 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2ett h GLN 86 Cb 1.08 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2ett h GLN 86 CO -0.17 0.88 0.02 -0.09 -0.67 0.00 0.00 178.83 178.80 2ett h ARG 87 N -0.30 0.22 -0.39 1.46 2.43 -1.52 -2.64 114.38 113.65 2ett h ARG 87 Ca -0.02 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2ett h ARG 87 Cb 0.93 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.37 2ett h ARG 87 CO 0.05 0.41 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.63 2ett h ARG 88 N 0.00 -0.13 -0.62 0.20 1.12 -0.56 -1.49 114.38 112.91 2ett h ARG 88 Ca 0.04 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2ett h ARG 88 Cb 0.29 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.24 2ett h ARG 88 CO 0.00 -0.09 0.37 0.37 -3.11 0.00 0.00 179.97 177.51 2ett h GLN 89 N -0.14 0.69 0.08 0.20 4.15 -0.96 0.22 115.11 119.36 2ett h GLN 89 Ca 0.19 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2ett h GLN 89 Cb 0.43 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2ett h GLN 89 CO -0.48 0.46 -0.04 0.78 -1.93 0.00 0.00 178.83 177.62 2ett h GLY 90 N 0.71 -0.11 1.21 2.39 0.00 -1.07 -0.35 103.07 105.86 2ett h GLY 90 Ca 0.26 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 2ett h GLY 90 CO -0.12 -0.04 -0.25 1.41 0.00 0.00 0.00 176.54 177.54 2ett h LEU 91 N -0.28 0.92 -0.73 3.11 -0.00 -1.13 -2.71 115.31 114.49 2ett h LEU 91 Ca -0.01 -0.35 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 2ett h LEU 91 Cb 0.24 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 2ett h LEU 91 CO 0.02 1.12 0.36 -0.08 -0.00 0.00 0.00 178.44 179.86 2ett h GLU 92 N 0.77 1.04 -0.72 1.13 4.81 -0.48 0.17 114.58 121.29 2ett h GLU 92 Ca 0.10 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2ett h GLU 92 Cb 0.80 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2ett h GLU 92 CO 0.07 0.80 0.43 0.00 -0.73 0.00 0.00 179.01 179.58 2ett h ALA 93 N 1.18 0.97 0.33 2.92 0.00 -0.87 0.12 119.26 123.90 2ett h ALA 93 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2ett h ALA 93 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ett h ALA 93 CO -0.03 0.14 -0.16 1.88 0.00 0.00 0.00 179.25 181.08 2ett h TYR 94 N 0.79 -0.41 -0.59 0.00 0.05 -1.11 -2.54 116.97 113.17 2ett h TYR 94 Ca 0.31 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.16 2ett h TYR 94 Cb 0.15 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 2ett h TYR 94 CO -0.06 -0.10 0.27 0.82 -1.05 0.00 0.00 178.16 178.04 2ett h ILE 95 N -1.00 0.87 -0.45 -2.88 2.04 -0.51 0.48 117.51 116.05 2ett h ILE 95 Ca -0.05 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2ett h ILE 95 Cb 0.49 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2ett h ILE 95 CO 0.07 0.09 0.12 -0.61 0.00 0.00 0.00 178.15 177.83 2ett h GLN 96 N 0.49 0.71 0.50 2.37 4.15 -0.91 -1.45 115.11 120.98 2ett h GLN 96 Ca 0.28 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2ett h GLN 96 Cb 0.27 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2ett h GLN 96 CO -0.24 0.70 -0.25 0.78 -1.93 0.00 0.00 178.83 177.90 2ett h GLY 97 N 0.60 -0.71 0.10 2.39 0.00 -0.60 0.76 103.07 105.60 2ett h GLY 97 Ca 0.14 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.83 2ett h GLY 97 CO -0.00 -0.26 -0.12 -2.22 0.00 0.00 0.00 176.54 173.94 2ett h ILE 98 N -0.68 0.54 -0.20 2.60 2.04 -0.08 0.53 117.51 122.27 2ett h ILE 98 Ca -0.07 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 2ett h ILE 98 Cb 0.53 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2ett h ILE 98 CO 0.11 0.00 -0.45 0.25 0.00 0.00 0.00 178.15 178.06 2ett h LEU 99 N -0.01 0.53 0.00 1.44 6.46 -1.18 -3.01 115.31 119.53 2ett h LEU 99 Ca 0.21 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2ett h LEU 99 Cb 0.33 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2ett h LEU 99 CO -0.46 0.91 -0.32 0.22 -0.62 0.00 0.00 178.44 178.16 2ett h TYR 100 N 0.40 0.00 0.78 1.25 3.20 0.44 0.28 116.97 123.32 2ett h TYR 100 Ca 0.03 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2ett h TYR 100 Cb 0.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2ett h TYR 100 CO 0.03 0.18 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.27 2ett h LEU 101 N 0.00 -0.95 0.00 2.82 3.38 0.16 -3.43 115.31 117.28 2ett h LEU 101 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ett h LEU 101 Cb 1.14 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2ett h LEU 101 CO 0.02 -0.66 -0.33 -3.20 0.09 0.00 0.00 178.44 174.36 2ett n ASN 102 N -5.56 0.01 -0.02 -0.43 5.15 -1.26 -4.92 115.26 108.24 2ett n ASN 102 Ca -0.15 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.74 2ett n ASN 102 Cb 0.44 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.55 2ett n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ett n GLN 103 N -2.66 0.64 -2.77 1.20 6.02 -1.26 -5.04 117.38 113.51 2ett n GLN 103 Ca 0.00 0.30 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 2ett n GLN 103 Cb 0.17 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 2ett n GLN 103 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ett n GLU 104 N -3.07 -3.33 -3.17 -1.09 1.02 0.09 -4.54 120.64 106.53 2ett n GLU 104 Ca -0.18 2.67 -0.21 0.00 -0.02 0.00 0.00 57.16 59.42 2ett n GLU 104 Cb 1.05 -4.40 0.02 0.00 -0.02 0.00 0.00 31.44 28.09 2ett n GLU 104 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2ett n VAL 105 N 1.27 -7.20 -1.91 2.62 3.14 -1.24 -4.28 118.33 110.73 2ett n VAL 105 Ca -0.14 0.56 -0.35 0.00 -2.96 0.00 0.00 64.34 61.45 2ett n VAL 105 Cb 0.28 -5.24 0.04 0.00 -1.06 0.00 0.00 33.84 27.87 2ett n VAL 105 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 2ett s PRO 106 N -2.34 2.88 0.58 1.45 0.02 -1.26 -4.93 135.00 131.40 2ett s PRO 106 Ca 0.28 1.63 0.34 0.00 0.02 0.00 0.00 61.00 63.26 2ett s PRO 106 Cb -0.05 -1.94 1.79 0.00 0.02 0.00 0.00 34.50 34.32 2ett s PRO 106 CO 0.76 -1.23 2.18 -0.22 -0.33 0.00 0.00 177.00 178.16 2ett h LYS 107 N 0.52 0.00 0.03 5.54 3.11 -1.93 -2.65 116.57 121.17 2ett h LYS 107 Ca -0.49 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2ett h LYS 107 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2ett h LYS 107 CO 0.54 0.05 -0.01 1.49 -2.81 0.00 0.00 179.45 178.71 2ett h GLU 108 N 0.00 -0.03 -0.40 1.90 4.22 -1.99 -0.62 114.58 117.66 2ett h GLU 108 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ett h GLU 108 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2ett h GLU 108 CO 0.01 0.23 0.23 -0.07 -2.18 0.00 0.00 179.01 177.22 2ett h LEU 109 N -0.29 0.48 -0.42 1.64 -0.00 -1.87 0.49 115.31 115.34 2ett h LEU 109 Ca -0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 2ett h LEU 109 Cb 0.28 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 2ett h LEU 109 CO 0.01 0.38 0.24 0.25 -0.00 0.00 0.00 178.44 179.32 2ett h LEU 110 N 0.55 0.38 -0.10 1.67 7.12 -1.12 -0.78 115.31 123.03 2ett h LEU 110 Ca 0.15 0.01 -0.22 0.00 0.13 0.00 0.00 57.88 57.94 2ett h LEU 110 Cb 0.00 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 2ett h LEU 110 CO -0.03 0.27 -1.01 -0.08 -0.13 0.00 0.00 178.44 177.47 2ett h GLU 111 N 0.48 0.16 0.03 1.25 4.81 0.27 0.20 114.58 121.78 2ett h GLU 111 Ca 0.17 -0.22 -0.25 0.00 -0.13 0.00 0.00 59.36 58.92 2ett h GLU 111 Cb 0.02 0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.49 2ett h GLU 111 CO -0.09 1.04 -1.04 0.35 -0.73 0.00 0.00 179.01 178.54 2ett h PHE 112 N 0.07 0.78 -0.00 0.92 3.57 0.37 -3.17 116.94 119.48 2ett h PHE 112 Ca -0.06 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2ett h PHE 112 Cb 1.70 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2ett h PHE 112 CO 0.03 1.28 -0.56 1.28 -2.23 0.00 0.00 178.31 178.11 2ett n LEU 113 N -3.76 0.71 -3.00 0.59 4.77 -0.34 -5.00 117.00 110.96 2ett n LEU 113 Ca -0.09 -0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 55.25 2ett n LEU 113 Cb 0.89 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 2ett n LEU 113 CO 0.54 0.17 0.07 0.54 -1.33 0.00 0.00 177.39 177.38 2ett n ARG 114 N -1.16 -1.82 -0.51 3.23 1.74 -0.77 -4.93 116.66 112.44 2ett n ARG 114 Ca 0.03 0.87 0.05 0.00 -0.77 0.00 0.00 57.85 58.02 2ett n ARG 114 Cb 0.21 -5.27 0.25 0.00 -1.02 0.00 0.00 32.46 26.62 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ett n LEU 115 N -2.78 3.71 -4.68 0.55 4.77 0.63 -4.96 117.00 114.23 2ett n LEU 115 Ca -0.05 -1.88 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 2ett n LEU 115 Cb 0.59 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2ett n LEU 115 CO 0.51 0.51 1.52 -1.14 -1.33 0.00 0.00 177.39 177.46 2ett n ARG 116 N 0.48 2.85 -2.81 3.23 0.63 -1.26 -3.39 116.66 116.40 2ett n ARG 116 Ca 0.17 1.04 -0.05 0.00 -0.92 0.00 0.00 57.85 58.09 2ett n ARG 116 Cb 0.76 -2.96 0.01 0.00 0.45 0.00 0.00 32.46 30.72 2ett n ARG 116 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2ett n HIS 117 N 6.17 -3.69 -3.81 -0.14 -0.00 -1.26 -4.99 115.22 107.50 2ett n HIS 117 Ca 0.18 1.55 -0.33 0.00 -0.00 0.00 0.00 57.72 59.12 2ett n HIS 117 Cb 0.39 -4.06 -0.11 0.00 -0.00 0.00 0.00 29.99 26.21 2ett n HIS 117 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2ett s PHE 118 N -2.24 3.48 0.10 1.57 -0.71 -1.22 -4.82 117.98 114.14 2ett s PHE 118 Ca 0.16 -3.05 0.11 0.00 -1.04 0.00 0.00 56.93 53.11 2ett s PHE 118 Cb -0.04 -2.99 0.06 0.00 -1.21 0.00 0.00 43.02 38.83 2ett s PHE 118 CO 0.78 -0.73 1.43 -1.35 -1.34 0.00 0.00 175.22 174.01 2ett h PRO 119 N 6.31 0.00 -3.51 1.99 0.11 -1.94 -3.49 132.00 131.47 2ett h PRO 119 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2ett h PRO 119 Cb 0.86 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 2ett h PRO 119 CO 0.73 0.76 -0.56 2.41 -0.21 0.00 0.00 178.00 181.13 2ett n THR 120 N -3.44 -7.29 -3.32 -1.15 -1.04 -1.26 -4.87 114.28 91.91 2ett n THR 120 Ca 0.00 1.35 -0.38 0.00 -2.04 0.00 0.00 64.05 62.98 2ett n THR 120 Cb 0.79 -4.61 -0.06 0.00 -1.82 0.00 0.00 70.33 64.63 2ett n THR 120 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2ett s ASP 121 N -0.28 6.62 -0.53 8.00 1.11 -1.26 -5.02 116.67 125.30 2ett s ASP 121 Ca -0.06 0.74 -0.28 0.00 0.18 0.00 0.00 52.55 53.13 2ett s ASP 121 Cb 0.00 -2.27 0.01 0.00 1.07 0.00 0.00 42.92 41.73 2ett s ASP 121 CO 0.16 -0.03 1.45 -2.16 1.18 0.00 0.00 175.17 175.76 2ett s PRO 122 N 0.87 3.31 -0.07 8.23 0.04 -1.26 -4.81 135.00 141.31 2ett s PRO 122 Ca 0.24 0.58 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 2ett s PRO 122 Cb -0.15 -4.12 -0.24 0.00 0.04 0.00 0.00 34.50 30.03 2ett s PRO 122 CO 0.09 -1.91 1.00 -0.22 0.04 0.00 0.00 177.00 176.00 2ett h LYS 123 N 11.27 0.10 -4.90 4.56 3.11 -2.03 -3.38 116.57 125.31 2ett h LYS 123 Ca -0.27 -0.11 -0.71 0.00 -2.81 0.00 0.00 60.65 56.75 2ett h LYS 123 Cb 1.10 0.03 -0.18 0.00 -1.00 0.00 0.00 32.23 32.18 2ett h LYS 123 CO 1.16 0.87 1.00 0.00 -2.81 0.00 0.00 179.45 179.66 2ett s ALA 124 N -3.08 3.61 -0.57 5.00 0.00 -1.26 -4.90 121.76 120.56 2ett s ALA 124 Ca -0.17 -2.99 -0.04 0.00 0.00 0.00 0.00 51.96 48.76 2ett s ALA 124 Cb -0.00 -4.06 0.15 0.00 0.00 0.00 0.00 23.12 19.21 2ett s ALA 124 CO 0.72 -2.89 0.38 -1.54 0.00 0.00 0.00 175.76 172.43 2ett s SER 125 N 3.31 5.32 -0.14 0.00 1.04 -1.26 -5.03 113.70 116.93 2ett s SER 125 Ca 0.36 -2.58 -0.04 0.00 0.48 0.00 0.00 55.95 54.17 2ett s SER 125 Cb -0.04 -1.87 0.07 0.00 0.10 0.00 0.00 66.02 64.28 2ett s SER 125 CO -0.06 -0.44 0.21 0.21 0.98 0.00 0.00 173.24 174.14 2ett s ASN 126 N 1.15 0.88 -0.28 7.02 3.84 -1.26 -5.10 114.94 121.20 2ett s ASN 126 Ca 0.14 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.41 2ett s ASN 126 Cb -0.21 0.44 0.05 0.00 -0.55 0.00 0.00 41.25 40.98 2ett s ASN 126 CO -0.04 -0.28 -0.06 0.86 -2.79 0.00 0.00 177.10 174.80 2ett s TRP 127 N 2.34 3.24 0.00 0.43 -0.00 -1.26 -5.28 118.94 118.41 2ett s TRP 127 Ca 0.04 -2.03 0.00 0.00 -0.00 0.00 0.00 56.10 54.11 2ett s TRP 127 Cb -0.13 -2.02 0.00 0.00 -0.00 0.00 0.00 33.47 31.31 2ett s TRP 127 CO -0.09 -0.83 0.00 0.41 -0.00 0.00 0.00 176.95 176.44