#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ett n HIS 2 N 0.00 -4.08 -3.87 1.61 -0.00 -1.26 -5.00 115.22 102.62 2ett n HIS 2 Ca 0.00 2.29 -0.30 0.00 -0.00 0.00 0.00 57.72 59.72 2ett n HIS 2 Cb 0.00 -3.76 -0.13 0.00 -0.00 0.00 0.00 29.99 26.10 2ett n HIS 2 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ett s HIS 3 N -0.76 2.88 0.00 1.57 0.00 -1.26 -4.70 115.29 113.03 2ett s HIS 3 Ca -0.23 -2.99 0.00 0.00 -3.00 0.00 0.00 55.06 48.84 2ett s HIS 3 Cb 0.02 -2.53 0.00 0.00 -4.00 0.00 0.00 32.58 26.06 2ett s HIS 3 CO 0.73 -0.73 0.00 1.58 -1.00 0.00 0.00 174.74 175.33 2ett n HIS 4 N 3.07 0.00 -0.39 0.38 -0.00 -1.26 -4.73 115.22 112.29 2ett n HIS 4 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.88 2ett n HIS 4 Cb 0.33 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.55 2ett n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ett n HIS 5 N -0.30 0.75 -2.14 1.57 -0.00 -1.26 -4.82 115.22 109.02 2ett n HIS 5 Ca 0.00 -0.57 -0.42 0.00 0.46 0.00 0.00 57.72 57.19 2ett n HIS 5 Cb 0.01 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.79 2ett n HIS 5 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2ett n HIS 6 N 0.62 3.78 0.00 1.57 -0.00 -1.26 -1.42 115.22 118.51 2ett n HIS 6 Ca 0.17 -2.94 0.00 0.00 -0.00 0.00 0.00 57.72 54.95 2ett n HIS 6 Cb 0.59 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 2ett n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ett n HIS 7 N 6.10 0.00 -1.81 1.57 -0.00 -1.26 -5.12 115.22 114.71 2ett n HIS 7 Ca 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.18 2ett n HIS 7 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.38 2ett n HIS 7 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2ett n LEU 8 N -0.40 -3.92 -1.57 2.41 4.32 -0.51 -4.26 117.00 113.07 2ett n LEU 8 Ca 0.00 1.13 -0.01 0.00 -0.02 0.00 0.00 56.01 57.11 2ett n LEU 8 Cb 0.00 -2.00 -0.01 0.00 -1.62 0.00 0.00 43.42 39.79 2ett n LEU 8 CO 0.00 -1.57 -0.09 -0.62 -1.22 0.00 0.00 177.39 173.89 2ett n GLU 9 N 0.78 -0.65 -3.89 3.23 4.71 -1.26 -2.31 120.64 121.25 2ett n GLU 9 Ca -0.11 0.92 -0.30 0.00 -0.01 0.00 0.00 57.16 57.66 2ett n GLU 9 Cb 0.16 -1.48 -0.15 0.00 -1.01 0.00 0.00 31.44 28.96 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ett s LEU 10 N -0.09 3.32 -0.16 -4.62 1.43 -1.26 -0.51 118.68 116.79 2ett s LEU 10 Ca -0.03 -1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 51.29 2ett s LEU 10 Cb 0.00 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 45.04 2ett s LEU 10 CO 0.09 -0.37 -0.01 -1.61 0.23 0.00 0.00 176.35 174.68 2ett s GLU 11 N 1.29 1.02 -0.13 1.70 2.02 0.33 -4.99 118.70 119.94 2ett s GLU 11 Ca 0.07 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.69 2ett s GLU 11 Cb -0.18 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.16 2ett s GLU 11 CO -0.15 -0.49 -0.23 0.08 0.02 0.00 0.00 175.26 174.49 2ett s VAL 12 N 1.76 2.07 0.02 2.63 1.01 -1.26 0.13 120.40 126.76 2ett s VAL 12 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2ett s VAL 12 Cb -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ett s VAL 12 CO -0.07 0.55 0.29 -1.38 0.00 0.00 0.00 175.10 174.50 2ett s HIS 13 N 0.63 -0.12 -0.40 5.22 -3.43 0.28 -4.45 115.29 113.02 2ett s HIS 13 Ca -0.11 0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.17 2ett s HIS 13 Cb -0.16 0.08 0.10 0.00 -1.43 0.00 0.00 32.58 31.17 2ett s HIS 13 CO 0.02 -0.45 0.20 0.42 -2.00 0.00 0.00 174.74 172.93 2ett s ILE 14 N -2.06 3.42 0.34 -5.38 1.01 -1.26 -0.16 121.20 117.11 2ett s ILE 14 Ca -0.08 -1.90 0.08 0.00 0.00 0.00 0.00 60.65 58.74 2ett s ILE 14 Cb -0.03 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.27 2ett s ILE 14 CO -0.00 -0.62 1.81 -0.65 0.00 0.00 0.00 174.94 175.48 2ett h PRO 15 N 8.11 0.26 -2.17 2.79 0.11 -1.66 -3.45 132.00 135.99 2ett h PRO 15 Ca -0.15 -0.09 0.16 0.00 0.11 0.00 0.00 66.00 66.02 2ett h PRO 15 Cb 1.05 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 2ett h PRO 15 CO 0.70 0.51 0.54 -1.12 -0.21 0.00 0.00 178.00 178.42 2ett s SER 16 N -6.87 -0.27 -0.18 -2.05 0.01 -1.26 -2.36 113.70 100.72 2ett s SER 16 Ca -0.05 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 2ett s SER 16 Cb 0.14 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 2ett s SER 16 CO 0.75 -0.65 -0.11 -0.69 0.41 0.00 0.00 173.24 172.95 2ett s VAL 17 N -3.06 2.94 -0.11 3.43 1.01 -1.26 -2.44 120.40 120.90 2ett s VAL 17 Ca 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2ett s VAL 17 Cb -0.01 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2ett s VAL 17 CO -0.05 0.49 -0.20 -0.83 0.00 0.00 0.00 175.10 174.51 2ett s GLY 18 N 1.01 1.41 -0.44 4.51 0.00 0.11 -4.88 107.32 109.05 2ett s GLY 18 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 2ett s GLY 18 CO -0.02 -0.28 1.45 -4.14 0.00 0.00 0.00 173.10 170.12 2ett s PRO 19 N 0.34 3.48 -0.12 2.90 0.02 -1.26 -0.77 135.00 139.59 2ett s PRO 19 Ca -0.16 0.87 -0.07 0.00 0.02 0.00 0.00 61.00 61.66 2ett s PRO 19 Cb -0.17 -4.07 -0.02 0.00 0.02 0.00 0.00 34.50 30.26 2ett s PRO 19 CO 0.08 -1.69 -0.14 0.93 -0.33 0.00 0.00 177.00 175.85 2ett h GLU 20 N 11.05 0.00 -6.65 5.54 4.39 -1.91 -3.48 114.58 123.52 2ett h GLU 20 Ca -0.28 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.74 2ett h GLU 20 Cb 1.11 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.53 2ett h GLU 20 CO 1.10 0.00 -0.83 0.00 -1.16 0.00 0.00 179.01 178.13 2ett s ALA 21 N -2.76 2.51 -0.36 3.43 0.00 -1.26 -5.09 121.76 118.24 2ett s ALA 21 Ca -0.12 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 2ett s ALA 21 Cb 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2ett s ALA 21 CO 0.17 0.56 0.61 -1.21 0.00 0.00 0.00 175.76 175.90 2ett s GLU 22 N -1.50 3.64 -0.43 0.00 2.02 -1.26 -4.58 118.70 116.59 2ett s GLU 22 Ca 0.14 -0.02 -0.22 0.00 0.02 0.00 0.00 54.97 54.89 2ett s GLU 22 Cb -0.10 -3.82 0.03 0.00 0.10 0.00 0.00 34.13 30.34 2ett s GLU 22 CO 0.05 -0.74 0.60 0.41 0.02 0.00 0.00 175.26 175.60 2ett n GLY 23 N 4.72 -0.95 0.10 -1.39 0.00 -1.26 -4.95 105.19 101.45 2ett n GLY 23 Ca -0.02 1.21 -0.15 0.00 0.00 0.00 0.00 46.02 47.05 2ett n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ett h PRO 24 N 2.08 0.18 -3.01 1.61 0.13 -1.93 -3.48 132.00 127.58 2ett h PRO 24 Ca -0.17 -0.19 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2ett h PRO 24 Cb 1.09 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2ett h PRO 24 CO 0.20 0.92 0.21 0.50 -0.23 0.00 0.00 178.00 179.60 2ett s ARG 25 N -3.14 1.57 -0.55 0.86 3.52 -1.26 -5.09 118.95 114.86 2ett s ARG 25 Ca -0.16 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 54.38 2ett s ARG 25 Cb 0.01 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 34.01 2ett s ARG 25 CO 0.74 -0.71 1.46 -0.65 -0.81 0.00 0.00 175.30 175.34 2ett s GLN 26 N -3.85 3.27 0.41 5.12 -1.52 -1.26 -4.99 119.66 116.84 2ett s GLN 26 Ca 0.07 0.53 -0.14 0.00 -1.95 0.00 0.00 55.36 53.87 2ett s GLN 26 Cb -0.04 -4.14 -0.08 0.00 -0.22 0.00 0.00 33.01 28.53 2ett s GLN 26 CO -0.01 -1.97 0.82 -1.12 -0.25 0.00 0.00 175.29 172.75 2ett s SER 27 N 4.73 6.64 0.22 5.90 0.01 -1.26 -4.95 113.70 124.99 2ett s SER 27 Ca 0.55 1.31 -0.09 0.00 1.31 0.00 0.00 55.95 59.02 2ett s SER 27 Cb -0.12 -2.39 0.34 0.00 0.21 0.00 0.00 66.02 64.06 2ett s SER 27 CO 0.25 -0.39 1.67 -0.65 0.41 0.00 0.00 173.24 174.54 2ett h PRO 28 N 1.48 0.17 0.00 12.44 0.11 -1.97 -0.52 132.00 143.71 2ett h PRO 28 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ett h PRO 28 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ett h PRO 28 CO 0.63 0.11 -0.81 -0.85 -0.21 0.00 0.00 178.00 176.87 2ett n GLU 29 N -5.23 0.12 -1.11 1.05 0.00 -1.26 -4.96 120.64 109.26 2ett n GLU 29 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.23 2ett n GLU 29 Cb 0.38 -1.54 -0.02 0.00 0.00 0.00 0.00 31.44 30.26 2ett n GLU 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ett n LYS 30 N -1.71 -0.38 -2.39 3.44 5.02 -0.21 -4.95 118.16 116.99 2ett n LYS 30 Ca 0.04 0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 2ett n LYS 30 Cb 0.38 -4.14 -0.02 0.00 -0.02 0.00 0.00 35.03 31.23 2ett n LYS 30 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ett s SER 31 N -2.69 6.26 0.00 4.39 0.01 -1.26 -4.79 113.70 115.62 2ett s SER 31 Ca 0.00 0.56 0.27 0.00 1.31 0.00 0.00 55.95 58.09 2ett s SER 31 Cb 0.00 -2.54 0.77 0.00 0.21 0.00 0.00 66.02 64.45 2ett s SER 31 CO 0.00 -1.55 1.58 0.00 0.41 0.00 0.00 173.24 173.68 2ett n HIS 32 N 9.10 0.00 -3.57 2.43 1.44 -1.26 -4.63 115.22 118.73 2ett n HIS 32 Ca 0.14 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.48 2ett n HIS 32 Cb 0.49 -0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.51 2ett n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ett s MET 33 N -2.14 4.01 -0.07 -1.40 0.23 -1.26 -3.93 119.30 114.75 2ett s MET 33 Ca 0.32 0.18 0.02 0.00 -1.03 0.00 0.00 55.69 55.18 2ett s MET 33 Cb 0.20 -3.32 -0.03 0.00 -1.53 0.00 0.00 34.83 30.16 2ett s MET 33 CO 0.38 0.47 -0.10 0.54 -2.03 0.00 0.00 175.02 174.29 2ett s VAL 34 N -0.28 3.44 -0.01 5.16 0.11 0.05 -4.54 120.40 124.32 2ett s VAL 34 Ca 0.19 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2ett s VAL 34 Cb -0.14 -2.39 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 2ett s VAL 34 CO 0.07 0.59 0.21 0.72 -3.33 0.00 0.00 175.10 173.36 2ett s PHE 35 N -0.69 3.56 -0.66 1.54 -0.12 -0.98 0.10 117.98 120.73 2ett s PHE 35 Ca 0.11 0.43 -0.20 0.00 -0.05 0.00 0.00 56.93 57.21 2ett s PHE 35 Cb -0.11 -1.88 0.10 0.00 -0.63 0.00 0.00 43.02 40.50 2ett s PHE 35 CO 0.01 0.64 0.85 1.03 -0.05 0.00 0.00 175.22 177.70 2ett s ARG 36 N -1.86 3.14 -0.65 1.99 1.81 -1.02 -0.13 118.95 122.22 2ett s ARG 36 Ca 0.27 -1.21 -0.24 0.00 -1.72 0.00 0.00 55.73 52.83 2ett s ARG 36 Cb -0.13 -4.32 0.05 0.00 -0.45 0.00 0.00 34.95 30.10 2ett s ARG 36 CO 0.17 -1.67 1.05 0.14 -0.68 0.00 0.00 175.30 174.32 2ett s VAL 37 N 3.15 4.17 -0.46 3.52 -7.23 0.14 -3.78 120.40 119.91 2ett s VAL 37 Ca 0.18 0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.16 2ett s VAL 37 Cb -0.19 -4.72 0.03 0.00 0.56 0.00 0.00 36.38 32.06 2ett s VAL 37 CO 0.06 -1.48 0.74 -0.70 -0.31 0.00 0.00 175.10 173.40 2ett s GLU 38 N 4.51 3.33 -0.34 4.82 -6.30 0.77 -0.76 118.70 124.73 2ett s GLU 38 Ca 0.28 -0.29 -0.06 0.00 -2.50 0.00 0.00 54.97 52.40 2ett s GLU 38 Cb -0.13 -3.97 0.04 0.00 0.00 0.00 0.00 34.13 30.07 2ett s GLU 38 CO 0.14 -1.13 0.11 0.08 0.02 0.00 0.00 175.26 174.48 2ett s VAL 39 N 3.13 3.74 -0.27 3.70 1.01 -0.30 -0.56 120.40 130.85 2ett s VAL 39 Ca 0.26 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2ett s VAL 39 Cb -0.13 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2ett s VAL 39 CO 0.20 -0.19 0.22 -0.22 0.00 0.00 0.00 175.10 175.11 2ett s LEU 40 N 1.39 4.03 -0.07 3.92 0.20 0.12 -1.67 118.68 126.61 2ett s LEU 40 Ca -0.02 0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 2ett s LEU 40 Cb -0.20 -2.17 0.03 0.00 -0.43 0.00 0.00 46.19 43.42 2ett s LEU 40 CO 0.02 -0.06 -0.00 0.00 -0.29 0.00 0.00 176.35 176.02 2ett n SER 42 N 4.99 -4.43 0.00 0.00 2.88 0.33 -1.89 113.62 115.50 2ett n SER 42 Ca -0.10 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2ett n SER 42 Cb 0.50 -2.71 0.00 0.00 -0.75 0.00 0.00 64.21 61.25 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 -1.42 2.65 3.82 0.46 0.00 -0.98 -4.80 105.19 104.92 2ett n GLY 43 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.91 3.76 0.20 1.61 3.00 -0.79 -5.08 118.95 120.74 2ett s ARG 44 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 55.73 55.69 2ett s ARG 44 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 34.95 31.62 2ett s ARG 44 CO 0.00 0.59 -0.08 -0.98 0.00 0.00 0.00 175.30 174.83 2ett s ARG 45 N -0.50 1.28 -0.16 3.54 3.03 -1.26 0.06 118.95 124.94 2ett s ARG 45 Ca 0.14 -1.60 -0.07 0.00 2.03 0.00 0.00 55.73 56.23 2ett s ARG 45 Cb -0.12 -0.84 0.07 0.00 -1.03 0.00 0.00 34.95 33.03 2ett s ARG 45 CO 0.03 0.06 0.36 -3.38 -1.13 0.00 0.00 175.30 171.24 2ett s HIS 46 N -3.20 -0.60 -0.41 5.89 -3.43 -0.67 -4.08 115.29 108.78 2ett s HIS 46 Ca 0.23 1.25 -0.25 0.00 -0.80 0.00 0.00 55.06 55.49 2ett s HIS 46 Cb 0.03 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2ett s HIS 46 CO 0.06 -0.39 0.88 0.99 -2.00 0.00 0.00 174.74 174.28 2ett s THR 47 N 2.07 4.58 -0.40 -5.38 2.01 -1.10 -1.15 115.64 116.27 2ett s THR 47 Ca -0.04 0.86 -0.08 0.00 0.31 0.00 0.00 61.69 62.74 2ett s THR 47 Cb -0.11 -4.34 0.07 0.00 0.01 0.00 0.00 72.50 68.14 2ett s THR 47 CO -0.11 -0.65 0.22 -0.69 -0.69 0.00 0.00 174.62 172.70 2ett s VAL 48 N 3.47 3.99 -0.39 3.82 1.01 0.06 -4.89 120.40 127.48 2ett s VAL 48 Ca 0.35 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2ett s VAL 48 Cb -0.12 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 2ett s VAL 48 CO 0.22 -0.46 1.61 -2.84 0.00 0.00 0.00 175.10 173.63 2ett s PRO 49 N 1.38 3.41 -0.09 2.72 0.02 -1.26 0.26 135.00 141.45 2ett s PRO 49 Ca 0.03 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.20 2ett s PRO 49 Cb -0.22 -4.13 0.02 0.00 0.02 0.00 0.00 34.50 30.19 2ett s PRO 49 CO 0.01 -1.77 -0.12 0.50 -0.33 0.00 0.00 177.00 175.30 2ett s ARG 50 N 5.39 1.81 0.62 5.54 6.06 0.82 -4.91 118.95 134.28 2ett s ARG 50 Ca 0.70 -0.42 -0.16 0.00 -2.50 0.00 0.00 55.73 53.34 2ett s ARG 50 Cb -0.18 -1.58 -0.02 0.00 0.06 0.00 0.00 34.95 33.23 2ett s ARG 50 CO 0.32 -0.06 1.12 0.50 -2.50 0.00 0.00 175.30 174.68 2ett s ARG 51 N 0.98 3.00 0.52 5.12 3.52 -1.26 -2.31 118.95 128.52 2ett s ARG 51 Ca -0.08 1.46 0.28 0.00 -0.13 0.00 0.00 55.73 57.25 2ett s ARG 51 Cb -0.15 -1.97 1.45 0.00 -1.56 0.00 0.00 34.95 32.72 2ett s ARG 51 CO -0.00 -1.10 2.07 -0.92 -0.81 0.00 0.00 175.30 174.53 2ett h TYR 52 N 0.43 0.00 -0.10 5.12 5.03 -1.82 -1.81 116.97 123.83 2ett h TYR 52 Ca -0.48 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.83 2ett h TYR 52 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.53 2ett h TYR 52 CO 0.54 0.12 0.04 1.03 -1.32 0.00 0.00 178.16 178.56 2ett h SER 53 N 0.00 0.14 0.31 -2.11 0.87 -1.91 -1.24 113.55 109.62 2ett h SER 53 Ca -0.00 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 2ett h SER 53 Cb 0.34 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2ett h SER 53 CO 0.02 0.26 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.85 2ett h GLU 54 N 0.01 0.12 -0.23 2.24 3.07 -1.73 -1.03 114.58 117.02 2ett h GLU 54 Ca 0.03 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2ett h GLU 54 Cb 0.17 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 2ett h GLU 54 CO -0.00 0.50 -0.03 0.35 -1.40 0.00 0.00 179.01 178.42 2ett h PHE 55 N 0.10 -0.07 -0.04 4.33 3.57 -0.98 0.44 116.94 124.28 2ett h PHE 55 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ett h PHE 55 Cb 0.74 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 2ett h PHE 55 CO 0.01 -0.07 0.02 0.45 -2.23 0.00 0.00 178.31 176.48 2ett h HIS 56 N 0.03 0.06 -0.66 0.41 3.86 -0.81 -2.02 115.15 116.03 2ett h HIS 56 Ca 0.11 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 2ett h HIS 56 Cb 0.16 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 2ett h HIS 56 CO -0.22 0.20 0.39 0.00 0.86 0.00 0.00 177.93 179.17 2ett h ALA 57 N 0.85 0.87 -0.23 2.45 0.00 -0.91 0.15 119.26 122.44 2ett h ALA 57 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ett h ALA 57 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2ett h ALA 57 CO -0.00 0.13 -0.04 1.25 0.00 0.00 0.00 179.25 180.58 2ett h LEU 58 N 0.76 -0.18 -0.44 0.00 5.85 -0.08 -2.76 115.31 118.46 2ett h LEU 58 Ca 0.27 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 2ett h LEU 58 Cb 0.07 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2ett h LEU 58 CO -0.13 -0.06 -0.29 0.45 -0.34 0.00 0.00 178.44 178.07 2ett h HIS 59 N 0.02 1.14 -0.67 1.25 3.86 -0.57 -1.96 115.15 118.21 2ett h HIS 59 Ca 0.11 -0.30 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2ett h HIS 59 Cb 0.16 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 2ett h HIS 59 CO -0.23 1.13 0.42 0.87 0.86 0.00 0.00 177.93 180.99 2ett h LYS 60 N 0.81 0.80 -0.08 2.45 1.79 -0.57 -1.44 116.57 120.33 2ett h LYS 60 Ca 0.09 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 2ett h LYS 60 Cb 0.87 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2ett h LYS 60 CO 0.08 0.53 -0.41 -0.09 -1.08 0.00 0.00 179.45 178.48 2ett h ARG 61 N 0.82 0.41 0.00 3.15 2.43 -1.41 -3.25 114.38 116.54 2ett h ARG 61 Ca 0.27 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2ett h ARG 61 Cb 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2ett h ARG 61 CO -0.10 0.98 0.00 0.44 -1.51 0.00 0.00 179.97 179.78 2ett n ILE 62 N -4.34 0.86 -0.29 1.20 -5.35 -0.74 -2.26 119.36 108.43 2ett n ILE 62 Ca -0.08 0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.60 2ett n ILE 62 Cb 0.55 -1.13 0.09 0.00 -1.74 0.00 0.00 39.64 37.42 2ett n ILE 62 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2ett h LYS 63 N 0.00 1.00 0.00 6.28 1.79 -1.30 0.27 116.57 124.61 2ett h LYS 63 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2ett h LYS 63 Cb 0.35 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2ett h LYS 63 CO 0.00 0.66 0.00 1.63 -1.08 0.00 0.00 179.45 180.66 2ett n LYS 64 N -4.57 0.10 -0.13 3.15 4.76 -0.96 -4.13 118.16 116.37 2ett n LYS 64 Ca 0.09 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 2ett n LYS 64 Cb 0.07 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.67 2ett n LYS 64 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2ett n LEU 65 N -1.45 1.95 -4.29 -0.35 0.00 0.10 -5.07 117.00 107.88 2ett n LEU 65 Ca 0.08 0.34 -0.19 0.00 0.00 0.00 0.00 56.01 56.25 2ett n LEU 65 Cb 0.31 -0.82 -0.09 0.00 0.00 0.00 0.00 43.42 42.83 2ett n LEU 65 CO 0.25 0.45 -0.15 -0.72 0.00 0.00 0.00 177.39 177.22 2ett s TYR 66 N -2.56 1.64 -0.24 1.96 1.13 0.71 -5.08 117.35 114.91 2ett s TYR 66 Ca -0.37 -1.55 -0.29 0.00 -1.41 0.00 0.00 57.07 53.45 2ett s TYR 66 Cb 0.13 -0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 40.23 2ett s TYR 66 CO 0.48 -0.74 1.60 0.15 -2.51 0.00 0.00 175.55 174.53 2ett s LYS 67 N -3.63 3.76 -0.02 -3.49 1.02 -1.26 -4.48 119.74 111.63 2ett s LYS 67 Ca 0.38 1.58 0.01 0.00 0.02 0.00 0.00 55.97 57.96 2ett s LYS 67 Cb 0.03 -4.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2ett s LYS 67 CO 0.23 -1.34 -0.02 0.08 -0.92 0.00 0.00 175.35 173.38 2ett s VAL 68 N 5.29 0.25 0.37 3.17 1.01 -1.26 -4.52 120.40 124.70 2ett s VAL 68 Ca 0.71 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2ett s VAL 68 Cb -0.24 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 35.96 2ett s VAL 68 CO 0.29 0.12 0.50 -0.81 0.00 0.00 0.00 175.10 175.20 2ett n PRO 69 N 3.59 -0.52 -3.40 2.72 -0.05 -1.26 -4.98 135.00 131.10 2ett n PRO 69 Ca -0.20 -0.77 -0.38 0.00 -0.05 0.00 0.00 63.50 62.10 2ett n PRO 69 Cb 0.54 -0.52 -0.06 0.00 -0.05 0.00 0.00 33.50 33.41 2ett n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2ett s ASP 70 N -2.82 6.68 0.54 3.54 1.01 -1.26 -5.05 116.67 119.30 2ett s ASP 70 Ca 0.28 0.81 -0.05 0.00 0.71 0.00 0.00 52.55 54.31 2ett s ASP 70 Cb -0.01 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 2ett s ASP 70 CO 0.20 0.11 0.84 0.72 0.21 0.00 0.00 175.17 177.25 2ett s PHE 71 N 0.10 3.34 0.40 4.23 -0.12 -1.26 -5.03 117.98 119.63 2ett s PHE 71 Ca 0.24 0.63 -0.25 0.00 -0.05 0.00 0.00 56.93 57.50 2ett s PHE 71 Cb -0.15 -2.55 -0.11 0.00 -0.63 0.00 0.00 43.02 39.58 2ett s PHE 71 CO 0.10 -0.60 1.13 -2.30 -0.05 0.00 0.00 175.22 173.49 2ett n PRO 72 N -2.42 1.62 -0.74 1.99 -0.02 -1.26 -4.98 135.00 129.19 2ett n PRO 72 Ca 0.03 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 2ett n PRO 72 Cb 0.57 -2.16 0.20 0.00 -0.02 0.00 0.00 33.50 32.08 2ett n PRO 72 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ett n SER 73 N 0.50 -2.03 0.26 2.55 2.88 -1.26 -4.90 113.62 111.62 2ett n SER 73 Ca 0.08 -0.98 0.16 0.00 -1.33 0.00 0.00 58.87 56.79 2ett n SER 73 Cb 0.38 -0.77 0.60 0.00 -0.75 0.00 0.00 64.21 63.67 2ett n SER 73 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2ett h LYS 74 N 0.00 0.00 -6.02 -1.46 2.10 -1.98 -3.40 116.57 105.81 2ett h LYS 74 Ca -0.32 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.72 2ett h LYS 74 Cb 0.97 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.19 2ett h LYS 74 CO 0.20 0.04 0.51 1.03 -2.00 0.00 0.00 179.45 179.23 2ett s ARG 75 N -3.63 3.48 0.23 0.07 1.81 -1.26 -4.58 118.95 115.06 2ett s ARG 75 Ca 0.02 0.05 0.11 0.00 -1.72 0.00 0.00 55.73 54.18 2ett s ARG 75 Cb 0.09 -3.94 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 2ett s ARG 75 CO 0.57 -1.20 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.28 2ett s LEU 76 N 3.61 2.51 0.97 2.53 1.43 -1.26 -5.09 118.68 123.39 2ett s LEU 76 Ca 0.34 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 2ett s LEU 76 Cb -0.11 -1.02 0.08 0.00 0.03 0.00 0.00 46.19 45.17 2ett s LEU 76 CO 0.25 0.03 0.54 -0.81 0.23 0.00 0.00 176.35 176.58 2ett n PRO 77 N -0.18 -0.58 0.00 1.29 -0.04 -1.26 -4.86 135.00 129.37 2ett n PRO 77 Ca -0.09 -0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.31 2ett n PRO 77 Cb 0.58 -1.96 0.31 0.00 -0.04 0.00 0.00 33.50 32.39 2ett n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ett n ASN 78 N -2.12 0.00 0.00 3.54 4.05 -1.26 -4.86 115.26 114.61 2ett n ASN 78 Ca 0.07 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.32 2ett n ASN 78 Cb 0.54 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 41.20 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2ett n TRP 79 N -1.35 0.00 0.25 1.20 5.03 -0.91 -4.28 117.44 117.38 2ett n TRP 79 Ca 0.05 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.67 2ett n TRP 79 Cb 0.12 0.00 0.65 0.00 -1.03 0.00 0.00 31.31 31.04 2ett n TRP 79 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2ett h ARG 80 N 0.00 0.00 0.05 -0.99 3.08 -2.01 -2.76 114.38 111.75 2ett h ARG 80 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2ett h ARG 80 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2ett h ARG 80 CO 0.00 0.13 -0.97 1.79 -1.07 0.00 0.00 179.97 179.84 2ett h THR 81 N 0.00 1.22 -2.17 2.04 1.35 -1.97 -3.49 112.91 109.89 2ett h THR 81 Ca -0.00 -2.33 0.10 0.00 -0.55 0.00 0.00 66.41 63.63 2ett h THR 81 Cb 0.26 2.77 -0.16 0.00 -1.73 0.00 0.00 68.15 69.29 2ett h THR 81 CO 0.02 0.56 0.49 -0.13 -0.25 0.00 0.00 175.52 176.21 2ett s ARG 82 N -2.37 0.80 0.00 4.72 0.52 -1.04 -5.08 118.95 116.49 2ett s ARG 82 Ca -0.22 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 2ett s ARG 82 Cb 0.03 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.87 2ett s ARG 82 CO 0.70 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2ett n GLY 83 N -0.08 4.01 0.32 -3.53 0.00 -1.25 -2.14 105.19 102.51 2ett n GLY 83 Ca -0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 2ett n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ett h LEU 84 N 0.00 1.03 -0.45 0.99 -0.00 -1.99 0.65 115.31 115.54 2ett h LEU 84 Ca 0.00 -0.21 -0.15 0.00 -0.00 0.00 0.00 57.88 57.52 2ett h LEU 84 Cb 0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.38 2ett h LEU 84 CO 0.00 0.96 -0.33 -0.08 -0.00 0.00 0.00 178.44 179.00 2ett h GLU 85 N 1.04 0.93 -0.63 1.13 4.22 -1.96 -1.87 114.58 117.44 2ett h GLU 85 Ca 0.23 -0.46 -0.09 0.00 0.08 0.00 0.00 59.36 59.13 2ett h GLU 85 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2ett h GLU 85 CO -0.01 1.11 0.05 1.96 -2.18 0.00 0.00 179.01 179.95 2ett h GLN 86 N 0.78 1.07 0.26 1.92 7.50 -1.90 -2.30 115.11 122.45 2ett h GLN 86 Ca 0.08 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.91 2ett h GLN 86 Cb 0.91 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.31 2ett h GLN 86 CO 0.08 1.02 -0.25 -0.09 -1.50 0.00 0.00 178.83 178.09 2ett h ARG 87 N 0.98 -0.52 0.32 1.46 2.43 0.62 0.30 114.38 119.97 2ett h ARG 87 Ca 0.18 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2ett h ARG 87 Cb 0.50 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2ett h ARG 87 CO 0.02 -0.35 -0.22 -0.09 -1.51 0.00 0.00 179.97 177.83 2ett h ARG 88 N -0.54 -0.51 -0.12 0.20 2.43 -1.29 -2.09 114.38 112.46 2ett h ARG 88 Ca -0.01 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ett h ARG 88 Cb 0.50 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2ett h ARG 88 CO -0.05 -0.34 0.07 0.37 -1.51 0.00 0.00 179.97 178.51 2ett h GLN 89 N -0.53 0.16 -0.28 0.20 4.15 -1.28 0.19 115.11 117.72 2ett h GLN 89 Ca -0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2ett h GLN 89 Cb 0.45 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2ett h GLN 89 CO 0.02 0.15 0.10 0.78 -1.93 0.00 0.00 178.83 177.95 2ett h GLY 90 N 0.12 0.45 1.56 2.39 0.00 -0.38 -0.90 103.07 106.31 2ett h GLY 90 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 2ett h GLY 90 CO -0.01 0.24 -0.39 1.41 0.00 0.00 0.00 176.54 177.79 2ett h LEU 91 N 0.29 0.51 -0.27 3.11 -0.00 -1.32 -0.59 115.31 117.05 2ett h LEU 91 Ca 0.09 -0.22 0.04 0.00 -0.00 0.00 0.00 57.88 57.79 2ett h LEU 91 Cb 0.20 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.68 2ett h LEU 91 CO -0.01 0.85 0.05 -0.08 -0.00 0.00 0.00 178.44 179.26 2ett h GLU 92 N 0.41 0.15 0.00 1.13 4.81 -0.33 0.51 114.58 121.25 2ett h GLU 92 Ca 0.04 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2ett h GLU 92 Cb 0.86 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2ett h GLU 92 CO 0.07 0.10 -0.65 0.00 -0.73 0.00 0.00 179.01 177.80 2ett h ALA 93 N 1.20 0.80 0.06 2.92 0.00 -0.96 -2.58 119.26 120.69 2ett h ALA 93 Ca 0.12 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 2ett h ALA 93 Cb 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ett h ALA 93 CO -0.17 0.81 -0.69 -0.92 0.00 0.00 0.00 179.25 178.29 2ett h TYR 94 N 0.00 0.57 -0.06 0.00 3.20 -0.67 0.01 116.97 120.03 2ett h TYR 94 Ca -0.01 -0.36 -0.12 0.00 3.14 0.00 0.00 58.73 61.39 2ett h TYR 94 Cb 1.24 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2ett h TYR 94 CO 0.00 1.21 -0.49 0.82 -1.64 0.00 0.00 178.16 178.07 2ett h ILE 95 N -0.23 1.35 -0.25 1.81 2.04 -0.99 -1.04 117.51 120.20 2ett h ILE 95 Ca -0.10 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 2ett h ILE 95 Cb 1.45 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 2ett h ILE 95 CO 0.13 0.50 -0.15 -0.61 0.00 0.00 0.00 178.15 178.02 2ett h GLN 96 N 0.13 0.43 0.31 2.37 -0.00 -1.50 -1.37 115.11 115.48 2ett h GLN 96 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2ett h GLN 96 Cb 0.91 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.33 2ett h GLN 96 CO 0.07 0.58 -0.23 0.78 0.00 0.00 0.00 178.83 180.03 2ett h GLY 97 N 0.92 -0.57 1.63 2.39 0.00 0.26 0.13 103.07 107.83 2ett h GLY 97 Ca 0.07 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 2ett h GLY 97 CO 0.03 -0.23 -0.09 0.16 0.00 0.00 0.00 176.54 176.41 2ett h ILE 98 N -0.54 1.21 -0.53 2.60 3.07 -1.20 -0.32 117.51 121.80 2ett h ILE 98 Ca -0.02 -0.92 -0.03 0.00 1.55 0.00 0.00 64.86 65.44 2ett h ILE 98 Cb 0.48 1.11 -0.03 0.00 -0.27 0.00 0.00 36.82 38.11 2ett h ILE 98 CO -0.01 0.30 0.22 0.25 -1.05 0.00 0.00 178.15 177.87 2ett h LEU 99 N 0.43 0.68 0.00 0.16 7.12 -0.87 -2.51 115.31 120.31 2ett h LEU 99 Ca 0.08 -0.08 -0.19 0.00 0.13 0.00 0.00 57.88 57.83 2ett h LEU 99 Cb 0.43 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 2ett h LEU 99 CO 0.02 0.61 -1.07 0.22 -0.13 0.00 0.00 178.44 178.09 2ett h TYR 100 N 0.75 0.00 0.54 1.25 3.20 -0.10 -3.20 116.97 119.41 2ett h TYR 100 Ca 0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2ett h TYR 100 Cb 0.13 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.40 2ett h TYR 100 CO 0.01 0.78 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.98 2ett h LEU 101 N 0.00 -0.62 0.00 2.82 3.38 -0.64 -3.48 115.31 116.77 2ett h LEU 101 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ett h LEU 101 Cb 1.67 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2ett h LEU 101 CO 0.09 -0.25 0.00 -3.20 0.09 0.00 0.00 178.44 175.17 2ett n ASN 102 N -5.29 -1.58 -0.24 -0.43 5.15 -1.11 -4.95 115.26 106.80 2ett n ASN 102 Ca -0.11 0.42 0.12 0.00 -0.60 0.00 0.00 54.58 54.41 2ett n ASN 102 Cb 0.33 1.66 0.59 0.00 -0.53 0.00 0.00 39.78 41.83 2ett n ASN 102 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2ett n GLN 103 N -3.02 1.32 0.00 1.20 7.27 -1.26 -4.93 117.38 117.97 2ett n GLN 103 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 57.00 56.59 2ett n GLN 103 Cb 0.00 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.25 2ett n GLN 103 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2ett n GLU 104 N -0.35 0.00 -3.33 3.69 0.28 -1.21 -3.97 120.64 115.75 2ett n GLU 104 Ca 0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.75 2ett n GLU 104 Cb 0.20 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.98 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ett s VAL 105 N 0.00 5.10 -0.32 3.84 0.11 -1.26 -3.87 120.40 123.99 2ett s VAL 105 Ca 0.00 -0.37 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 2ett s VAL 105 Cb 0.00 -4.03 -0.08 0.00 -1.53 0.00 0.00 36.38 30.73 2ett s VAL 105 CO 0.00 -0.42 2.24 -2.65 -3.33 0.00 0.00 175.10 170.95 2ett n PRO 106 N 5.58 1.44 0.26 1.54 -0.02 -1.25 -4.80 135.00 137.75 2ett n PRO 106 Ca -0.07 0.36 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 2ett n PRO 106 Cb 0.47 -2.88 0.90 0.00 -0.02 0.00 0.00 33.50 31.97 2ett n PRO 106 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2ett h LYS 107 N 14.31 0.00 -0.37 -0.52 3.11 -1.95 -0.58 116.57 130.58 2ett h LYS 107 Ca -0.32 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.37 2ett h LYS 107 Cb 1.28 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2ett h LYS 107 CO 1.02 0.00 -0.34 1.49 -2.81 0.00 0.00 179.45 178.81 2ett h GLU 108 N 0.00 0.84 0.00 1.90 4.81 -1.99 -0.71 114.58 119.44 2ett h GLU 108 Ca 0.04 -0.41 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 2ett h GLU 108 Cb 0.24 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2ett h GLU 108 CO -0.00 1.04 -0.85 1.37 -0.73 0.00 0.00 179.01 179.84 2ett h LEU 109 N 0.70 0.08 -1.17 1.64 8.10 -1.53 -0.02 115.31 123.11 2ett h LEU 109 Ca 0.07 -0.07 0.09 0.00 0.11 0.00 0.00 57.88 58.08 2ett h LEU 109 Cb 0.90 -0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 41.03 2ett h LEU 109 CO 0.08 0.89 0.58 0.25 -4.11 0.00 0.00 178.44 176.14 2ett h LEU 110 N 0.03 0.85 -0.38 0.17 7.12 -0.99 0.28 115.31 122.39 2ett h LEU 110 Ca -0.02 0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.88 2ett h LEU 110 Cb 1.49 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.44 2ett h LEU 110 CO 0.12 0.52 -0.62 -0.33 -0.13 0.00 0.00 178.44 177.99 2ett h GLU 111 N 0.95 0.00 -0.37 1.25 4.39 -0.70 0.32 114.58 120.42 2ett h GLU 111 Ca 0.41 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.12 2ett h GLU 111 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2ett h GLU 111 CO -0.17 0.62 0.23 0.35 -1.16 0.00 0.00 179.01 178.88 2ett h PHE 112 N 0.00 0.43 -0.24 4.33 3.57 0.15 -2.26 116.94 122.92 2ett h PHE 112 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ett h PHE 112 Cb 1.31 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2ett h PHE 112 CO 0.00 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.62 2ett n LEU 113 N -4.86 2.89 -3.23 0.59 4.32 -1.13 -4.93 117.00 110.65 2ett n LEU 113 Ca 0.00 -2.26 -0.22 0.00 -0.02 0.00 0.00 56.01 53.51 2ett n LEU 113 Cb 0.04 -0.26 0.06 0.00 -1.62 0.00 0.00 43.42 41.64 2ett n LEU 113 CO 0.33 0.67 0.14 0.54 -1.22 0.00 0.00 177.39 177.86 2ett n ARG 114 N -0.00 -6.47 0.00 3.23 3.00 -0.85 -4.86 116.66 110.72 2ett n ARG 114 Ca 0.11 0.83 0.00 0.00 -0.01 0.00 0.00 57.85 58.78 2ett n ARG 114 Cb 0.49 -5.70 0.00 0.00 0.00 0.00 0.00 32.46 27.25 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2ett n LEU 115 N -4.43 0.00 -4.68 0.55 4.77 0.11 -4.77 117.00 108.55 2ett n LEU 115 Ca -0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2ett n LEU 115 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2ett n LEU 115 CO 0.55 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.79 2ett s ARG 116 N -1.90 4.25 -1.69 3.23 1.70 -1.26 -2.98 118.95 120.30 2ett s ARG 116 Ca 0.00 1.98 0.00 0.00 -0.47 0.00 0.00 55.73 57.24 2ett s ARG 116 Cb 0.00 -3.69 0.00 0.00 -0.57 0.00 0.00 34.95 30.69 2ett s ARG 116 CO 0.00 -0.66 0.00 -2.39 -1.08 0.00 0.00 175.30 171.17 2ett n HIS 117 N 5.93 -0.34 -1.81 5.89 1.44 -1.26 -4.97 115.22 120.11 2ett n HIS 117 Ca 0.14 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.48 2ett n HIS 117 Cb 0.43 -2.98 0.05 0.00 0.12 0.00 0.00 29.99 27.62 2ett n HIS 117 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2ett s PHE 118 N -2.43 2.22 1.19 -1.40 0.40 -1.16 -5.01 117.98 111.80 2ett s PHE 118 Ca 0.00 1.44 -0.16 0.00 -0.60 0.00 0.00 56.93 57.61 2ett s PHE 118 Cb 0.00 -3.71 0.28 0.00 0.51 0.00 0.00 43.02 40.11 2ett s PHE 118 CO 0.00 -2.80 1.04 -1.25 0.70 0.00 0.00 175.22 172.91 2ett s PRO 119 N -3.16 -1.12 0.22 0.24 0.04 -1.26 -4.33 135.00 125.64 2ett s PRO 119 Ca 0.77 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2ett s PRO 119 Cb -0.38 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2ett s PRO 119 CO 0.42 -3.75 0.13 -0.08 0.04 0.00 0.00 177.00 173.76 2ett s THR 120 N -2.65 0.14 0.27 1.26 -1.32 -1.26 -2.71 115.64 109.37 2ett s THR 120 Ca 0.68 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.27 2ett s THR 120 Cb -0.18 -2.53 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 2ett s THR 120 CO 0.60 0.00 -0.18 -1.81 -2.21 0.00 0.00 174.62 171.02 2ett s ASP 121 N -3.22 3.40 0.25 8.08 1.01 -1.26 -4.86 116.67 120.07 2ett s ASP 121 Ca 0.39 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2ett s ASP 121 Cb 0.07 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.73 2ett s ASP 121 CO 0.13 -0.01 0.00 -2.65 0.21 0.00 0.00 175.17 172.85 2ett n PRO 122 N -0.58 0.69 -0.83 8.23 -0.02 -1.26 -4.89 135.00 136.34 2ett n PRO 122 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2ett n PRO 122 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 2ett n PRO 122 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ett n LYS 123 N -0.28 -1.11 -0.02 -0.52 5.02 -1.26 -4.91 118.16 115.08 2ett n LYS 123 Ca 0.00 1.19 -0.00 0.00 -2.02 0.00 0.00 58.31 57.48 2ett n LYS 123 Cb 0.00 -0.87 -0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2ett n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ett h ALA 124 N 0.86 -0.03 -1.86 7.82 0.00 -1.95 -3.41 119.26 120.69 2ett h ALA 124 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 2ett h ALA 124 Cb 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.50 2ett h ALA 124 CO 0.00 -0.03 -0.58 -1.12 0.00 0.00 0.00 179.25 177.52 2ett s SER 125 N -4.11 0.85 -0.28 0.00 0.01 -1.26 -3.80 113.70 105.09 2ett s SER 125 Ca -0.00 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 2ett s SER 125 Cb 0.00 0.89 0.12 0.00 0.21 0.00 0.00 66.02 67.24 2ett s SER 125 CO 0.01 -0.36 0.22 0.21 0.41 0.00 0.00 173.24 173.73 2ett s ASN 126 N 2.43 2.43 -0.78 2.44 2.47 -1.00 -5.07 114.94 117.87 2ett s ASN 126 Ca 0.10 -0.95 -0.26 0.00 0.42 0.00 0.00 52.86 52.17 2ett s ASN 126 Cb -0.13 0.14 0.03 0.00 -1.45 0.00 0.00 41.25 39.84 2ett s ASN 126 CO -0.30 -0.41 1.38 0.86 -3.72 0.00 0.00 177.10 174.92 2ett s TRP 127 N 2.25 2.25 0.00 0.43 -0.00 -1.26 -4.50 118.94 118.11 2ett s TRP 127 Ca 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 56.10 56.11 2ett s TRP 127 Cb -0.15 -4.57 0.00 0.00 -0.00 0.00 0.00 33.47 28.75 2ett s TRP 127 CO -0.33 -2.07 0.00 0.41 -0.00 0.00 0.00 176.95 174.95