#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 3.23 0.00 1.61 0.00 -1.26 -4.83 115.29 114.05 2ett s HIS 2 Ca 0.00 -1.24 0.00 0.00 -3.00 0.00 0.00 55.06 50.82 2ett s HIS 2 Cb 0.00 -2.31 0.00 0.00 -4.00 0.00 0.00 32.58 26.27 2ett s HIS 2 CO 0.00 -0.68 0.00 1.58 -1.00 0.00 0.00 174.74 174.64 2ett n HIS 3 N 4.86 0.00 -2.23 0.38 -0.00 -1.26 -4.95 115.22 112.03 2ett n HIS 3 Ca -0.13 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.25 2ett n HIS 3 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 2ett n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 4 N -1.33 2.01 -0.45 1.57 2.46 -1.26 -4.57 115.29 113.73 2ett s HIS 4 Ca 0.00 0.22 0.05 0.00 0.47 0.00 0.00 55.06 55.80 2ett s HIS 4 Cb 0.00 -4.28 0.27 0.00 -0.13 0.00 0.00 32.58 28.44 2ett s HIS 4 CO 0.00 -1.93 1.04 1.58 -2.47 0.00 0.00 174.74 172.95 2ett n HIS 5 N 12.00 -2.63 -3.73 3.88 -0.00 -1.26 -5.09 115.22 118.39 2ett n HIS 5 Ca 0.31 -1.63 -0.29 0.00 -0.00 0.00 0.00 57.72 56.11 2ett n HIS 5 Cb 0.49 1.49 -0.13 0.00 -0.00 0.00 0.00 29.99 31.85 2ett n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ett s HIS 6 N 0.46 2.21 -0.50 1.57 5.65 -1.26 -4.93 115.29 118.49 2ett s HIS 6 Ca 0.28 -2.60 0.06 0.00 0.25 0.00 0.00 55.06 53.05 2ett s HIS 6 Cb 0.25 -2.00 0.20 0.00 -1.18 0.00 0.00 32.58 29.85 2ett s HIS 6 CO -0.17 -0.75 0.79 -2.39 -0.65 0.00 0.00 174.74 171.56 2ett n HIS 7 N 3.26 -3.49 -3.57 3.88 1.44 -1.26 -5.07 115.22 110.41 2ett n HIS 7 Ca 0.11 -1.34 -0.28 0.00 -2.01 0.00 0.00 57.72 54.19 2ett n HIS 7 Cb 0.35 1.46 -0.12 0.00 0.12 0.00 0.00 29.99 31.81 2ett n HIS 7 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2ett s LEU 8 N 0.67 2.10 0.19 2.39 2.96 -1.26 -5.03 118.68 120.70 2ett s LEU 8 Ca 0.30 -2.81 0.00 0.00 -0.22 0.00 0.00 54.13 51.39 2ett s LEU 8 Cb 0.04 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 45.98 2ett s LEU 8 CO -0.08 -0.22 0.00 -0.62 -1.32 0.00 0.00 176.35 174.11 2ett n GLU 9 N 3.24 -3.90 -3.52 1.98 1.02 -1.26 -1.18 120.64 117.02 2ett n GLU 9 Ca 0.18 2.87 -0.27 0.00 -0.02 0.00 0.00 57.16 59.92 2ett n GLU 9 Cb 0.40 -3.01 -0.14 0.00 -0.02 0.00 0.00 31.44 28.66 2ett n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ett s LEU 10 N -0.85 0.38 -0.17 -4.62 1.43 -1.26 -2.41 118.68 111.19 2ett s LEU 10 Ca 0.00 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2ett s LEU 10 Cb 0.00 -0.19 0.05 0.00 0.03 0.00 0.00 46.19 46.08 2ett s LEU 10 CO 0.00 -0.42 -0.02 -1.83 0.23 0.00 0.00 176.35 174.31 2ett s GLU 11 N 2.15 1.17 0.00 1.70 -1.05 -0.68 -5.01 118.70 116.98 2ett s GLU 11 Ca 0.08 -0.47 0.06 0.00 -0.15 0.00 0.00 54.97 54.48 2ett s GLU 11 Cb -0.16 -1.98 -0.02 0.00 -0.44 0.00 0.00 34.13 31.53 2ett s GLU 11 CO -0.33 -0.49 -0.17 0.08 0.95 0.00 0.00 175.26 175.30 2ett s VAL 12 N 1.70 1.39 -0.11 1.83 1.01 -1.26 -1.18 120.40 123.77 2ett s VAL 12 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2ett s VAL 12 Cb -0.16 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 35.13 2ett s VAL 12 CO -0.07 0.30 0.75 -1.38 0.00 0.00 0.00 175.10 174.70 2ett s HIS 13 N -0.53 -0.63 -0.72 5.22 -3.43 -0.50 -5.02 115.29 109.67 2ett s HIS 13 Ca 0.06 1.18 -0.12 0.00 -0.80 0.00 0.00 55.06 55.39 2ett s HIS 13 Cb -0.07 0.39 0.19 0.00 -1.43 0.00 0.00 32.58 31.66 2ett s HIS 13 CO 0.00 -0.52 0.64 0.42 -2.00 0.00 0.00 174.74 173.28 2ett s ILE 14 N -0.87 5.08 0.29 -5.38 1.01 -1.26 -0.95 121.20 119.12 2ett s ILE 14 Ca -0.07 -2.39 0.09 0.00 0.00 0.00 0.00 60.65 58.27 2ett s ILE 14 Cb -0.01 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2ett s ILE 14 CO 0.07 -0.96 1.66 1.55 0.00 0.00 0.00 174.94 177.25 2ett h PRO 15 N 7.83 0.11 -3.43 2.79 0.13 -1.93 -3.46 132.00 134.03 2ett h PRO 15 Ca 0.01 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 2ett h PRO 15 Cb 1.03 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.95 2ett h PRO 15 CO 0.79 0.61 -0.49 -1.12 -0.23 0.00 0.00 178.00 177.56 2ett s SER 16 N -6.88 -0.05 0.02 1.44 0.01 -1.25 -5.05 113.70 101.94 2ett s SER 16 Ca -0.03 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 2ett s SER 16 Cb 0.13 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 2ett s SER 16 CO 0.77 -0.28 0.08 -0.69 0.41 0.00 0.00 173.24 173.53 2ett s VAL 17 N -0.92 0.12 -0.28 3.43 1.01 -1.26 0.10 120.40 122.60 2ett s VAL 17 Ca -0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 2ett s VAL 17 Cb -0.06 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.75 2ett s VAL 17 CO 0.01 -0.53 0.72 -0.83 0.00 0.00 0.00 175.10 174.47 2ett s GLY 18 N -1.81 -0.57 -0.75 4.51 0.00 0.90 -4.98 107.32 104.63 2ett s GLY 18 Ca -0.10 2.38 -0.26 0.00 0.00 0.00 0.00 44.72 46.74 2ett s GLY 18 CO -0.02 2.24 1.78 -4.14 0.00 0.00 0.00 173.10 172.96 2ett s PRO 19 N 1.28 2.76 0.00 2.90 0.02 -1.26 -1.00 135.00 139.70 2ett s PRO 19 Ca -0.07 0.08 0.00 0.00 0.02 0.00 0.00 61.00 61.03 2ett s PRO 19 Cb -0.05 -4.64 0.00 0.00 0.02 0.00 0.00 34.50 29.83 2ett s PRO 19 CO -0.14 -2.81 0.27 -0.85 -0.33 0.00 0.00 177.00 173.15 2ett n GLU 20 N 9.09 0.00 -2.84 5.54 0.28 -1.22 -4.94 120.64 126.56 2ett n GLU 20 Ca 0.25 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.82 2ett n GLU 20 Cb 0.50 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.33 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ett s ALA 21 N 0.00 3.09 -0.21 -1.84 0.00 0.01 -4.98 121.76 117.84 2ett s ALA 21 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 2ett s ALA 21 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2ett s ALA 21 CO 0.00 -2.82 0.01 -1.83 0.00 0.00 0.00 175.76 171.12 2ett s GLU 22 N 4.16 3.64 0.00 0.00 -1.05 -1.26 -4.75 118.70 119.44 2ett s GLU 22 Ca 0.23 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2ett s GLU 22 Cb -0.16 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2ett s GLU 22 CO 0.10 0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.72 2ett n GLY 23 N 4.29 0.42 3.69 -3.83 0.00 -1.26 -5.16 105.19 103.34 2ett n GLY 23 Ca -0.17 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2ett n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ett s PRO 24 N 0.00 -0.52 0.00 1.61 0.02 -1.26 -5.08 135.00 129.77 2ett s PRO 24 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2ett s PRO 24 Cb 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2ett s PRO 24 CO 0.00 -3.24 0.00 0.54 -0.33 0.00 0.00 177.00 173.97 2ett n ARG 25 N -4.42 2.94 -1.65 5.54 1.74 -1.26 -4.95 116.66 114.61 2ett n ARG 25 Ca 0.13 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.76 2ett n ARG 25 Cb 0.59 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.00 2ett n ARG 25 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ett n GLN 26 N 0.00 2.45 -3.79 5.56 0.00 -1.26 -4.94 117.38 115.40 2ett n GLN 26 Ca 0.00 0.87 -0.36 0.00 -0.00 0.00 0.00 57.00 57.51 2ett n GLN 26 Cb 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 30.24 27.21 2ett n GLN 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2ett s SER 27 N 5.03 5.12 0.53 1.69 0.15 -1.26 -4.96 113.70 120.00 2ett s SER 27 Ca 0.93 -0.19 0.33 0.00 0.70 0.00 0.00 55.95 57.71 2ett s SER 27 Cb -0.52 -1.92 1.31 0.00 -1.71 0.00 0.00 66.02 63.19 2ett s SER 27 CO 0.45 -0.02 1.96 1.55 1.20 0.00 0.00 173.24 178.38 2ett h PRO 28 N 8.11 0.00 0.07 5.44 0.13 -2.01 -2.75 132.00 140.99 2ett h PRO 28 Ca -0.38 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.45 2ett h PRO 28 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2ett h PRO 28 CO 0.59 0.00 -1.57 0.93 -0.23 0.00 0.00 178.00 177.71 2ett h GLU 29 N 0.00 0.14 0.00 0.86 4.39 -1.94 -3.48 114.58 114.55 2ett h GLU 29 Ca 0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2ett h GLU 29 Cb 0.52 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2ett h GLU 29 CO 0.00 0.91 0.00 1.63 -1.16 0.00 0.00 179.01 180.39 2ett n LYS 30 N -3.31 0.00 -2.71 2.33 5.02 -1.04 -4.82 118.16 113.63 2ett n LYS 30 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 2ett n LYS 30 Cb 1.03 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.24 6.46 -0.30 4.39 0.01 -1.26 -4.77 113.70 114.99 2ett s SER 31 Ca 0.00 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 55.83 2ett s SER 31 Cb 0.00 -2.50 0.37 0.00 0.21 0.00 0.00 66.02 64.11 2ett s SER 31 CO 0.00 -1.41 1.65 0.00 0.41 0.00 0.00 173.24 173.90 2ett n HIS 32 N 8.09 1.87 -3.69 2.43 1.44 -1.26 -3.30 115.22 120.79 2ett n HIS 32 Ca 0.22 -1.50 -0.33 0.00 -2.01 0.00 0.00 57.72 54.09 2ett n HIS 32 Cb 0.49 -0.76 -0.05 0.00 0.12 0.00 0.00 29.99 29.80 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 -2.05 3.63 -0.02 -1.40 0.00 -1.26 -0.81 119.30 117.40 2ett s MET 33 Ca 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 55.69 56.01 2ett s MET 33 Cb 0.29 -2.96 0.01 0.00 0.00 0.00 0.00 34.83 32.17 2ett s MET 33 CO 0.05 0.55 -0.03 0.54 0.00 0.00 0.00 175.02 176.13 2ett s VAL 34 N -1.48 0.31 0.09 10.11 0.11 -0.17 -0.60 120.40 128.77 2ett s VAL 34 Ca 0.35 -0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.41 2ett s VAL 34 Cb -0.13 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2ett s VAL 34 CO 0.21 0.13 -0.22 0.72 -3.33 0.00 0.00 175.10 172.60 2ett s PHE 35 N 0.44 2.43 -0.54 1.54 -0.12 -1.00 -0.07 117.98 120.66 2ett s PHE 35 Ca -0.05 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.33 2ett s PHE 35 Cb -0.08 -1.35 0.10 0.00 -0.63 0.00 0.00 43.02 41.06 2ett s PHE 35 CO -0.01 0.30 0.56 1.03 -0.05 0.00 0.00 175.22 177.06 2ett s ARG 36 N -1.81 3.03 -0.00 1.99 3.00 0.11 -0.28 118.95 124.99 2ett s ARG 36 Ca 0.15 -1.37 -0.19 0.00 0.00 0.00 0.00 55.73 54.31 2ett s ARG 36 Cb -0.10 -4.22 -0.06 0.00 0.00 0.00 0.00 34.95 30.57 2ett s ARG 36 CO 0.06 -1.32 0.55 0.14 0.00 0.00 0.00 175.30 174.73 2ett s VAL 37 N 2.13 4.93 -0.23 3.52 -7.23 -0.03 -3.31 120.40 120.18 2ett s VAL 37 Ca 0.08 1.14 0.01 0.00 -1.81 0.00 0.00 61.98 61.40 2ett s VAL 37 Cb -0.25 -3.88 0.06 0.00 0.56 0.00 0.00 36.38 32.87 2ett s VAL 37 CO 0.06 0.46 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.56 2ett s GLU 38 N -0.39 1.58 -0.28 4.82 2.12 -0.12 0.19 118.70 126.62 2ett s GLU 38 Ca 0.29 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 54.61 2ett s GLU 38 Cb -0.18 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.67 2ett s GLU 38 CO 0.16 -0.59 0.06 0.08 -0.54 0.00 0.00 175.26 174.43 2ett s VAL 39 N 1.42 3.90 -0.25 3.70 1.01 -0.75 -1.42 120.40 128.02 2ett s VAL 39 Ca -0.05 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2ett s VAL 39 Cb -0.19 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2ett s VAL 39 CO -0.06 0.15 0.16 -0.22 0.00 0.00 0.00 175.10 175.12 2ett s LEU 40 N 1.50 4.02 -0.09 3.92 0.20 -0.33 -1.17 118.68 126.74 2ett s LEU 40 Ca 0.03 0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 2ett s LEU 40 Cb -0.17 -2.09 0.04 0.00 -0.43 0.00 0.00 46.19 43.55 2ett s LEU 40 CO 0.02 0.03 0.20 0.00 -0.29 0.00 0.00 176.35 176.31 2ett n SER 42 N 4.09 -5.19 0.00 0.00 7.64 -0.32 -1.74 113.62 118.09 2ett n SER 42 Ca -0.24 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2ett n SER 42 Cb 0.53 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 60.07 2ett n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ett n GLY 43 N -0.49 1.82 3.77 0.23 0.00 -1.26 -5.03 105.19 104.24 2ett n GLY 43 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.10 4.07 -0.23 1.61 0.52 -0.71 -5.06 118.95 119.04 2ett s ARG 44 Ca 0.00 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 2ett s ARG 44 Cb 0.00 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.14 2ett s ARG 44 CO 0.00 0.42 -0.06 -0.98 0.02 0.00 0.00 175.30 174.70 2ett s ARG 45 N -0.11 3.11 -0.29 3.54 1.70 -1.26 -0.43 118.95 125.21 2ett s ARG 45 Ca 0.19 -0.80 -0.08 0.00 -0.47 0.00 0.00 55.73 54.57 2ett s ARG 45 Cb -0.14 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.26 2ett s ARG 45 CO 0.07 -0.29 0.11 -3.38 -1.08 0.00 0.00 175.30 170.73 2ett s HIS 46 N 1.40 3.14 -0.47 5.89 -3.43 -0.31 -4.77 115.29 116.74 2ett s HIS 46 Ca 0.03 -0.60 -0.18 0.00 -0.80 0.00 0.00 55.06 53.51 2ett s HIS 46 Cb -0.15 -2.30 0.04 0.00 -1.43 0.00 0.00 32.58 28.74 2ett s HIS 46 CO -0.04 -0.45 0.54 0.99 -2.00 0.00 0.00 174.74 173.78 2ett s THR 47 N 1.59 4.97 -0.21 -5.38 2.01 -1.26 -1.81 115.64 115.55 2ett s THR 47 Ca 0.05 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.63 2ett s THR 47 Cb -0.16 -4.19 0.04 0.00 0.01 0.00 0.00 72.50 68.20 2ett s THR 47 CO 0.05 -0.63 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.51 2ett s VAL 48 N 2.39 1.98 -0.25 3.82 1.01 0.13 -4.92 120.40 124.56 2ett s VAL 48 Ca 0.14 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2ett s VAL 48 Cb -0.18 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2ett s VAL 48 CO 0.13 0.23 1.30 -2.84 0.00 0.00 0.00 175.10 173.92 2ett s PRO 49 N 1.25 4.03 -0.03 2.72 0.02 -1.26 -0.85 135.00 140.88 2ett s PRO 49 Ca -0.02 1.42 -0.01 0.00 0.02 0.00 0.00 61.00 62.41 2ett s PRO 49 Cb -0.16 -3.84 0.03 0.00 0.02 0.00 0.00 34.50 30.54 2ett s PRO 49 CO -0.09 -0.97 0.06 0.50 -0.33 0.00 0.00 177.00 176.17 2ett s ARG 50 N 3.94 0.01 0.34 5.54 6.06 0.62 -4.94 118.95 130.51 2ett s ARG 50 Ca 0.56 0.21 -0.29 0.00 -2.50 0.00 0.00 55.73 53.72 2ett s ARG 50 Cb -0.19 -0.18 -0.12 0.00 0.06 0.00 0.00 34.95 34.52 2ett s ARG 50 CO 0.20 -0.14 1.49 -2.13 -2.50 0.00 0.00 175.30 172.23 2ett n ARG 51 N 3.99 2.58 -0.28 5.12 0.63 -1.26 -2.38 116.66 125.06 2ett n ARG 51 Ca -0.25 0.91 0.12 0.00 -0.92 0.00 0.00 57.85 57.71 2ett n ARG 51 Cb 0.52 -2.63 0.37 0.00 0.45 0.00 0.00 32.46 31.17 2ett n ARG 51 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2ett h TYR 52 N 3.59 0.84 -0.85 -0.14 5.03 -1.01 -1.50 116.97 122.92 2ett h TYR 52 Ca -0.49 0.02 0.11 0.00 2.58 0.00 0.00 58.73 60.96 2ett h TYR 52 Cb 1.24 -0.26 -0.06 0.00 1.55 0.00 0.00 36.73 39.20 2ett h TYR 52 CO 0.55 0.30 0.55 1.03 -1.32 0.00 0.00 178.16 179.27 2ett h SER 53 N 0.70 0.69 -0.01 -2.11 0.87 -1.81 0.18 113.55 112.07 2ett h SER 53 Ca 0.46 0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.82 2ett h SER 53 Cb 0.75 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2ett h SER 53 CO -0.22 0.39 -0.87 -0.33 -0.53 0.00 0.00 176.83 175.27 2ett h GLU 54 N 0.76 0.61 -0.45 2.24 5.08 -1.61 -2.54 114.58 118.66 2ett h GLU 54 Ca 0.41 -0.64 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2ett h GLU 54 Cb 0.53 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2ett h GLU 54 CO -0.17 1.25 0.03 0.74 -1.00 0.00 0.00 179.01 179.86 2ett h PHE 55 N 0.23 0.75 -0.25 4.33 -1.00 -1.06 0.14 116.94 120.08 2ett h PHE 55 Ca -0.11 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.53 2ett h PHE 55 Cb 1.54 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.88 2ett h PHE 55 CO 0.12 0.69 -0.07 1.25 -1.61 0.00 0.00 178.31 178.68 2ett h HIS 56 N 0.68 0.56 -0.60 -0.55 2.76 -0.72 -0.19 115.15 117.10 2ett h HIS 56 Ca 0.14 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2ett h HIS 56 Cb 0.38 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2ett h HIS 56 CO 0.02 0.73 0.26 0.00 -1.30 0.00 0.00 177.93 177.64 2ett h ALA 57 N 0.76 0.78 -0.21 5.26 0.00 -1.23 -0.59 119.26 124.02 2ett h ALA 57 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ett h ALA 57 Cb 0.55 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2ett h ALA 57 CO 0.03 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.87 2ett h LEU 58 N 0.83 -0.15 -0.73 0.00 5.85 -0.63 -1.62 115.31 118.85 2ett h LEU 58 Ca 0.20 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 2ett h LEU 58 Cb 0.17 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ett h LEU 58 CO -0.02 -0.05 -0.39 -0.74 -0.34 0.00 0.00 178.44 176.91 2ett h HIS 59 N 0.03 0.62 -0.66 1.25 2.76 -0.77 -2.08 115.15 116.29 2ett h HIS 59 Ca 0.10 -0.17 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 2ett h HIS 59 Cb 0.14 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2ett h HIS 59 CO -0.21 0.83 0.22 0.87 -1.30 0.00 0.00 177.93 178.35 2ett h LYS 60 N 0.44 1.00 0.10 5.26 1.79 -0.75 -2.01 116.57 122.40 2ett h LYS 60 Ca 0.04 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2ett h LYS 60 Cb 0.87 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2ett h LYS 60 CO 0.07 0.85 -0.05 0.00 -1.08 0.00 0.00 179.45 179.25 2ett h ARG 61 N 0.97 -0.13 0.00 3.15 3.08 -0.99 -3.30 114.38 117.16 2ett h ARG 61 Ca 0.22 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2ett h ARG 61 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2ett h ARG 61 CO -0.01 0.39 0.00 -0.84 -1.07 0.00 0.00 179.97 178.44 2ett h ILE 62 N -0.83 0.00 0.00 2.04 3.07 -1.44 -2.66 117.51 117.69 2ett h ILE 62 Ca -0.01 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.98 2ett h ILE 62 Cb 0.58 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2ett h ILE 62 CO 0.02 0.00 0.00 0.07 -1.05 0.00 0.00 178.15 177.19 2ett h LYS 63 N 0.00 0.00 -0.00 0.16 5.09 -1.44 0.34 116.57 120.72 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 0.45 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.78 2ett h LYS 63 CO 0.00 0.00 -0.69 1.17 -2.09 0.00 0.00 179.45 177.84 2ett n LYS 64 N -2.99 0.06 -0.10 0.07 4.81 -1.01 -4.55 118.16 114.45 2ett n LYS 64 Ca 0.01 -0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.25 2ett n LYS 64 Cb 0.30 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.80 2ett n LYS 64 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2ett n LEU 65 N -1.43 1.94 0.00 3.14 0.00 0.28 -5.08 117.00 115.84 2ett n LEU 65 Ca 0.05 0.34 -0.10 0.00 0.00 0.00 0.00 56.01 56.30 2ett n LEU 65 Cb 0.34 -0.77 -0.03 0.00 0.00 0.00 0.00 43.42 42.95 2ett n LEU 65 CO 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 177.39 177.69 2ett n TYR 66 N -4.40 -0.13 -1.67 1.96 4.11 0.93 -5.08 117.16 112.88 2ett n TYR 66 Ca -0.26 -1.21 -0.43 0.00 -0.00 0.00 0.00 57.90 56.00 2ett n TYR 66 Cb 0.62 0.06 -0.03 0.00 -0.00 0.00 0.00 39.34 39.99 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 -2.66 3.42 -0.10 -3.48 1.02 -1.26 -4.51 119.74 112.17 2ett s LYS 67 Ca 0.13 2.12 -0.05 0.00 0.02 0.00 0.00 55.97 58.19 2ett s LYS 67 Cb 0.01 -4.30 0.05 0.00 -0.52 0.00 0.00 37.83 33.07 2ett s LYS 67 CO 0.09 -1.77 0.24 0.08 -0.92 0.00 0.00 175.35 173.07 2ett s VAL 68 N 7.13 -0.07 -0.60 3.17 1.01 -1.26 -4.78 120.40 124.99 2ett s VAL 68 Ca 0.95 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 2ett s VAL 68 Cb -0.34 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2ett s VAL 68 CO 0.36 0.07 1.20 -2.16 0.00 0.00 0.00 175.10 174.57 2ett s PRO 69 N 1.37 3.46 0.18 2.72 0.04 -1.26 -4.92 135.00 136.60 2ett s PRO 69 Ca -0.08 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2ett s PRO 69 Cb -0.11 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2ett s PRO 69 CO -0.08 -1.75 0.00 -3.47 0.04 0.00 0.00 177.00 171.74 2ett n ASP 70 N 8.56 -0.00 -4.15 6.66 2.03 -1.26 -4.82 116.55 123.56 2ett n ASP 70 Ca 0.08 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.26 2ett n ASP 70 Cb 0.49 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 2ett n ASP 70 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2ett s PHE 71 N 0.00 0.93 0.50 -0.67 -0.71 -1.26 -4.93 117.98 111.84 2ett s PHE 71 Ca 0.00 -0.72 -0.15 0.00 -1.04 0.00 0.00 56.93 55.01 2ett s PHE 71 Cb 0.00 -0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 41.21 2ett s PHE 71 CO 0.00 -0.07 0.95 -2.14 -1.34 0.00 0.00 175.22 172.62 2ett s PRO 72 N -2.98 3.89 0.01 1.99 0.02 -1.26 -5.01 135.00 131.66 2ett s PRO 72 Ca 0.05 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 61.62 2ett s PRO 72 Cb -0.01 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 2ett s PRO 72 CO -0.02 -0.25 1.42 0.45 -0.33 0.00 0.00 177.00 178.27 2ett s SER 73 N -3.17 6.83 0.15 2.53 0.15 -1.26 -4.90 113.70 114.03 2ett s SER 73 Ca 0.57 2.15 0.04 0.00 0.70 0.00 0.00 55.95 59.42 2ett s SER 73 Cb -0.10 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.58 2ett s SER 73 CO 0.33 -0.73 1.34 0.07 1.20 0.00 0.00 173.24 175.46 2ett h LYS 74 N 7.81 0.10 -4.79 5.44 2.10 -1.95 -3.41 116.57 121.87 2ett h LYS 74 Ca -0.38 -0.14 -0.70 0.00 -2.00 0.00 0.00 60.65 57.43 2ett h LYS 74 Cb 1.18 0.04 -0.19 0.00 -0.90 0.00 0.00 32.23 32.36 2ett h LYS 74 CO 0.90 0.96 -0.16 0.50 -2.00 0.00 0.00 179.45 179.65 2ett s ARG 75 N -3.00 3.08 0.05 0.07 3.00 -1.26 -4.83 118.95 116.06 2ett s ARG 75 Ca -0.01 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.73 53.78 2ett s ARG 75 Cb 0.10 -4.03 -0.03 0.00 0.00 0.00 0.00 34.95 30.99 2ett s ARG 75 CO 0.82 -0.99 0.03 -0.51 0.00 0.00 0.00 175.30 174.66 2ett s LEU 76 N 2.18 2.17 0.96 -0.88 1.43 -1.26 -5.16 118.68 118.12 2ett s LEU 76 Ca 0.11 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 2ett s LEU 76 Cb -0.19 0.42 0.08 0.00 0.03 0.00 0.00 46.19 46.53 2ett s LEU 76 CO 0.12 -0.60 0.63 -2.65 0.23 0.00 0.00 176.35 174.08 2ett n PRO 77 N 0.24 -0.50 0.33 1.29 -0.02 -1.26 -4.83 135.00 130.24 2ett n PRO 77 Ca -0.15 -0.10 0.21 0.00 -2.02 0.00 0.00 63.50 61.43 2ett n PRO 77 Cb 0.61 -2.02 1.10 0.00 -0.02 0.00 0.00 33.50 33.17 2ett n PRO 77 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2ett h ASN 78 N -1.74 0.00 0.00 2.55 -1.24 -2.00 -3.45 115.58 109.69 2ett h ASN 78 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 2ett h ASN 78 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2ett h ASN 78 CO 0.37 0.00 0.00 1.87 -1.29 0.00 0.00 177.43 178.38 2ett n TRP 79 N -3.00 0.00 0.18 0.67 -0.00 -1.26 -4.69 117.44 109.34 2ett n TRP 79 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.51 2ett n TRP 79 Cb 0.15 -0.16 0.32 0.00 -0.00 0.00 0.00 31.31 31.61 2ett n TRP 79 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 2ett h ARG 80 N 1.05 0.00 0.00 5.87 9.65 -1.93 -2.53 114.38 126.49 2ett h ARG 80 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ett h ARG 80 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2ett h ARG 80 CO 0.00 0.42 0.00 1.15 2.80 0.00 0.00 179.97 184.34 2ett h THR 81 N 0.00 0.00 -4.73 0.20 2.02 -1.98 -3.46 112.91 104.97 2ett h THR 81 Ca -0.00 -0.34 -0.50 0.00 0.77 0.00 0.00 66.41 66.34 2ett h THR 81 Cb 0.88 1.17 -0.10 0.00 -1.74 0.00 0.00 68.15 68.36 2ett h THR 81 CO 0.05 0.00 -0.38 0.54 0.37 0.00 0.00 175.52 176.11 2ett n ARG 82 N -2.39 0.91 -4.07 6.66 1.74 -0.95 -5.14 116.66 113.42 2ett n ARG 82 Ca 0.03 -2.86 -0.33 0.00 -0.77 0.00 0.00 57.85 53.92 2ett n ARG 82 Cb 0.29 1.01 -0.07 0.00 -1.02 0.00 0.00 32.46 32.68 2ett n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ett s GLY 83 N -3.13 2.04 0.17 -0.13 0.00 -1.26 -4.99 107.32 100.01 2ett s GLY 83 Ca 0.05 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 44.00 2ett s GLY 83 CO 0.04 -0.77 1.32 1.04 0.00 0.00 0.00 173.10 174.72 2ett n LEU 84 N 1.04 0.29 -0.18 0.66 7.99 -1.26 -4.19 117.00 121.34 2ett n LEU 84 Ca -0.12 0.61 -0.02 0.00 -0.01 0.00 0.00 56.01 56.47 2ett n LEU 84 Cb 0.52 -0.64 0.04 0.00 -0.11 0.00 0.00 43.42 43.23 2ett n LEU 84 CO 0.40 -0.71 0.75 -0.33 -1.51 0.00 0.00 177.39 175.98 2ett h GLU 85 N 0.00 -0.02 0.01 3.23 5.08 -1.98 0.29 114.58 121.20 2ett h GLU 85 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ett h GLU 85 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ett h GLU 85 CO 0.00 -0.01 -0.01 1.96 -1.00 0.00 0.00 179.01 179.95 2ett h GLN 86 N -0.02 -0.02 -0.14 2.33 4.20 -2.00 -2.72 115.11 116.75 2ett h GLN 86 Ca 0.26 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.83 2ett h GLN 86 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2ett h GLN 86 CO -0.57 0.48 -0.45 -0.09 -0.67 0.00 0.00 178.83 177.53 2ett h ARG 87 N -0.53 0.55 -0.79 1.46 2.43 -1.68 -2.38 114.38 113.44 2ett h ARG 87 Ca -0.00 -0.41 0.06 0.00 -0.81 0.00 0.00 59.98 58.82 2ett h ARG 87 Cb 0.51 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 2ett h ARG 87 CO 0.00 1.03 0.48 -0.09 -1.51 0.00 0.00 179.97 179.88 2ett h ARG 88 N 0.18 0.86 -0.36 0.20 2.43 -0.59 -1.34 114.38 115.76 2ett h ARG 88 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2ett h ARG 88 Cb 1.07 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 2ett h ARG 88 CO 0.10 0.57 0.17 0.37 -1.51 0.00 0.00 179.97 179.67 2ett h GLN 89 N 0.89 0.50 0.15 0.20 4.15 -1.30 0.26 115.11 119.96 2ett h GLN 89 Ca 0.35 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 2ett h GLN 89 Cb 0.15 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2ett h GLN 89 CO -0.17 0.40 -0.07 0.78 -1.93 0.00 0.00 178.83 177.84 2ett h GLY 90 N 0.62 -0.21 1.21 2.39 0.00 -0.72 0.72 103.07 107.09 2ett h GLY 90 Ca 0.13 0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 2ett h GLY 90 CO -0.02 -0.08 -0.41 1.41 0.00 0.00 0.00 176.54 177.44 2ett h LEU 91 N -0.22 0.92 -1.11 3.11 -0.00 -1.15 -1.62 115.31 115.24 2ett h LEU 91 Ca -0.02 -0.43 0.08 0.00 -0.00 0.00 0.00 57.88 57.51 2ett h LEU 91 Cb 0.17 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 40.51 2ett h LEU 91 CO 0.03 1.21 0.61 -0.08 -0.00 0.00 0.00 178.44 180.21 2ett h GLU 92 N 0.70 1.00 0.01 1.13 4.57 -0.36 0.18 114.58 121.81 2ett h GLU 92 Ca 0.05 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ett h GLU 92 Cb 0.99 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2ett h GLU 92 CO 0.10 0.66 -0.00 0.00 -1.18 0.00 0.00 179.01 178.58 2ett h ALA 93 N 1.51 -0.01 -0.36 2.92 0.00 -0.64 -2.58 119.26 120.10 2ett h ALA 93 Ca 0.42 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ett h ALA 93 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ett h ALA 93 CO -0.18 -0.12 -0.05 1.88 0.00 0.00 0.00 179.25 180.78 2ett h TYR 94 N -0.78 0.75 -0.30 0.00 -1.99 -1.00 0.43 116.97 114.09 2ett h TYR 94 Ca -0.00 -0.15 -0.18 0.00 2.00 0.00 0.00 58.73 60.40 2ett h TYR 94 Cb 0.75 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 2ett h TYR 94 CO 0.19 0.81 -0.51 0.82 -0.00 0.00 0.00 178.16 179.46 2ett h ILE 95 N 0.48 1.28 -0.15 -2.88 1.08 -0.79 -2.75 117.51 113.77 2ett h ILE 95 Ca 0.10 -1.70 -0.07 0.00 -0.39 0.00 0.00 64.86 62.80 2ett h ILE 95 Cb 0.54 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 2ett h ILE 95 CO 0.03 0.56 -0.21 -0.61 -0.69 0.00 0.00 178.15 177.23 2ett h GLN 96 N 0.66 0.25 0.17 2.37 5.75 -1.40 -2.10 115.11 120.81 2ett h GLN 96 Ca 0.02 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2ett h GLN 96 Cb 1.11 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 2ett h GLN 96 CO 0.11 0.46 -0.27 0.78 -2.65 0.00 0.00 178.83 177.26 2ett h GLY 97 N 0.89 -0.53 2.00 2.39 0.00 -0.63 -0.22 103.07 106.97 2ett h GLY 97 Ca 0.04 0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 2ett h GLY 97 CO 0.03 -0.23 -0.21 0.16 0.00 0.00 0.00 176.54 176.29 2ett h ILE 98 N -0.51 0.85 0.00 2.60 3.07 -1.32 0.24 117.51 122.44 2ett h ILE 98 Ca 0.02 -0.83 -0.05 0.00 1.55 0.00 0.00 64.86 65.54 2ett h ILE 98 Cb 0.51 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 2ett h ILE 98 CO -0.12 0.21 -0.26 -0.07 -1.05 0.00 0.00 178.15 176.86 2ett h LEU 99 N 0.00 0.00 0.00 0.16 3.38 -0.75 -2.94 115.31 115.16 2ett h LEU 99 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2ett h LEU 99 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2ett h LEU 99 CO 0.03 0.26 -2.16 0.00 0.09 0.00 0.00 178.44 176.66 2ett n TYR 100 N -3.69 0.30 0.36 1.13 9.36 -0.15 -4.39 117.16 120.09 2ett n TYR 100 Ca -0.01 0.11 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 2ett n TYR 100 Cb 0.37 -1.04 -0.08 0.00 -0.63 0.00 0.00 39.34 37.97 2ett n TYR 100 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2ett h LEU 101 N 0.00 -0.79 0.00 2.98 3.38 -0.39 -3.47 115.31 117.03 2ett h LEU 101 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2ett h LEU 101 Cb 2.12 0.20 0.00 0.00 0.09 0.00 0.00 40.66 43.07 2ett h LEU 101 CO 0.04 -0.46 0.00 -3.20 0.09 0.00 0.00 178.44 174.92 2ett n ASN 102 N -5.43 -0.40 -0.06 -0.43 5.15 -1.17 -5.03 115.26 107.88 2ett n ASN 102 Ca -0.13 0.23 -0.06 0.00 -0.60 0.00 0.00 54.58 54.02 2ett n ASN 102 Cb 0.39 0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 40.12 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 -2.89 0.39 -1.13 1.20 10.64 -1.26 -5.09 117.38 119.24 2ett n GLN 103 Ca 0.00 0.20 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 2ett n GLN 103 Cb 0.00 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 2ett n GLN 103 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2ett n GLU 104 N -3.97 0.00 -2.44 2.61 2.13 -1.23 -5.00 120.64 112.74 2ett n GLU 104 Ca -0.10 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.30 2ett n GLU 104 Cb 0.36 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 2ett n GLU 104 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ett s VAL 105 N -3.61 4.02 -0.29 6.31 0.11 -1.26 -3.83 120.40 121.85 2ett s VAL 105 Ca 0.00 1.50 -0.27 0.00 -2.93 0.00 0.00 61.98 60.28 2ett s VAL 105 Cb 0.00 -3.96 -0.11 0.00 -1.53 0.00 0.00 36.38 30.78 2ett s VAL 105 CO 0.00 0.14 1.02 -2.65 -3.33 0.00 0.00 175.10 170.29 2ett n PRO 106 N 3.62 0.00 0.32 1.54 -0.01 -1.26 -4.81 135.00 134.40 2ett n PRO 106 Ca 0.08 0.00 0.21 0.00 -0.01 0.00 0.00 63.50 63.77 2ett n PRO 106 Cb 0.46 -0.87 1.08 0.00 -0.01 0.00 0.00 33.50 34.16 2ett n PRO 106 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 2ett h LYS 107 N 3.60 0.00 -0.82 -0.52 3.11 -2.00 0.67 116.57 120.62 2ett h LYS 107 Ca -0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 2ett h LYS 107 Cb 0.80 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.99 2ett h LYS 107 CO 0.59 0.01 0.52 1.49 -2.81 0.00 0.00 179.45 179.24 2ett h GLU 108 N 0.00 1.10 0.00 1.90 4.81 -2.00 -2.00 114.58 118.39 2ett h GLU 108 Ca -0.00 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 2ett h GLU 108 Cb 0.12 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2ett h GLU 108 CO 0.00 0.75 -0.70 1.37 -0.73 0.00 0.00 179.01 179.70 2ett h LEU 109 N 1.12 0.00 -0.60 1.64 8.10 -1.21 -0.10 115.31 124.26 2ett h LEU 109 Ca 0.30 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.41 2ett h LEU 109 Cb -0.08 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.05 2ett h LEU 109 CO -0.06 0.70 0.09 0.25 -4.11 0.00 0.00 178.44 175.31 2ett h LEU 110 N 0.00 -0.08 -0.35 0.17 5.85 -1.17 0.35 115.31 120.08 2ett h LEU 110 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ett h LEU 110 Cb 1.35 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2ett h LEU 110 CO 0.09 -0.03 0.00 -0.33 -0.34 0.00 0.00 178.44 177.83 2ett h GLU 111 N 0.21 0.00 -0.28 1.25 5.08 -1.19 0.53 114.58 120.19 2ett h GLU 111 Ca 0.32 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 2ett h GLU 111 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ett h GLU 111 CO -0.44 0.00 -0.49 0.35 -1.00 0.00 0.00 179.01 177.43 2ett h PHE 112 N 0.00 1.04 -0.39 4.33 3.57 0.16 -3.00 116.94 122.65 2ett h PHE 112 Ca 0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2ett h PHE 112 Cb 0.85 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2ett h PHE 112 CO 0.00 1.18 0.00 1.28 -2.23 0.00 0.00 178.31 178.54 2ett n LEU 113 N -4.07 3.67 -2.24 0.59 4.32 -0.52 -4.91 117.00 113.84 2ett n LEU 113 Ca -0.04 -2.45 -0.18 0.00 -0.02 0.00 0.00 56.01 53.31 2ett n LEU 113 Cb 0.60 -0.42 0.01 0.00 -1.62 0.00 0.00 43.42 41.99 2ett n LEU 113 CO 0.49 0.73 -0.15 -1.14 -1.22 0.00 0.00 177.39 176.10 2ett n ARG 114 N 0.30 -2.38 0.29 3.23 0.63 -1.14 -4.87 116.66 112.72 2ett n ARG 114 Ca 0.18 0.84 0.17 0.00 -0.92 0.00 0.00 57.85 58.12 2ett n ARG 114 Cb 0.69 -5.37 0.82 0.00 0.45 0.00 0.00 32.46 29.05 2ett n ARG 114 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2ett h LEU 115 N -0.41 0.00 -9.42 6.15 3.38 -0.25 -3.43 115.31 111.33 2ett h LEU 115 Ca -0.44 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.95 2ett h LEU 115 Cb 1.32 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.11 2ett h LEU 115 CO 0.50 0.05 0.96 -1.14 0.09 0.00 0.00 178.44 178.90 2ett n ARG 116 N -3.28 2.26 -2.35 1.13 0.63 -0.21 -2.88 116.66 111.96 2ett n ARG 116 Ca -0.01 0.82 -0.04 0.00 -0.92 0.00 0.00 57.85 57.70 2ett n ARG 116 Cb 0.24 -2.64 0.01 0.00 0.45 0.00 0.00 32.46 30.51 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 4.95 -2.29 -3.58 -0.14 -0.00 -1.26 -5.00 115.22 107.89 2ett n HIS 117 Ca 0.19 0.94 -0.41 0.00 -0.00 0.00 0.00 57.72 58.45 2ett n HIS 117 Cb 0.30 -3.15 -0.09 0.00 -0.00 0.00 0.00 29.99 27.05 2ett n HIS 117 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2ett s PHE 118 N -1.86 3.36 0.48 1.57 5.36 -1.14 -4.94 117.98 120.82 2ett s PHE 118 Ca 0.13 -1.61 0.39 0.00 -0.96 0.00 0.00 56.93 54.88 2ett s PHE 118 Cb -0.04 -3.12 2.01 0.00 -0.34 0.00 0.00 43.02 41.53 2ett s PHE 118 CO 0.49 -0.89 2.23 -1.35 -1.46 0.00 0.00 175.22 174.24 2ett h PRO 119 N 8.43 0.00 -3.54 10.12 0.11 -1.94 -3.48 132.00 141.70 2ett h PRO 119 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ett h PRO 119 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2ett h PRO 119 CO 0.79 0.01 -0.48 2.41 -0.21 0.00 0.00 178.00 180.53 2ett n THR 120 N -3.18 -6.00 -4.00 -1.15 -1.04 -1.26 -5.05 114.28 92.60 2ett n THR 120 Ca -0.02 0.87 -0.31 0.00 -2.04 0.00 0.00 64.05 62.55 2ett n THR 120 Cb 0.15 -4.40 -0.15 0.00 -1.82 0.00 0.00 70.33 64.11 2ett n THR 120 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2ett s ASP 121 N -0.20 4.27 0.82 8.00 -4.77 -1.26 -5.13 116.67 118.40 2ett s ASP 121 Ca -0.08 -1.46 -0.08 0.00 -3.30 0.00 0.00 52.55 47.63 2ett s ASP 121 Cb 0.01 -1.40 0.15 0.00 -1.09 0.00 0.00 42.92 40.59 2ett s ASP 121 CO 0.23 -0.25 1.13 -2.16 0.70 0.00 0.00 175.17 174.82 2ett s PRO 122 N 1.20 1.29 -0.76 2.11 0.04 -1.26 -4.90 135.00 132.72 2ett s PRO 122 Ca -0.04 -0.74 0.03 0.00 0.04 0.00 0.00 61.00 60.29 2ett s PRO 122 Cb -0.19 -2.11 0.18 0.00 0.04 0.00 0.00 34.50 32.42 2ett s PRO 122 CO -0.07 -1.83 0.57 0.21 0.04 0.00 0.00 177.00 175.92 2ett s LYS 123 N -5.46 2.69 -1.02 4.56 2.20 -1.26 -5.02 119.74 116.43 2ett s LYS 123 Ca 0.69 -3.34 -0.18 0.00 -0.36 0.00 0.00 55.97 52.78 2ett s LYS 123 Cb -0.05 -3.57 0.13 0.00 -1.51 0.00 0.00 37.83 32.83 2ett s LYS 123 CO 0.48 -1.28 1.25 0.00 -0.36 0.00 0.00 175.35 175.43 2ett s ALA 124 N -1.45 3.46 0.00 3.13 0.00 -1.26 -4.72 121.76 120.92 2ett s ALA 124 Ca 0.26 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.34 2ett s ALA 124 Cb -0.05 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2ett s ALA 124 CO -0.16 -2.99 0.00 0.45 0.00 0.00 0.00 175.76 173.06 2ett n SER 125 N 6.58 0.00 -4.38 0.00 2.88 -1.26 -5.11 113.62 112.33 2ett n SER 125 Ca 0.29 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.38 2ett n SER 125 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2ett n SER 125 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ett s ASN 126 N 0.00 6.27 -0.63 -3.46 3.84 -1.26 -4.99 114.94 114.70 2ett s ASN 126 Ca 0.00 -1.55 -0.23 0.00 0.21 0.00 0.00 52.86 51.29 2ett s ASN 126 Cb 0.00 -2.31 0.06 0.00 -0.55 0.00 0.00 41.25 38.45 2ett s ASN 126 CO 0.00 -1.10 0.96 0.86 -2.79 0.00 0.00 177.10 175.03 2ett s TRP 127 N 2.62 2.69 0.00 0.43 -0.11 -1.26 -5.32 118.94 117.99 2ett s TRP 127 Ca 0.15 -0.42 0.00 0.00 1.22 0.00 0.00 56.10 57.05 2ett s TRP 127 Cb -0.21 -4.23 0.00 0.00 -1.50 0.00 0.00 33.47 27.53 2ett s TRP 127 CO 0.04 -1.58 0.00 0.41 -4.62 0.00 0.00 176.95 171.19