#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 2.19 -0.37 1.61 5.65 -1.26 -4.96 115.29 118.15 2ett s HIS 2 Ca 0.00 -2.61 0.00 0.00 0.25 0.00 0.00 55.06 52.71 2ett s HIS 2 Cb 0.00 -1.94 0.18 0.00 -1.18 0.00 0.00 32.58 29.64 2ett s HIS 2 CO 0.00 -0.75 0.81 -3.38 -0.65 0.00 0.00 174.74 170.77 2ett s HIS 3 N -0.03 -1.15 -0.58 3.88 0.00 -1.26 -5.07 115.29 111.07 2ett s HIS 3 Ca 0.21 0.20 0.05 0.00 -3.00 0.00 0.00 55.06 52.51 2ett s HIS 3 Cb -0.17 0.21 0.17 0.00 -4.00 0.00 0.00 32.58 28.79 2ett s HIS 3 CO -0.05 -0.78 0.43 -3.38 -1.00 0.00 0.00 174.74 169.96 2ett s HIS 4 N 1.95 2.51 -0.42 0.38 0.00 -1.26 -4.96 115.29 113.49 2ett s HIS 4 Ca 0.15 -2.91 0.05 0.00 -3.00 0.00 0.00 55.06 49.36 2ett s HIS 4 Cb -0.01 -1.94 0.17 0.00 -4.00 0.00 0.00 32.58 26.80 2ett s HIS 4 CO -0.11 -0.67 0.49 -1.01 -1.00 0.00 0.00 174.74 172.44 2ett s HIS 5 N -0.81 -0.54 -0.38 0.38 0.09 -1.26 -5.10 115.29 107.68 2ett s HIS 5 Ca 0.28 -0.91 -0.15 0.00 -0.00 0.00 0.00 55.06 54.29 2ett s HIS 5 Cb -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 32.58 32.34 2ett s HIS 5 CO -0.18 -1.05 0.32 -3.38 -0.00 0.00 0.00 174.74 170.45 2ett s HIS 6 N 1.08 3.22 -0.41 1.40 0.00 -1.26 -4.95 115.29 114.37 2ett s HIS 6 Ca 0.23 -0.32 0.07 0.00 -3.00 0.00 0.00 55.06 52.04 2ett s HIS 6 Cb -0.06 -2.62 0.23 0.00 -4.00 0.00 0.00 32.58 26.12 2ett s HIS 6 CO -0.07 -0.50 0.54 -2.39 -1.00 0.00 0.00 174.74 171.32 2ett n HIS 7 N 5.26 -1.02 -0.86 0.38 -0.00 -1.26 -4.77 115.22 112.96 2ett n HIS 7 Ca -0.10 -3.18 0.00 0.00 -0.00 0.00 0.00 57.72 54.44 2ett n HIS 7 Cb 0.48 0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2ett n HIS 7 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2ett n LEU 8 N 1.77 0.23 -0.84 2.39 -0.00 -1.26 -4.74 117.00 114.55 2ett n LEU 8 Ca 0.21 -0.23 0.02 0.00 -0.00 0.00 0.00 56.01 56.01 2ett n LEU 8 Cb 0.54 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.16 2ett n LEU 8 CO 0.13 0.06 0.62 -0.62 -0.00 0.00 0.00 177.39 177.58 2ett n GLU 9 N -0.05 1.94 -2.94 1.47 1.02 -1.26 -4.98 120.64 115.85 2ett n GLU 9 Ca 0.00 -3.04 -0.42 0.00 -0.02 0.00 0.00 57.16 53.67 2ett n GLU 9 Cb 0.37 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.10 4.13 -0.18 -4.62 1.43 -1.26 -3.79 118.68 111.29 2ett s LEU 10 Ca 0.41 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2ett s LEU 10 Cb 0.37 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.59 2ett s LEU 10 CO 0.01 -0.78 -0.07 -1.61 0.23 0.00 0.00 176.35 174.13 2ett s GLU 11 N 3.18 1.65 -0.21 1.70 2.02 -0.63 -4.97 118.70 121.45 2ett s GLU 11 Ca 0.32 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.60 2ett s GLU 11 Cb -0.13 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2ett s GLU 11 CO 0.18 -0.45 -0.05 0.08 0.02 0.00 0.00 175.26 175.04 2ett s VAL 12 N 1.53 3.38 -0.02 2.63 1.01 -1.26 0.21 120.40 127.87 2ett s VAL 12 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2ett s VAL 12 Cb -0.16 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2ett s VAL 12 CO -0.08 0.44 0.34 -1.38 0.00 0.00 0.00 175.10 174.42 2ett s HIS 13 N 1.29 -0.23 -0.60 5.22 -3.43 -0.02 -4.88 115.29 112.64 2ett s HIS 13 Ca 0.03 0.37 -0.12 0.00 -0.80 0.00 0.00 55.06 54.55 2ett s HIS 13 Cb -0.14 0.12 0.15 0.00 -1.43 0.00 0.00 32.58 31.28 2ett s HIS 13 CO -0.02 -0.39 0.51 0.42 -2.00 0.00 0.00 174.74 173.26 2ett s ILE 14 N -1.21 4.81 0.26 -5.38 1.01 -1.26 -0.53 121.20 118.90 2ett s ILE 14 Ca -0.12 -1.99 0.08 0.00 0.00 0.00 0.00 60.65 58.62 2ett s ILE 14 Cb -0.05 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2ett s ILE 14 CO 0.04 -0.88 1.60 1.55 0.00 0.00 0.00 174.94 177.25 2ett h PRO 15 N 8.27 0.08 -2.70 2.79 0.13 -1.94 -3.46 132.00 135.16 2ett h PRO 15 Ca -0.14 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 2ett h PRO 15 Cb 1.06 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.00 2ett h PRO 15 CO 0.87 0.67 -0.14 -1.12 -0.23 0.00 0.00 178.00 178.05 2ett s SER 16 N -6.87 -0.36 0.01 1.44 0.01 -1.26 -5.09 113.70 101.57 2ett s SER 16 Ca -0.02 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.64 2ett s SER 16 Cb 0.12 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.83 2ett s SER 16 CO 0.77 -0.44 -0.03 -0.69 0.41 0.00 0.00 173.24 173.26 2ett s VAL 17 N -1.02 0.25 0.17 3.43 1.01 -1.26 -1.90 120.40 121.08 2ett s VAL 17 Ca -0.11 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2ett s VAL 17 Cb -0.04 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2ett s VAL 17 CO 0.05 -0.05 0.61 -0.83 0.00 0.00 0.00 175.10 174.88 2ett s GLY 18 N -0.40 -0.58 0.05 4.51 0.00 -0.37 -5.00 107.32 105.53 2ett s GLY 18 Ca -0.02 0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.83 2ett s GLY 18 CO -0.00 0.14 1.23 2.56 0.00 0.00 0.00 173.10 177.03 2ett s PRO 19 N -3.75 4.40 0.00 2.90 0.04 -1.26 -0.60 135.00 136.72 2ett s PRO 19 Ca 0.02 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2ett s PRO 19 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2ett s PRO 19 CO -0.11 -0.32 0.00 -1.91 0.04 0.00 0.00 177.00 174.70 2ett n GLU 20 N 4.18 0.00 -4.10 4.56 4.07 -0.01 -4.89 120.64 124.45 2ett n GLU 20 Ca 0.10 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.95 2ett n GLU 20 Cb 0.46 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.67 2ett n GLU 20 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ett s ALA 21 N -4.37 1.17 -0.49 4.31 0.00 -1.21 -5.03 121.76 116.14 2ett s ALA 21 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 2ett s ALA 21 Cb 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2ett s ALA 21 CO 0.00 -0.24 1.19 -1.83 0.00 0.00 0.00 175.76 174.88 2ett s GLU 22 N 1.37 3.67 -0.38 0.00 -1.05 -1.26 -3.80 118.70 117.25 2ett s GLU 22 Ca -0.02 0.57 -0.11 0.00 -0.15 0.00 0.00 54.97 55.26 2ett s GLU 22 Cb -0.14 -3.94 0.01 0.00 -0.44 0.00 0.00 34.13 29.63 2ett s GLU 22 CO -0.04 -1.46 0.48 0.41 0.95 0.00 0.00 175.26 175.61 2ett n GLY 23 N 4.92 -1.16 0.19 -3.83 0.00 -1.26 -4.96 105.19 99.09 2ett n GLY 23 Ca 0.12 0.87 -0.15 0.00 0.00 0.00 0.00 46.02 46.87 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 1.38 0.58 -3.11 1.61 0.13 -1.88 -3.46 132.00 127.25 2ett h PRO 24 Ca 0.00 -0.52 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2ett h PRO 24 Cb 0.82 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 31.96 2ett h PRO 24 CO 0.17 1.15 0.14 0.50 -0.23 0.00 0.00 178.00 179.72 2ett s ARG 25 N -3.55 1.33 -0.78 0.86 6.06 -1.26 -5.09 118.95 116.52 2ett s ARG 25 Ca -0.08 -0.64 -0.26 0.00 -2.50 0.00 0.00 55.73 52.25 2ett s ARG 25 Cb 0.09 0.56 0.03 0.00 0.06 0.00 0.00 34.95 35.69 2ett s ARG 25 CO 0.88 -0.57 1.33 -0.65 -2.50 0.00 0.00 175.30 173.79 2ett s GLN 26 N -3.80 3.22 0.19 5.12 -0.21 -1.26 -4.95 119.66 117.96 2ett s GLN 26 Ca 0.04 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.10 2ett s GLN 26 Cb -0.01 -4.37 -0.04 0.00 1.00 0.00 0.00 33.01 29.59 2ett s GLN 26 CO -0.09 -2.19 0.34 -1.12 -2.12 0.00 0.00 175.29 170.11 2ett s SER 27 N 4.14 6.35 0.41 5.90 0.01 -1.26 -5.01 113.70 124.24 2ett s SER 27 Ca 0.38 0.23 0.14 0.00 1.31 0.00 0.00 55.95 58.01 2ett s SER 27 Cb -0.07 -1.93 1.00 0.00 0.21 0.00 0.00 66.02 65.23 2ett s SER 27 CO 0.11 -0.01 1.91 -0.65 0.41 0.00 0.00 173.24 175.01 2ett h PRO 28 N 1.88 0.46 0.00 12.44 0.11 -2.02 -3.34 132.00 141.54 2ett h PRO 28 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ett h PRO 28 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2ett h PRO 28 CO 0.67 0.31 -0.97 -1.91 -0.21 0.00 0.00 178.00 175.88 2ett n GLU 29 N -4.50 0.00 -0.43 1.05 2.13 -1.26 -5.16 120.64 112.48 2ett n GLU 29 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2ett n GLU 29 Cb 0.52 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 31.50 2ett n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ett n LYS 30 N -2.73 -1.13 -3.53 5.31 5.02 -1.26 -5.03 118.16 114.80 2ett n LYS 30 Ca 0.00 0.88 -0.18 0.00 -2.02 0.00 0.00 58.31 56.99 2ett n LYS 30 Cb 0.49 -1.09 -0.13 0.00 -0.02 0.00 0.00 35.03 34.27 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 -3.55 1.19 0.00 4.39 0.01 -1.26 -4.62 113.70 109.85 2ett s SER 31 Ca 0.00 -0.06 0.27 0.00 1.31 0.00 0.00 55.95 57.47 2ett s SER 31 Cb 0.00 0.40 0.91 0.00 0.21 0.00 0.00 66.02 67.54 2ett s SER 31 CO 0.00 -0.31 1.66 0.00 0.41 0.00 0.00 173.24 175.00 2ett n HIS 32 N 5.32 0.00 -4.87 2.43 1.44 -1.26 -4.79 115.22 113.49 2ett n HIS 32 Ca -0.05 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.40 2ett n HIS 32 Cb 0.50 -0.02 -0.16 0.00 0.12 0.00 0.00 29.99 30.43 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 -2.09 1.56 0.02 -1.40 -2.45 -1.26 -0.83 119.30 112.85 2ett s MET 33 Ca 0.34 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 2ett s MET 33 Cb 0.21 -1.47 -0.02 0.00 1.25 0.00 0.00 34.83 34.80 2ett s MET 33 CO 0.37 0.36 -0.09 0.54 1.05 0.00 0.00 175.02 177.24 2ett s VAL 34 N -0.31 0.71 0.03 10.11 0.11 0.23 -4.25 120.40 127.02 2ett s VAL 34 Ca 0.04 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 2ett s VAL 34 Cb -0.08 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2ett s VAL 34 CO 0.00 -0.06 -0.13 0.72 -3.33 0.00 0.00 175.10 172.31 2ett s PHE 35 N -0.74 2.71 -0.50 1.54 -0.12 -1.06 -1.24 117.98 118.58 2ett s PHE 35 Ca -0.02 -0.16 -0.18 0.00 -0.05 0.00 0.00 56.93 56.53 2ett s PHE 35 Cb -0.06 -1.52 0.07 0.00 -0.63 0.00 0.00 43.02 40.87 2ett s PHE 35 CO 0.00 0.31 0.56 1.03 -0.05 0.00 0.00 175.22 177.08 2ett s ARG 36 N -1.47 3.08 -0.25 1.99 3.00 -0.80 -0.03 118.95 124.46 2ett s ARG 36 Ca 0.16 -1.05 -0.26 0.00 0.00 0.00 0.00 55.73 54.58 2ett s ARG 36 Cb -0.11 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.72 2ett s ARG 36 CO 0.07 -1.18 0.88 0.14 0.00 0.00 0.00 175.30 175.21 2ett s VAL 37 N 2.33 4.78 -0.35 3.52 -7.23 0.10 -3.67 120.40 119.87 2ett s VAL 37 Ca 0.12 1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 61.83 2ett s VAL 37 Cb -0.21 -4.18 0.04 0.00 0.56 0.00 0.00 36.38 32.59 2ett s VAL 37 CO 0.10 -0.15 0.13 -0.70 -0.31 0.00 0.00 175.10 174.17 2ett s GLU 38 N 2.99 2.62 -0.40 4.82 2.12 0.31 -0.26 118.70 130.90 2ett s GLU 38 Ca 0.37 -1.21 -0.14 0.00 0.36 0.00 0.00 54.97 54.35 2ett s GLU 38 Cb -0.15 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.74 2ett s GLU 38 CO 0.08 -0.71 0.28 0.08 -0.54 0.00 0.00 175.26 174.46 2ett s VAL 39 N 1.41 5.07 -0.29 3.70 1.01 -1.01 -0.84 120.40 129.46 2ett s VAL 39 Ca -0.01 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 2ett s VAL 39 Cb -0.20 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2ett s VAL 39 CO 0.03 -0.31 0.59 -0.22 0.00 0.00 0.00 175.10 175.19 2ett s LEU 40 N 1.64 4.13 -0.31 3.92 0.20 0.13 -2.01 118.68 126.38 2ett s LEU 40 Ca 0.04 0.44 0.01 0.00 0.69 0.00 0.00 54.13 55.32 2ett s LEU 40 Cb -0.19 -2.76 0.09 0.00 -0.43 0.00 0.00 46.19 42.90 2ett s LEU 40 CO 0.09 -0.42 0.05 0.00 -0.29 0.00 0.00 176.35 175.78 2ett n SER 42 N 4.57 -7.45 0.00 0.00 7.64 -1.25 -3.38 113.62 113.75 2ett n SER 42 Ca -0.02 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2ett n SER 42 Cb 0.42 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 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 -0.84 1.26 3.77 0.23 0.00 -1.26 -4.90 105.19 103.44 2ett n GLY 43 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.90 0.06 1.61 0.52 -1.22 -5.11 118.95 117.70 2ett s ARG 44 Ca 0.00 -0.66 -0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2ett s ARG 44 Cb 0.00 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2ett s ARG 44 CO 0.00 0.58 -0.04 -0.98 0.02 0.00 0.00 175.30 174.88 2ett s ARG 45 N -2.26 0.61 -0.09 3.54 3.03 -1.26 0.14 118.95 122.66 2ett s ARG 45 Ca 0.28 -1.12 0.02 0.00 2.03 0.00 0.00 55.73 56.94 2ett s ARG 45 Cb -0.12 0.07 0.01 0.00 -1.03 0.00 0.00 34.95 33.89 2ett s ARG 45 CO 0.20 -0.07 -0.13 -1.58 -1.13 0.00 0.00 175.30 172.59 2ett s HIS 46 N -3.31 1.67 -0.68 5.89 2.46 -0.85 -4.12 115.29 116.34 2ett s HIS 46 Ca 0.03 -0.71 -0.25 0.00 0.47 0.00 0.00 55.06 54.60 2ett s HIS 46 Cb 0.03 -1.23 0.05 0.00 -0.13 0.00 0.00 32.58 31.30 2ett s HIS 46 CO -0.07 -0.38 1.10 0.99 -2.47 0.00 0.00 174.74 173.91 2ett s THR 47 N 0.92 4.06 -0.38 0.89 2.01 -1.26 -2.40 115.64 119.48 2ett s THR 47 Ca -0.09 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 2ett s THR 47 Cb -0.15 -4.78 0.03 0.00 0.01 0.00 0.00 72.50 67.61 2ett s THR 47 CO 0.00 -1.60 0.22 -0.69 -0.69 0.00 0.00 174.62 171.86 2ett s VAL 48 N 4.79 4.69 -0.37 3.82 1.01 0.64 -4.91 120.40 130.06 2ett s VAL 48 Ca 0.29 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2ett s VAL 48 Cb -0.13 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2ett s VAL 48 CO 0.13 -0.24 1.60 -2.84 0.00 0.00 0.00 175.10 173.76 2ett s PRO 49 N 1.58 3.45 -0.07 2.72 0.02 -1.26 0.02 135.00 141.46 2ett s PRO 49 Ca 0.03 1.17 0.05 0.00 0.02 0.00 0.00 61.00 62.26 2ett s PRO 49 Cb -0.19 -4.11 -0.00 0.00 0.02 0.00 0.00 34.50 30.21 2ett s PRO 49 CO 0.07 -1.72 -0.22 0.50 -0.33 0.00 0.00 177.00 175.30 2ett s ARG 50 N 5.31 2.51 0.72 5.54 6.06 0.96 -4.95 118.95 135.10 2ett s ARG 50 Ca 0.70 -0.80 -0.11 0.00 -2.50 0.00 0.00 55.73 53.02 2ett s ARG 50 Cb -0.18 -2.04 0.03 0.00 0.06 0.00 0.00 34.95 32.82 2ett s ARG 50 CO 0.33 0.26 1.07 1.03 -2.50 0.00 0.00 175.30 175.49 2ett s ARG 51 N 0.11 2.68 0.07 5.12 0.52 -1.26 -2.55 118.95 123.63 2ett s ARG 51 Ca -0.10 1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 55.92 2ett s ARG 51 Cb -0.15 -1.95 -0.13 0.00 0.52 0.00 0.00 34.95 33.23 2ett s ARG 51 CO 0.05 -1.31 1.60 -0.92 0.02 0.00 0.00 175.30 174.75 2ett h TYR 52 N -0.87 0.13 -0.08 -0.53 5.03 -1.92 -0.96 116.97 117.78 2ett h TYR 52 Ca -0.44 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 60.77 2ett h TYR 52 Cb 1.22 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2ett h TYR 52 CO 0.60 0.25 -0.39 0.77 -1.32 0.00 0.00 178.16 178.07 2ett h SER 53 N -0.02 0.18 -0.38 -2.11 0.02 -1.93 -2.79 113.55 106.51 2ett h SER 53 Ca 0.03 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2ett h SER 53 Cb 0.17 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2ett h SER 53 CO -0.00 0.56 0.08 -0.33 -1.14 0.00 0.00 176.83 175.99 2ett h GLU 54 N 0.15 0.62 -0.62 3.45 4.39 -1.84 -2.12 114.58 118.60 2ett h GLU 54 Ca 0.01 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2ett h GLU 54 Cb 0.76 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2ett h GLU 54 CO 0.06 0.67 0.35 0.35 -1.16 0.00 0.00 179.01 179.28 2ett h PHE 55 N 0.48 0.83 -0.06 4.33 3.57 -1.03 0.18 116.94 125.23 2ett h PHE 55 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.64 2ett h PHE 55 Cb 0.33 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2ett h PHE 55 CO 0.02 0.57 -0.10 0.45 -2.23 0.00 0.00 178.31 177.02 2ett h HIS 56 N 0.86 -0.24 -0.38 0.41 3.86 -1.16 0.21 115.15 118.71 2ett h HIS 56 Ca 0.22 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 2ett h HIS 56 Cb 0.00 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2ett h HIS 56 CO 0.00 -0.15 -0.12 0.00 0.86 0.00 0.00 177.93 178.53 2ett h ALA 57 N 0.90 0.53 -0.20 2.45 0.00 -1.00 -2.48 119.26 119.46 2ett h ALA 57 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2ett h ALA 57 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ett h ALA 57 CO -0.14 0.42 -0.01 1.25 0.00 0.00 0.00 179.25 180.77 2ett h LEU 58 N 0.56 -0.10 -1.35 0.00 5.85 -0.48 0.14 115.31 119.93 2ett h LEU 58 Ca 0.09 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2ett h LEU 58 Cb 0.65 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2ett h LEU 58 CO 0.04 -0.02 0.29 -0.74 -0.34 0.00 0.00 178.44 177.67 2ett h HIS 59 N 0.05 0.71 -0.26 1.25 2.76 -0.54 -1.31 115.15 117.82 2ett h HIS 59 Ca 0.09 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 2ett h HIS 59 Cb 0.12 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 2ett h HIS 59 CO -0.18 0.50 -0.55 0.87 -1.30 0.00 0.00 177.93 177.26 2ett h LYS 60 N 0.74 0.79 0.36 5.26 1.79 -0.89 -2.28 116.57 122.34 2ett h LYS 60 Ca 0.19 -0.50 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2ett h LYS 60 Cb 0.02 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2ett h LYS 60 CO -0.03 1.13 -0.39 0.00 -1.08 0.00 0.00 179.45 179.08 2ett h ARG 61 N 0.60 -0.76 0.00 3.15 2.47 0.24 -3.14 114.38 116.95 2ett h ARG 61 Ca 0.01 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2ett h ARG 61 Cb 1.15 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2ett h ARG 61 CO 0.12 -0.51 0.00 -0.84 0.56 0.00 0.00 179.97 179.30 2ett h ILE 62 N -0.79 0.00 0.00 2.04 3.07 -1.33 -2.80 117.51 117.69 2ett h ILE 62 Ca -0.03 -0.70 -0.01 0.00 1.55 0.00 0.00 64.86 65.67 2ett h ILE 62 Cb 0.71 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2ett h ILE 62 CO -0.08 0.00 -0.05 0.07 -1.05 0.00 0.00 178.15 177.04 2ett h LYS 63 N 0.00 0.00 0.00 0.16 2.10 -1.35 0.24 116.57 117.71 2ett h LYS 63 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 2ett h LYS 63 Cb 0.70 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 2ett h LYS 63 CO 0.00 0.05 -0.32 0.87 -2.00 0.00 0.00 179.45 178.05 2ett h LYS 64 N 0.00 0.00 0.00 0.07 1.79 -1.59 -3.39 116.57 113.45 2ett h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ett h LYS 64 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2ett h LYS 64 CO 0.01 0.32 -0.86 1.28 -1.08 0.00 0.00 179.45 179.11 2ett n LEU 65 N -3.45 1.72 -4.76 2.94 7.99 0.29 -5.08 117.00 116.65 2ett n LEU 65 Ca 0.00 0.31 -0.33 0.00 -0.01 0.00 0.00 56.01 55.98 2ett n LEU 65 Cb 0.49 -0.72 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 2ett n LEU 65 CO 0.36 -0.31 -0.24 -0.72 -1.51 0.00 0.00 177.39 174.97 2ett s TYR 66 N -2.66 1.76 -0.09 -1.77 -0.85 0.57 -5.08 117.35 109.23 2ett s TYR 66 Ca -0.25 -1.04 -0.30 0.00 -0.52 0.00 0.00 57.07 54.97 2ett s TYR 66 Cb 0.03 -1.54 -0.04 0.00 0.38 0.00 0.00 41.96 40.80 2ett s TYR 66 CO 0.37 0.14 1.54 0.15 -1.52 0.00 0.00 175.55 176.23 2ett s LYS 67 N -3.88 4.18 -0.06 -3.49 1.02 -1.26 -4.39 119.74 111.86 2ett s LYS 67 Ca 0.03 2.02 -0.02 0.00 0.02 0.00 0.00 55.97 58.02 2ett s LYS 67 Cb 0.00 -3.93 0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2ett s LYS 67 CO 0.02 -0.83 0.13 0.08 -0.92 0.00 0.00 175.35 173.83 2ett s VAL 68 N 3.95 -0.11 0.00 3.17 1.01 -1.26 -4.58 120.40 122.58 2ett s VAL 68 Ca 0.68 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2ett s VAL 68 Cb -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2ett s VAL 68 CO 0.25 0.10 0.00 -2.65 0.00 0.00 0.00 175.10 172.80 2ett n PRO 69 N 4.55 2.61 -3.90 2.72 -0.02 -1.26 -4.94 135.00 134.75 2ett n PRO 69 Ca -0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.06 2ett n PRO 69 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.94 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 -1.33 4.87 0.23 2.55 1.01 -1.26 -5.02 116.67 117.72 2ett s ASP 70 Ca 0.00 -0.75 0.05 0.00 0.71 0.00 0.00 52.55 52.56 2ett s ASP 70 Cb 0.00 -0.70 -0.03 0.00 1.01 0.00 0.00 42.92 43.19 2ett s ASP 70 CO 0.00 -0.44 0.30 0.72 0.21 0.00 0.00 175.17 175.96 2ett s PHE 71 N -2.44 3.36 0.60 4.23 -0.12 -1.26 -5.02 117.98 117.32 2ett s PHE 71 Ca 0.42 -0.03 -0.18 0.00 -0.05 0.00 0.00 56.93 57.09 2ett s PHE 71 Cb -0.02 -1.54 -0.03 0.00 -0.63 0.00 0.00 43.02 40.80 2ett s PHE 71 CO 0.25 0.47 1.16 -2.14 -0.05 0.00 0.00 175.22 174.91 2ett s PRO 72 N -3.82 3.02 1.06 1.99 0.02 -1.26 -5.00 135.00 131.01 2ett s PRO 72 Ca 0.34 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 62.90 2ett s PRO 72 Cb -0.09 -1.95 0.18 0.00 0.02 0.00 0.00 34.50 32.66 2ett s PRO 72 CO 0.28 -1.13 0.81 0.45 -0.33 0.00 0.00 177.00 177.08 2ett n SER 73 N -1.70 -1.27 0.10 2.53 2.88 -1.26 -4.91 113.62 109.99 2ett n SER 73 Ca 0.12 0.09 0.13 0.00 -1.33 0.00 0.00 58.87 57.88 2ett n SER 73 Cb 0.51 -1.27 0.43 0.00 -0.75 0.00 0.00 64.21 63.12 2ett n SER 73 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2ett n LYS 74 N -3.85 0.24 -3.99 -1.46 2.85 -1.26 -4.60 118.16 106.09 2ett n LYS 74 Ca 0.06 0.20 -0.33 0.00 -1.05 0.00 0.00 58.31 57.19 2ett n LYS 74 Cb 0.55 -1.78 -0.14 0.00 -0.65 0.00 0.00 35.03 33.00 2ett n LYS 74 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2ett s ARG 75 N -3.10 2.31 0.54 -1.58 1.81 -1.26 -5.09 118.95 112.58 2ett s ARG 75 Ca 0.11 -1.33 0.02 0.00 -1.72 0.00 0.00 55.73 52.81 2ett s ARG 75 Cb 0.13 -3.04 0.02 0.00 -0.45 0.00 0.00 34.95 31.61 2ett s ARG 75 CO 0.58 -0.61 0.16 -0.51 -0.68 0.00 0.00 175.30 174.25 2ett s LEU 76 N 1.17 2.38 0.86 2.53 2.01 -1.26 -5.12 118.68 121.25 2ett s LEU 76 Ca -0.07 -1.53 -0.14 0.00 0.01 0.00 0.00 54.13 52.40 2ett s LEU 76 Cb -0.20 -0.87 0.01 0.00 0.01 0.00 0.00 46.19 45.14 2ett s LEU 76 CO -0.03 -1.01 0.49 -2.65 1.01 0.00 0.00 176.35 174.16 2ett n PRO 77 N -1.50 -0.04 0.00 1.29 -0.02 -1.26 -4.84 135.00 128.63 2ett n PRO 77 Ca -0.14 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2ett n PRO 77 Cb 0.66 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2ett n PRO 77 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ett n ASN 78 N -1.00 0.35 0.00 2.55 4.13 -1.26 -4.82 115.26 115.21 2ett n ASN 78 Ca 0.08 -1.58 0.00 0.00 1.68 0.00 0.00 54.58 54.77 2ett n ASN 78 Cb 0.52 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.59 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2ett n TRP 79 N -0.23 0.00 0.07 3.10 5.03 -1.24 -4.55 117.44 119.63 2ett n TRP 79 Ca 0.00 0.00 -0.22 0.00 3.03 0.00 0.00 57.50 60.31 2ett n TRP 79 Cb 0.09 -0.05 -0.12 0.00 -1.03 0.00 0.00 31.31 30.19 2ett n TRP 79 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2ett h ARG 80 N 0.18 0.62 -0.04 -0.99 2.43 -1.96 -3.37 114.38 111.26 2ett h ARG 80 Ca 0.00 -0.79 -0.10 0.00 -0.81 0.00 0.00 59.98 58.28 2ett h ARG 80 Cb 0.00 0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2ett h ARG 80 CO 0.00 1.35 -0.36 1.79 -1.51 0.00 0.00 179.97 181.24 2ett h THR 81 N 0.26 1.45 -3.99 0.20 1.35 -1.93 -3.45 112.91 106.80 2ett h THR 81 Ca -0.17 -1.85 -0.37 0.00 -0.55 0.00 0.00 66.41 63.48 2ett h THR 81 Cb 1.83 2.48 -0.27 0.00 -1.73 0.00 0.00 68.15 70.46 2ett h THR 81 CO 0.22 0.53 -0.77 -0.13 -0.25 0.00 0.00 175.52 175.12 2ett s ARG 82 N -3.44 0.64 0.80 4.72 0.52 -1.26 -5.06 118.95 115.87 2ett s ARG 82 Ca -0.14 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 54.55 2ett s ARG 82 Cb 0.03 -0.60 0.05 0.00 0.52 0.00 0.00 34.95 34.95 2ett s ARG 82 CO 0.78 0.16 0.97 0.41 0.02 0.00 0.00 175.30 177.64 2ett n GLY 83 N 2.64 -0.53 0.29 -3.53 0.00 -1.26 -3.61 105.19 99.19 2ett n GLY 83 Ca -0.15 -0.47 0.17 0.00 0.00 0.00 0.00 46.02 45.57 2ett n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ett h LEU 84 N -0.79 0.00 -1.96 0.99 7.12 -1.99 -1.63 115.31 117.06 2ett h LEU 84 Ca -0.46 0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.62 2ett h LEU 84 Cb 1.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.43 2ett h LEU 84 CO 0.44 0.05 0.20 -0.08 -0.13 0.00 0.00 178.44 178.92 2ett h GLU 85 N 0.00 0.05 -0.51 1.25 4.81 -1.97 0.76 114.58 118.97 2ett h GLU 85 Ca -0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2ett h GLU 85 Cb 0.35 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2ett h GLU 85 CO 0.01 0.03 0.20 1.96 -0.73 0.00 0.00 179.01 180.48 2ett h GLN 86 N 0.05 0.73 0.29 1.92 1.08 -1.64 -1.27 115.11 116.27 2ett h GLN 86 Ca 0.13 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2ett h GLN 86 Cb 0.46 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2ett h GLN 86 CO -0.01 0.60 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.24 2ett h ARG 87 N 0.72 -0.38 -0.30 1.46 2.43 -1.02 -1.45 114.38 115.84 2ett h ARG 87 Ca 0.17 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2ett h ARG 87 Cb 0.14 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2ett h ARG 87 CO -0.02 -0.05 0.17 0.07 -1.51 0.00 0.00 179.97 178.64 2ett h ARG 88 N -0.91 0.41 0.00 0.20 0.11 -1.35 -0.95 114.38 111.89 2ett h ARG 88 Ca -0.04 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2ett h ARG 88 Cb 0.51 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 2ett h ARG 88 CO 0.07 0.34 -0.04 1.96 0.10 0.00 0.00 179.97 182.40 2ett h GLN 89 N 0.37 0.00 0.08 0.08 7.50 -1.34 0.34 115.11 122.14 2ett h GLN 89 Ca 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.25 2ett h GLN 89 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 2ett h GLN 89 CO -0.02 0.04 -0.04 0.78 -1.50 0.00 0.00 178.83 178.09 2ett h GLY 90 N 1.45 -0.12 0.97 3.46 0.00 -0.08 -1.55 103.07 107.21 2ett h GLY 90 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 2ett h GLY 90 CO 0.00 -0.04 -0.08 1.41 0.00 0.00 0.00 176.54 177.84 2ett h LEU 91 N -0.55 0.76 -1.15 3.11 -0.00 -0.92 -2.84 115.31 113.72 2ett h LEU 91 Ca -0.01 -0.35 0.07 0.00 -0.00 0.00 0.00 57.88 57.58 2ett h LEU 91 Cb 0.46 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.85 2ett h LEU 91 CO 0.02 0.93 0.59 -0.08 -0.00 0.00 0.00 178.44 179.90 2ett h GLU 92 N 0.57 0.99 0.01 1.13 4.81 -0.38 0.31 114.58 122.03 2ett h GLU 92 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2ett h GLU 92 Cb 0.59 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2ett h GLU 92 CO 0.04 0.66 -0.01 0.00 -0.73 0.00 0.00 179.01 178.96 2ett h ALA 93 N 1.51 -0.02 -0.28 2.92 0.00 -1.14 -0.43 119.26 121.82 2ett h ALA 93 Ca 0.39 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2ett h ALA 93 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ett h ALA 93 CO -0.15 -0.42 -0.37 1.88 0.00 0.00 0.00 179.25 180.19 2ett h TYR 94 N -0.20 0.75 -0.20 0.00 0.05 -1.13 -0.65 116.97 115.58 2ett h TYR 94 Ca -0.00 -0.21 -0.13 0.00 0.05 0.00 0.00 58.73 58.44 2ett h TYR 94 Cb 0.19 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2ett h TYR 94 CO -0.01 0.91 -0.42 0.82 -1.05 0.00 0.00 178.16 178.40 2ett h ILE 95 N 0.53 1.31 -0.57 -2.88 2.04 -0.36 -0.90 117.51 116.67 2ett h ILE 95 Ca 0.05 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.24 2ett h ILE 95 Cb 0.88 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2ett h ILE 95 CO 0.08 0.50 0.06 -0.61 0.00 0.00 0.00 178.15 178.17 2ett h GLN 96 N 0.40 0.97 0.05 2.37 4.15 -0.94 -2.10 115.11 120.01 2ett h GLN 96 Ca 0.03 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.19 2ett h GLN 96 Cb 0.91 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 2ett h GLN 96 CO 0.08 0.94 -0.21 0.78 -1.93 0.00 0.00 178.83 178.49 2ett h GLY 97 N 0.86 -0.33 1.68 2.39 0.00 -0.50 0.28 103.07 107.44 2ett h GLY 97 Ca 0.17 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 2ett h GLY 97 CO 0.02 -0.19 0.02 0.16 0.00 0.00 0.00 176.54 176.55 2ett h ILE 98 N -0.36 1.16 -0.28 2.60 3.07 -1.18 0.11 117.51 122.63 2ett h ILE 98 Ca 0.05 -0.60 -0.19 0.00 1.55 0.00 0.00 64.86 65.66 2ett h ILE 98 Cb 0.41 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 2ett h ILE 98 CO -0.16 0.21 -0.57 0.25 -1.05 0.00 0.00 178.15 176.83 2ett h LEU 99 N 0.41 0.98 -0.61 0.16 6.46 -0.74 -3.14 115.31 118.83 2ett h LEU 99 Ca 0.09 -0.54 -0.13 0.00 -0.12 0.00 0.00 57.88 57.18 2ett h LEU 99 Cb 0.23 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2ett h LEU 99 CO 0.00 1.34 -0.62 0.22 -0.62 0.00 0.00 178.44 178.77 2ett h TYR 100 N 0.66 0.00 0.47 1.25 3.20 -0.00 -2.97 116.97 119.59 2ett h TYR 100 Ca 0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2ett h TYR 100 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2ett h TYR 100 CO 0.08 0.62 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.91 2ett h LEU 101 N 0.00 -0.54 0.00 2.82 3.38 -0.77 -3.48 115.31 116.71 2ett h LEU 101 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ett h LEU 101 Cb 1.19 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2ett h LEU 101 CO 0.08 -0.13 0.00 -3.20 0.09 0.00 0.00 178.44 175.28 2ett n ASN 102 N -5.22 -0.10 -0.77 -0.43 4.05 -1.19 -4.96 115.26 106.63 2ett n ASN 102 Ca -0.09 0.05 0.11 0.00 0.45 0.00 0.00 54.58 55.10 2ett n ASN 102 Cb 0.29 0.25 0.31 0.00 1.23 0.00 0.00 39.78 41.86 2ett n ASN 102 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2ett n GLN 103 N -2.57 2.02 0.00 1.20 7.27 -1.26 -4.99 117.38 119.05 2ett n GLN 103 Ca 0.00 -1.52 0.00 0.00 0.07 0.00 0.00 57.00 55.55 2ett n GLN 103 Cb 0.00 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.20 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 0.76 0.00 -2.94 3.69 0.28 -1.12 -4.47 120.64 116.85 2ett n GLU 104 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.75 2ett n GLU 104 Cb 0.44 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.26 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 4.74 -0.46 3.84 0.11 -1.26 -3.99 120.40 123.38 2ett s VAL 105 Ca 0.00 1.02 -0.35 0.00 -2.93 0.00 0.00 61.98 59.72 2ett s VAL 105 Cb 0.00 -4.20 -0.13 0.00 -1.53 0.00 0.00 36.38 30.52 2ett s VAL 105 CO 0.00 -0.38 2.27 -2.65 -3.33 0.00 0.00 175.10 171.01 2ett n PRO 106 N 6.38 0.82 0.29 1.54 -0.02 -1.26 -4.81 135.00 137.93 2ett n PRO 106 Ca 0.04 0.19 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 2ett n PRO 106 Cb 0.48 -2.35 0.89 0.00 -0.02 0.00 0.00 33.50 32.51 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 12.77 0.00 -0.21 -0.52 3.11 -1.92 -1.05 116.57 128.76 2ett h LYS 107 Ca -0.22 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.53 2ett h LYS 107 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 2ett h LYS 107 CO 1.09 0.05 -0.27 1.49 -2.81 0.00 0.00 179.45 178.99 2ett h GLU 108 N 0.00 0.39 -0.02 1.90 4.81 -1.99 -1.82 114.58 117.85 2ett h GLU 108 Ca -0.00 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 2ett h GLU 108 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ett h GLU 108 CO 0.01 0.64 -0.81 -0.07 -0.73 0.00 0.00 179.01 178.04 2ett h LEU 109 N 0.35 0.29 -0.48 1.64 4.07 -1.59 0.22 115.31 119.82 2ett h LEU 109 Ca 0.05 -0.22 0.08 0.00 0.08 0.00 0.00 57.88 57.87 2ett h LEU 109 Cb 0.67 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 2ett h LEU 109 CO 0.05 0.98 0.10 0.25 -1.08 0.00 0.00 178.44 178.75 2ett h LEU 110 N 0.14 0.02 -0.26 1.67 7.12 -1.03 -0.74 115.31 122.23 2ett h LEU 110 Ca -0.04 0.08 -0.19 0.00 0.13 0.00 0.00 57.88 57.87 2ett h LEU 110 Cb 1.41 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 2ett h LEU 110 CO 0.13 0.04 -0.88 -0.33 -0.13 0.00 0.00 178.44 177.27 2ett h GLU 111 N 0.24 0.05 -0.13 1.25 4.39 -1.15 0.10 114.58 119.33 2ett h GLU 111 Ca 0.24 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 2ett h GLU 111 Cb 0.31 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2ett h GLU 111 CO -0.30 0.89 -0.03 0.35 -1.16 0.00 0.00 179.01 178.76 2ett h PHE 112 N 0.02 0.28 -0.54 4.33 3.04 0.89 -2.85 116.94 122.11 2ett h PHE 112 Ca -0.02 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2ett h PHE 112 Cb 1.54 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.98 2ett h PHE 112 CO 0.01 0.54 0.00 1.28 -2.02 0.00 0.00 178.31 178.12 2ett n LEU 113 N -4.73 4.39 -1.96 0.59 4.32 -0.71 -4.90 117.00 114.00 2ett n LEU 113 Ca -0.06 -2.48 -0.17 0.00 -0.02 0.00 0.00 56.01 53.28 2ett n LEU 113 Cb 0.25 -0.52 -0.01 0.00 -1.62 0.00 0.00 43.42 41.52 2ett n LEU 113 CO 0.36 0.78 -0.21 0.54 -1.22 0.00 0.00 177.39 177.64 2ett n ARG 114 N 0.77 -1.44 0.16 3.23 1.74 -1.08 -4.87 116.66 115.18 2ett n ARG 114 Ca 0.23 0.83 0.12 0.00 -0.77 0.00 0.00 57.85 58.26 2ett n ARG 114 Cb 0.83 -5.28 0.59 0.00 -1.02 0.00 0.00 32.46 27.59 2ett n ARG 114 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ett h LEU 115 N -0.03 0.00 -9.57 0.55 3.38 -0.99 -3.45 115.31 105.19 2ett h LEU 115 Ca -0.41 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.98 2ett h LEU 115 Cb 1.30 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.13 2ett h LEU 115 CO 0.48 0.00 0.62 -2.11 0.09 0.00 0.00 178.44 177.52 2ett n ARG 116 N -2.31 2.02 -0.83 1.13 -4.01 -1.19 -1.87 116.66 109.60 2ett n ARG 116 Ca -0.00 0.72 0.00 0.00 -1.04 0.00 0.00 57.85 57.53 2ett n ARG 116 Cb 0.10 -2.39 0.00 0.00 -3.04 0.00 0.00 32.46 27.13 2ett n ARG 116 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 2ett n HIS 117 N 2.04 0.00 -4.18 2.89 -0.00 -1.26 -5.00 115.22 109.72 2ett n HIS 117 Ca 0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.53 2ett n HIS 117 Cb 0.31 -0.41 -0.08 0.00 -0.00 0.00 0.00 29.99 29.81 2ett n HIS 117 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2ett s PHE 118 N -3.14 3.11 -0.05 1.57 0.08 -0.78 -5.04 117.98 113.73 2ett s PHE 118 Ca 0.00 0.07 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 2ett s PHE 118 Cb 0.00 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2ett s PHE 118 CO 0.00 0.49 0.02 -1.35 -0.10 0.00 0.00 175.22 174.28 2ett h PRO 119 N 3.90 -0.01 -1.87 0.24 0.11 -1.91 -3.50 132.00 128.96 2ett h PRO 119 Ca -0.48 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.92 2ett h PRO 119 Cb 1.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 2ett h PRO 119 CO 0.60 -0.01 0.76 -0.08 -0.21 0.00 0.00 178.00 179.07 2ett s THR 120 N -1.33 0.00 0.26 -1.15 -1.32 -1.26 -4.02 115.64 106.82 2ett s THR 120 Ca -0.00 -0.33 -0.24 0.00 -1.21 0.00 0.00 61.69 59.91 2ett s THR 120 Cb 0.00 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 68.57 2ett s THR 120 CO 0.01 0.00 0.85 1.51 -2.21 0.00 0.00 174.62 174.77 2ett s ASP 121 N -3.21 7.27 -0.64 8.08 -4.77 -1.26 -4.94 116.67 117.20 2ett s ASP 121 Ca 0.18 1.68 -0.26 0.00 -3.30 0.00 0.00 52.55 50.85 2ett s ASP 121 Cb 0.02 -2.52 -0.08 0.00 -1.09 0.00 0.00 42.92 39.25 2ett s ASP 121 CO -0.01 0.02 2.29 -2.16 0.70 0.00 0.00 175.17 176.01 2ett s PRO 122 N -1.86 2.05 -0.35 2.11 0.04 -1.26 -4.82 135.00 130.91 2ett s PRO 122 Ca 0.45 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2ett s PRO 122 Cb -0.19 -4.67 0.14 0.00 0.04 0.00 0.00 34.50 29.82 2ett s PRO 122 CO 0.24 -3.60 0.25 0.21 0.04 0.00 0.00 177.00 174.14 2ett s LYS 123 N 8.19 0.52 -0.27 4.56 2.20 -1.26 -5.08 119.74 128.61 2ett s LYS 123 Ca 0.89 -1.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2ett s LYS 123 Cb -0.14 -1.09 0.15 0.00 -1.51 0.00 0.00 37.83 35.24 2ett s LYS 123 CO 0.17 -1.18 0.45 0.00 -0.36 0.00 0.00 175.35 174.43 2ett s ALA 124 N 1.34 -1.46 -0.26 3.13 0.00 -1.26 -5.10 121.76 118.14 2ett s ALA 124 Ca 0.16 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 2ett s ALA 124 Cb -0.20 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.10 2ett s ALA 124 CO -0.06 -1.39 0.04 -1.54 0.00 0.00 0.00 175.76 172.82 2ett s SER 125 N 2.64 3.70 -0.31 0.00 1.04 -1.26 -5.10 113.70 114.41 2ett s SER 125 Ca 0.14 -1.32 -0.19 0.00 0.48 0.00 0.00 55.95 55.06 2ett s SER 125 Cb -0.15 -0.90 -0.01 0.00 0.10 0.00 0.00 66.02 65.06 2ett s SER 125 CO -0.20 -0.34 0.58 0.54 0.98 0.00 0.00 173.24 174.80 2ett s ASN 126 N 1.60 6.44 -0.19 7.02 2.20 -1.26 -5.01 114.94 125.74 2ett s ASN 126 Ca 0.03 0.35 -0.03 0.00 -0.94 0.00 0.00 52.86 52.26 2ett s ASN 126 Cb -0.18 -2.30 0.06 0.00 -2.00 0.00 0.00 41.25 36.83 2ett s ASN 126 CO -0.15 -0.43 0.05 0.86 -2.94 0.00 0.00 177.10 174.48 2ett s TRP 127 N 2.49 0.87 0.00 1.54 -0.11 -1.26 -5.36 118.94 117.11 2ett s TRP 127 Ca 0.23 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.79 2ett s TRP 127 Cb -0.15 -0.97 0.00 0.00 -1.50 0.00 0.00 33.47 30.85 2ett s TRP 127 CO 0.12 -0.60 0.00 0.41 -4.62 0.00 0.00 176.95 172.26