#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 0.46 0.01 1.61 2.46 -1.26 -5.10 115.29 113.47 2ett s HIS 2 Ca 0.00 -0.99 -0.01 0.00 0.47 0.00 0.00 55.06 54.53 2ett s HIS 2 Cb 0.00 -0.97 -0.02 0.00 -0.13 0.00 0.00 32.58 31.47 2ett s HIS 2 CO 0.00 -0.83 -0.01 -1.01 -2.47 0.00 0.00 174.74 170.42 2ett s HIS 3 N 2.00 0.20 -0.45 3.88 4.02 -1.26 -5.10 115.29 118.58 2ett s HIS 3 Ca 0.10 -0.42 -0.28 0.00 1.02 0.00 0.00 55.06 55.47 2ett s HIS 3 Cb -0.17 -0.15 0.03 0.00 -1.02 0.00 0.00 32.58 31.27 2ett s HIS 3 CO -0.34 -0.18 1.10 -1.01 1.02 0.00 0.00 174.74 175.33 2ett s HIS 4 N -1.28 2.88 -1.20 1.40 0.09 -1.26 -4.92 115.29 111.00 2ett s HIS 4 Ca -0.14 0.74 -0.21 0.00 -0.00 0.00 0.00 55.06 55.45 2ett s HIS 4 Cb -0.09 -4.27 -0.03 0.00 -0.00 0.00 0.00 32.58 28.19 2ett s HIS 4 CO -0.01 -1.18 1.86 -1.01 -0.00 0.00 0.00 174.74 174.41 2ett s HIS 5 N 4.25 2.21 -0.08 1.40 4.02 -1.26 -4.59 115.29 121.24 2ett s HIS 5 Ca 0.46 -0.18 0.14 0.00 1.02 0.00 0.00 55.06 56.50 2ett s HIS 5 Cb -0.08 -4.25 -0.12 0.00 -1.02 0.00 0.00 32.58 27.11 2ett s HIS 5 CO 0.29 -1.43 1.01 1.25 1.02 0.00 0.00 174.74 176.88 2ett h HIS 6 N 9.17 0.00 -3.26 1.40 -0.00 -1.99 -3.41 115.15 117.06 2ett h HIS 6 Ca 0.28 0.00 -0.76 0.00 -0.00 0.00 0.00 60.37 59.89 2ett h HIS 6 Cb 0.92 0.00 -0.24 0.00 -0.00 0.00 0.00 27.41 28.10 2ett h HIS 6 CO 1.28 0.70 -0.00 -1.01 -0.00 0.00 0.00 177.93 178.90 2ett s HIS 7 N -2.84 3.37 -1.04 5.26 4.02 -1.26 -4.93 115.29 117.86 2ett s HIS 7 Ca -0.01 -1.47 -0.04 0.00 1.02 0.00 0.00 55.06 54.56 2ett s HIS 7 Cb 0.08 -3.87 0.30 0.00 -1.02 0.00 0.00 32.58 28.07 2ett s HIS 7 CO 0.80 -1.08 1.36 1.47 1.02 0.00 0.00 174.74 178.30 2ett n LEU 8 N 5.09 6.03 -4.55 0.89 -0.00 -1.26 -4.45 117.00 118.74 2ett n LEU 8 Ca -0.02 -5.21 -0.43 0.00 -0.00 0.00 0.00 56.01 50.35 2ett n LEU 8 Cb 0.43 -1.24 -0.05 0.00 -0.00 0.00 0.00 43.42 42.56 2ett n LEU 8 CO 0.48 1.68 0.55 -0.70 -0.00 0.00 0.00 177.39 179.40 2ett s GLU 9 N -2.55 3.51 -0.15 1.47 2.12 -1.26 -4.90 118.70 116.93 2ett s GLU 9 Ca 0.32 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2ett s GLU 9 Cb 0.04 -3.90 0.03 0.00 0.26 0.00 0.00 34.13 30.56 2ett s GLU 9 CO 0.07 -1.02 -0.13 -1.17 -0.54 0.00 0.00 175.26 172.47 2ett s LEU 10 N 3.18 1.74 -0.14 2.70 1.98 -1.26 -1.87 118.68 125.01 2ett s LEU 10 Ca 0.30 -0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 50.96 2ett s LEU 10 Cb -0.13 -1.16 0.06 0.00 0.66 0.00 0.00 46.19 45.63 2ett s LEU 10 CO 0.20 -0.08 0.14 -1.61 -1.89 0.00 0.00 176.35 173.12 2ett s GLU 11 N 1.49 0.07 -0.19 1.98 2.02 0.07 -5.01 118.70 119.13 2ett s GLU 11 Ca 0.04 0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.23 2ett s GLU 11 Cb -0.13 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 32.96 2ett s GLU 11 CO -0.10 -0.54 -0.15 0.08 0.02 0.00 0.00 175.26 174.56 2ett s VAL 12 N 2.23 2.48 0.02 2.63 1.01 -1.26 0.27 120.40 127.78 2ett s VAL 12 Ca 0.04 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 2ett s VAL 12 Cb -0.15 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.21 2ett s VAL 12 CO -0.08 0.50 0.53 -1.38 0.00 0.00 0.00 175.10 174.67 2ett s HIS 13 N 1.31 -0.44 -0.58 5.22 -3.43 -0.27 -5.01 115.29 112.10 2ett s HIS 13 Ca 0.04 0.56 -0.08 0.00 -0.80 0.00 0.00 55.06 54.79 2ett s HIS 13 Cb -0.14 0.33 0.15 0.00 -1.43 0.00 0.00 32.58 31.49 2ett s HIS 13 CO -0.09 -0.61 0.44 0.42 -2.00 0.00 0.00 174.74 172.90 2ett s ILE 14 N -2.12 4.27 0.09 -5.38 1.01 -1.26 -0.27 121.20 117.53 2ett s ILE 14 Ca -0.07 -2.28 0.26 0.00 0.00 0.00 0.00 60.65 58.55 2ett s ILE 14 Cb -0.01 -3.77 0.26 0.00 0.01 0.00 0.00 42.46 38.96 2ett s ILE 14 CO 0.01 -0.85 1.83 1.55 0.00 0.00 0.00 174.94 177.48 2ett h PRO 15 N 7.88 0.00 -3.03 2.79 0.13 -1.86 -3.46 132.00 134.45 2ett h PRO 15 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.92 2ett h PRO 15 Cb 1.03 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.95 2ett h PRO 15 CO 0.79 0.18 -0.29 -1.12 -0.23 0.00 0.00 178.00 177.32 2ett s SER 16 N -6.10 -0.21 -0.04 1.44 0.01 -1.21 -5.03 113.70 102.56 2ett s SER 16 Ca 0.01 0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.44 2ett s SER 16 Cb 0.10 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.73 2ett s SER 16 CO 0.62 -0.38 0.05 -0.69 0.41 0.00 0.00 173.24 173.25 2ett s VAL 17 N -1.03 -0.07 0.08 3.43 1.01 -1.26 0.20 120.40 122.75 2ett s VAL 17 Ca -0.11 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2ett s VAL 17 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2ett s VAL 17 CO 0.03 0.17 0.06 -0.83 0.00 0.00 0.00 175.10 174.53 2ett s GLY 18 N 1.92 0.40 -0.80 4.51 0.00 0.51 -4.98 107.32 108.87 2ett s GLY 18 Ca 0.02 -1.03 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 2ett s GLY 18 CO -0.03 -1.13 1.20 2.56 0.00 0.00 0.00 173.10 175.69 2ett s PRO 19 N -3.92 3.31 0.00 2.90 0.04 -1.26 -0.40 135.00 135.67 2ett s PRO 19 Ca 0.09 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.28 2ett s PRO 19 Cb 0.07 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2ett s PRO 19 CO -0.09 -2.00 0.45 -0.85 0.04 0.00 0.00 177.00 174.55 2ett n GLU 20 N 8.33 0.00 -1.68 4.56 0.28 -1.03 -4.96 120.64 126.14 2ett n GLU 20 Ca 0.10 -0.11 -0.31 0.00 -0.16 0.00 0.00 57.16 56.68 2ett n GLU 20 Cb 0.48 0.07 0.04 0.00 1.43 0.00 0.00 31.44 33.46 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 2.69 0.10 -1.84 0.00 0.63 -4.94 121.76 118.40 2ett s ALA 21 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2ett s ALA 21 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2ett s ALA 21 CO 0.00 -1.13 1.20 -2.00 0.00 0.00 0.00 175.76 173.83 2ett s GLU 22 N -4.82 4.45 -0.43 0.00 -6.30 -1.26 -4.77 118.70 105.56 2ett s GLU 22 Ca 0.59 1.81 -0.23 0.00 -2.50 0.00 0.00 54.97 54.64 2ett s GLU 22 Cb -0.14 -3.31 0.02 0.00 0.00 0.00 0.00 34.13 30.69 2ett s GLU 22 CO 0.51 -0.21 0.79 0.20 0.02 0.00 0.00 175.26 176.56 2ett s GLY 23 N 0.80 1.61 0.58 -1.50 0.00 -1.26 -4.81 107.32 102.74 2ett s GLY 23 Ca 0.57 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 2ett s GLY 23 CO 0.31 1.78 0.79 -1.55 0.00 0.00 0.00 173.10 174.43 2ett n PRO 24 N 6.65 -0.28 -1.29 2.90 -0.04 -1.26 -5.09 135.00 136.59 2ett n PRO 24 Ca 0.03 -1.73 -0.30 0.00 -0.04 0.00 0.00 63.50 61.46 2ett n PRO 24 Cb 0.48 -0.65 0.22 0.00 -0.04 0.00 0.00 33.50 33.51 2ett n PRO 24 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2ett s ARG 25 N -4.58 -0.60 -0.77 0.54 3.52 -1.26 -4.80 118.95 111.00 2ett s ARG 25 Ca 0.49 -0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 2ett s ARG 25 Cb -0.02 -1.67 -0.16 0.00 -1.56 0.00 0.00 34.95 31.54 2ett s ARG 25 CO 0.33 -3.30 2.54 0.00 -0.81 0.00 0.00 175.30 174.06 2ett n GLN 26 N -4.46 0.47 -4.49 5.12 10.64 -1.26 -4.87 117.38 118.53 2ett n GLN 26 Ca 0.13 -0.04 -0.25 0.00 -1.83 0.00 0.00 57.00 55.01 2ett n GLN 26 Cb 0.59 -2.42 -0.10 0.00 -0.86 0.00 0.00 30.24 27.45 2ett n GLN 26 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2ett s SER 27 N 10.07 3.64 0.19 2.61 0.01 -1.26 -5.05 113.70 123.92 2ett s SER 27 Ca 1.17 -1.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 2ett s SER 27 Cb -0.72 -0.32 0.20 0.00 0.21 0.00 0.00 66.02 65.39 2ett s SER 27 CO 0.38 -0.03 1.66 1.55 0.41 0.00 0.00 173.24 177.20 2ett h PRO 28 N 2.19 0.05 0.00 12.44 0.13 -1.94 -3.35 132.00 141.53 2ett h PRO 28 Ca -0.41 -0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.46 2ett h PRO 28 Cb 1.26 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2ett h PRO 28 CO 0.63 0.03 -1.80 -0.85 -0.23 0.00 0.00 178.00 175.78 2ett n GLU 29 N -5.32 0.56 -3.66 0.86 0.28 -1.26 -5.01 120.64 107.09 2ett n GLU 29 Ca 0.06 0.27 -0.25 0.00 -0.16 0.00 0.00 57.16 57.08 2ett n GLU 29 Cb 0.29 -1.49 0.07 0.00 1.43 0.00 0.00 31.44 31.73 2ett n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ett n LYS 30 N -4.36 -7.31 -1.82 3.44 5.02 -1.26 -4.91 118.16 106.96 2ett n LYS 30 Ca -0.36 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 2ett n LYS 30 Cb 0.71 -5.78 -0.03 0.00 -0.02 0.00 0.00 35.03 29.91 2ett n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ett s SER 31 N -3.40 6.53 -0.03 4.39 0.15 -1.26 -4.84 113.70 115.24 2ett s SER 31 Ca 0.56 2.58 0.12 0.00 0.70 0.00 0.00 55.95 59.91 2ett s SER 31 Cb -0.26 -2.55 0.39 0.00 -1.71 0.00 0.00 66.02 61.89 2ett s SER 31 CO 0.75 -0.96 1.29 1.57 1.20 0.00 0.00 173.24 177.10 2ett n HIS 32 N 6.15 0.70 -4.56 3.44 -0.00 -1.26 -4.74 115.22 114.94 2ett n HIS 32 Ca 0.17 -0.31 -0.31 0.00 0.46 0.00 0.00 57.72 57.74 2ett n HIS 32 Cb 0.40 -0.07 -0.12 0.00 -0.12 0.00 0.00 29.99 30.08 2ett n HIS 32 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2ett s MET 33 N -1.56 2.13 0.02 1.57 0.00 -1.26 -0.27 119.30 119.93 2ett s MET 33 Ca 0.29 -0.96 0.03 0.00 0.00 0.00 0.00 55.69 55.05 2ett s MET 33 Cb 0.17 -2.24 -0.01 0.00 0.00 0.00 0.00 34.83 32.74 2ett s MET 33 CO 0.17 0.54 -0.08 0.54 0.00 0.00 0.00 175.02 176.19 2ett s VAL 34 N -0.98 0.62 -0.11 10.11 0.11 0.46 -4.27 120.40 126.34 2ett s VAL 34 Ca 0.16 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2ett s VAL 34 Cb -0.11 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2ett s VAL 34 CO 0.07 -0.06 -0.02 0.72 -3.33 0.00 0.00 175.10 172.48 2ett s PHE 35 N -0.70 3.10 -0.39 1.54 -0.12 -0.80 -0.36 117.98 120.25 2ett s PHE 35 Ca -0.02 0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.83 2ett s PHE 35 Cb -0.06 -1.84 0.07 0.00 -0.63 0.00 0.00 43.02 40.57 2ett s PHE 35 CO 0.00 0.30 0.20 0.50 -0.05 0.00 0.00 175.22 176.18 2ett s ARG 36 N -0.49 2.51 0.42 1.99 3.52 0.13 -0.14 118.95 126.89 2ett s ARG 36 Ca 0.08 -1.44 -0.03 0.00 -0.13 0.00 0.00 55.73 54.22 2ett s ARG 36 Cb -0.12 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2ett s ARG 36 CO 0.02 -0.88 0.68 0.14 -0.81 0.00 0.00 175.30 174.44 2ett s VAL 37 N 1.37 4.99 -0.18 7.11 -7.23 0.14 -3.09 120.40 123.50 2ett s VAL 37 Ca 0.02 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.04 2ett s VAL 37 Cb -0.22 -3.86 0.08 0.00 0.56 0.00 0.00 36.38 32.94 2ett s VAL 37 CO 0.01 -0.71 0.22 -0.70 -0.31 0.00 0.00 175.10 173.60 2ett s GLU 38 N -4.55 0.16 -0.26 4.82 2.12 0.63 0.39 118.70 122.01 2ett s GLU 38 Ca 0.44 0.31 -0.07 0.00 0.36 0.00 0.00 54.97 56.01 2ett s GLU 38 Cb -0.10 -0.97 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 2ett s GLU 38 CO 0.41 -0.57 0.06 0.08 -0.54 0.00 0.00 175.26 174.70 2ett s VAL 39 N 2.33 4.09 -0.26 3.70 1.01 -0.84 -1.11 120.40 129.32 2ett s VAL 39 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2ett s VAL 39 Cb -0.15 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2ett s VAL 39 CO -0.11 0.25 0.03 -0.22 0.00 0.00 0.00 175.10 175.05 2ett s LEU 40 N 1.56 3.38 -0.01 3.92 0.20 0.14 -1.19 118.68 126.68 2ett s LEU 40 Ca 0.05 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.37 2ett s LEU 40 Cb -0.16 -1.83 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2ett s LEU 40 CO 0.02 -0.09 0.02 0.00 -0.29 0.00 0.00 176.35 176.01 2ett n SER 42 N 3.83 -5.15 0.00 0.00 7.64 -0.78 -1.76 113.62 117.40 2ett n SER 42 Ca -0.23 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2ett n SER 42 Cb 0.53 -3.21 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 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 -0.37 2.55 3.67 0.23 0.00 -1.22 -4.77 105.19 105.28 2ett n GLY 43 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2ett n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ett s ARG 44 N -0.65 4.16 -0.11 1.61 6.06 -0.72 -5.06 118.95 124.24 2ett s ARG 44 Ca 0.00 0.10 -0.03 0.00 -2.50 0.00 0.00 55.73 53.30 2ett s ARG 44 Cb 0.00 -3.53 -0.03 0.00 0.06 0.00 0.00 34.95 31.45 2ett s ARG 44 CO 0.00 0.00 0.00 -0.98 -2.50 0.00 0.00 175.30 171.82 2ett s ARG 45 N 1.19 3.21 -0.18 5.12 1.70 -1.26 -0.84 118.95 127.89 2ett s ARG 45 Ca 0.17 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 2ett s ARG 45 Cb -0.14 -2.86 0.04 0.00 -0.57 0.00 0.00 34.95 31.42 2ett s ARG 45 CO 0.07 0.58 -0.11 -3.38 -1.08 0.00 0.00 175.30 171.38 2ett s HIS 46 N -0.53 2.23 -0.38 5.89 -3.43 -0.33 -4.33 115.29 114.41 2ett s HIS 46 Ca 0.09 -1.40 -0.19 0.00 -0.80 0.00 0.00 55.06 52.76 2ett s HIS 46 Cb -0.12 -1.57 0.01 0.00 -1.43 0.00 0.00 32.58 29.47 2ett s HIS 46 CO 0.02 -0.70 0.55 0.99 -2.00 0.00 0.00 174.74 173.60 2ett s THR 47 N 1.46 4.96 -0.19 -5.38 2.01 -1.15 -1.99 115.64 115.38 2ett s THR 47 Ca 0.01 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 2ett s THR 47 Cb -0.15 -4.05 0.05 0.00 0.01 0.00 0.00 72.50 68.36 2ett s THR 47 CO -0.09 -0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.74 2ett s VAL 48 N 2.50 1.28 -0.17 3.82 1.01 0.16 -4.74 120.40 124.27 2ett s VAL 48 Ca 0.19 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2ett s VAL 48 Cb -0.15 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2ett s VAL 48 CO 0.15 0.08 1.37 -2.84 0.00 0.00 0.00 175.10 173.87 2ett s PRO 49 N 1.55 4.14 -0.05 2.72 0.02 -1.26 -0.68 135.00 141.43 2ett s PRO 49 Ca -0.01 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.74 2ett s PRO 49 Cb -0.16 -3.85 0.01 0.00 0.02 0.00 0.00 34.50 30.52 2ett s PRO 49 CO -0.08 -0.85 -0.11 1.03 -0.33 0.00 0.00 177.00 176.66 2ett s ARG 50 N 3.80 1.48 0.61 5.54 1.81 0.80 -4.96 118.95 128.04 2ett s ARG 50 Ca 0.60 -0.39 -0.17 0.00 -1.72 0.00 0.00 55.73 54.05 2ett s ARG 50 Cb -0.23 -1.27 -0.02 0.00 -0.45 0.00 0.00 34.95 32.97 2ett s ARG 50 CO 0.20 0.06 1.13 0.50 -0.68 0.00 0.00 175.30 176.51 2ett s ARG 51 N 0.52 3.00 0.25 3.54 3.52 -1.26 -1.90 118.95 126.62 2ett s ARG 51 Ca -0.11 1.53 -0.05 0.00 -0.13 0.00 0.00 55.73 56.96 2ett s ARG 51 Cb -0.14 -1.96 0.30 0.00 -1.56 0.00 0.00 34.95 31.59 2ett s ARG 51 CO 0.03 -1.12 1.91 -0.92 -0.81 0.00 0.00 175.30 174.39 2ett h TYR 52 N 0.53 1.21 -0.44 5.12 5.03 -1.87 -1.84 116.97 124.71 2ett h TYR 52 Ca -0.48 0.03 0.09 0.00 2.58 0.00 0.00 58.73 60.95 2ett h TYR 52 Cb 1.26 -0.41 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 2ett h TYR 52 CO 0.52 0.72 0.31 0.66 -1.32 0.00 0.00 178.16 179.05 2ett h SER 53 N 1.27 0.16 -0.08 -2.11 4.64 -1.93 0.18 113.55 115.69 2ett h SER 53 Ca 0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 2ett h SER 53 Cb -0.05 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2ett h SER 53 CO -0.11 0.10 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.54 2ett h GLU 54 N 0.18 0.19 -0.01 4.77 4.39 -1.71 0.19 114.58 122.59 2ett h GLU 54 Ca 0.21 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 2ett h GLU 54 Cb 0.58 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2ett h GLU 54 CO -0.03 0.63 -0.61 0.74 -1.16 0.00 0.00 179.01 178.58 2ett h PHE 55 N -0.25 0.04 0.22 4.33 -1.00 -1.47 0.02 116.94 118.83 2ett h PHE 55 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ett h PHE 55 Cb 0.60 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 2ett h PHE 55 CO 0.09 0.63 -0.20 1.25 -1.61 0.00 0.00 178.31 178.47 2ett h HIS 56 N 0.02 -0.52 -0.38 -0.55 2.76 -0.51 0.28 115.15 116.25 2ett h HIS 56 Ca -0.01 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 2ett h HIS 56 Cb 1.08 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 2ett h HIS 56 CO 0.00 -0.30 -0.30 0.00 -1.30 0.00 0.00 177.93 176.04 2ett h ALA 57 N 0.29 0.55 -0.26 5.26 0.00 -0.85 -1.91 119.26 122.33 2ett h ALA 57 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2ett h ALA 57 Cb 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2ett h ALA 57 CO -0.04 0.58 -0.01 1.25 0.00 0.00 0.00 179.25 181.04 2ett h LEU 58 N 0.68 -0.12 -0.56 0.00 5.85 -0.89 -0.17 115.31 120.11 2ett h LEU 58 Ca 0.07 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2ett h LEU 58 Cb 0.88 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2ett h LEU 58 CO 0.08 -0.03 -0.53 -0.74 -0.34 0.00 0.00 178.44 176.88 2ett h HIS 59 N 0.07 0.66 -0.07 1.25 2.76 -0.91 -2.10 115.15 116.81 2ett h HIS 59 Ca 0.13 -0.23 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 2ett h HIS 59 Cb 0.17 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2ett h HIS 59 CO -0.21 0.94 -0.54 0.87 -1.30 0.00 0.00 177.93 177.69 2ett h LYS 60 N 0.41 0.20 -0.01 5.26 1.79 -0.88 -1.06 116.57 122.28 2ett h LYS 60 Ca 0.01 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 2ett h LYS 60 Cb 1.06 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2ett h LYS 60 CO 0.10 0.70 -0.13 -0.09 -1.08 0.00 0.00 179.45 178.94 2ett h ARG 61 N 0.16 0.11 0.00 3.15 2.43 -0.90 -3.29 114.38 116.04 2ett h ARG 61 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2ett h ARG 61 Cb 1.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2ett h ARG 61 CO 0.08 0.82 0.00 0.44 -1.51 0.00 0.00 179.97 179.80 2ett n ILE 62 N -4.61 0.55 0.22 1.20 -5.35 -0.80 -3.02 119.36 107.53 2ett n ILE 62 Ca -0.09 -0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.38 2ett n ILE 62 Cb 0.43 -0.72 0.49 0.00 -1.74 0.00 0.00 39.64 38.10 2ett n ILE 62 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2ett h LYS 63 N 0.00 0.00 0.00 6.28 5.09 -1.26 0.23 116.57 126.92 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 0.57 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 2ett h LYS 63 CO 0.00 0.27 -0.42 -0.22 -2.09 0.00 0.00 179.45 176.99 2ett h LYS 64 N 0.00 0.00 0.00 0.07 3.11 -1.68 -3.41 116.57 114.67 2ett h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ett h LYS 64 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2ett h LYS 64 CO 0.04 0.00 -0.34 -0.11 -2.81 0.00 0.00 179.45 176.22 2ett n LEU 65 N -2.58 1.09 0.00 5.20 -0.00 0.21 -5.06 117.00 115.86 2ett n LEU 65 Ca 0.03 0.45 -0.03 0.00 -0.00 0.00 0.00 56.01 56.45 2ett n LEU 65 Cb 0.49 -0.71 -0.01 0.00 -0.00 0.00 0.00 43.42 43.19 2ett n LEU 65 CO 0.35 -0.47 -0.02 0.00 -0.00 0.00 0.00 177.39 177.25 2ett n TYR 66 N -3.67 0.01 -1.76 1.96 4.11 0.57 -5.07 117.16 113.31 2ett n TYR 66 Ca -0.05 -0.33 -0.43 0.00 -0.00 0.00 0.00 57.90 57.10 2ett n TYR 66 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.49 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 -2.19 3.61 -0.13 -3.48 1.02 -1.26 -4.58 119.74 112.73 2ett s LYS 67 Ca 0.03 2.11 -0.06 0.00 0.02 0.00 0.00 55.97 58.06 2ett s LYS 67 Cb 0.00 -4.22 0.05 0.00 -0.52 0.00 0.00 37.83 33.14 2ett s LYS 67 CO 0.02 -1.55 0.29 0.08 -0.92 0.00 0.00 175.35 173.28 2ett s VAL 68 N 6.32 -0.13 0.00 3.17 1.01 -1.26 -4.71 120.40 124.79 2ett s VAL 68 Ca 0.89 0.16 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2ett s VAL 68 Cb -0.34 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2ett s VAL 68 CO 0.36 0.07 0.00 -0.81 0.00 0.00 0.00 175.10 174.71 2ett n PRO 69 N 4.49 0.57 -1.47 2.72 -0.04 -1.26 -4.94 135.00 135.07 2ett n PRO 69 Ca -0.21 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 2ett n PRO 69 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2ett n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ett n ASP 70 N -1.09 -0.61 -4.98 3.54 9.92 -1.26 -4.99 116.55 117.08 2ett n ASP 70 Ca 0.00 0.95 -0.20 0.00 -0.53 0.00 0.00 54.79 55.01 2ett n ASP 70 Cb 0.00 -1.13 -0.01 0.00 -0.64 0.00 0.00 41.12 39.33 2ett n ASP 70 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2ett s PHE 71 N -1.41 3.28 0.66 1.24 -0.12 -1.26 -4.89 117.98 115.49 2ett s PHE 71 Ca 0.63 -0.12 -0.13 0.00 -0.05 0.00 0.00 56.93 57.26 2ett s PHE 71 Cb -0.62 -1.78 -0.00 0.00 -0.63 0.00 0.00 43.02 39.98 2ett s PHE 71 CO 0.58 0.22 1.06 -2.14 -0.05 0.00 0.00 175.22 174.89 2ett s PRO 72 N -4.08 3.00 0.16 1.99 0.02 -1.26 -5.05 135.00 129.79 2ett s PRO 72 Ca 0.39 1.09 -0.16 0.00 0.02 0.00 0.00 61.00 62.34 2ett s PRO 72 Cb -0.09 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 2ett s PRO 72 CO 0.30 -1.05 0.59 0.45 -0.33 0.00 0.00 177.00 176.96 2ett s SER 73 N -3.33 6.90 0.14 2.53 0.15 -1.26 -4.97 113.70 113.86 2ett s SER 73 Ca 0.61 1.17 0.24 0.00 0.70 0.00 0.00 55.95 58.68 2ett s SER 73 Cb -0.15 -2.33 0.43 0.00 -1.71 0.00 0.00 66.02 62.26 2ett s SER 73 CO 0.48 0.10 1.40 2.29 1.20 0.00 0.00 173.24 178.71 2ett n LYS 74 N 0.86 0.29 -3.87 5.44 2.85 -1.26 -4.63 118.16 117.84 2ett n LYS 74 Ca -0.05 0.11 -0.36 0.00 -1.05 0.00 0.00 58.31 56.96 2ett n LYS 74 Cb 0.52 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 33.05 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 -3.15 3.19 0.18 -1.58 1.81 -1.26 -4.51 118.95 113.62 2ett s ARG 75 Ca 0.07 -0.76 0.10 0.00 -1.72 0.00 0.00 55.73 53.42 2ett s ARG 75 Cb 0.13 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.47 2ett s ARG 75 CO 0.70 -0.31 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.35 2ett s LEU 76 N 1.46 2.77 0.79 2.53 1.43 -1.26 -5.13 118.68 121.26 2ett s LEU 76 Ca 0.04 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2ett s LEU 76 Cb -0.16 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2ett s LEU 76 CO -0.02 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 2ett s PRO 77 N -2.73 2.15 0.00 1.29 0.04 -1.26 -4.92 135.00 129.56 2ett s PRO 77 Ca 0.23 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.41 2ett s PRO 77 Cb -0.09 -1.90 0.66 0.00 0.04 0.00 0.00 34.50 33.21 2ett s PRO 77 CO 0.13 -1.67 1.43 -1.71 0.04 0.00 0.00 177.00 175.22 2ett n ASN 78 N -3.52 0.00 0.00 6.66 2.85 -1.26 -4.84 115.26 115.15 2ett n ASN 78 Ca 0.08 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2ett n ASN 78 Cb 0.54 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.14 2ett n ASN 78 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2ett n TRP 79 N -1.42 0.00 0.12 1.20 7.02 -1.26 -4.90 117.44 118.21 2ett n TRP 79 Ca 0.05 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.52 2ett n TRP 79 Cb 0.15 -0.05 0.07 0.00 -2.42 0.00 0.00 31.31 29.06 2ett n TRP 79 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2ett h ARG 80 N 1.72 0.00 -0.19 -0.99 0.11 -1.98 -3.29 114.38 109.76 2ett h ARG 80 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2ett h ARG 80 Cb 0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2ett h ARG 80 CO 0.00 0.66 -0.18 1.15 0.10 0.00 0.00 179.97 181.70 2ett h THR 81 N 0.00 1.33 -4.03 0.08 2.02 -1.98 -3.46 112.91 106.87 2ett h THR 81 Ca -0.01 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2ett h THR 81 Cb 1.36 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2ett h THR 81 CO 0.09 0.40 -0.01 0.54 0.37 0.00 0.00 175.52 176.91 2ett n ARG 82 N -4.47 1.58 -3.48 6.66 3.00 -1.24 -5.14 116.66 113.56 2ett n ARG 82 Ca -0.05 -0.07 -0.22 0.00 -0.01 0.00 0.00 57.85 57.50 2ett n ARG 82 Cb 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 32.46 32.86 2ett n ARG 82 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ett s GLY 83 N -1.46 2.10 0.24 -0.13 0.00 -1.26 -4.90 107.32 101.90 2ett s GLY 83 Ca 0.01 -1.76 0.24 0.00 0.00 0.00 0.00 44.72 43.21 2ett s GLY 83 CO 0.00 -1.74 1.71 1.04 0.00 0.00 0.00 173.10 174.12 2ett n LEU 84 N -1.78 0.65 0.04 0.66 7.99 -1.26 -2.59 117.00 120.71 2ett n LEU 84 Ca 0.05 0.65 0.17 0.00 -0.01 0.00 0.00 56.01 56.87 2ett n LEU 84 Cb 0.62 -0.54 0.66 0.00 -0.11 0.00 0.00 43.42 44.05 2ett n LEU 84 CO 0.41 -0.50 1.16 -0.33 -1.51 0.00 0.00 177.39 176.62 2ett h GLU 85 N 0.00 0.04 -0.15 3.23 5.08 -1.97 0.20 114.58 121.01 2ett h GLU 85 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ett h GLU 85 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ett h GLU 85 CO 0.00 0.03 0.06 0.37 -1.00 0.00 0.00 179.01 178.47 2ett h GLN 86 N 0.04 0.22 -0.21 2.33 4.15 -1.91 0.31 115.11 120.04 2ett h GLN 86 Ca 0.21 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2ett h GLN 86 Cb 0.78 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2ett h GLN 86 CO -0.01 0.31 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.08 2ett h ARG 87 N 0.08 0.39 -0.02 1.69 2.43 -1.47 -1.42 114.38 116.07 2ett h ARG 87 Ca 0.05 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2ett h ARG 87 Cb 0.17 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2ett h ARG 87 CO -0.00 0.62 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.87 2ett h ARG 88 N 0.12 -0.19 -0.34 0.20 1.12 -0.57 -2.76 114.38 111.97 2ett h ARG 88 Ca 0.05 0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.81 2ett h ARG 88 Cb 0.47 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2ett h ARG 88 CO 0.02 -0.13 -0.30 0.37 -3.11 0.00 0.00 179.97 176.82 2ett h GLN 89 N -0.20 0.73 -0.04 0.20 4.15 -0.35 -1.19 115.11 118.42 2ett h GLN 89 Ca 0.05 -0.33 0.02 0.00 0.77 0.00 0.00 58.65 59.16 2ett h GLN 89 Cb 0.26 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2ett h GLN 89 CO -0.13 0.94 -0.08 0.78 -1.93 0.00 0.00 178.83 178.41 2ett h GLY 90 N 0.96 -0.06 1.42 2.39 0.00 -1.08 0.67 103.07 107.37 2ett h GLY 90 Ca 0.07 0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.31 2ett h GLY 90 CO 0.07 -0.09 -0.70 1.41 0.00 0.00 0.00 176.54 177.23 2ett h LEU 91 N -0.12 0.68 -1.05 3.11 -0.00 -1.46 -2.71 115.31 113.77 2ett h LEU 91 Ca 0.05 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 2ett h LEU 91 Cb 0.19 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 2ett h LEU 91 CO -0.11 1.18 0.35 -0.08 -0.00 0.00 0.00 178.44 179.78 2ett h GLU 92 N 0.41 1.03 -0.34 1.13 4.81 -0.95 0.21 114.58 120.88 2ett h GLU 92 Ca -0.03 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 2ett h GLU 92 Cb 1.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2ett h GLU 92 CO 0.13 0.79 -0.01 0.00 -0.73 0.00 0.00 179.01 179.19 2ett h ALA 93 N 1.36 0.46 -0.22 2.92 0.00 -0.82 -0.95 119.26 122.02 2ett h ALA 93 Ca 0.25 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ett h ALA 93 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ett h ALA 93 CO -0.03 0.23 -0.11 1.88 0.00 0.00 0.00 179.25 181.21 2ett h TYR 94 N 0.41 0.54 -0.28 0.00 0.05 -1.06 -0.26 116.97 116.38 2ett h TYR 94 Ca 0.10 -0.14 -0.13 0.00 0.05 0.00 0.00 58.73 58.61 2ett h TYR 94 Cb 0.46 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 2ett h TYR 94 CO 0.04 0.75 -0.33 0.82 -1.05 0.00 0.00 178.16 178.39 2ett h ILE 95 N 0.18 1.30 -0.02 -2.88 1.08 -0.64 -2.31 117.51 114.21 2ett h ILE 95 Ca 0.05 -1.50 -0.12 0.00 -0.39 0.00 0.00 64.86 62.90 2ett h ILE 95 Cb 0.61 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 2ett h ILE 95 CO 0.03 0.48 -0.54 -0.61 -0.69 0.00 0.00 178.15 176.83 2ett h GLN 96 N 0.47 0.05 0.62 2.37 4.15 -1.23 -2.56 115.11 118.99 2ett h GLN 96 Ca 0.04 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2ett h GLN 96 Cb 0.90 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2ett h GLN 96 CO 0.08 0.57 -0.40 0.78 -1.93 0.00 0.00 178.83 177.93 2ett h GLY 97 N 1.57 -1.06 1.75 2.39 0.00 -0.79 0.57 103.07 107.50 2ett h GLY 97 Ca -0.00 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2ett h GLY 97 CO 0.07 -0.37 0.11 0.16 0.00 0.00 0.00 176.54 176.51 2ett h ILE 98 N -0.97 1.09 -0.41 2.60 3.07 -1.43 0.23 117.51 121.70 2ett h ILE 98 Ca -0.08 -0.26 -0.10 0.00 1.55 0.00 0.00 64.86 65.98 2ett h ILE 98 Cb 0.79 0.79 -0.02 0.00 -0.27 0.00 0.00 36.82 38.11 2ett h ILE 98 CO 0.07 0.10 -0.14 0.25 -1.05 0.00 0.00 178.15 177.39 2ett h LEU 99 N 0.34 0.73 0.08 0.16 6.46 -1.12 -2.29 115.31 119.66 2ett h LEU 99 Ca 0.09 -0.22 -0.26 0.00 -0.12 0.00 0.00 57.88 57.36 2ett h LEU 99 Cb 0.05 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2ett h LEU 99 CO -0.01 0.88 -1.25 0.22 -0.62 0.00 0.00 178.44 177.66 2ett h TYR 100 N 0.66 0.29 0.58 1.25 3.20 0.29 -2.98 116.97 120.26 2ett h TYR 100 Ca 0.11 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2ett h TYR 100 Cb 0.61 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.87 2ett h TYR 100 CO 0.03 1.19 -0.28 -0.07 -1.64 0.00 0.00 178.16 177.39 2ett h LEU 101 N 0.04 -0.66 0.00 2.82 3.38 -0.34 -3.48 115.31 117.08 2ett h LEU 101 Ca -0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2ett h LEU 101 Cb 1.92 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2ett h LEU 101 CO 0.16 -0.35 0.00 -3.20 0.09 0.00 0.00 178.44 175.15 2ett n ASN 102 N -5.36 -0.05 -0.39 -0.43 2.85 -0.88 -4.97 115.26 106.02 2ett n ASN 102 Ca -0.12 0.02 0.12 0.00 -0.11 0.00 0.00 54.58 54.49 2ett n ASN 102 Cb 0.34 0.28 0.51 0.00 1.24 0.00 0.00 39.78 42.15 2ett n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ett n GLN 103 N -2.52 1.53 0.00 1.20 1.13 -1.24 -5.01 117.38 112.47 2ett n GLN 103 Ca 0.00 -0.78 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 2ett n GLN 103 Cb 0.00 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 28.93 2ett n GLN 103 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2ett n GLU 104 N -0.02 0.00 -1.65 -1.09 1.02 -1.12 -4.51 120.64 113.26 2ett n GLU 104 Ca 0.18 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.87 2ett n GLU 104 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.66 2ett n GLU 104 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2ett n VAL 105 N 0.00 0.64 -1.68 2.62 3.14 -1.26 -3.61 118.33 118.17 2ett n VAL 105 Ca 0.00 -0.18 -0.59 0.00 -2.96 0.00 0.00 64.34 60.61 2ett n VAL 105 Cb 0.00 -2.21 -0.08 0.00 -1.06 0.00 0.00 33.84 30.49 2ett n VAL 105 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2ett n PRO 106 N 7.50 0.93 0.29 1.45 -0.04 -1.26 -4.82 135.00 139.05 2ett n PRO 106 Ca 0.23 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 64.19 2ett n PRO 106 Cb 0.38 -2.02 0.89 0.00 -0.04 0.00 0.00 33.50 32.71 2ett n PRO 106 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2ett h LYS 107 N 7.32 0.00 -0.14 0.54 3.11 -1.87 0.11 116.57 125.64 2ett h LYS 107 Ca -0.43 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.29 2ett h LYS 107 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.55 2ett h LYS 107 CO 0.98 0.05 -0.42 1.49 -2.81 0.00 0.00 179.45 178.74 2ett h GLU 108 N 0.00 0.31 0.01 1.90 4.81 -1.98 0.76 114.58 120.39 2ett h GLU 108 Ca -0.00 -0.15 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 2ett h GLU 108 Cb 0.19 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2ett h GLU 108 CO 0.01 0.68 -0.92 1.25 -0.73 0.00 0.00 179.01 179.30 2ett h LEU 109 N 0.26 0.30 -0.58 1.64 5.85 -1.18 0.26 115.31 121.87 2ett h LEU 109 Ca 0.02 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.52 2ett h LEU 109 Cb 0.85 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2ett h LEU 109 CO 0.07 1.07 0.34 0.25 -0.34 0.00 0.00 178.44 179.83 2ett h LEU 110 N 0.12 0.53 -0.51 2.25 7.12 -0.85 -0.20 115.31 123.77 2ett h LEU 110 Ca -0.06 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 2ett h LEU 110 Cb 1.56 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.59 2ett h LEU 110 CO 0.14 0.37 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.58 2ett h GLU 111 N 0.66 0.00 0.02 1.25 4.57 -0.65 0.12 114.58 120.55 2ett h GLU 111 Ca 0.24 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2ett h GLU 111 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2ett h GLU 111 CO -0.12 0.16 -0.01 0.35 -1.18 0.00 0.00 179.01 178.21 2ett h PHE 112 N 0.00 -0.02 -0.26 0.92 3.57 0.74 -3.33 116.94 118.56 2ett h PHE 112 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ett h PHE 112 Cb 0.94 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2ett h PHE 112 CO 0.00 0.74 0.00 1.28 -2.23 0.00 0.00 178.31 178.10 2ett n LEU 113 N -4.71 2.85 -2.77 0.59 4.32 -0.41 -4.95 117.00 111.92 2ett n LEU 113 Ca -0.09 -1.49 -0.14 0.00 -0.02 0.00 0.00 56.01 54.28 2ett n LEU 113 Cb 0.37 -0.17 0.06 0.00 -1.62 0.00 0.00 43.42 42.07 2ett n LEU 113 CO 0.31 0.62 0.11 -1.14 -1.22 0.00 0.00 177.39 176.07 2ett n ARG 114 N 0.95 -5.11 0.00 3.23 0.63 -0.41 -4.89 116.66 111.07 2ett n ARG 114 Ca 0.13 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 2ett n ARG 114 Cb 0.46 -4.97 0.00 0.00 0.45 0.00 0.00 32.46 28.40 2ett n ARG 114 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ett n LEU 115 N -3.42 0.07 -4.67 6.15 4.77 0.29 -4.62 117.00 115.56 2ett n LEU 115 Ca -0.16 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 2ett n LEU 115 Cb 0.60 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2ett n LEU 115 CO 0.45 0.02 0.90 -0.60 -1.33 0.00 0.00 177.39 176.83 2ett s ARG 116 N -1.88 4.33 -2.05 3.23 3.52 -1.26 -2.82 118.95 122.02 2ett s ARG 116 Ca 0.00 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.04 2ett s ARG 116 Cb 0.00 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 2ett s ARG 116 CO 0.00 -0.50 0.00 1.58 -0.81 0.00 0.00 175.30 175.57 2ett n HIS 117 N 5.75 0.00 -1.69 5.12 -0.00 -1.26 -4.91 115.22 118.24 2ett n HIS 117 Ca 0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 2ett n HIS 117 Cb 0.47 -3.29 -0.01 0.00 -0.00 0.00 0.00 29.99 27.16 2ett n HIS 117 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2ett n PHE 118 N -2.42 2.17 -0.69 1.57 7.35 -1.13 -4.96 117.46 119.36 2ett n PHE 118 Ca -0.19 0.56 -0.29 0.00 -0.76 0.00 0.00 57.45 56.77 2ett n PHE 118 Cb 0.65 -2.40 0.25 0.00 0.35 0.00 0.00 39.48 38.32 2ett n PHE 118 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2ett s PRO 119 N -1.71 -1.16 0.32 -7.13 0.04 -1.26 -4.57 135.00 119.53 2ett s PRO 119 Ca 0.57 0.51 0.03 0.00 0.04 0.00 0.00 61.00 62.15 2ett s PRO 119 Cb -0.59 -1.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2ett s PRO 119 CO 0.61 -3.80 0.13 -0.08 0.04 0.00 0.00 177.00 173.89 2ett s THR 120 N -2.58 0.56 -0.01 1.26 -1.32 -1.26 -2.91 115.64 109.38 2ett s THR 120 Ca 0.68 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.24 2ett s THR 120 Cb -0.20 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.23 2ett s THR 120 CO 0.61 0.00 -0.26 -1.81 -2.21 0.00 0.00 174.62 170.96 2ett s ASP 121 N -3.44 3.01 0.38 8.08 1.01 -1.26 -4.91 116.67 119.55 2ett s ASP 121 Ca 0.33 -0.48 0.08 0.00 0.71 0.00 0.00 52.55 53.18 2ett s ASP 121 Cb 0.05 -0.32 0.76 0.00 1.01 0.00 0.00 42.92 44.43 2ett s ASP 121 CO 0.16 0.30 1.95 -0.65 0.21 0.00 0.00 175.17 177.14 2ett h PRO 122 N 5.37 0.39 -3.58 8.23 0.11 -2.01 -3.28 132.00 137.22 2ett h PRO 122 Ca -0.43 -0.07 -0.77 0.00 0.11 0.00 0.00 66.00 64.84 2ett h PRO 122 Cb 1.13 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 31.97 2ett h PRO 122 CO 0.46 0.41 1.50 1.63 -0.21 0.00 0.00 178.00 181.80 2ett n LYS 123 N -4.34 3.78 -0.22 1.05 5.02 -1.26 -3.91 118.16 118.29 2ett n LYS 123 Ca 0.01 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 2ett n LYS 123 Cb 0.20 -2.82 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 2ett n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ett n ALA 124 N 3.48 1.44 -2.56 7.82 0.00 -1.24 -5.03 120.51 124.42 2ett n ALA 124 Ca 0.35 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 2ett n ALA 124 Cb 0.37 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 2ett n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ett s SER 125 N -0.17 3.05 -0.03 0.00 1.04 -1.25 -4.81 113.70 111.52 2ett s SER 125 Ca 0.00 -1.55 -0.04 0.00 0.48 0.00 0.00 55.95 54.84 2ett s SER 125 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2ett s SER 125 CO 0.00 -0.77 -0.08 -3.20 0.98 0.00 0.00 173.24 170.18 2ett n ASN 126 N -1.07 0.51 -0.28 7.02 4.05 -1.26 -4.80 115.26 119.43 2ett n ASN 126 Ca -0.07 0.08 0.03 0.00 0.45 0.00 0.00 54.58 55.06 2ett n ASN 126 Cb 0.66 -0.44 0.06 0.00 1.23 0.00 0.00 39.78 41.29 2ett n ASN 126 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2ett n TRP 127 N -3.00 0.17 1.19 1.20 7.02 -1.26 -5.20 117.44 117.55 2ett n TRP 127 Ca -0.03 -0.38 0.13 0.00 -1.02 0.00 0.00 57.50 56.19 2ett n TRP 127 Cb 0.11 -0.03 0.26 0.00 -2.42 0.00 0.00 31.31 29.23 2ett n TRP 127 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08