#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2x s VAL 17 N 0.00 3.65 -1.16 1.39 1.01 -0.05 -3.99 120.40 121.24 2a2x s VAL 17 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2a2x s VAL 17 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2a2x s VAL 17 CO 0.00 0.51 0.89 -0.62 0.00 0.00 0.00 175.10 175.88 2a2x n GLU 18 N 3.37 -6.13 0.00 2.72 -0.58 -1.26 -2.36 120.64 116.41 2a2x n GLU 18 Ca -0.18 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 2a2x n GLU 18 Cb 0.53 -5.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 2a2x n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a2x n GLY 19 N -1.69 3.50 3.57 0.62 0.00 -1.26 -4.73 105.19 105.20 2a2x n GLY 19 Ca -0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2a2x n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a2x s SER 20 N -0.01 -0.43 0.30 1.61 1.04 -1.01 -4.94 113.70 110.26 2a2x s SER 20 Ca 0.00 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 2a2x s SER 20 Cb 0.00 0.58 -0.11 0.00 0.10 0.00 0.00 66.02 66.59 2a2x s SER 20 CO 0.00 -1.00 1.56 -1.81 0.98 0.00 0.00 173.24 172.98 2a2x s ASP 21 N -2.76 6.39 0.67 7.02 -0.00 -1.26 -1.15 116.67 125.57 2a2x s ASP 21 Ca 0.05 2.94 -0.11 0.00 -0.00 0.00 0.00 52.55 55.43 2a2x s ASP 21 Cb -0.02 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.25 2a2x s ASP 21 CO -0.06 -0.89 1.05 0.00 -0.00 0.00 0.00 175.17 175.27 2a2x s ALA 22 N -0.18 2.85 0.25 5.23 0.00 0.11 -4.82 121.76 125.20 2a2x s ALA 22 Ca 0.61 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2a2x s ALA 22 Cb -0.47 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2a2x s ALA 22 CO 0.50 -1.02 0.42 -1.83 0.00 0.00 0.00 175.76 173.83 2a2x s GLU 23 N -5.12 3.48 0.20 0.00 -1.05 -1.26 -4.92 118.70 110.02 2a2x s GLU 23 Ca 0.57 -0.50 -0.32 0.00 -0.15 0.00 0.00 54.97 54.57 2a2x s GLU 23 Cb -0.13 -2.81 -0.14 0.00 -0.44 0.00 0.00 34.13 30.61 2a2x s GLU 23 CO 0.54 0.35 1.36 -0.89 0.95 0.00 0.00 175.26 177.57 2a2x n ILE 24 N -1.24 0.72 -1.05 1.83 2.08 -1.26 -1.80 119.36 118.65 2a2x n ILE 24 Ca -0.06 -0.18 -0.02 0.00 0.56 0.00 0.00 62.75 63.05 2a2x n ILE 24 Cb 0.56 -1.25 -0.01 0.00 -0.75 0.00 0.00 39.64 38.18 2a2x n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a2x n GLY 25 N 2.32 0.39 0.17 7.39 0.00 -1.26 -4.90 105.19 109.30 2a2x n GLY 25 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2a2x n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2a2x h MET 26 N 0.40 0.00 -2.02 1.61 -1.53 -1.73 -3.36 114.93 108.30 2a2x h MET 26 Ca -0.03 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.67 2a2x h MET 26 Cb 0.56 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.22 2a2x h MET 26 CO 0.05 0.46 -1.07 0.43 0.14 0.00 0.00 176.91 176.92 2a2x n SER 27 N -3.65 0.59 0.00 1.39 7.64 -1.26 -4.98 113.62 113.35 2a2x n SER 27 Ca -0.01 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2a2x n SER 27 Cb 0.54 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2a2x n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2a2x n PRO 28 N 1.20 0.00 0.00 1.43 -0.04 -1.26 -1.42 135.00 134.92 2a2x n PRO 28 Ca 0.22 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2a2x n PRO 28 Cb 0.54 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2a2x n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2a2x n TRP 29 N -1.23 0.00 -1.96 0.54 2.14 -1.10 -0.70 117.44 115.13 2a2x n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2a2x n TRP 29 Cb 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 2a2x n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2a2x s GLN 30 N -1.66 4.21 0.10 -2.67 2.00 -0.50 -0.77 119.66 120.37 2a2x s GLN 30 Ca 0.12 2.30 0.10 0.00 -2.00 0.00 0.00 55.36 55.87 2a2x s GLN 30 Cb 0.11 -3.53 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 2a2x s GLN 30 CO 0.34 -0.70 -0.25 0.08 -0.50 0.00 0.00 175.29 174.26 2a2x s VAL 31 N 2.39 2.36 -0.16 1.34 1.01 0.19 -4.07 120.40 123.46 2a2x s VAL 31 Ca 0.72 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2a2x s VAL 31 Cb -0.39 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2a2x s VAL 31 CO 0.32 0.17 -0.10 -0.32 0.00 0.00 0.00 175.10 175.16 2a2x s MET 32 N -1.85 3.38 -0.45 2.72 1.75 -0.65 -0.93 119.30 123.26 2a2x s MET 32 Ca 0.14 -0.67 -0.23 0.00 -1.25 0.00 0.00 55.69 53.69 2a2x s MET 32 Cb -0.10 -2.75 0.03 0.00 2.84 0.00 0.00 34.83 34.85 2a2x s MET 32 CO 0.06 0.08 0.77 -0.51 -0.65 0.00 0.00 175.02 174.77 2a2x s LEU 33 N 0.71 4.29 -0.16 4.11 1.02 0.30 -1.51 118.68 127.45 2a2x s LEU 33 Ca -0.05 -0.16 -0.05 0.00 0.02 0.00 0.00 54.13 53.89 2a2x s LEU 33 Cb -0.15 -2.92 -0.03 0.00 0.02 0.00 0.00 46.19 43.10 2a2x s LEU 33 CO 0.02 -0.91 0.01 0.12 0.02 0.00 0.00 176.35 175.60 2a2x s PHE 34 N 3.25 3.14 0.07 0.29 5.36 -0.01 -0.71 117.98 129.37 2a2x s PHE 34 Ca 0.29 -0.08 -0.25 0.00 -0.96 0.00 0.00 56.93 55.93 2a2x s PHE 34 Cb -0.12 -1.99 -0.06 0.00 -0.34 0.00 0.00 43.02 40.51 2a2x s PHE 34 CO 0.22 0.11 0.76 0.50 -1.46 0.00 0.00 175.22 175.35 2a2x s ARG 35 N 0.21 4.50 0.05 10.12 3.52 -0.71 0.32 118.95 136.97 2a2x s ARG 35 Ca 0.01 1.08 -0.19 0.00 -0.13 0.00 0.00 55.73 56.50 2a2x s ARG 35 Cb -0.13 -3.34 -0.13 0.00 -1.56 0.00 0.00 34.95 29.79 2a2x s ARG 35 CO 0.02 0.35 1.36 0.87 -0.81 0.00 0.00 175.30 177.09 2a2x h LYS 36 N 5.35 0.46 -2.21 5.12 1.57 -1.83 -3.14 116.57 121.89 2a2x h LYS 36 Ca -0.45 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 57.95 2a2x h LYS 36 Cb 1.21 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 2a2x h LYS 36 CO 0.70 0.82 -0.44 0.45 -0.57 0.00 0.00 179.45 180.40 2a2x s SER 36 N -6.27 0.08 0.54 0.86 0.15 -1.26 -3.17 113.70 104.63 2a2x s SER 36 Ca -0.14 0.54 -0.18 0.00 0.70 0.00 0.00 55.95 56.87 2a2x s SER 36 Cb 0.06 1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 65.47 2a2x s SER 36 CO 0.78 -0.27 1.06 -2.16 1.20 0.00 0.00 173.24 173.85 2a2x s PRO 37 N 2.56 3.51 -0.39 5.44 0.04 -1.26 -5.06 135.00 139.83 2a2x s PRO 37 Ca 0.06 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.16 2a2x s PRO 37 Cb -0.14 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2a2x s PRO 37 CO -0.14 -0.67 1.90 -0.65 0.04 0.00 0.00 177.00 177.48 2a2x s GLN 38 N -3.61 3.08 0.12 4.56 -0.21 -1.19 -4.64 119.66 117.76 2a2x s GLN 38 Ca 0.67 1.31 -0.21 0.00 0.02 0.00 0.00 55.36 57.15 2a2x s GLN 38 Cb -0.17 -4.28 0.06 0.00 1.00 0.00 0.00 33.01 29.61 2a2x s GLN 38 CO 0.28 -2.17 0.53 -1.83 -2.12 0.00 0.00 175.29 169.98 2a2x s GLU 39 N 6.21 1.17 0.21 2.91 -1.05 -1.19 -4.99 118.70 121.97 2a2x s GLU 39 Ca 0.80 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 54.84 2a2x s GLU 39 Cb -0.21 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 2a2x s GLU 39 CO 0.30 -0.48 1.43 -1.17 0.95 0.00 0.00 175.26 176.30 2a2x s LEU 40 N -2.59 4.39 -0.14 1.83 2.96 -1.26 -1.75 118.68 122.11 2a2x s LEU 40 Ca 0.00 2.58 -0.09 0.00 -0.22 0.00 0.00 54.13 56.40 2a2x s LEU 40 Cb -0.00 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 2a2x s LEU 40 CO -0.10 -0.69 -0.21 -0.11 -1.32 0.00 0.00 176.35 173.92 2a2x n LEU 41 N 2.84 1.28 -3.83 -0.68 7.94 0.11 -4.88 117.00 119.78 2a2x n LEU 41 Ca 0.08 0.22 -0.06 0.00 -1.11 0.00 0.00 56.01 55.14 2a2x n LEU 41 Cb 0.41 -0.51 0.01 0.00 0.53 0.00 0.00 43.42 43.85 2a2x n LEU 41 CO 0.60 0.14 0.62 0.00 -1.11 0.00 0.00 177.39 177.65 2a2x s GLY 43 N -3.10 1.96 0.17 0.00 0.00 0.25 -0.54 107.32 106.07 2a2x s GLY 43 Ca 0.16 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 42.99 2a2x s GLY 43 CO 0.07 -1.51 0.89 0.00 0.00 0.00 0.00 173.10 172.55 2a2x n ALA 44 N -1.83 -2.29 -3.10 3.20 0.00 -0.10 -3.62 120.51 112.76 2a2x n ALA 44 Ca 0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 2a2x n ALA 44 Cb 0.59 0.53 -0.11 0.00 0.00 0.00 0.00 19.45 20.47 2a2x n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a2x s SER 45 N -3.11 -0.05 -0.32 0.00 1.04 -0.17 -0.64 113.70 110.45 2a2x s SER 45 Ca 0.20 -0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 2a2x s SER 45 Cb -0.03 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2a2x s SER 45 CO 0.05 -0.28 0.60 -0.22 0.98 0.00 0.00 173.24 174.38 2a2x s LEU 46 N -0.91 4.19 0.00 2.42 2.96 0.05 -0.41 118.68 126.99 2a2x s LEU 46 Ca -0.10 0.31 0.15 0.00 -0.22 0.00 0.00 54.13 54.27 2a2x s LEU 46 Cb -0.05 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 2a2x s LEU 46 CO 0.01 -0.49 0.77 2.30 -1.32 0.00 0.00 176.35 177.63 2a2x n ILE 47 N 5.42 0.00 -3.88 6.68 -5.35 -0.83 -1.81 119.36 119.59 2a2x n ILE 47 Ca -0.02 -0.28 -0.01 0.00 -0.27 0.00 0.00 62.75 62.16 2a2x n ILE 47 Cb 0.49 1.13 0.02 0.00 -1.74 0.00 0.00 39.64 39.54 2a2x n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2a2x n SER 48 N -0.49 -1.42 0.00 7.28 3.41 -1.23 -4.75 113.62 116.42 2a2x n SER 48 Ca 0.05 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.11 2a2x n SER 48 Cb 0.30 2.28 0.55 0.00 -0.26 0.00 0.00 64.21 67.08 2a2x n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2a2x n ASP 49 N -1.15 0.00 0.00 4.04 5.68 -1.26 -3.73 116.55 120.13 2a2x n ASP 49 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2a2x n ASP 49 Cb 0.52 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2a2x n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a2x n ARG 50 N -1.30 2.41 -4.79 0.11 5.12 -1.26 -1.02 116.66 115.93 2a2x n ARG 50 Ca 0.10 -0.07 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 2a2x n ARG 50 Cb 0.18 -0.39 -0.16 0.00 -1.16 0.00 0.00 32.46 30.93 2a2x n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2a2x s TRP 51 N -0.36 1.72 0.05 -1.55 0.52 -1.24 -0.79 118.94 117.28 2a2x s TRP 51 Ca 0.00 -0.58 0.08 0.00 0.02 0.00 0.00 56.10 55.63 2a2x s TRP 51 Cb 0.00 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 2a2x s TRP 51 CO 0.00 -0.24 -0.23 0.14 0.02 0.00 0.00 176.95 176.65 2a2x s VAL 52 N 0.30 2.46 -0.02 4.03 -7.23 -0.42 -1.96 120.40 117.55 2a2x s VAL 52 Ca -0.10 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2a2x s VAL 52 Cb -0.14 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2a2x s VAL 52 CO 0.04 0.33 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.87 2a2x s LEU 53 N -1.39 3.15 0.00 1.32 2.96 0.45 -1.12 118.68 124.06 2a2x s LEU 53 Ca 0.13 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 2a2x s LEU 53 Cb -0.10 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.88 2a2x s LEU 53 CO 0.04 0.31 0.71 1.07 -1.32 0.00 0.00 176.35 177.16 2a2x n THR 54 N 1.83 0.00 -3.04 3.68 5.66 -0.87 -1.00 114.28 120.53 2a2x n THR 54 Ca -0.16 -1.09 -0.37 0.00 -3.05 0.00 0.00 64.05 59.37 2a2x n THR 54 Cb 0.53 0.97 -0.06 0.00 -1.55 0.00 0.00 70.33 70.22 2a2x n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a2x s ALA 55 N -2.16 3.41 0.37 1.79 0.00 -1.26 -1.49 121.76 122.42 2a2x s ALA 55 Ca 0.18 0.25 0.11 0.00 0.00 0.00 0.00 51.96 52.50 2a2x s ALA 55 Cb -0.04 -2.88 0.70 0.00 0.00 0.00 0.00 23.12 20.90 2a2x s ALA 55 CO 0.13 0.31 1.83 0.00 0.00 0.00 0.00 175.76 178.02 2a2x h ALA 56 N 3.71 1.38 0.00 0.00 0.00 -1.72 -2.71 119.26 119.92 2a2x h ALA 56 Ca -0.48 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2a2x h ALA 56 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2a2x h ALA 56 CO 0.65 0.46 0.00 -2.39 0.00 0.00 0.00 179.25 177.97 2a2x n HIS 57 N -4.12 0.00 0.19 0.00 1.44 -1.26 -1.11 115.22 110.35 2a2x n HIS 57 Ca -0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.77 2a2x n HIS 57 Cb 0.39 -0.32 0.13 0.00 0.12 0.00 0.00 29.99 30.31 2a2x n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2a2x n LEU 59 N -3.17 2.91 -3.87 0.00 4.77 -0.45 -4.86 117.00 112.33 2a2x n LEU 59 Ca 0.03 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 2a2x n LEU 59 Cb 0.61 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 41.06 2a2x n LEU 59 CO 0.37 0.72 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.51 2a2x s LEU 60 N -5.79 1.05 0.05 2.23 0.20 -0.27 -1.01 118.68 115.13 2a2x s LEU 60 Ca -0.18 -0.23 -0.27 0.00 0.69 0.00 0.00 54.13 54.13 2a2x s LEU 60 Cb 0.05 -0.71 0.09 0.00 -0.43 0.00 0.00 46.19 45.19 2a2x s LEU 60 CO 0.32 -0.13 0.83 -0.47 -0.29 0.00 0.00 176.35 176.62 2a2x s TYR 60 N 1.70 -0.37 0.00 5.38 5.04 -0.19 -4.10 117.35 124.81 2a2x s TYR 60 Ca 0.03 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2a2x s TYR 60 Cb -0.13 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.74 2a2x s TYR 60 CO -0.06 -0.64 0.00 -2.30 -1.34 0.00 0.00 175.55 171.20 2a2x n PRO 60 N -0.29 0.00 -0.27 4.97 -0.02 -1.26 -2.35 135.00 135.78 2a2x n PRO 60 Ca -0.10 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.47 2a2x n PRO 60 Cb 0.62 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.30 2a2x n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2a2x n TRP 60 N 0.00 0.47 -3.50 6.00 8.01 -1.26 -4.97 117.44 122.19 2a2x n TRP 60 Ca 0.00 -0.96 -0.26 0.00 -1.31 0.00 0.00 57.50 54.97 2a2x n TRP 60 Cb 0.00 -0.24 0.01 0.00 -2.01 0.00 0.00 31.31 29.07 2a2x n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2a2x n ASP 60 N -0.99 -4.45 -4.65 -0.99 8.00 -1.17 -4.95 116.55 107.35 2a2x n ASP 60 Ca 0.19 -0.51 -0.37 0.00 0.71 0.00 0.00 54.79 54.81 2a2x n ASP 60 Cb 0.77 -3.62 -0.09 0.00 -0.02 0.00 0.00 41.12 38.16 2a2x n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2a2x s LYS 60 N -6.18 4.07 -0.49 -1.24 2.47 -0.99 -4.99 119.74 112.39 2a2x s LYS 60 Ca 0.48 -0.18 0.06 0.00 -1.56 0.00 0.00 55.97 54.77 2a2x s LYS 60 Cb -0.24 -3.56 0.23 0.00 -1.46 0.00 0.00 37.83 32.79 2a2x s LYS 60 CO 0.59 -0.01 0.87 -1.71 0.16 0.00 0.00 175.35 175.24 2a2x n ASN 60 N 4.50 -2.97 -4.82 1.43 4.05 -1.17 -1.02 115.26 115.25 2a2x n ASN 60 Ca -0.13 -3.18 -0.33 0.00 0.45 0.00 0.00 54.58 51.39 2a2x n ASN 60 Cb 0.52 1.79 -0.04 0.00 1.23 0.00 0.00 39.78 43.27 2a2x n ASN 60 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2a2x s PHE 60 N 0.72 3.26 0.34 1.20 0.08 -0.18 -5.01 117.98 118.40 2a2x s PHE 60 Ca 0.31 1.55 0.06 0.00 0.12 0.00 0.00 56.93 58.98 2a2x s PHE 60 Cb 0.18 -2.89 -0.07 0.00 -0.57 0.00 0.00 43.02 39.68 2a2x s PHE 60 CO -0.21 -0.42 -0.01 0.95 -0.10 0.00 0.00 175.22 175.43 2a2x s THR 60 N -2.31 1.73 0.25 0.64 -4.23 -1.26 -4.88 115.64 105.58 2a2x s THR 60 Ca 0.62 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2a2x s THR 60 Cb -0.11 -2.75 0.36 0.00 1.34 0.00 0.00 72.50 71.34 2a2x s THR 60 CO 0.22 -0.11 1.32 -0.62 -0.54 0.00 0.00 174.62 174.89 2a2x n GLU 61 N -0.77 -0.07 -0.00 3.99 4.71 -1.26 -0.13 120.64 127.11 2a2x n GLU 61 Ca -0.04 1.27 0.15 0.00 -0.01 0.00 0.00 57.16 58.53 2a2x n GLU 61 Cb 0.65 -1.99 0.76 0.00 -1.01 0.00 0.00 31.44 29.85 2a2x n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2a2x n ASN 62 N -5.25 0.58 0.03 1.62 4.13 -1.26 -3.68 115.26 111.41 2a2x n ASN 62 Ca 0.18 -1.22 0.12 0.00 1.68 0.00 0.00 54.58 55.34 2a2x n ASN 62 Cb 0.59 -0.00 0.30 0.00 -1.54 0.00 0.00 39.78 39.12 2a2x n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2a2x n ASP 63 N -0.53 0.50 -3.98 6.41 8.00 0.82 -4.95 116.55 122.81 2a2x n ASP 63 Ca 0.21 0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 2a2x n ASP 63 Cb 0.20 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2a2x n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2a2x s LEU 64 N -3.51 0.95 0.30 0.64 0.05 -1.24 -2.59 118.68 113.28 2a2x s LEU 64 Ca 0.10 -0.92 0.10 0.00 0.05 0.00 0.00 54.13 53.47 2a2x s LEU 64 Cb 0.16 1.16 -0.06 0.00 -2.05 0.00 0.00 46.19 45.40 2a2x s LEU 64 CO 0.67 -0.90 -0.14 -0.76 -0.55 0.00 0.00 176.35 174.67 2a2x s LEU 65 N -2.98 2.64 -0.18 1.48 1.43 0.15 -4.47 118.68 116.75 2a2x s LEU 65 Ca 0.19 -1.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.17 2a2x s LEU 65 Cb 0.03 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2a2x s LEU 65 CO 0.01 -0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 175.65 2a2x s VAL 66 N -2.62 2.58 -0.29 -1.59 1.01 0.50 -0.83 120.40 119.16 2a2x s VAL 66 Ca 0.31 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2a2x s VAL 66 Cb -0.01 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.30 2a2x s VAL 66 CO 0.15 0.51 0.01 -0.13 0.00 0.00 0.00 175.10 175.64 2a2x s ARG 67 N 1.12 2.67 -0.02 2.72 0.52 -0.57 0.11 118.95 125.50 2a2x s ARG 67 Ca 0.00 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2a2x s ARG 67 Cb -0.14 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 2a2x s ARG 67 CO -0.05 -0.54 0.03 0.42 0.02 0.00 0.00 175.30 175.17 2a2x s ILE 68 N 1.34 4.37 0.00 1.52 1.01 0.51 -1.64 121.20 128.30 2a2x s ILE 68 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2a2x s ILE 68 Cb -0.18 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2a2x s ILE 68 CO -0.01 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2a2x n GLY 69 N 1.52 0.66 3.90 6.18 0.00 -1.26 0.04 105.19 116.22 2a2x n GLY 69 Ca -0.15 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 2a2x n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a2x s LYS 70 N -0.85 3.07 0.15 1.61 1.02 -1.26 -4.36 119.74 119.12 2a2x s LYS 70 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.25 2a2x s LYS 70 Cb 0.00 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2a2x s LYS 70 CO 0.00 -0.72 0.00 1.58 -0.92 0.00 0.00 175.35 175.29 2a2x n HIS 71 N -2.69 -1.20 -2.52 3.18 -0.00 -1.26 -4.98 115.22 105.74 2a2x n HIS 71 Ca 0.05 0.21 -0.37 0.00 -0.00 0.00 0.00 57.72 57.61 2a2x n HIS 71 Cb 0.57 0.43 -0.04 0.00 -0.00 0.00 0.00 29.99 30.95 2a2x n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2a2x s SER 72 N -5.14 6.75 -0.02 0.26 0.15 -1.26 -1.09 113.70 113.36 2a2x s SER 72 Ca 0.00 2.07 -0.21 0.00 0.70 0.00 0.00 55.95 58.51 2a2x s SER 72 Cb 0.00 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.48 2a2x s SER 72 CO 0.00 -0.50 1.07 -0.09 1.20 0.00 0.00 173.24 174.92 2a2x h ARG 73 N 2.55 0.33 0.00 5.44 2.43 -1.64 -3.40 114.38 120.09 2a2x h ARG 73 Ca -0.48 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 58.17 2a2x h ARG 73 Cb 1.22 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 2a2x h ARG 73 CO 0.62 1.05 -2.07 0.25 -1.51 0.00 0.00 179.97 178.31 2a2x n THR 74 N -4.31 0.58 -2.75 0.20 -2.24 -1.26 -5.00 114.28 99.50 2a2x n THR 74 Ca -0.10 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 2a2x n THR 74 Cb 0.63 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 2a2x n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a2x s ARG 75 N -2.95 4.29 -0.55 -0.78 1.81 -1.26 -4.99 118.95 114.52 2a2x s ARG 75 Ca -0.08 1.25 -0.25 0.00 -1.72 0.00 0.00 55.73 54.93 2a2x s ARG 75 Cb 0.09 -2.40 0.04 0.00 -0.45 0.00 0.00 34.95 32.23 2a2x s ARG 75 CO 0.79 0.02 0.99 -0.47 -0.68 0.00 0.00 175.30 175.95 2a2x s TYR 76 N -1.93 2.76 -1.34 -0.53 5.04 -1.26 -4.88 117.35 115.22 2a2x s TYR 76 Ca 0.58 0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.14 2a2x s TYR 76 Cb -0.14 -4.15 0.08 0.00 0.35 0.00 0.00 41.96 38.10 2a2x s TYR 76 CO 0.19 -1.38 1.87 0.39 -1.34 0.00 0.00 175.55 175.27 2a2x n GLU 77 N 7.63 3.14 -1.57 4.97 1.02 -1.26 -4.96 120.64 129.61 2a2x n GLU 77 Ca 0.03 -3.15 -0.48 0.00 -0.02 0.00 0.00 57.16 53.54 2a2x n GLU 77 Cb 0.48 -3.34 -0.04 0.00 -0.02 0.00 0.00 31.44 28.52 2a2x n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2a2x n ARG 77 N 7.04 1.08 -0.26 3.49 0.63 -1.26 -1.22 116.66 126.16 2a2x n ARG 77 Ca 0.48 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2a2x n ARG 77 Cb 0.43 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2a2x n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a2x n ASN 78 N 1.86 0.00 0.00 6.15 5.03 -1.26 -4.71 115.26 122.33 2a2x n ASN 78 Ca 0.14 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.56 2a2x n ASN 78 Cb 0.25 -0.70 -0.01 0.00 -1.02 0.00 0.00 39.78 38.30 2a2x n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2a2x n ILE 79 N -2.00 1.22 -2.02 2.41 5.41 -0.53 -5.05 119.36 118.80 2a2x n ILE 79 Ca 0.00 0.27 -0.32 0.00 1.00 0.00 0.00 62.75 63.70 2a2x n ILE 79 Cb 0.00 -1.80 0.01 0.00 -0.71 0.00 0.00 39.64 37.13 2a2x n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2a2x s GLU 80 N -2.27 3.48 -0.09 0.38 -1.05 -0.36 -4.82 118.70 113.97 2a2x s GLU 80 Ca -0.09 0.99 0.02 0.00 -0.15 0.00 0.00 54.97 55.74 2a2x s GLU 80 Cb 0.02 -2.06 0.02 0.00 -0.44 0.00 0.00 34.13 31.66 2a2x s GLU 80 CO 0.14 -0.67 -0.13 0.21 0.95 0.00 0.00 175.26 175.76 2a2x s LYS 81 N -4.48 1.92 -0.24 -4.83 2.47 0.11 -4.90 119.74 109.78 2a2x s LYS 81 Ca 0.59 -0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 54.43 2a2x s LYS 81 Cb -0.13 -1.65 -0.05 0.00 -1.46 0.00 0.00 37.83 34.54 2a2x s LYS 81 CO 0.42 -0.06 0.19 0.42 0.16 0.00 0.00 175.35 176.49 2a2x s ILE 82 N 0.96 5.33 0.21 5.43 1.01 -1.26 -0.37 121.20 132.52 2a2x s ILE 82 Ca -0.08 0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.92 2a2x s ILE 82 Cb -0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2a2x s ILE 82 CO -0.00 0.32 -0.23 -0.55 0.00 0.00 0.00 174.94 174.48 2a2x s SER 83 N 1.16 3.48 0.07 3.58 0.15 0.30 -4.95 113.70 117.49 2a2x s SER 83 Ca 0.09 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 55.88 2a2x s SER 83 Cb -0.14 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 2a2x s SER 83 CO 0.06 0.11 0.09 -0.04 1.20 0.00 0.00 173.24 174.66 2a2x s MET 84 N -2.81 2.96 0.13 5.44 -1.94 -1.26 -0.37 119.30 121.45 2a2x s MET 84 Ca 0.22 -0.65 -0.20 0.00 -1.71 0.00 0.00 55.69 53.35 2a2x s MET 84 Cb -0.07 -2.77 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 2a2x s MET 84 CO 0.11 0.58 0.65 -0.51 -0.01 0.00 0.00 175.02 175.83 2a2x s LEU 85 N -2.36 4.49 -0.18 -0.03 1.43 -1.26 0.10 118.68 120.87 2a2x s LEU 85 Ca 0.29 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2a2x s LEU 85 Cb -0.12 -3.18 -0.15 0.00 0.03 0.00 0.00 46.19 42.78 2a2x s LEU 85 CO 0.22 0.19 -0.10 1.21 0.23 0.00 0.00 176.35 178.11 2a2x n GLU 86 N 1.38 0.83 -3.66 1.70 2.13 0.80 -4.67 120.64 119.16 2a2x n GLU 86 Ca -0.07 0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2a2x n GLU 86 Cb 0.50 -1.39 -0.08 0.00 0.27 0.00 0.00 31.44 30.75 2a2x n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2a2x s LYS 87 N -2.38 0.74 -0.06 5.31 2.36 -1.16 -5.00 119.74 119.55 2a2x s LYS 87 Ca -0.20 0.65 0.04 0.00 -2.55 0.00 0.00 55.97 53.91 2a2x s LYS 87 Cb 0.06 0.36 -0.02 0.00 -1.05 0.00 0.00 37.83 37.17 2a2x s LYS 87 CO 0.50 -0.13 -0.17 0.42 1.55 0.00 0.00 175.35 177.53 2a2x s ILE 88 N -0.05 2.84 -0.11 5.43 1.01 -1.26 -0.65 121.20 128.40 2a2x s ILE 88 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2a2x s ILE 88 Cb -0.04 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.35 2a2x s ILE 88 CO 0.02 0.58 -0.11 -0.31 0.00 0.00 0.00 174.94 175.12 2a2x s TYR 89 N -0.46 1.71 -0.12 3.97 1.51 0.28 -5.00 117.35 119.24 2a2x s TYR 89 Ca 0.05 -0.84 -0.04 0.00 -1.01 0.00 0.00 57.07 55.23 2a2x s TYR 89 Cb -0.12 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2a2x s TYR 89 CO 0.02 -0.51 0.04 0.42 -1.11 0.00 0.00 175.55 174.41 2a2x s ILE 90 N 1.39 4.65 0.05 2.71 -1.09 -1.26 -1.11 121.20 126.54 2a2x s ILE 90 Ca 0.00 -0.11 -0.35 0.00 -2.23 0.00 0.00 60.65 57.97 2a2x s ILE 90 Cb -0.13 -3.01 -0.14 0.00 -1.58 0.00 0.00 42.46 37.60 2a2x s ILE 90 CO -0.06 0.57 1.64 1.57 -1.23 0.00 0.00 174.94 177.43 2a2x n HIS 91 N 2.50 2.17 -0.11 3.97 -0.00 -1.10 -4.82 115.22 117.82 2a2x n HIS 91 Ca -0.18 0.26 0.27 0.00 -0.00 0.00 0.00 57.72 58.06 2a2x n HIS 91 Cb 0.54 -2.54 0.72 0.00 -0.00 0.00 0.00 29.99 28.70 2a2x n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a2x h PRO 92 N 6.73 0.00 -0.48 1.57 0.13 -1.95 -1.80 132.00 136.19 2a2x h PRO 92 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2a2x h PRO 92 Cb 1.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 2a2x h PRO 92 CO 0.89 0.00 0.10 0.54 -0.23 0.00 0.00 178.00 179.31 2a2x n ARG 93 N -4.10 2.81 -1.66 0.86 1.74 -1.26 -4.99 116.66 110.06 2a2x n ARG 93 Ca 0.16 -3.03 -0.42 0.00 -0.77 0.00 0.00 57.85 53.79 2a2x n ARG 93 Cb 0.90 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 2a2x n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2a2x s TYR 94 N -3.04 1.25 -1.03 -1.55 5.04 -0.68 -4.77 117.35 112.58 2a2x s TYR 94 Ca 0.48 -0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.59 2a2x s TYR 94 Cb 0.40 -4.24 0.26 0.00 0.35 0.00 0.00 41.96 38.74 2a2x s TYR 94 CO 0.08 -5.54 1.00 1.21 -1.34 0.00 0.00 175.55 170.97 2a2x s ASN 95 N 4.74 7.12 0.30 4.32 3.84 -0.03 -4.81 114.94 130.42 2a2x s ASN 95 Ca 0.90 -3.35 0.25 0.00 0.21 0.00 0.00 52.86 50.87 2a2x s ASN 95 Cb -0.42 -2.20 0.67 0.00 -0.55 0.00 0.00 41.25 38.75 2a2x s ASN 95 CO 0.41 -0.36 1.72 4.11 -2.79 0.00 0.00 177.10 180.20 2a2x h TRP 96 N 6.95 0.00 -0.12 0.43 5.08 -1.91 0.63 115.95 127.01 2a2x h TRP 96 Ca 0.16 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.96 2a2x h TRP 96 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 2a2x h TRP 96 CO 0.83 0.00 -0.65 0.00 -1.28 0.00 0.00 178.44 177.34 2a2x h ARG 97 N 0.00 0.44 0.00 0.12 3.08 -1.99 -3.43 114.38 112.61 2a2x h ARG 97 Ca 0.00 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2a2x h ARG 97 Cb 0.81 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2a2x h ARG 97 CO 0.00 0.94 -0.50 -1.91 -1.07 0.00 0.00 179.97 177.44 2a2x n GLU 97 N -3.89 0.22 -0.18 0.04 2.13 -1.24 -4.96 120.64 112.76 2a2x n GLU 97 Ca -0.04 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2a2x n GLU 97 Cb 0.66 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.50 2a2x n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2a2x n ASN 98 N -3.86 0.16 -1.66 4.31 6.94 -1.24 -4.89 115.26 115.02 2a2x n ASN 98 Ca -0.07 -1.46 -0.16 0.00 -0.02 0.00 0.00 54.58 52.87 2a2x n ASN 98 Cb 0.24 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.56 2a2x n ASN 98 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2a2x n LEU 99 N -0.07 -1.59 -4.77 -4.53 7.94 0.20 -4.95 117.00 109.24 2a2x n LEU 99 Ca 0.00 0.07 -0.41 0.00 -1.11 0.00 0.00 56.01 54.57 2a2x n LEU 99 Cb 0.56 -2.32 -0.01 0.00 0.53 0.00 0.00 43.42 42.18 2a2x n LEU 99 CO 0.00 -0.30 1.06 -0.62 -1.11 0.00 0.00 177.39 176.42 2a2x s ASP 100 N -2.41 6.60 -1.00 1.96 3.68 -1.16 -2.99 116.67 121.35 2a2x s ASP 100 Ca 0.00 2.82 -0.04 0.00 2.13 0.00 0.00 52.55 57.46 2a2x s ASP 100 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 42.92 38.82 2a2x s ASP 100 CO 0.00 -0.68 0.86 0.54 0.13 0.00 0.00 175.17 176.01 2a2x n ARG 101 N 0.94 -5.74 -2.27 4.34 1.74 -1.26 -0.85 116.66 113.56 2a2x n ARG 101 Ca 0.02 0.65 -0.37 0.00 -0.77 0.00 0.00 57.85 57.37 2a2x n ARG 101 Cb 0.41 -5.11 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 2a2x n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2a2x n ASP 102 N -2.25 4.04 -3.76 0.55 4.64 -1.16 -4.47 116.55 114.14 2a2x n ASP 102 Ca -0.09 -2.82 -0.13 0.00 -1.38 0.00 0.00 54.79 50.38 2a2x n ASP 102 Cb 0.58 -1.71 -0.09 0.00 -1.04 0.00 0.00 41.12 38.86 2a2x n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2a2x s ILE 103 N 6.91 0.06 -0.01 5.18 2.07 -1.26 -3.80 121.20 130.35 2a2x s ILE 103 Ca 0.59 -0.47 -0.22 0.00 -1.41 0.00 0.00 60.65 59.14 2a2x s ILE 103 Cb 0.03 -0.60 0.05 0.00 0.13 0.00 0.00 42.46 42.06 2a2x s ILE 103 CO 0.10 -0.26 0.49 0.00 -1.91 0.00 0.00 174.94 173.36 2a2x s ALA 104 N -1.30 -1.26 0.01 1.50 0.00 -0.55 -2.71 121.76 117.44 2a2x s ALA 104 Ca -0.13 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.63 2a2x s ALA 104 Cb -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2a2x s ALA 104 CO 0.04 -0.37 -0.25 -0.51 0.00 0.00 0.00 175.76 174.67 2a2x s LEU 105 N -1.48 2.18 -0.08 0.00 1.43 -0.26 -2.05 118.68 118.41 2a2x s LEU 105 Ca -0.10 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2a2x s LEU 105 Cb -0.02 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2a2x s LEU 105 CO 0.04 0.29 -0.16 -0.04 0.23 0.00 0.00 176.35 176.72 2a2x s MET 106 N -0.93 2.16 -0.20 1.70 -1.94 -0.28 -0.56 119.30 119.26 2a2x s MET 106 Ca 0.11 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.38 2a2x s MET 106 Cb -0.10 -1.73 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 2a2x s MET 106 CO 0.01 0.06 0.33 0.21 -0.01 0.00 0.00 175.02 175.62 2a2x s LYS 107 N 0.62 4.17 0.41 2.03 2.47 0.18 -1.30 119.74 128.32 2a2x s LYS 107 Ca -0.15 0.09 -0.19 0.00 -1.56 0.00 0.00 55.97 54.17 2a2x s LYS 107 Cb -0.16 -3.51 -0.10 0.00 -1.46 0.00 0.00 37.83 32.59 2a2x s LYS 107 CO 0.04 0.04 0.90 -0.51 0.16 0.00 0.00 175.35 175.98 2a2x s LEU 108 N 1.08 3.94 0.19 5.43 1.02 0.03 -0.14 118.68 130.22 2a2x s LEU 108 Ca 0.16 1.57 -0.11 0.00 0.02 0.00 0.00 54.13 55.77 2a2x s LEU 108 Cb -0.14 -4.41 0.10 0.00 0.02 0.00 0.00 46.19 41.76 2a2x s LEU 108 CO 0.06 -0.35 1.76 0.11 0.02 0.00 0.00 176.35 177.95 2a2x h LYS 109 N 1.88 0.97 -4.78 1.70 1.57 -0.61 -3.42 116.57 113.88 2a2x h LYS 109 Ca -0.48 -0.16 -0.34 0.00 -1.87 0.00 0.00 60.65 57.79 2a2x h LYS 109 Cb 1.18 -0.16 -0.24 0.00 0.08 0.00 0.00 32.23 33.09 2a2x h LYS 109 CO 0.62 0.80 -0.76 0.15 -0.57 0.00 0.00 179.45 179.69 2a2x s LYS 110 N -5.62 0.64 0.49 3.15 1.02 -1.26 -5.00 119.74 113.16 2a2x s LYS 110 Ca -0.13 -0.65 -0.24 0.00 0.02 0.00 0.00 55.97 54.97 2a2x s LYS 110 Cb 0.14 -0.53 -0.07 0.00 -0.52 0.00 0.00 37.83 36.84 2a2x s LYS 110 CO 0.80 0.12 1.40 -2.14 -0.92 0.00 0.00 175.35 174.62 2a2x s PRO 111 N -1.17 3.46 0.13 -1.68 0.02 -1.26 -4.88 135.00 129.63 2a2x s PRO 111 Ca -0.04 2.35 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 2a2x s PRO 111 Cb -0.08 -2.49 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 2a2x s PRO 111 CO 0.01 -0.97 0.36 0.54 -0.33 0.00 0.00 177.00 176.60 2a2x s VAL 112 N -1.24 5.19 -0.10 3.83 0.11 -0.19 -5.02 120.40 122.98 2a2x s VAL 112 Ca 0.65 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.56 2a2x s VAL 112 Cb -0.42 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 2a2x s VAL 112 CO 0.53 0.06 0.37 0.00 -3.33 0.00 0.00 175.10 172.73 2a2x s ALA 113 N -1.63 3.61 0.71 1.54 0.00 -1.26 -4.82 121.76 119.92 2a2x s ALA 113 Ca 0.40 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2a2x s ALA 113 Cb -0.12 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2a2x s ALA 113 CO 0.25 0.21 1.07 -0.06 0.00 0.00 0.00 175.76 177.23 2a2x s PHE 114 N -0.04 3.03 0.00 0.00 0.08 -1.26 -4.92 117.98 114.87 2a2x s PHE 114 Ca 0.21 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2a2x s PHE 114 Cb -0.15 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2a2x s PHE 114 CO 0.08 -1.35 0.00 -1.13 -0.10 0.00 0.00 175.22 172.73 2a2x n SER 115 N -3.20 0.00 0.17 1.36 3.41 -0.55 -4.94 113.62 109.87 2a2x n SER 115 Ca 0.08 -0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 2a2x n SER 115 Cb 0.54 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.92 2a2x n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2a2x h ASP 116 N 0.00 0.00 -0.01 4.04 3.45 -1.99 -3.20 116.42 118.71 2a2x h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2a2x h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2a2x h ASP 116 CO 0.00 0.00 -0.14 -1.22 -1.57 0.00 0.00 179.24 176.31 2a2x n TYR 117 N -2.62 0.00 -3.90 4.55 4.02 -1.26 -4.74 117.16 113.20 2a2x n TYR 117 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 2a2x n TYR 117 Cb 0.37 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.53 2a2x n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2a2x s ILE 118 N -1.08 1.24 -0.26 -0.72 1.01 -1.21 -4.22 121.20 115.96 2a2x s ILE 118 Ca 0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 2a2x s ILE 118 Cb 0.06 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 41.14 2a2x s ILE 118 CO 0.18 0.04 0.69 -2.28 0.00 0.00 0.00 174.94 173.57 2a2x s HIS 119 N 1.56 -0.82 0.37 3.97 2.46 0.12 -1.48 115.29 121.46 2a2x s HIS 119 Ca -0.01 1.91 -0.26 0.00 0.47 0.00 0.00 55.06 57.17 2a2x s HIS 119 Cb -0.16 0.34 -0.09 0.00 -0.13 0.00 0.00 32.58 32.53 2a2x s HIS 119 CO -0.07 -0.40 1.09 -1.25 -2.47 0.00 0.00 174.74 171.63 2a2x s PRO 120 N 0.64 4.26 0.56 2.88 0.04 -1.26 -2.70 135.00 139.42 2a2x s PRO 120 Ca -0.02 1.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 2a2x s PRO 120 Cb -0.05 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2a2x s PRO 120 CO -0.04 -0.09 0.86 0.54 0.04 0.00 0.00 177.00 178.31 2a2x s VAL 121 N -1.47 3.85 0.25 -0.36 0.11 -0.75 -4.96 120.40 117.07 2a2x s VAL 121 Ca 0.54 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2a2x s VAL 121 Cb -0.27 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2a2x s VAL 121 CO 0.33 -0.50 0.47 0.00 -3.33 0.00 0.00 175.10 172.07 2a2x s LEU 123 N -3.54 4.24 0.73 0.00 1.02 -1.26 -1.49 118.68 118.37 2a2x s LEU 123 Ca 0.40 0.34 -0.14 0.00 0.02 0.00 0.00 54.13 54.76 2a2x s LEU 123 Cb -0.11 -2.05 0.04 0.00 0.02 0.00 0.00 46.19 44.09 2a2x s LEU 123 CO 0.30 0.31 1.14 -2.16 0.02 0.00 0.00 176.35 175.96 2a2x s PRO 124 N -0.45 2.28 0.36 1.29 0.04 -1.26 -4.95 135.00 132.31 2a2x s PRO 124 Ca 0.12 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.72 2a2x s PRO 124 Cb -0.12 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2a2x s PRO 124 CO 0.02 -1.67 -0.01 0.16 0.04 0.00 0.00 177.00 175.54 2a2x s ASP 125 N -2.58 3.99 0.25 6.66 3.84 -1.26 -4.93 116.67 122.64 2a2x s ASP 125 Ca 0.68 -1.12 -0.11 0.00 -0.00 0.00 0.00 52.55 52.00 2a2x s ASP 125 Cb -0.23 -0.44 0.35 0.00 -1.38 0.00 0.00 42.92 41.22 2a2x s ASP 125 CO 0.47 -0.28 1.59 -0.09 -0.00 0.00 0.00 175.17 176.87 2a2x h ARG 126 N 1.85 0.00 -0.15 2.11 2.43 -1.97 -2.17 114.38 116.48 2a2x h ARG 126 Ca -0.43 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2a2x h ARG 126 Cb 1.25 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2a2x h ARG 126 CO 0.70 0.00 0.08 0.93 -1.51 0.00 0.00 179.97 180.18 2a2x h GLU 127 N 0.00 0.20 -0.99 0.20 3.07 -2.04 -2.25 114.58 112.77 2a2x h GLU 127 Ca 0.40 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2a2x h GLU 127 Cb 0.60 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2a2x h GLU 127 CO -0.85 0.20 0.00 2.41 -1.40 0.00 0.00 179.01 179.38 2a2x n THR 128 N -4.94 0.07 0.00 1.13 -1.04 -0.82 -1.95 114.28 106.73 2a2x n THR 128 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2a2x n THR 128 Cb 0.06 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 2a2x n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a2x n ALA 129 N 0.68 0.00 0.06 2.41 0.00 -0.85 -1.77 120.51 121.05 2a2x n ALA 129 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2a2x n ALA 129 Cb 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 2a2x n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2a2x h SER 129 N 0.00 0.91 0.27 0.00 0.02 -1.66 -3.38 113.55 109.70 2a2x h SER 129 Ca 0.00 -0.77 -0.31 0.00 -0.84 0.00 0.00 61.79 59.87 2a2x h SER 129 Cb 0.00 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 2a2x h SER 129 CO 0.00 1.57 -2.00 0.18 -1.14 0.00 0.00 176.83 175.44 2a2x n LEU 129 N -3.83 0.46 -3.93 5.07 7.99 -0.73 -4.68 117.00 117.35 2a2x n LEU 129 Ca -0.12 0.22 -0.42 0.00 -0.01 0.00 0.00 56.01 55.68 2a2x n LEU 129 Cb 0.92 0.31 -0.01 0.00 -0.11 0.00 0.00 43.42 44.52 2a2x n LEU 129 CO 0.57 0.41 2.37 -0.11 -1.51 0.00 0.00 177.39 179.12 2a2x n LEU 130 N -2.88 5.74 -4.06 2.23 7.94 -1.26 -4.84 117.00 119.88 2a2x n LEU 130 Ca -0.23 -3.81 -0.19 0.00 -1.11 0.00 0.00 56.01 50.67 2a2x n LEU 130 Cb 1.07 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 43.29 2a2x n LEU 130 CO 0.44 0.47 -0.44 -1.10 -1.11 0.00 0.00 177.39 175.65 2a2x s GLN 131 N 3.93 0.83 0.15 1.96 -0.21 -1.26 -4.93 119.66 120.13 2a2x s GLN 131 Ca 0.52 -0.43 -0.34 0.00 0.02 0.00 0.00 55.36 55.12 2a2x s GLN 131 Cb 0.11 -0.80 -0.14 0.00 1.00 0.00 0.00 33.01 33.18 2a2x s GLN 131 CO -0.00 0.21 1.52 0.00 -2.12 0.00 0.00 175.29 174.90 2a2x n ALA 132 N 2.65 0.87 0.00 6.09 0.00 -1.26 -1.52 120.51 127.33 2a2x n ALA 132 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2a2x n ALA 132 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2a2x n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a2x n GLY 133 N 3.18 3.03 3.72 0.00 0.00 0.48 -4.94 105.19 110.66 2a2x n GLY 133 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2a2x n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a2x s TYR 134 N -2.98 3.28 0.29 1.61 1.51 -0.57 -4.59 117.35 115.90 2a2x s TYR 134 Ca 0.00 1.12 -0.12 0.00 -1.01 0.00 0.00 57.07 57.06 2a2x s TYR 134 Cb 0.00 -3.61 -0.08 0.00 -0.11 0.00 0.00 41.96 38.16 2a2x s TYR 134 CO 0.00 -2.01 0.66 0.15 -1.11 0.00 0.00 175.55 173.24 2a2x s LYS 135 N 0.55 3.90 0.37 -0.62 1.02 -1.26 -1.19 119.74 122.51 2a2x s LYS 135 Ca 0.60 0.48 0.04 0.00 0.02 0.00 0.00 55.97 57.11 2a2x s LYS 135 Cb -0.36 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 2a2x s LYS 135 CO 0.34 0.21 0.11 0.20 -0.92 0.00 0.00 175.35 175.29 2a2x s GLY 136 N -2.39 2.39 -0.03 -3.33 0.00 0.13 -4.88 107.32 99.21 2a2x s GLY 136 Ca 0.51 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.77 2a2x s GLY 136 CO 0.20 -1.80 -0.18 -1.60 0.00 0.00 0.00 173.10 169.72 2a2x s ARG 137 N -3.78 1.74 0.01 2.90 3.52 -0.01 0.21 118.95 123.54 2a2x s ARG 137 Ca 0.29 -0.65 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 2a2x s ARG 137 Cb 0.05 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.85 2a2x s ARG 137 CO 0.15 0.31 -0.23 0.08 -0.81 0.00 0.00 175.30 174.80 2a2x s VAL 138 N -0.15 1.84 0.03 7.11 1.01 0.23 -0.64 120.40 129.83 2a2x s VAL 138 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2a2x s VAL 138 Cb -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2a2x s VAL 138 CO 0.01 0.41 -0.11 0.42 0.00 0.00 0.00 175.10 175.83 2a2x s THR 139 N -0.65 0.83 -0.06 3.92 -4.23 -1.25 -1.52 115.64 112.69 2a2x s THR 139 Ca 0.09 -0.86 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 2a2x s THR 139 Cb -0.09 -0.78 0.12 0.00 1.34 0.00 0.00 72.50 73.09 2a2x s THR 139 CO 0.00 -0.06 1.22 -0.83 -0.54 0.00 0.00 174.62 174.42 2a2x s GLY 140 N -1.03 -0.36 -0.06 3.99 0.00 -0.75 -4.59 107.32 104.52 2a2x s GLY 140 Ca -0.01 0.95 0.13 0.00 0.00 0.00 0.00 44.72 45.79 2a2x s GLY 140 CO 0.01 0.25 1.34 0.79 0.00 0.00 0.00 173.10 175.49 2a2x n TRP 141 N -0.35 0.70 -1.25 1.90 8.01 -1.26 -1.34 117.44 123.85 2a2x n TRP 141 Ca -0.06 -0.61 -0.25 0.00 -1.31 0.00 0.00 57.50 55.27 2a2x n TRP 141 Cb 0.61 -0.12 0.20 0.00 -2.01 0.00 0.00 31.31 29.98 2a2x n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2a2x n GLY 142 N 0.33 -2.27 3.53 6.99 0.00 -1.26 -4.46 105.19 108.05 2a2x n GLY 142 Ca 0.16 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2a2x n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a2x n ASN 143 N -4.27 -0.28 0.04 1.61 3.02 -0.46 -3.35 115.26 111.57 2a2x n ASN 143 Ca 0.13 0.78 0.10 0.00 -0.03 0.00 0.00 54.58 55.56 2a2x n ASN 143 Cb 0.49 -1.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.32 2a2x n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2a2x n LEU 144 N 0.07 0.46 -3.97 3.41 4.77 -1.14 -1.25 117.00 119.34 2a2x n LEU 144 Ca 0.12 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 2a2x n LEU 144 Cb 0.47 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2a2x n LEU 144 CO 0.51 -0.06 -0.26 -1.59 -1.33 0.00 0.00 177.39 174.66 2a2x s LYS 145 N -3.36 0.60 0.17 3.23 0.00 -1.26 -4.27 119.74 114.85 2a2x s LYS 145 Ca -0.04 -0.91 -0.14 0.00 0.00 0.00 0.00 55.97 54.89 2a2x s LYS 145 Cb 0.11 0.23 0.11 0.00 0.00 0.00 0.00 37.83 38.28 2a2x s LYS 145 CO 0.84 -0.14 1.79 1.49 0.00 0.00 0.00 175.35 179.33 2a2x h GLU 146 N 3.48 0.49 0.18 1.78 4.81 -1.93 -3.49 114.58 119.90 2a2x h GLU 146 Ca -0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2a2x h GLU 146 Cb 1.18 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2a2x h GLU 146 CO 0.55 0.33 -0.09 0.00 -0.73 0.00 0.00 179.01 179.07 2a2x h THR 147 N 0.51 0.00 0.00 0.32 1.03 -1.97 -3.48 112.91 109.32 2a2x h THR 147 Ca 0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.49 2a2x h THR 147 Cb 0.10 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.18 2a2x h THR 147 CO -0.13 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.99 2a2x n GLY 150 N 0.09 -0.85 3.89 2.99 0.00 -1.26 -5.04 105.19 105.01 2a2x n GLY 150 Ca -0.03 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2a2x n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a2x s GLN 151 N -2.00 2.57 0.50 1.61 -2.07 -1.26 -2.90 119.66 116.11 2a2x s GLN 151 Ca 0.00 -1.49 -0.13 0.00 -1.82 0.00 0.00 55.36 51.92 2a2x s GLN 151 Cb 0.00 -2.43 -0.06 0.00 -1.09 0.00 0.00 33.01 29.43 2a2x s GLN 151 CO 0.00 -0.20 0.92 -1.25 -1.32 0.00 0.00 175.29 173.44 2a2x s PRO 152 N -4.16 3.80 0.00 9.60 0.04 -1.26 -4.93 135.00 138.09 2a2x s PRO 152 Ca 0.49 0.73 0.16 0.00 0.04 0.00 0.00 61.00 62.42 2a2x s PRO 152 Cb -0.04 -2.21 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 2a2x s PRO 152 CO 0.29 -0.26 0.69 0.45 0.04 0.00 0.00 177.00 178.20 2a2x n SER 153 N -1.79 0.75 -4.33 6.66 2.88 -1.26 -4.73 113.62 111.81 2a2x n SER 153 Ca 0.05 0.34 -0.19 0.00 -1.33 0.00 0.00 58.87 57.74 2a2x n SER 153 Cb 0.54 0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 64.14 2a2x n SER 153 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2a2x s VAL 154 N -2.81 1.69 0.17 2.46 1.01 -1.26 -1.79 120.40 119.86 2a2x s VAL 154 Ca -0.04 -2.07 -0.34 0.00 0.00 0.00 0.00 61.98 59.53 2a2x s VAL 154 Cb 0.08 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.40 2a2x s VAL 154 CO 0.82 -0.51 1.53 -0.11 0.00 0.00 0.00 175.10 176.83 2a2x n LEU 155 N -0.09 2.99 -4.92 3.92 7.94 -0.25 -4.86 117.00 121.73 2a2x n LEU 155 Ca -0.10 1.10 -0.25 0.00 -1.11 0.00 0.00 56.01 55.64 2a2x n LEU 155 Cb 0.59 -1.41 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 2a2x n LEU 155 CO 0.32 -0.38 -0.11 -1.10 -1.11 0.00 0.00 177.39 175.01 2a2x s GLN 156 N 0.65 3.33 -0.04 1.96 -1.52 -0.45 -0.72 119.66 122.87 2a2x s GLN 156 Ca 0.77 -0.69 -0.06 0.00 -1.95 0.00 0.00 55.36 53.43 2a2x s GLN 156 Cb -0.69 -2.88 0.01 0.00 -0.22 0.00 0.00 33.01 29.22 2a2x s GLN 156 CO 0.41 0.50 0.16 0.54 -0.25 0.00 0.00 175.29 176.64 2a2x s VAL 157 N -1.79 0.03 -0.03 1.09 0.11 -0.30 -1.80 120.40 117.71 2a2x s VAL 157 Ca 0.34 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2a2x s VAL 157 Cb -0.10 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2a2x s VAL 157 CO 0.28 -0.15 0.15 0.68 -3.33 0.00 0.00 175.10 172.72 2a2x s VAL 158 N -0.51 0.04 -0.21 2.04 -7.23 -0.58 -2.41 120.40 111.54 2a2x s VAL 158 Ca -0.06 -0.36 -0.08 0.00 -1.81 0.00 0.00 61.98 59.68 2a2x s VAL 158 Cb -0.04 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2a2x s VAL 158 CO 0.01 -0.20 0.08 0.20 -0.31 0.00 0.00 175.10 174.88 2a2x s ASN 159 N -0.67 5.52 0.02 4.85 0.02 -1.26 -0.60 114.94 122.82 2a2x s ASN 159 Ca -0.08 -0.01 0.03 0.00 -1.02 0.00 0.00 52.86 51.79 2a2x s ASN 159 Cb -0.04 -1.97 -0.02 0.00 0.02 0.00 0.00 41.25 39.24 2a2x s ASN 159 CO 0.01 0.09 -0.11 -0.76 0.02 0.00 0.00 177.10 176.36 2a2x s LEU 160 N 0.86 2.11 0.25 0.60 1.43 0.13 -4.90 118.68 119.17 2a2x s LEU 160 Ca 0.04 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 2a2x s LEU 160 Cb -0.14 -0.47 -0.09 0.00 0.03 0.00 0.00 46.19 45.53 2a2x s LEU 160 CO 0.02 0.03 0.92 -2.16 0.23 0.00 0.00 176.35 175.40 2a2x s PRO 161 N -0.78 4.75 0.38 1.29 0.04 -1.26 0.22 135.00 139.64 2a2x s PRO 161 Ca 0.01 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 2a2x s PRO 161 Cb -0.06 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 2a2x s PRO 161 CO 0.00 0.46 1.06 0.42 0.04 0.00 0.00 177.00 178.98 2a2x s ILE 162 N -1.29 3.68 0.02 0.56 1.01 -0.33 -1.29 121.20 123.56 2a2x s ILE 162 Ca 0.43 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.47 2a2x s ILE 162 Cb -0.24 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2a2x s ILE 162 CO 0.29 0.07 -0.07 -0.69 0.00 0.00 0.00 174.94 174.54 2a2x s VAL 163 N -1.57 3.61 0.27 2.92 1.01 -0.71 -0.39 120.40 125.55 2a2x s VAL 163 Ca 0.55 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2a2x s VAL 163 Cb -0.24 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.41 2a2x s VAL 163 CO 0.30 0.34 1.15 -0.62 0.00 0.00 0.00 175.10 176.27 2a2x n GLU 164 N 1.38 1.56 -0.26 2.72 4.71 -1.26 -4.62 120.64 124.87 2a2x n GLU 164 Ca -0.15 0.55 0.06 0.00 -0.01 0.00 0.00 57.16 57.61 2a2x n GLU 164 Cb 0.52 -2.03 0.19 0.00 -1.01 0.00 0.00 31.44 29.12 2a2x n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2a2x h ARG 165 N 2.70 0.39 -0.02 3.49 2.43 -1.98 -2.52 114.38 118.87 2a2x h ARG 165 Ca -0.42 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.76 2a2x h ARG 165 Cb 1.32 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 2a2x h ARG 165 CO 0.65 0.26 -0.28 -1.35 -1.51 0.00 0.00 179.97 177.73 2a2x h PRO 166 N 0.40 -0.40 -0.92 0.20 0.11 -2.00 -1.45 132.00 127.93 2a2x h PRO 166 Ca 0.42 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.67 2a2x h PRO 166 Cb 0.67 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.80 2a2x h PRO 166 CO -0.44 -0.27 0.56 0.28 -0.21 0.00 0.00 178.00 177.92 2a2x h VAL 167 N -0.42 0.92 -0.42 3.15 2.07 -1.83 -1.40 116.25 118.32 2a2x h VAL 167 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2a2x h VAL 167 Cb 0.51 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2a2x h VAL 167 CO -0.25 0.17 0.27 0.00 0.02 0.00 0.00 177.57 177.77 2a2x h LYS 169 N 0.56 -0.07 0.00 0.00 1.57 -0.27 -3.01 116.57 115.35 2a2x h LYS 169 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2a2x h LYS 169 Cb -0.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2a2x h LYS 169 CO -0.03 0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.61 2a2x n ASP 170 N -5.09 0.00 -0.24 0.86 8.00 -0.67 -2.96 116.55 116.44 2a2x n ASP 170 Ca -0.08 -1.15 0.08 0.00 0.71 0.00 0.00 54.79 54.35 2a2x n ASP 170 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2a2x n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2a2x n SER 171 N -0.57 1.33 -3.94 -2.24 3.41 -1.14 -5.02 113.62 105.44 2a2x n SER 171 Ca 0.02 -1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 57.37 2a2x n SER 171 Cb 0.01 0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 64.54 2a2x n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2a2x s THR 172 N -2.10 0.06 -0.90 6.66 -1.32 -1.15 -4.86 115.64 112.02 2a2x s THR 172 Ca 0.11 -1.33 0.23 0.00 -1.21 0.00 0.00 61.69 59.49 2a2x s THR 172 Cb 0.13 -1.84 -0.12 0.00 -1.51 0.00 0.00 72.50 69.16 2a2x s THR 172 CO 0.49 -0.26 1.11 0.54 -2.21 0.00 0.00 174.62 174.28 2a2x n ARG 173 N -0.24 0.07 -2.28 7.08 1.74 -1.26 -4.92 116.66 116.85 2a2x n ARG 173 Ca -0.07 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.60 2a2x n ARG 173 Cb 0.63 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2a2x n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2a2x s ILE 174 N -3.05 3.18 -0.47 0.55 -1.09 -1.26 -4.95 121.20 114.11 2a2x s ILE 174 Ca 0.08 1.09 -0.28 0.00 -2.23 0.00 0.00 60.65 59.31 2a2x s ILE 174 Cb 0.16 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2a2x s ILE 174 CO 0.79 0.22 1.58 -0.60 -1.23 0.00 0.00 174.94 175.71 2a2x s ARG 175 N -1.02 3.28 0.38 2.79 3.52 -1.26 -4.99 118.95 121.64 2a2x s ARG 175 Ca 0.50 0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 56.71 2a2x s ARG 175 Cb -0.36 -4.16 -0.09 0.00 -1.56 0.00 0.00 34.95 28.79 2a2x s ARG 175 CO 0.43 -1.94 1.04 0.42 -0.81 0.00 0.00 175.30 174.44 2a2x s ILE 176 N 6.57 3.76 0.40 4.11 -1.09 -1.26 -4.84 121.20 128.84 2a2x s ILE 176 Ca 0.64 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 60.48 2a2x s ILE 176 Cb -0.15 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2a2x s ILE 176 CO 0.29 0.04 0.06 0.42 -1.23 0.00 0.00 174.94 174.52 2a2x s THR 177 N -1.62 1.12 -0.33 2.92 -4.23 -1.26 -5.04 115.64 107.20 2a2x s THR 177 Ca 0.56 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 2a2x s THR 177 Cb -0.22 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.33 2a2x s THR 177 CO 0.28 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.58 2a2x h ASP 178 N 1.81 0.00 -0.38 3.99 3.45 -2.03 -2.68 116.42 120.58 2a2x h ASP 178 Ca -0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.06 2a2x h ASP 178 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 2a2x h ASP 178 CO 0.68 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.94 2a2x n ASN 179 N -2.43 3.41 -4.20 6.45 5.03 -1.26 -4.86 115.26 117.39 2a2x n ASN 179 Ca 0.02 -2.38 -0.12 0.00 0.87 0.00 0.00 54.58 52.96 2a2x n ASN 179 Cb 0.24 -0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 38.38 2a2x n ASN 179 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2a2x s MET 180 N -1.85 0.92 0.10 3.52 -1.94 -1.01 -0.22 119.30 118.81 2a2x s MET 180 Ca 0.32 -1.35 -0.17 0.00 -1.71 0.00 0.00 55.69 52.78 2a2x s MET 180 Cb 0.22 -0.40 0.04 0.00 2.01 0.00 0.00 34.83 36.70 2a2x s MET 180 CO 0.13 0.03 0.41 -0.59 -0.01 0.00 0.00 175.02 175.00 2a2x s PHE 181 N -3.34 -0.24 0.21 -0.03 -0.12 -0.67 -4.80 117.98 108.98 2a2x s PHE 181 Ca 0.13 0.03 0.10 0.00 -0.05 0.00 0.00 56.93 57.13 2a2x s PHE 181 Cb 0.03 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 2a2x s PHE 181 CO -0.02 -0.66 -0.18 0.00 -0.05 0.00 0.00 175.22 174.30 2a2x s ALA 183 N -2.34 -0.70 0.00 0.00 0.00 -0.28 -1.73 121.76 116.71 2a2x s ALA 183 Ca 0.22 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2a2x s ALA 183 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2a2x s ALA 183 CO 0.09 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2a2x n GLY 184 N 1.62 2.59 3.83 0.00 0.00 -0.41 -2.58 105.19 110.23 2a2x n GLY 184 Ca -0.20 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2a2x n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a2x s TYR 184 N -2.00 3.58 0.64 1.61 1.51 -1.26 -4.53 117.35 116.90 2a2x s TYR 184 Ca 0.00 1.32 -0.11 0.00 -1.01 0.00 0.00 57.07 57.27 2a2x s TYR 184 Cb 0.00 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2a2x s TYR 184 CO 0.00 0.29 1.04 0.15 -1.11 0.00 0.00 175.55 175.91 2a2x s LYS 185 N -2.21 3.40 0.42 -0.62 1.02 -1.26 -4.83 119.74 115.65 2a2x s LYS 185 Ca 0.45 0.81 0.20 0.00 0.02 0.00 0.00 55.97 57.46 2a2x s LYS 185 Cb -0.15 -2.05 1.15 0.00 -0.52 0.00 0.00 37.83 36.26 2a2x s LYS 185 CO 0.20 -0.73 1.78 -1.35 -0.92 0.00 0.00 175.35 174.33 2a2x h PRO 186 N -0.44 0.34 -0.63 -1.68 0.11 -1.95 -1.96 132.00 125.78 2a2x h PRO 186 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a2x h PRO 186 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2a2x h PRO 186 CO 0.60 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 2a2x n ASP 186 N -4.57 5.15 -0.58 -2.05 5.68 -1.26 -4.37 116.55 114.54 2a2x n ASP 186 Ca 0.25 -2.65 0.13 0.00 -0.50 0.00 0.00 54.79 52.02 2a2x n ASP 186 Cb 0.90 -0.63 0.38 0.00 -1.14 0.00 0.00 41.12 40.63 2a2x n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2a2x n GLU 186 N 0.90 1.74 0.00 0.11 1.02 -0.74 -4.96 120.64 118.72 2a2x n GLU 186 Ca 0.26 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 2a2x n GLU 186 Cb 1.02 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2a2x n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a2x n GLY 186 N 1.25 1.04 3.87 0.62 0.00 -1.26 -4.91 105.19 105.79 2a2x n GLY 186 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2a2x n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a2x s LYS 186 N 0.00 3.75 0.02 1.61 1.02 -1.26 -5.08 119.74 119.80 2a2x s LYS 186 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.59 2a2x s LYS 186 Cb 0.00 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2a2x s LYS 186 CO 0.00 -0.22 0.03 2.89 -0.92 0.00 0.00 175.35 177.13 2a2x n ARG 187 N -1.79 0.04 0.00 1.68 1.85 -1.26 -4.75 116.66 112.43 2a2x n ARG 187 Ca 0.04 -0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2a2x n ARG 187 Cb 0.54 0.19 0.00 0.00 -1.05 0.00 0.00 32.46 32.15 2a2x n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a2x n GLY 188 N -0.04 4.16 3.61 2.89 0.00 -1.26 -4.92 105.19 109.62 2a2x n GLY 188 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.44 2a2x n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a2x s ASP 189 N 0.00 -0.05 0.86 1.61 3.68 -0.99 -4.63 116.67 117.14 2a2x s ASP 189 Ca 0.00 -0.12 -0.08 0.00 2.13 0.00 0.00 52.55 54.48 2a2x s ASP 189 Cb 0.00 0.14 0.18 0.00 -1.45 0.00 0.00 42.92 41.79 2a2x s ASP 189 CO 0.00 -0.27 1.17 0.00 0.13 0.00 0.00 175.17 176.20 2a2x s ALA 190 N -2.38 3.03 0.28 3.66 0.00 -1.26 -0.87 121.76 124.21 2a2x s ALA 190 Ca 0.14 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 2a2x s ALA 190 Cb 0.05 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 20.94 2a2x s ALA 190 CO -0.04 -2.02 0.92 0.00 0.00 0.00 0.00 175.76 174.61 2a2x n GLU 192 N -0.61 0.97 0.00 0.00 2.13 -1.26 -1.21 120.64 120.66 2a2x n GLU 192 Ca -0.05 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2a2x n GLU 192 Cb 0.60 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2a2x n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a2x n GLY 193 N 1.85 3.07 0.02 8.31 0.00 -1.26 -1.35 105.19 115.82 2a2x n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2a2x n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a2x n ASP 194 N 0.00 0.53 -4.42 1.61 10.43 -0.35 -4.05 116.55 120.30 2a2x n ASP 194 Ca 0.00 -0.14 -0.46 0.00 2.57 0.00 0.00 54.79 56.77 2a2x n ASP 194 Cb 0.00 0.23 -0.02 0.00 1.84 0.00 0.00 41.12 43.17 2a2x n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2a2x n SER 195 N -1.65 -1.11 0.00 -2.24 7.64 -1.26 -1.05 113.62 113.95 2a2x n SER 195 Ca 0.05 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2a2x n SER 195 Cb 0.36 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2a2x n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a2x n GLY 196 N 1.91 2.31 3.77 0.23 0.00 -0.52 0.86 105.19 113.75 2a2x n GLY 196 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2a2x n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a2x s GLY 197 N -2.00 2.00 0.09 -0.02 0.00 -0.22 -3.27 107.32 103.90 2a2x s GLY 197 Ca 0.00 0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.91 2a2x s GLY 197 CO 0.00 0.82 0.88 2.56 0.00 0.00 0.00 173.10 177.36 2a2x s PRO 198 N -4.36 4.62 -0.31 2.90 0.04 -1.26 -0.46 135.00 136.16 2a2x s PRO 198 Ca 0.65 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2a2x s PRO 198 Cb -0.20 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.00 2a2x s PRO 198 CO 0.47 0.26 0.09 0.12 0.04 0.00 0.00 177.00 177.97 2a2x s PHE 199 N -0.09 3.19 0.36 0.56 5.36 -0.54 -3.77 117.98 123.06 2a2x s PHE 199 Ca 0.43 -1.21 0.09 0.00 -0.96 0.00 0.00 56.93 55.28 2a2x s PHE 199 Cb -0.22 -2.26 -0.06 0.00 -0.34 0.00 0.00 43.02 40.14 2a2x s PHE 199 CO 0.27 -0.66 -0.03 0.14 -1.46 0.00 0.00 175.22 173.48 2a2x s VAL 200 N 1.45 2.29 -0.02 3.12 -7.23 0.19 -1.07 120.40 119.12 2a2x s VAL 200 Ca 0.00 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2a2x s VAL 200 Cb -0.18 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2a2x s VAL 200 CO 0.02 -0.15 0.09 -0.04 -0.31 0.00 0.00 175.10 174.71 2a2x s MET 201 N -3.67 0.22 -0.25 4.82 -1.94 -0.33 -0.83 119.30 117.32 2a2x s MET 201 Ca 0.34 -0.09 -0.14 0.00 -1.71 0.00 0.00 55.69 54.09 2a2x s MET 201 Cb 0.04 0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 2a2x s MET 201 CO 0.18 -0.04 0.31 0.21 -0.01 0.00 0.00 175.02 175.67 2a2x s LYS 202 N -0.49 4.06 0.13 2.03 2.20 -1.26 -0.78 119.74 125.64 2a2x s LYS 202 Ca -0.06 -0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 2a2x s LYS 202 Cb -0.04 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2a2x s LYS 202 CO 0.00 -0.13 1.40 0.45 -0.36 0.00 0.00 175.35 176.72 2a2x s SER 203 N 1.36 6.80 0.00 1.43 0.15 0.12 -4.89 113.70 118.67 2a2x s SER 203 Ca 0.14 2.38 0.30 0.00 0.70 0.00 0.00 55.95 59.46 2a2x s SER 203 Cb -0.15 -2.59 1.52 0.00 -1.71 0.00 0.00 66.02 63.09 2a2x s SER 203 CO 0.08 -0.66 2.05 -0.81 1.20 0.00 0.00 173.24 175.10 2a2x n PRO 204 N 3.75 0.49 -0.02 5.44 -0.04 -1.26 -1.93 135.00 141.42 2a2x n PRO 204 Ca 0.11 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2a2x n PRO 204 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 2a2x n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2a2x n PHE 204 N -1.24 1.14 -0.33 0.54 3.72 -1.26 -4.64 117.46 115.40 2a2x n PHE 204 Ca 0.15 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 2a2x n PHE 204 Cb 0.24 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 2a2x n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2a2x n ASN 204 N -3.68 1.15 -0.18 4.37 0.23 -1.25 -5.02 115.26 110.87 2a2x n ASN 204 Ca -0.33 -1.48 -0.02 0.00 -0.53 0.00 0.00 54.58 52.21 2a2x n ASN 204 Cb 0.97 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.66 2a2x n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2a2x n ASN 205 N -0.24 -4.48 -4.94 0.53 5.03 -0.81 -5.02 115.26 105.33 2a2x n ASN 205 Ca 0.00 0.06 -0.26 0.00 0.87 0.00 0.00 54.58 55.25 2a2x n ASN 205 Cb 0.26 -2.19 -0.03 0.00 -1.02 0.00 0.00 39.78 36.81 2a2x n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2a2x s ARG 206 N -1.44 3.50 -0.10 3.52 0.52 -1.25 -4.77 118.95 118.93 2a2x s ARG 206 Ca 0.00 -0.39 -0.13 0.00 -0.52 0.00 0.00 55.73 54.69 2a2x s ARG 206 Cb 0.00 -2.80 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 2a2x s ARG 206 CO 0.00 0.34 0.32 -1.58 0.02 0.00 0.00 175.30 174.40 2a2x s TRP 207 N -1.99 3.57 0.01 -0.53 0.52 -1.26 0.13 118.94 119.39 2a2x s TRP 207 Ca 0.38 0.73 0.07 0.00 0.02 0.00 0.00 56.10 57.29 2a2x s TRP 207 Cb -0.10 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 2a2x s TRP 207 CO 0.31 0.43 -0.20 0.71 0.02 0.00 0.00 176.95 178.22 2a2x s TYR 208 N -0.22 1.79 -0.36 -1.98 2.02 0.04 -2.01 117.35 116.63 2a2x s TYR 208 Ca 0.19 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.34 2a2x s TYR 208 Cb -0.14 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2a2x s TYR 208 CO 0.07 0.02 0.61 -1.14 -1.57 0.00 0.00 175.55 173.54 2a2x s GLN 209 N -0.78 3.65 -0.09 -0.62 0.74 -0.56 -1.19 119.66 120.82 2a2x s GLN 209 Ca 0.07 -0.01 0.15 0.00 0.05 0.00 0.00 55.36 55.63 2a2x s GLN 209 Cb -0.08 -3.81 -0.23 0.00 1.10 0.00 0.00 33.01 29.98 2a2x s GLN 209 CO 0.00 -0.73 0.47 -1.33 -0.55 0.00 0.00 175.29 173.15 2a2x n MET 210 N 5.99 0.65 -4.17 1.67 2.81 -0.23 -4.36 117.12 119.47 2a2x n MET 210 Ca -0.02 0.17 -0.15 0.00 -1.81 0.00 0.00 57.70 55.89 2a2x n MET 210 Cb 0.49 -1.69 -0.07 0.00 -0.71 0.00 0.00 33.22 31.23 2a2x n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2a2x s GLY 211 N -5.19 1.63 -0.05 3.03 0.00 -0.94 -1.84 107.32 103.96 2a2x s GLY 211 Ca -0.06 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.00 2a2x s GLY 211 CO 0.83 -1.23 -0.08 -0.42 0.00 0.00 0.00 173.10 172.21 2a2x s ILE 212 N -3.63 0.76 -0.23 0.90 1.01 -1.10 -1.46 121.20 117.46 2a2x s ILE 212 Ca 0.35 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2a2x s ILE 212 Cb 0.03 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 2a2x s ILE 212 CO 0.19 0.27 2.20 0.52 0.00 0.00 0.00 174.94 178.12 2a2x n VAL 213 N 3.90 0.34 0.00 2.92 0.31 0.39 -1.52 118.33 124.67 2a2x n VAL 213 Ca -0.24 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2a2x n VAL 213 Cb 0.51 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 2a2x n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2a2x n SER 214 N 11.05 0.00 -3.66 4.52 2.88 -0.77 -1.44 113.62 126.21 2a2x n SER 214 Ca 0.32 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.72 2a2x n SER 214 Cb 0.40 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2a2x n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2a2x s TRP 215 N -0.60 0.99 0.04 0.66 1.48 -1.10 -4.90 118.94 115.51 2a2x s TRP 215 Ca 0.00 -1.21 -0.28 0.00 -1.06 0.00 0.00 56.10 53.54 2a2x s TRP 215 Cb 0.00 -0.19 0.10 0.00 -1.16 0.00 0.00 33.47 32.22 2a2x s TRP 215 CO 0.00 -0.96 1.15 0.20 -4.06 0.00 0.00 176.95 173.28 2a2x s GLY 216 N -3.18 -0.34 -0.54 3.67 0.00 -1.26 -1.14 107.32 104.53 2a2x s GLY 216 Ca 0.32 0.52 -0.01 0.00 0.00 0.00 0.00 44.72 45.55 2a2x s GLY 216 CO 0.16 0.10 0.33 -0.54 0.00 0.00 0.00 173.10 173.15 2a2x s GLU 217 N -2.78 2.25 1.37 2.90 2.02 -1.26 -4.99 118.70 118.20 2a2x s GLU 217 Ca 0.13 -2.36 0.00 0.00 0.02 0.00 0.00 54.97 52.75 2a2x s GLU 217 Cb 0.02 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2a2x s GLU 217 CO -0.02 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.55 2a2x n GLY 219 N 3.68 -1.33 2.97 -1.39 0.00 -1.26 -4.82 105.19 103.03 2a2x n GLY 219 Ca 0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2a2x n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a2x n ASP 221 N 4.79 -1.27 -4.79 0.00 2.03 -1.26 -4.52 116.55 111.53 2a2x n ASP 221 Ca -0.15 -0.95 -0.36 0.00 0.52 0.00 0.00 54.79 53.85 2a2x n ASP 221 Cb 0.51 -3.44 -0.07 0.00 -0.72 0.00 0.00 41.12 37.40 2a2x n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2a2x s ARG 221 N -6.27 3.87 0.29 -0.67 0.52 -1.26 -4.95 118.95 110.48 2a2x s ARG 221 Ca 0.07 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.82 2a2x s ARG 221 Cb -0.02 -3.32 -0.13 0.00 0.52 0.00 0.00 34.95 32.00 2a2x s ARG 221 CO 0.86 0.50 1.41 -0.25 0.02 0.00 0.00 175.30 177.84 2a2x n ASP 222 N 2.85 3.01 0.00 0.23 9.92 -1.26 -1.38 116.55 129.91 2a2x n ASP 222 Ca -0.17 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 2a2x n ASP 222 Cb 0.53 -1.48 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 2a2x n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a2x n GLY 223 N 1.68 3.15 3.90 0.44 0.00 -1.26 -5.01 105.19 108.08 2a2x n GLY 223 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2a2x n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a2x s LYS 224 N -0.33 3.29 0.12 1.61 -0.14 -0.48 -4.83 119.74 118.99 2a2x s LYS 224 Ca 0.00 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.99 2a2x s LYS 224 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 2a2x s LYS 224 CO 0.00 0.52 -0.09 0.71 -0.76 0.00 0.00 175.35 175.73 2a2x s TYR 225 N -1.72 1.14 0.15 3.18 1.51 -1.26 -4.64 117.35 115.71 2a2x s TYR 225 Ca 0.34 -0.77 -0.21 0.00 -1.01 0.00 0.00 57.07 55.42 2a2x s TYR 225 Cb -0.11 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 41.06 2a2x s TYR 225 CO 0.27 0.01 0.68 0.20 -1.11 0.00 0.00 175.55 175.60 2a2x s GLY 226 N -2.98 2.71 -0.04 0.71 0.00 -1.06 -4.57 107.32 102.08 2a2x s GLY 226 Ca 0.13 0.15 0.02 0.00 0.00 0.00 0.00 44.72 45.03 2a2x s GLY 226 CO -0.01 0.57 -0.08 -1.36 0.00 0.00 0.00 173.10 172.22 2a2x s PHE 227 N -1.29 2.89 0.07 1.90 0.40 -0.29 -1.12 117.98 120.53 2a2x s PHE 227 Ca 0.36 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.72 2a2x s PHE 227 Cb -0.19 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2a2x s PHE 227 CO 0.22 0.33 -0.15 0.71 0.70 0.00 0.00 175.22 177.03 2a2x s TYR 228 N -0.88 1.30 0.04 0.36 1.51 0.77 -1.84 117.35 118.60 2a2x s TYR 228 Ca 0.14 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 2a2x s TYR 228 Cb -0.11 -0.74 -0.06 0.00 -0.11 0.00 0.00 41.96 40.94 2a2x s TYR 228 CO 0.04 0.07 1.29 0.99 -1.11 0.00 0.00 175.55 176.83 2a2x s THR 229 N -1.13 3.84 -0.90 -0.71 2.01 -0.58 -1.68 115.64 116.50 2a2x s THR 229 Ca 0.00 1.28 -0.24 0.00 0.31 0.00 0.00 61.69 63.03 2a2x s THR 229 Cb -0.09 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 2a2x s THR 229 CO 0.02 0.06 1.70 -2.28 -0.69 0.00 0.00 174.62 173.42 2a2x s HIS 230 N 1.60 2.10 0.28 4.92 2.46 0.70 -2.70 115.29 124.64 2a2x s HIS 230 Ca 0.61 0.05 0.02 0.00 0.47 0.00 0.00 55.06 56.20 2a2x s HIS 230 Cb -0.31 -4.34 0.60 0.00 -0.13 0.00 0.00 32.58 28.41 2a2x s HIS 230 CO 0.28 -1.91 1.77 0.28 -2.47 0.00 0.00 174.74 172.69 2a2x h VAL 231 N 6.94 0.74 -0.42 0.89 2.07 -1.68 -2.29 116.25 122.49 2a2x h VAL 231 Ca 0.06 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2a2x h VAL 231 Cb 1.03 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2a2x h VAL 231 CO 1.30 0.13 -0.00 0.15 0.02 0.00 0.00 177.57 179.16 2a2x h PHE 232 N 0.71 0.73 -0.01 1.57 3.57 -1.88 -2.09 116.94 119.53 2a2x h PHE 232 Ca 0.51 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2a2x h PHE 232 Cb 0.72 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2a2x h PHE 232 CO -0.05 0.69 0.01 0.00 -2.23 0.00 0.00 178.31 176.72 2a2x h ARG 233 N 0.65 0.00 -0.47 1.11 2.47 -1.79 -1.83 114.38 114.52 2a2x h ARG 233 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2a2x h ARG 233 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2a2x h ARG 233 CO 0.02 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.83 2a2x n LEU 234 N -4.42 3.31 -0.31 3.04 4.77 -0.95 -4.61 117.00 117.82 2a2x n LEU 234 Ca -0.03 -1.86 0.10 0.00 -0.03 0.00 0.00 56.01 54.19 2a2x n LEU 234 Cb 0.10 -0.31 0.27 0.00 -2.33 0.00 0.00 43.42 41.15 2a2x n LEU 234 CO 0.33 0.80 1.12 0.50 -1.33 0.00 0.00 177.39 178.81 2a2x h LYS 235 N 3.21 0.60 -0.41 3.23 1.63 -0.66 -1.45 116.57 122.73 2a2x h LYS 235 Ca 0.00 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 2a2x h LYS 235 Cb 0.84 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2a2x h LYS 235 CO 0.00 0.40 -0.13 0.87 -3.45 0.00 0.00 179.45 177.14 2a2x h LYS 236 N 0.62 0.74 -0.03 1.90 1.57 -1.82 -0.25 116.57 119.32 2a2x h LYS 236 Ca 0.51 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2a2x h LYS 236 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2a2x h LYS 236 CO -0.40 0.84 -0.35 2.35 -0.57 0.00 0.00 179.45 181.33 2a2x h TRP 237 N 0.67 0.06 -0.01 -1.35 7.01 -1.63 -1.06 115.95 119.65 2a2x h TRP 237 Ca 0.11 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2a2x h TRP 237 Cb 0.61 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 2a2x h TRP 237 CO 0.03 0.40 -0.01 0.82 -2.79 0.00 0.00 178.44 176.90 2a2x h ILE 238 N 0.05 1.32 -0.17 2.65 2.04 -0.66 -1.99 117.51 120.74 2a2x h ILE 238 Ca 0.00 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2a2x h ILE 238 Cb 0.64 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2a2x h ILE 238 CO 0.05 0.25 0.05 1.56 0.00 0.00 0.00 178.15 180.06 2a2x h GLN 239 N -0.37 0.13 -0.02 2.37 4.20 -0.85 -1.95 115.11 118.62 2a2x h GLN 239 Ca 0.00 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2a2x h GLN 239 Cb 0.41 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2a2x h GLN 239 CO 0.00 0.08 -0.24 0.87 -0.67 0.00 0.00 178.83 178.88 2a2x h LYS 240 N 0.13 -0.28 -0.76 1.46 1.57 -1.18 -1.48 116.57 116.03 2a2x h LYS 240 Ca 0.08 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.02 2a2x h LYS 240 Cb 0.05 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.28 2a2x h LYS 240 CO -0.09 -0.18 -0.22 0.28 -0.57 0.00 0.00 179.45 178.67 2a2x h VAL 241 N -0.29 0.21 0.19 0.50 2.07 -1.24 -1.71 116.25 115.97 2a2x h VAL 241 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2a2x h VAL 241 Cb 0.32 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2a2x h VAL 241 CO -0.17 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.73 2a2x h ILE 242 N -0.02 0.89 -0.19 4.57 2.04 -1.01 -2.00 117.51 121.79 2a2x h ILE 242 Ca 0.35 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2a2x h ILE 242 Cb 0.57 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2a2x h ILE 242 CO -0.79 0.09 0.00 -0.90 0.00 0.00 0.00 178.15 176.55 2a2x n ASP 243 N -5.11 1.07 -0.02 1.72 3.85 -0.59 -3.20 116.55 114.28 2a2x n ASP 243 Ca -0.09 -1.95 0.03 0.00 -0.71 0.00 0.00 54.79 52.07 2a2x n ASP 243 Cb 0.19 -0.13 -0.09 0.00 -1.35 0.00 0.00 41.12 39.74 2a2x n ASP 243 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2a2x n GLN 244 N 0.07 0.77 0.00 0.11 1.13 -0.66 -5.06 117.38 113.74 2a2x n GLN 244 Ca 0.08 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2a2x n GLN 244 Cb 0.18 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2a2x n GLN 244 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81