#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1d s VAL 17 N 0.00 4.91 -1.61 1.39 1.01 0.57 -3.51 120.40 123.16 2a1d s VAL 17 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2a1d s VAL 17 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2a1d s VAL 17 CO 0.00 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 2a1d n GLU 18 N 1.88 -1.39 0.00 2.72 -0.58 -1.26 -2.51 120.64 119.50 2a1d n GLU 18 Ca -0.12 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 2a1d n GLU 18 Cb 0.52 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 26.01 2a1d n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a1d n GLY 19 N -0.96 -2.16 3.65 0.62 0.00 -1.23 -4.87 105.19 100.23 2a1d n GLY 19 Ca -0.21 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 2a1d n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a1d s GLN 20 N 0.00 0.18 -0.09 1.61 0.74 -1.20 -4.89 119.66 116.01 2a1d s GLN 20 Ca 0.00 0.25 -0.36 0.00 0.05 0.00 0.00 55.36 55.30 2a1d s GLN 20 Cb 0.00 0.07 -0.14 0.00 1.10 0.00 0.00 33.01 34.05 2a1d s GLN 20 CO 0.00 -0.03 1.74 -0.25 -0.55 0.00 0.00 175.29 176.20 2a1d n ASP 21 N 2.32 2.89 -4.59 6.67 9.92 -1.26 -1.34 116.55 131.16 2a1d n ASP 21 Ca -0.13 1.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.88 2a1d n ASP 21 Cb 0.57 -1.29 0.20 0.00 -0.64 0.00 0.00 41.12 39.95 2a1d n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a1d s ALA 22 N 3.06 0.58 -0.55 2.24 0.00 0.15 -4.84 121.76 122.40 2a1d s ALA 22 Ca 0.91 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 2a1d s ALA 22 Cb -0.83 -3.12 0.14 0.00 0.00 0.00 0.00 23.12 19.31 2a1d s ALA 22 CO 0.53 -3.14 0.46 -1.21 0.00 0.00 0.00 175.76 172.41 2a1d s GLU 23 N -4.90 2.81 0.00 0.00 2.02 -1.26 -4.92 118.70 112.44 2a1d s GLU 23 Ca 0.66 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2a1d s GLU 23 Cb -0.19 -4.11 0.00 0.00 0.10 0.00 0.00 34.13 29.93 2a1d s GLU 23 CO 0.59 -1.25 0.00 1.55 0.02 0.00 0.00 175.26 176.16 2a1d n VAL 24 N 4.82 0.00 -0.38 2.63 3.14 -1.26 -1.07 118.33 126.22 2a1d n VAL 24 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2a1d n VAL 24 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 2a1d n VAL 24 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2a1d n GLY 25 N 0.00 0.95 0.09 7.55 0.00 -1.26 -4.98 105.19 107.53 2a1d n GLY 25 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2a1d n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2a1d n LEU 26 N 0.00 1.02 -3.19 0.99 7.94 -0.23 -4.63 117.00 118.89 2a1d n LEU 26 Ca 0.00 0.37 -0.22 0.00 -1.11 0.00 0.00 56.01 55.06 2a1d n LEU 26 Cb 0.03 0.06 -0.05 0.00 0.53 0.00 0.00 43.42 43.98 2a1d n LEU 26 CO 0.00 0.44 -0.24 -1.20 -1.11 0.00 0.00 177.39 175.29 2a1d n SER 27 N -3.07 0.79 -0.28 1.96 7.64 -1.26 -4.98 113.62 114.41 2a1d n SER 27 Ca -0.19 -2.90 0.08 0.00 1.01 0.00 0.00 58.87 56.87 2a1d n SER 27 Cb 1.06 -0.63 0.21 0.00 -1.01 0.00 0.00 64.21 63.84 2a1d n SER 27 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2a1d h PRO 28 N 3.55 0.12 0.00 1.43 0.13 -1.79 0.51 132.00 135.96 2a1d h PRO 28 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2a1d h PRO 28 Cb 0.89 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2a1d h PRO 28 CO 0.51 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.69 2a1d n TRP 29 N -5.32 0.00 -2.27 1.56 2.14 0.62 -4.07 117.44 110.09 2a1d n TRP 29 Ca 0.17 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.31 2a1d n TRP 29 Cb 0.56 -0.21 -0.02 0.00 -0.81 0.00 0.00 31.31 30.83 2a1d n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2a1d s GLN 30 N -2.41 3.58 0.41 -2.67 2.00 0.18 0.91 119.66 121.65 2a1d s GLN 30 Ca 0.10 1.11 0.08 0.00 -2.00 0.00 0.00 55.36 54.65 2a1d s GLN 30 Cb 0.06 -4.05 0.01 0.00 0.80 0.00 0.00 33.01 29.83 2a1d s GLN 30 CO 0.13 -1.56 0.54 0.08 -0.50 0.00 0.00 175.29 173.98 2a1d s VAL 31 N 5.60 3.15 -0.28 1.34 1.01 -1.20 -4.05 120.40 125.97 2a1d s VAL 31 Ca 0.65 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2a1d s VAL 31 Cb -0.16 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.25 2a1d s VAL 31 CO 0.32 -0.02 0.10 -0.32 0.00 0.00 0.00 175.10 175.17 2a1d s MET 32 N -4.31 0.50 -0.41 2.72 1.75 -1.04 -2.09 119.30 116.43 2a1d s MET 32 Ca 0.53 -0.73 -0.28 0.00 -1.25 0.00 0.00 55.69 53.95 2a1d s MET 32 Cb -0.10 -1.73 -0.00 0.00 2.84 0.00 0.00 34.83 35.84 2a1d s MET 32 CO 0.32 -0.92 1.59 -0.51 -0.65 0.00 0.00 175.02 174.86 2a1d s LEU 33 N 1.84 3.51 0.02 4.11 1.43 0.19 -2.13 118.68 127.65 2a1d s LEU 33 Ca 0.07 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 2a1d s LEU 33 Cb -0.17 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2a1d s LEU 33 CO -0.25 -1.64 -0.07 0.12 0.23 0.00 0.00 176.35 174.74 2a1d s PHE 34 N 6.33 2.88 -0.02 0.29 5.36 -1.07 -1.15 117.98 130.60 2a1d s PHE 34 Ca 0.68 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 56.49 2a1d s PHE 34 Cb -0.17 -1.59 -0.05 0.00 -0.34 0.00 0.00 43.02 40.88 2a1d s PHE 34 CO 0.31 0.38 0.32 0.50 -1.46 0.00 0.00 175.22 175.28 2a1d s ARG 35 N -1.55 3.73 0.01 10.12 3.52 0.92 -1.46 118.95 134.24 2a1d s ARG 35 Ca 0.18 0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.90 2a1d s ARG 35 Cb -0.11 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2a1d s ARG 35 CO 0.09 0.69 0.89 0.87 -0.81 0.00 0.00 175.30 177.03 2a1d h LYS 36 N 4.54 -0.23 -3.42 5.12 1.57 -1.65 -3.01 116.57 119.50 2a1d h LYS 36 Ca -0.52 0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.02 2a1d h LYS 36 Cb 1.22 0.05 -0.32 0.00 0.08 0.00 0.00 32.23 33.26 2a1d h LYS 36 CO 0.62 -0.15 -0.65 0.45 -0.57 0.00 0.00 179.45 179.14 2a1d s SER 36 N -2.67 -0.04 0.17 0.86 0.15 -1.26 -1.92 113.70 109.00 2a1d s SER 36 Ca -0.03 0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 2a1d s SER 36 Cb 0.00 0.09 -0.08 0.00 -1.71 0.00 0.00 66.02 64.32 2a1d s SER 36 CO 0.10 -0.12 1.25 -2.16 1.20 0.00 0.00 173.24 173.52 2a1d s PRO 37 N 0.89 4.43 -0.46 5.44 0.04 -1.26 -5.01 135.00 139.07 2a1d s PRO 37 Ca -0.07 1.95 -0.44 0.00 0.04 0.00 0.00 61.00 62.48 2a1d s PRO 37 Cb -0.10 -3.23 -0.18 0.00 0.04 0.00 0.00 34.50 31.03 2a1d s PRO 37 CO -0.04 -0.19 1.91 1.04 0.04 0.00 0.00 177.00 179.76 2a1d n GLN 38 N 2.79 0.21 -3.66 4.56 6.02 -0.81 -4.84 117.38 121.64 2a1d n GLN 38 Ca 0.06 0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 56.99 2a1d n GLN 38 Cb 0.44 -1.64 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 2a1d n GLN 38 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2a1d s GLU 39 N 4.67 0.71 -0.05 -1.09 2.12 -1.14 -5.00 118.70 118.93 2a1d s GLU 39 Ca 1.11 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 57.05 2a1d s GLU 39 Cb -1.40 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 2a1d s GLU 39 CO 0.70 -0.10 1.13 -1.17 -0.54 0.00 0.00 175.26 175.29 2a1d s LEU 40 N 0.54 4.29 -0.21 2.70 2.96 -1.26 -0.06 118.68 127.65 2a1d s LEU 40 Ca -0.02 1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 55.49 2a1d s LEU 40 Cb -0.05 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 2a1d s LEU 40 CO -0.02 -0.50 -0.31 0.18 -1.32 0.00 0.00 176.35 174.37 2a1d n LEU 41 N 4.85 1.93 -3.82 -0.68 4.77 -0.30 -4.90 117.00 118.85 2a1d n LEU 41 Ca 0.10 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 2a1d n LEU 41 Cb 0.47 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2a1d n LEU 41 CO 0.54 -0.02 0.54 0.00 -1.33 0.00 0.00 177.39 177.13 2a1d n GLY 43 N -0.53 0.23 0.00 0.00 0.00 -1.24 0.55 105.19 104.21 2a1d n GLY 43 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2a1d n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1d n ALA 44 N -3.06 0.00 -3.71 4.61 0.00 -0.89 -3.00 120.51 114.46 2a1d n ALA 44 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2a1d n ALA 44 Cb 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 2a1d n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2a1d s SER 45 N -0.16 -0.38 -0.20 0.00 0.15 0.77 -3.25 113.70 110.63 2a1d s SER 45 Ca 0.00 0.73 -0.18 0.00 0.70 0.00 0.00 55.95 57.19 2a1d s SER 45 Cb 0.00 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2a1d s SER 45 CO 0.00 -0.18 0.52 -0.22 1.20 0.00 0.00 173.24 174.56 2a1d s LEU 46 N 1.40 4.14 0.00 3.45 2.96 0.26 0.25 118.68 131.15 2a1d s LEU 46 Ca -0.09 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 54.58 2a1d s LEU 46 Cb -0.09 -2.71 0.06 0.00 0.50 0.00 0.00 46.19 43.94 2a1d s LEU 46 CO -0.11 -0.19 0.74 2.30 -1.32 0.00 0.00 176.35 177.78 2a1d n ILE 47 N 4.57 0.00 0.00 6.68 -5.35 0.09 -1.45 119.36 123.90 2a1d n ILE 47 Ca -0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2a1d n ILE 47 Cb 0.50 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 2a1d n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2a1d n SER 48 N 0.38 3.17 -0.09 7.28 3.41 -1.19 -4.61 113.62 121.96 2a1d n SER 48 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.68 2a1d n SER 48 Cb 0.21 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.20 2a1d n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2a1d n ASP 49 N 0.00 2.18 0.00 4.04 5.75 -1.26 -4.51 116.55 122.74 2a1d n ASP 49 Ca 0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 2a1d n ASP 49 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2a1d n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2a1d n ARG 50 N -0.56 0.00 -5.12 0.11 1.85 -1.26 -1.69 116.66 110.00 2a1d n ARG 50 Ca 0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.57 2a1d n ARG 50 Cb 0.34 -0.06 -0.16 0.00 -1.05 0.00 0.00 32.46 31.53 2a1d n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2a1d s TRP 51 N 0.00 2.61 -0.02 2.89 0.52 -1.26 -1.20 118.94 122.48 2a1d s TRP 51 Ca 0.00 -0.90 0.04 0.00 0.02 0.00 0.00 56.10 55.26 2a1d s TRP 51 Cb 0.00 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2a1d s TRP 51 CO 0.00 -0.34 -0.13 0.54 0.02 0.00 0.00 176.95 177.04 2a1d s VAL 52 N 0.26 1.07 -0.15 4.03 0.11 -0.37 -0.73 120.40 124.63 2a1d s VAL 52 Ca -0.15 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.32 2a1d s VAL 52 Cb -0.17 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2a1d s VAL 52 CO 0.07 0.31 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.89 2a1d s LEU 53 N -0.12 3.23 0.22 2.54 2.96 0.69 -0.25 118.68 127.96 2a1d s LEU 53 Ca 0.01 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 2a1d s LEU 53 Cb -0.07 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2a1d s LEU 53 CO 0.00 0.18 0.27 0.28 -1.32 0.00 0.00 176.35 175.76 2a1d s THR 54 N 0.27 0.00 -0.29 3.68 -1.32 0.46 -0.17 115.64 118.27 2a1d s THR 54 Ca -0.03 -1.78 -0.29 0.00 -1.21 0.00 0.00 61.69 58.39 2a1d s THR 54 Cb -0.14 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 2a1d s THR 54 CO 0.03 0.00 1.78 0.00 -2.21 0.00 0.00 174.62 174.22 2a1d s ALA 55 N -4.08 2.97 0.29 11.08 0.00 -1.25 0.16 121.76 130.92 2a1d s ALA 55 Ca 0.33 0.36 0.16 0.00 0.00 0.00 0.00 51.96 52.81 2a1d s ALA 55 Cb 0.04 -3.98 1.04 0.00 0.00 0.00 0.00 23.12 20.22 2a1d s ALA 55 CO 0.11 -2.46 1.23 0.00 0.00 0.00 0.00 175.76 174.64 2a1d n ALA 56 N 9.87 0.79 1.07 0.00 0.00 -1.23 0.33 120.51 131.34 2a1d n ALA 56 Ca 0.22 0.79 0.12 0.00 0.00 0.00 0.00 53.44 54.58 2a1d n ALA 56 Cb 0.46 -0.79 0.59 0.00 0.00 0.00 0.00 19.45 19.71 2a1d n ALA 56 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2a1d n HIS 57 N -4.76 0.00 0.20 0.00 1.44 -1.26 -3.01 115.22 107.83 2a1d n HIS 57 Ca 0.29 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.05 2a1d n HIS 57 Cb 0.99 -0.35 0.42 0.00 0.12 0.00 0.00 29.99 31.18 2a1d n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2a1d n LEU 59 N -3.97 1.85 -4.38 0.00 4.77 -1.16 -4.88 117.00 109.22 2a1d n LEU 59 Ca -0.02 0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 56.15 2a1d n LEU 59 Cb 0.38 -0.89 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 2a1d n LEU 59 CO 0.37 -0.11 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.62 2a1d s LEU 60 N -8.01 2.59 -0.05 2.23 0.20 -1.20 -1.22 118.68 113.22 2a1d s LEU 60 Ca -0.23 -0.32 -0.31 0.00 0.69 0.00 0.00 54.13 53.96 2a1d s LEU 60 Cb 0.05 -1.55 0.11 0.00 -0.43 0.00 0.00 46.19 44.37 2a1d s LEU 60 CO 0.39 0.24 1.11 -0.47 -0.29 0.00 0.00 176.35 177.32 2a1d s TYR 60 N -0.08 -0.17 0.00 5.38 5.04 0.67 -4.14 117.35 124.05 2a1d s TYR 60 Ca -0.03 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 2a1d s TYR 60 Cb -0.14 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.72 2a1d s TYR 60 CO 0.04 -0.40 0.00 -2.30 -1.34 0.00 0.00 175.55 171.55 2a1d n PRO 60 N -0.27 0.00 -0.92 4.97 -0.02 -1.26 -2.74 135.00 134.75 2a1d n PRO 60 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.37 2a1d n PRO 60 Cb 0.60 -0.03 0.26 0.00 -0.02 0.00 0.00 33.50 34.32 2a1d n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2a1d n TRP 60 N 0.00 2.23 -2.24 6.00 8.01 -1.26 -4.89 117.44 125.29 2a1d n TRP 60 Ca 0.00 -1.12 -0.15 0.00 -1.31 0.00 0.00 57.50 54.93 2a1d n TRP 60 Cb 0.00 -0.65 -0.02 0.00 -2.01 0.00 0.00 31.31 28.63 2a1d n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2a1d n ASP 60 N -0.14 -4.34 -4.72 -0.99 8.00 -1.22 -4.92 116.55 108.22 2a1d n ASP 60 Ca 0.37 0.18 -0.38 0.00 0.71 0.00 0.00 54.79 55.67 2a1d n ASP 60 Cb 1.29 -3.72 -0.06 0.00 -0.02 0.00 0.00 41.12 38.62 2a1d n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2a1d s LYS 60 N -4.69 4.36 -0.36 -1.24 1.02 -1.11 -4.98 119.74 112.74 2a1d s LYS 60 Ca 0.00 0.53 -0.06 0.00 0.02 0.00 0.00 55.97 56.46 2a1d s LYS 60 Cb 0.00 -3.44 0.20 0.00 -0.52 0.00 0.00 37.83 34.08 2a1d s LYS 60 CO 0.00 0.14 1.04 1.21 -0.92 0.00 0.00 175.35 176.82 2a1d s ASN 60 N 0.65 -0.45 0.59 2.83 2.47 -1.09 -0.24 114.94 119.70 2a1d s ASN 60 Ca 0.28 -0.44 -0.03 0.00 0.42 0.00 0.00 52.86 53.09 2a1d s ASN 60 Cb -0.16 0.58 0.03 0.00 -1.45 0.00 0.00 41.25 40.25 2a1d s ASN 60 CO 0.12 -0.03 0.86 -0.36 -3.72 0.00 0.00 177.10 173.97 2a1d s PHE 60 N 1.26 3.07 0.20 0.43 0.08 -0.36 -4.98 117.98 117.69 2a1d s PHE 60 Ca 0.21 0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.63 2a1d s PHE 60 Cb 0.08 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 2a1d s PHE 60 CO -0.11 -0.91 0.15 0.95 -0.10 0.00 0.00 175.22 175.20 2a1d s THR 60 N -2.93 0.00 0.32 0.64 -4.23 -1.26 -4.82 115.64 103.36 2a1d s THR 60 Ca 0.55 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 2a1d s THR 60 Cb -0.10 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.65 2a1d s THR 60 CO 0.42 0.00 1.58 -0.37 -0.54 0.00 0.00 174.62 175.71 2a1d h VAL 61 N 2.59 0.02 -0.20 2.29 -1.51 -1.91 -0.16 116.25 117.39 2a1d h VAL 61 Ca -0.35 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.08 2a1d h VAL 61 Cb 1.25 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2a1d h VAL 61 CO 0.52 0.00 0.01 0.44 -1.23 0.00 0.00 177.57 177.31 2a1d h ASP 62 N 0.01 0.33 -0.44 4.19 3.32 -1.96 -3.22 116.42 118.66 2a1d h ASP 62 Ca 0.66 -0.29 0.13 0.00 0.02 0.00 0.00 57.03 57.55 2a1d h ASP 62 Cb 1.49 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 2a1d h ASP 62 CO -0.88 0.54 0.47 0.44 -1.72 0.00 0.00 179.24 178.09 2a1d h ASP 63 N 0.11 0.00 -3.89 6.45 3.45 -1.41 -3.45 116.42 117.68 2a1d h ASP 63 Ca 0.06 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.21 2a1d h ASP 63 Cb 0.36 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.05 2a1d h ASP 63 CO 0.01 0.00 -0.27 0.00 -1.57 0.00 0.00 179.24 177.41 2a1d n LEU 64 N -3.70 0.00 -3.64 1.55 -0.00 -1.19 -1.81 117.00 108.21 2a1d n LEU 64 Ca 0.08 -2.30 -0.09 0.00 -0.00 0.00 0.00 56.01 53.70 2a1d n LEU 64 Cb 0.65 1.49 -0.07 0.00 -0.00 0.00 0.00 43.42 45.49 2a1d n LEU 64 CO 0.27 -0.43 0.48 -1.48 -0.00 0.00 0.00 177.39 176.23 2a1d s LEU 65 N 0.00 -0.74 0.65 1.47 0.05 -0.53 -4.54 118.68 115.03 2a1d s LEU 65 Ca 0.27 1.29 -0.08 0.00 0.05 0.00 0.00 54.13 55.66 2a1d s LEU 65 Cb 0.01 2.24 0.02 0.00 -2.05 0.00 0.00 46.19 46.40 2a1d s LEU 65 CO 0.19 -0.21 0.99 0.68 -0.55 0.00 0.00 176.35 177.45 2a1d s VAL 66 N 0.99 3.43 -0.19 1.48 -7.23 -0.99 -2.61 120.40 115.28 2a1d s VAL 66 Ca -0.05 0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 2a1d s VAL 66 Cb -0.05 -3.41 0.08 0.00 0.56 0.00 0.00 36.38 33.56 2a1d s VAL 66 CO -0.11 -0.48 0.16 -0.13 -0.31 0.00 0.00 175.10 174.24 2a1d s ARG 67 N -5.17 0.14 0.22 4.82 1.81 -0.91 -2.19 118.95 117.67 2a1d s ARG 67 Ca 0.56 0.04 0.05 0.00 -1.72 0.00 0.00 55.73 54.66 2a1d s ARG 67 Cb -0.11 -1.48 -0.03 0.00 -0.45 0.00 0.00 34.95 32.89 2a1d s ARG 67 CO 0.48 -0.69 0.31 0.42 -0.68 0.00 0.00 175.30 175.14 2a1d s ILE 68 N 2.23 5.11 -0.39 1.52 1.09 -0.92 -2.49 121.20 127.35 2a1d s ILE 68 Ca 0.05 -1.00 -0.12 0.00 -1.10 0.00 0.00 60.65 58.48 2a1d s ILE 68 Cb -0.16 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 2a1d s ILE 68 CO -0.12 -0.28 0.51 0.61 -0.10 0.00 0.00 174.94 175.56 2a1d n GLY 69 N -1.15 -1.20 0.00 6.18 0.00 -1.25 -2.43 105.19 105.33 2a1d n GLY 69 Ca -0.08 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2a1d n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a1d n LYS 70 N -0.48 0.28 0.01 1.61 5.02 -1.26 -3.34 118.16 120.00 2a1d n LYS 70 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2a1d n LYS 70 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 2a1d n LYS 70 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2a1d n HIS 71 N 0.00 -1.06 -3.28 2.13 -0.00 -1.26 -4.75 115.22 107.00 2a1d n HIS 71 Ca 0.00 0.04 -0.39 0.00 -0.00 0.00 0.00 57.72 57.37 2a1d n HIS 71 Cb 0.00 0.29 -0.07 0.00 -0.00 0.00 0.00 29.99 30.21 2a1d n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2a1d s SER 72 N -2.00 6.57 0.41 0.26 0.15 -1.26 -0.02 113.70 117.82 2a1d s SER 72 Ca 0.00 0.69 0.22 0.00 0.70 0.00 0.00 55.95 57.56 2a1d s SER 72 Cb 0.00 -2.28 0.46 0.00 -1.71 0.00 0.00 66.02 62.48 2a1d s SER 72 CO 0.00 -0.13 1.64 0.08 1.20 0.00 0.00 173.24 176.02 2a1d h ARG 73 N 7.30 0.00 0.00 5.44 0.11 -0.98 -3.41 114.38 122.84 2a1d h ARG 73 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2a1d h ARG 73 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2a1d h ARG 73 CO 0.74 0.16 0.00 2.41 0.10 0.00 0.00 179.97 183.38 2a1d n THR 74 N -3.17 0.00 -1.42 0.08 -1.04 -1.26 -4.96 114.28 102.52 2a1d n THR 74 Ca 0.03 0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.75 2a1d n THR 74 Cb 0.55 -0.54 0.09 0.00 -1.82 0.00 0.00 70.33 68.61 2a1d n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a1d s ARG 75 N 0.00 2.19 0.25 -2.82 1.81 -1.26 -5.01 118.95 114.11 2a1d s ARG 75 Ca 0.00 1.58 -0.30 0.00 -1.72 0.00 0.00 55.73 55.30 2a1d s ARG 75 Cb 0.00 -1.86 -0.09 0.00 -0.45 0.00 0.00 34.95 32.55 2a1d s ARG 75 CO 0.00 -1.76 1.07 -0.47 -0.68 0.00 0.00 175.30 173.46 2a1d s TYR 76 N -2.24 3.65 -0.77 -0.53 5.04 -1.26 -4.85 117.35 116.38 2a1d s TYR 76 Ca 0.70 1.71 0.03 0.00 -2.44 0.00 0.00 57.07 57.07 2a1d s TYR 76 Cb -0.25 -3.23 0.23 0.00 0.35 0.00 0.00 41.96 39.06 2a1d s TYR 76 CO 0.47 -0.40 0.80 0.39 -1.34 0.00 0.00 175.55 175.47 2a1d n GLU 77 N 1.55 2.67 -0.33 4.97 1.02 -1.26 -4.93 120.64 124.33 2a1d n GLU 77 Ca -0.00 -4.58 0.20 0.00 -0.02 0.00 0.00 57.16 52.76 2a1d n GLU 77 Cb 0.45 -2.33 0.42 0.00 -0.02 0.00 0.00 31.44 29.96 2a1d n GLU 77 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2a1d h ARG 77 N 5.01 0.36 -0.75 3.49 0.11 -1.95 1.16 114.38 121.81 2a1d h ARG 77 Ca 0.18 -0.02 0.08 0.00 0.10 0.00 0.00 59.98 60.32 2a1d h ARG 77 Cb 0.71 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 31.64 2a1d h ARG 77 CO 0.88 0.24 0.42 0.87 0.10 0.00 0.00 179.97 182.48 2a1d h LYS 78 N 0.37 0.70 0.00 0.08 1.57 -2.01 -3.37 116.57 113.92 2a1d h LYS 78 Ca 0.68 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.41 2a1d h LYS 78 Cb 1.46 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2a1d h LYS 78 CO -0.58 0.47 -1.04 1.33 -0.57 0.00 0.00 179.45 179.06 2a1d n VAL 79 N -4.78 0.04 -1.92 0.50 0.24 -0.45 -5.06 118.33 106.91 2a1d n VAL 79 Ca 0.11 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 2a1d n VAL 79 Cb 0.24 -0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 2a1d n VAL 79 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2a1d s GLU 80 N -2.01 4.20 -0.11 7.34 2.12 0.39 -4.77 118.70 125.86 2a1d s GLU 80 Ca -0.00 2.36 0.03 0.00 0.36 0.00 0.00 54.97 57.72 2a1d s GLU 80 Cb 0.00 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 2a1d s GLU 80 CO 0.02 -0.68 -0.22 0.15 -0.54 0.00 0.00 175.26 173.98 2a1d s LYS 81 N 1.97 3.09 -0.19 4.30 -0.14 -1.02 -4.70 119.74 123.06 2a1d s LYS 81 Ca 0.73 -0.85 -0.06 0.00 -1.36 0.00 0.00 55.97 54.43 2a1d s LYS 81 Cb -0.42 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 2a1d s LYS 81 CO 0.32 0.16 0.02 0.42 -0.76 0.00 0.00 175.35 175.51 2a1d s ILE 82 N 0.41 4.30 0.02 2.17 1.09 -1.26 -2.16 121.20 125.76 2a1d s ILE 82 Ca -0.16 -0.20 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 2a1d s ILE 82 Cb -0.17 -2.94 -0.01 0.00 -1.06 0.00 0.00 42.46 38.27 2a1d s ILE 82 CO 0.07 0.44 -0.09 -0.55 -0.10 0.00 0.00 174.94 174.71 2a1d s SER 83 N 0.72 1.04 0.15 3.58 0.15 -0.93 -5.04 113.70 113.37 2a1d s SER 83 Ca 0.01 -0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 2a1d s SER 83 Cb -0.14 -0.07 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 2a1d s SER 83 CO 0.02 0.01 0.54 -0.04 1.20 0.00 0.00 173.24 174.98 2a1d s MET 84 N -0.71 3.96 -0.01 5.44 -1.94 -1.26 -2.36 119.30 122.42 2a1d s MET 84 Ca -0.00 0.46 -0.27 0.00 -1.71 0.00 0.00 55.69 54.17 2a1d s MET 84 Cb -0.06 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 2a1d s MET 84 CO 0.00 0.47 0.86 -0.51 -0.01 0.00 0.00 175.02 175.83 2a1d s LEU 85 N -2.03 4.37 -0.01 -0.03 1.43 -1.26 0.78 118.68 121.93 2a1d s LEU 85 Ca 0.38 1.48 -0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2a1d s LEU 85 Cb -0.15 -3.37 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 2a1d s LEU 85 CO 0.19 -0.17 -0.00 -0.78 0.23 0.00 0.00 176.35 175.82 2a1d h ASP 86 N 6.61 0.00 -3.65 2.29 3.58 -0.40 -3.43 116.42 121.41 2a1d h ASP 86 Ca -0.41 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.51 2a1d h ASP 86 Cb 1.21 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.08 2a1d h ASP 86 CO 0.75 0.07 -0.79 -0.75 -2.88 0.00 0.00 179.24 175.63 2a1d s LYS 87 N -1.08 1.25 -0.04 0.28 2.20 -1.21 -4.91 119.74 116.23 2a1d s LYS 87 Ca -0.00 -1.37 0.05 0.00 -0.36 0.00 0.00 55.97 54.29 2a1d s LYS 87 Cb 0.00 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 34.96 2a1d s LYS 87 CO 0.01 0.28 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.59 2a1d s ILE 88 N -1.90 2.66 -0.31 5.43 2.07 -1.26 -2.28 121.20 125.61 2a1d s ILE 88 Ca 0.14 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.53 2a1d s ILE 88 Cb -0.06 -2.00 0.09 0.00 0.13 0.00 0.00 42.46 40.61 2a1d s ILE 88 CO 0.06 0.58 0.03 -0.31 -1.91 0.00 0.00 174.94 173.40 2a1d s TYR 89 N -0.61 2.89 0.17 3.50 4.12 0.15 -4.99 117.35 122.59 2a1d s TYR 89 Ca 0.09 -2.36 0.03 0.00 0.02 0.00 0.00 57.07 54.85 2a1d s TYR 89 Cb -0.11 -2.26 -0.03 0.00 -1.52 0.00 0.00 41.96 38.04 2a1d s TYR 89 CO 0.00 -0.89 0.28 0.42 0.02 0.00 0.00 175.55 175.39 2a1d s ILE 90 N 1.21 5.22 0.18 2.71 1.09 -1.26 0.29 121.20 130.64 2a1d s ILE 90 Ca 0.06 -0.79 -0.30 0.00 -1.10 0.00 0.00 60.65 58.52 2a1d s ILE 90 Cb -0.19 -3.72 -0.08 0.00 -1.06 0.00 0.00 42.46 37.42 2a1d s ILE 90 CO -0.12 -0.14 1.08 -2.28 -0.10 0.00 0.00 174.94 173.38 2a1d s HIS 91 N -1.79 3.63 0.00 3.97 2.46 -1.20 -4.97 115.29 117.40 2a1d s HIS 91 Ca 0.34 1.64 0.00 0.00 0.47 0.00 0.00 55.06 57.51 2a1d s HIS 91 Cb -0.11 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 29.10 2a1d s HIS 91 CO 0.28 -0.47 1.00 -2.30 -2.47 0.00 0.00 174.74 170.78 2a1d n PRO 92 N 2.25 0.00 -0.03 2.88 -0.02 -1.26 -2.56 135.00 136.26 2a1d n PRO 92 Ca 0.02 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2a1d n PRO 92 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2a1d n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2a1d n ARG 93 N -2.14 0.27 -2.73 -0.52 1.74 -1.26 -4.76 116.66 107.26 2a1d n ARG 93 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2a1d n ARG 93 Cb 0.00 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2a1d n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2a1d s TYR 94 N 0.88 3.32 -0.40 -1.55 5.04 -1.06 -4.46 117.35 119.11 2a1d s TYR 94 Ca 0.00 1.34 -0.07 0.00 -2.44 0.00 0.00 57.07 55.90 2a1d s TYR 94 Cb 0.00 -3.23 0.08 0.00 0.35 0.00 0.00 41.96 39.16 2a1d s TYR 94 CO 0.00 -0.47 0.21 1.21 -1.34 0.00 0.00 175.55 175.16 2a1d s ASN 95 N 1.28 5.46 -0.20 4.32 2.47 -0.33 -4.90 114.94 123.03 2a1d s ASN 95 Ca 0.41 -1.59 0.09 0.00 0.42 0.00 0.00 52.86 52.19 2a1d s ASN 95 Cb -0.15 -1.92 -0.19 0.00 -1.45 0.00 0.00 41.25 37.55 2a1d s ASN 95 CO 0.07 -0.50 -0.06 -2.67 -3.72 0.00 0.00 177.10 170.21 2a1d n TRP 96 N 4.81 0.00 -0.40 0.43 4.27 -1.26 0.20 117.44 125.48 2a1d n TRP 96 Ca -0.09 0.00 0.33 0.00 -3.89 0.00 0.00 57.50 53.85 2a1d n TRP 96 Cb 0.43 -0.89 0.62 0.00 -1.36 0.00 0.00 31.31 30.10 2a1d n TRP 96 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 2a1d h LYS 97 N 0.00 0.17 0.00 -2.67 1.57 -2.01 -3.33 116.57 110.30 2a1d h LYS 97 Ca -0.50 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2a1d h LYS 97 Cb 1.96 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.23 2a1d h LYS 97 CO -0.02 0.11 -0.59 -1.91 -0.57 0.00 0.00 179.45 176.47 2a1d n GLU 97 N -4.61 0.11 -0.45 3.15 2.13 -1.26 -5.03 120.64 114.68 2a1d n GLU 97 Ca 0.33 0.04 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2a1d n GLU 97 Cb 1.25 -0.69 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2a1d n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2a1d n ASN 98 N -3.53 0.00 -3.26 4.31 6.94 -1.22 -4.97 115.26 113.53 2a1d n ASN 98 Ca -0.06 -1.62 -0.15 0.00 -0.02 0.00 0.00 54.58 52.73 2a1d n ASN 98 Cb 0.27 -0.12 0.07 0.00 -2.36 0.00 0.00 39.78 37.64 2a1d n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2a1d n LEU 99 N 0.00 -5.55 -4.87 -4.53 4.77 0.53 -4.98 117.00 102.38 2a1d n LEU 99 Ca 0.00 -0.70 -0.35 0.00 -0.03 0.00 0.00 56.01 54.93 2a1d n LEU 99 Cb 0.62 -3.21 -0.05 0.00 -2.33 0.00 0.00 43.42 38.45 2a1d n LEU 99 CO 0.00 0.12 0.06 -0.62 -1.33 0.00 0.00 177.39 175.62 2a1d s ASP 100 N -3.45 6.62 -1.46 -1.43 2.15 -0.54 -4.02 116.67 114.54 2a1d s ASP 100 Ca 0.43 0.76 -0.10 0.00 0.43 0.00 0.00 52.55 54.07 2a1d s ASP 100 Cb -0.06 -2.17 0.05 0.00 -0.30 0.00 0.00 42.92 40.45 2a1d s ASP 100 CO 0.74 0.17 0.88 0.54 -0.17 0.00 0.00 175.17 177.33 2a1d n ARG 101 N 0.89 -5.66 -2.12 4.34 5.12 -1.26 -1.19 116.66 116.78 2a1d n ARG 101 Ca -0.08 0.70 -0.37 0.00 -1.93 0.00 0.00 57.85 56.17 2a1d n ARG 101 Cb 0.52 -5.60 -0.03 0.00 -1.16 0.00 0.00 32.46 26.19 2a1d n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2a1d n ASP 102 N -2.73 3.80 -3.76 0.55 2.03 -1.26 -4.57 116.55 110.62 2a1d n ASP 102 Ca -0.01 -2.80 -0.13 0.00 0.52 0.00 0.00 54.79 52.38 2a1d n ASP 102 Cb 0.56 -1.66 -0.09 0.00 -0.72 0.00 0.00 41.12 39.21 2a1d n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a1d s ILE 103 N 6.91 0.05 -0.07 5.18 2.07 -1.26 -3.56 121.20 130.52 2a1d s ILE 103 Ca 0.59 -0.43 -0.13 0.00 -1.41 0.00 0.00 60.65 59.27 2a1d s ILE 103 Cb 0.04 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.06 2a1d s ILE 103 CO 0.09 -0.24 0.32 0.00 -1.91 0.00 0.00 174.94 173.20 2a1d s ALA 104 N -1.19 -0.80 -0.10 1.50 0.00 0.41 -3.21 121.76 118.37 2a1d s ALA 104 Ca -0.12 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2a1d s ALA 104 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2a1d s ALA 104 CO 0.04 -0.21 -0.03 -0.51 0.00 0.00 0.00 175.76 175.04 2a1d s LEU 105 N -0.61 3.34 -0.11 0.00 1.02 0.14 -0.41 118.68 122.05 2a1d s LEU 105 Ca -0.07 -0.00 0.02 0.00 0.02 0.00 0.00 54.13 54.10 2a1d s LEU 105 Cb -0.04 -1.76 0.01 0.00 0.02 0.00 0.00 46.19 44.42 2a1d s LEU 105 CO 0.02 0.30 -0.19 -0.76 0.02 0.00 0.00 176.35 175.75 2a1d s LEU 106 N -0.44 1.92 -0.46 1.79 1.43 0.65 0.34 118.68 123.91 2a1d s LEU 106 Ca 0.07 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2a1d s LEU 106 Cb -0.12 -1.25 0.09 0.00 0.03 0.00 0.00 46.19 44.94 2a1d s LEU 106 CO 0.02 0.07 0.35 -0.75 0.23 0.00 0.00 176.35 176.27 2a1d s LYS 107 N 0.78 2.72 0.14 1.70 2.36 -0.97 -1.23 119.74 125.24 2a1d s LYS 107 Ca -0.10 -1.54 -0.35 0.00 -2.55 0.00 0.00 55.97 51.43 2a1d s LYS 107 Cb -0.16 -3.98 -0.15 0.00 -1.05 0.00 0.00 37.83 32.50 2a1d s LYS 107 CO 0.01 -1.08 1.43 1.28 1.55 0.00 0.00 175.35 178.54 2a1d n LEU 108 N 5.03 2.39 -0.18 5.43 4.32 -0.34 0.29 117.00 133.95 2a1d n LEU 108 Ca -0.11 1.11 0.24 0.00 -0.02 0.00 0.00 56.01 57.23 2a1d n LEU 108 Cb 0.42 -1.32 0.64 0.00 -1.62 0.00 0.00 43.42 41.54 2a1d n LEU 108 CO 0.44 -0.69 1.24 0.50 -1.22 0.00 0.00 177.39 177.66 2a1d h LYS 109 N 5.02 0.16 -3.40 3.23 1.63 0.10 -3.40 116.57 119.91 2a1d h LYS 109 Ca -0.46 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.09 2a1d h LYS 109 Cb 1.30 -0.04 -0.30 0.00 -0.60 0.00 0.00 32.23 32.59 2a1d h LYS 109 CO 0.82 0.10 -0.63 -0.98 -3.45 0.00 0.00 179.45 175.32 2a1d s ARG 110 N -5.16 0.08 0.23 1.90 1.70 -1.26 -4.92 118.95 111.51 2a1d s ARG 110 Ca -0.06 0.25 -0.31 0.00 -0.47 0.00 0.00 55.73 55.14 2a1d s ARG 110 Cb 0.22 -0.10 -0.11 0.00 -0.57 0.00 0.00 34.95 34.38 2a1d s ARG 110 CO 0.77 -0.11 1.59 -1.25 -1.08 0.00 0.00 175.30 175.22 2a1d s PRO 111 N 0.73 4.17 0.33 3.89 0.04 -1.26 -4.93 135.00 137.98 2a1d s PRO 111 Ca -0.06 2.48 -0.05 0.00 0.04 0.00 0.00 61.00 63.41 2a1d s PRO 111 Cb -0.08 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2a1d s PRO 111 CO -0.03 -0.62 0.61 0.96 0.04 0.00 0.00 177.00 177.97 2a1d s ILE 112 N 0.59 4.98 -0.24 0.56 -4.36 -0.68 -5.03 121.20 117.02 2a1d s ILE 112 Ca 0.67 0.12 -0.21 0.00 -0.26 0.00 0.00 60.65 60.97 2a1d s ILE 112 Cb -0.46 -3.76 -0.02 0.00 1.25 0.00 0.00 42.46 39.47 2a1d s ILE 112 CO 0.39 -0.43 0.64 -1.83 0.24 0.00 0.00 174.94 173.94 2a1d s GLU 113 N -3.80 4.14 0.05 0.37 -1.05 -1.26 -4.89 118.70 112.25 2a1d s GLU 113 Ca 0.45 0.58 -0.31 0.00 -0.15 0.00 0.00 54.97 55.55 2a1d s GLU 113 Cb -0.10 -3.63 -0.06 0.00 -0.44 0.00 0.00 34.13 29.90 2a1d s GLU 113 CO 0.32 -0.38 1.22 -0.51 0.95 0.00 0.00 175.26 176.87 2a1d s LEU 114 N 2.39 4.36 0.00 1.83 1.43 -1.26 -4.92 118.68 122.51 2a1d s LEU 114 Ca 0.27 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 2a1d s LEU 114 Cb -0.16 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.49 2a1d s LEU 114 CO 0.09 -0.51 0.04 -1.54 0.23 0.00 0.00 176.35 174.66 2a1d n SER 115 N 4.12 1.81 0.00 2.29 3.41 -1.25 -4.93 113.62 119.06 2a1d n SER 115 Ca 0.10 -1.42 0.03 0.00 -0.26 0.00 0.00 58.87 57.31 2a1d n SER 115 Cb 0.46 0.03 0.16 0.00 -0.26 0.00 0.00 64.21 64.61 2a1d n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2a1d n ASP 116 N -1.53 0.00 0.00 4.04 8.00 -1.26 -2.65 116.55 123.15 2a1d n ASP 116 Ca -0.02 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2a1d n ASP 116 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2a1d n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2a1d n TYR 117 N -0.67 0.00 -3.24 1.24 4.01 -1.26 -4.86 117.16 112.38 2a1d n TYR 117 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 2a1d n TYR 117 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 2a1d n TYR 117 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2a1d n ILE 118 N -0.49 1.63 -4.23 -0.72 -0.00 -1.08 -3.90 119.36 110.57 2a1d n ILE 118 Ca 0.00 -4.99 -0.33 0.00 -0.00 0.00 0.00 62.75 57.44 2a1d n ILE 118 Cb 0.01 -1.73 -0.08 0.00 -0.00 0.00 0.00 39.64 37.84 2a1d n ILE 118 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 2a1d s HIS 119 N -2.43 3.12 0.76 1.39 2.46 -1.26 -3.95 115.29 115.38 2a1d s HIS 119 Ca 0.41 0.11 -0.12 0.00 0.47 0.00 0.00 55.06 55.93 2a1d s HIS 119 Cb 0.20 -1.68 0.05 0.00 -0.13 0.00 0.00 32.58 31.02 2a1d s HIS 119 CO -0.07 0.48 1.13 -1.25 -2.47 0.00 0.00 174.74 172.57 2a1d s PRO 120 N -1.64 2.42 0.36 2.88 0.04 -1.26 -0.28 135.00 137.52 2a1d s PRO 120 Ca 0.21 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.64 2a1d s PRO 120 Cb -0.12 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2a1d s PRO 120 CO 0.11 -1.31 0.24 0.54 0.04 0.00 0.00 177.00 176.62 2a1d s VAL 121 N -3.44 3.06 0.19 -0.36 0.11 -0.53 -4.77 120.40 114.66 2a1d s VAL 121 Ca 0.60 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 2a1d s VAL 121 Cb -0.11 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2a1d s VAL 121 CO 0.51 -0.13 0.34 0.00 -3.33 0.00 0.00 175.10 172.48 2a1d s LEU 123 N -3.46 4.34 0.46 0.00 1.43 -1.26 -0.52 118.68 119.66 2a1d s LEU 123 Ca 0.36 0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 2a1d s LEU 123 Cb -0.11 -2.24 -0.13 0.00 0.03 0.00 0.00 46.19 43.74 2a1d s LEU 123 CO 0.29 0.28 -0.13 -0.81 0.23 0.00 0.00 176.35 176.20 2a1d n PRO 124 N 2.61 0.00 -4.20 1.29 -0.04 -1.26 -4.88 135.00 128.52 2a1d n PRO 124 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2a1d n PRO 124 Cb 0.53 -0.87 -0.08 0.00 -0.04 0.00 0.00 33.50 33.04 2a1d n PRO 124 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2a1d s ASP 125 N -0.87 5.25 0.57 3.54 2.15 -1.26 -4.94 116.67 121.10 2a1d s ASP 125 Ca 0.49 -0.01 0.33 0.00 0.43 0.00 0.00 52.55 53.79 2a1d s ASP 125 Cb -0.42 -1.38 1.42 0.00 -0.30 0.00 0.00 42.92 42.24 2a1d s ASP 125 CO 0.58 0.25 1.74 0.07 -0.17 0.00 0.00 175.17 177.65 2a1d h LYS 126 N 4.04 0.00 0.00 4.34 5.09 -1.99 -1.39 116.57 126.66 2a1d h LYS 126 Ca -0.48 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 59.97 2a1d h LYS 126 Cb 1.17 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.45 2a1d h LYS 126 CO 0.60 0.00 -2.08 0.94 -2.09 0.00 0.00 179.45 176.82 2a1d n GLN 127 N -3.84 0.50 -0.19 0.07 -0.06 -1.26 -4.29 117.38 108.31 2a1d n GLN 127 Ca 0.19 0.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 2a1d n GLN 127 Cb 1.11 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.91 2a1d n GLN 127 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2a1d n THR 128 N -3.04 0.77 0.00 1.69 -1.04 -0.52 -0.85 114.28 111.28 2a1d n THR 128 Ca -0.33 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 2a1d n THR 128 Cb 0.86 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 2a1d n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a1d n ALA 129 N 1.75 0.00 -0.39 2.41 0.00 -1.26 -1.79 120.51 121.22 2a1d n ALA 129 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 2a1d n ALA 129 Cb 0.20 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.25 2a1d n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2a1d h LYS 129 N 0.00 0.13 0.00 0.00 1.79 -1.36 -3.17 116.57 113.96 2a1d h LYS 129 Ca 0.00 -0.01 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 2a1d h LYS 129 Cb 0.00 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.56 2a1d h LYS 129 CO 0.00 0.08 -2.22 1.28 -1.08 0.00 0.00 179.45 177.52 2a1d n LEU 129 N -4.86 2.94 -4.10 2.94 4.77 -0.74 -4.80 117.00 113.15 2a1d n LEU 129 Ca 0.36 -0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 2a1d n LEU 129 Cb 1.29 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2a1d n LEU 129 CO 0.15 0.85 1.96 0.18 -1.33 0.00 0.00 177.39 179.20 2a1d n LEU 130 N -3.15 4.19 -4.02 2.23 4.77 -1.20 -4.83 117.00 114.99 2a1d n LEU 130 Ca -0.38 -3.29 -0.23 0.00 -0.03 0.00 0.00 56.01 52.09 2a1d n LEU 130 Cb 0.90 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.35 2a1d n LEU 130 CO 0.21 -0.62 -0.46 -1.00 -1.33 0.00 0.00 177.39 174.19 2a1d s HIS 131 N 6.77 1.23 0.00 -1.77 3.76 -1.26 -4.88 115.29 119.13 2a1d s HIS 131 Ca 0.59 -0.37 -0.37 0.00 -0.15 0.00 0.00 55.06 54.76 2a1d s HIS 131 Cb 0.08 -0.88 -0.16 0.00 1.11 0.00 0.00 32.58 32.72 2a1d s HIS 131 CO 0.09 -0.17 1.46 0.00 -0.85 0.00 0.00 174.74 175.27 2a1d n ALA 132 N 3.49 -0.63 0.00 -1.40 0.00 -1.26 -1.60 120.51 119.10 2a1d n ALA 132 Ca -0.20 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2a1d n ALA 132 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2a1d n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1d n GLY 133 N 2.99 3.15 3.77 0.00 0.00 -0.52 -4.96 105.19 109.61 2a1d n GLY 133 Ca 0.20 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2a1d n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1d s PHE 134 N 0.00 2.88 -0.13 1.61 0.08 -0.63 -4.53 117.98 117.26 2a1d s PHE 134 Ca 0.00 1.47 -0.09 0.00 0.12 0.00 0.00 56.93 58.43 2a1d s PHE 134 Cb 0.00 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2a1d s PHE 134 CO 0.00 -1.81 0.17 0.15 -0.10 0.00 0.00 175.22 173.64 2a1d s LYS 135 N -2.35 3.70 0.11 0.44 1.02 -1.26 -0.25 119.74 121.14 2a1d s LYS 135 Ca 0.59 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 56.50 2a1d s LYS 135 Cb -0.35 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 2a1d s LYS 135 CO 0.44 0.63 0.05 0.41 -0.92 0.00 0.00 175.35 175.96 2a1d n GLY 136 N 2.40 3.33 3.02 -3.33 0.00 -0.19 -4.89 105.19 105.53 2a1d n GLY 136 Ca -0.18 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.39 2a1d n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a1d s ARG 137 N -2.42 1.65 -0.07 1.61 3.52 0.52 -2.10 118.95 121.67 2a1d s ARG 137 Ca 0.04 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 2a1d s ARG 137 Cb -0.00 -1.37 -0.01 0.00 -1.56 0.00 0.00 34.95 32.00 2a1d s ARG 137 CO 0.03 0.03 -0.22 0.08 -0.81 0.00 0.00 175.30 174.41 2a1d s VAL 138 N 0.64 2.36 0.03 7.11 1.01 0.97 -0.43 120.40 132.09 2a1d s VAL 138 Ca -0.14 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2a1d s VAL 138 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2a1d s VAL 138 CO 0.03 0.57 -0.06 0.42 0.00 0.00 0.00 175.10 176.06 2a1d s THR 139 N -0.15 0.38 0.00 3.92 -4.23 -1.23 -0.60 115.64 113.73 2a1d s THR 139 Ca -0.03 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2a1d s THR 139 Cb -0.14 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.25 2a1d s THR 139 CO 0.04 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2a1d n GLY 140 N 1.75 -0.30 1.96 3.99 0.00 -0.93 -4.40 105.19 107.26 2a1d n GLY 140 Ca -0.21 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2a1d n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a1d n TRP 141 N -0.43 2.59 -1.92 1.61 8.01 -1.26 -2.18 117.44 123.87 2a1d n TRP 141 Ca 0.00 -2.35 -0.30 0.00 -1.31 0.00 0.00 57.50 53.54 2a1d n TRP 141 Cb 0.00 -0.69 0.21 0.00 -2.01 0.00 0.00 31.31 28.82 2a1d n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2a1d s GLY 142 N -2.90 1.82 -0.07 6.99 0.00 -1.14 -4.59 107.32 107.43 2a1d s GLY 142 Ca 0.54 -1.31 -0.38 0.00 0.00 0.00 0.00 44.72 43.56 2a1d s GLY 142 CO 0.02 -0.48 1.50 0.70 0.00 0.00 0.00 173.10 174.84 2a1d n ASN 143 N -3.89 1.91 0.31 1.64 5.03 -0.55 -2.67 115.26 117.03 2a1d n ASN 143 Ca 0.17 1.10 0.19 0.00 0.87 0.00 0.00 54.58 56.91 2a1d n ASN 143 Cb 0.59 -1.16 1.04 0.00 -1.02 0.00 0.00 39.78 39.23 2a1d n ASN 143 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2a1d h ARG 144 N 5.61 0.00 -2.20 3.52 3.08 -0.23 -3.08 114.38 121.09 2a1d h ARG 144 Ca -0.47 0.00 0.25 0.00 0.07 0.00 0.00 59.98 59.82 2a1d h ARG 144 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.32 2a1d h ARG 144 CO 0.85 0.00 0.71 0.50 -1.07 0.00 0.00 179.97 180.96 2a1d s ARG 145 N -4.39 0.87 0.07 0.04 3.52 -1.26 -4.14 118.95 113.65 2a1d s ARG 145 Ca -0.05 -0.54 -0.21 0.00 -0.13 0.00 0.00 55.73 54.80 2a1d s ARG 145 Cb 0.14 0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 33.72 2a1d s ARG 145 CO 0.47 -0.40 0.64 -2.00 -0.81 0.00 0.00 175.30 173.19 2a1d s GLU 146 N -2.30 4.33 -0.06 5.12 2.12 -1.26 -5.01 118.70 121.65 2a1d s GLU 146 Ca 0.22 0.85 0.03 0.00 0.36 0.00 0.00 54.97 56.43 2a1d s GLU 146 Cb -0.01 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2a1d s GLU 146 CO 0.02 0.52 -0.14 0.95 -0.54 0.00 0.00 175.26 176.07 2a1d s THR 147 N -0.78 1.20 -0.83 -1.70 -4.23 -1.26 -5.13 115.64 102.90 2a1d s THR 147 Ca 0.32 -0.55 -0.24 0.00 -1.18 0.00 0.00 61.69 60.04 2a1d s THR 147 Cb -0.20 -1.07 -0.18 0.00 1.34 0.00 0.00 72.50 72.39 2a1d s THR 147 CO 0.20 0.36 1.90 -2.67 -0.54 0.00 0.00 174.62 173.88 2a1d n TRP 148 N 3.55 1.71 -1.52 3.99 4.27 -1.26 -4.98 117.44 123.21 2a1d n TRP 148 Ca -0.21 -1.23 0.00 0.00 -3.89 0.00 0.00 57.50 52.18 2a1d n TRP 148 Cb 0.52 -2.00 0.00 0.00 -1.36 0.00 0.00 31.31 28.48 2a1d n TRP 148 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 2a1d n THR 149 N 7.26 0.00 -2.17 -1.67 5.66 -1.26 -5.07 114.28 117.03 2a1d n THR 149 Ca 0.46 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.26 2a1d n THR 149 Cb 0.44 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 2a1d n THR 149 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2a1d n SER 149 N 2.08 -5.64 -3.67 1.09 7.64 -1.26 -4.94 113.62 108.92 2a1d n SER 149 Ca 0.00 0.14 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 2a1d n SER 149 Cb 0.00 -4.78 -0.08 0.00 -1.01 0.00 0.00 64.21 58.34 2a1d n SER 149 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2a1d s VAL 149 N -2.92 -0.01 -0.01 0.44 1.01 -1.26 -5.11 120.40 112.55 2a1d s VAL 149 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2a1d s VAL 149 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2a1d s VAL 149 CO 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 175.10 175.09 2a1d n ALA 149 N 3.51 1.00 -0.62 5.51 0.00 -1.26 -4.91 120.51 123.73 2a1d n ALA 149 Ca -0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 2a1d n ALA 149 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 2a1d n ALA 149 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2a1d n GLU 149 N -2.64 0.00 -1.66 0.00 0.00 -1.26 -4.47 120.64 110.62 2a1d n GLU 149 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.17 2a1d n GLU 149 Cb 0.03 -0.58 0.02 0.00 0.00 0.00 0.00 31.44 30.90 2a1d n GLU 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2a1d n VAL 150 N 2.70 0.18 -3.25 3.84 0.31 -1.26 -5.11 118.33 115.74 2a1d n VAL 150 Ca 0.05 -1.16 -0.21 0.00 -0.01 0.00 0.00 64.34 63.02 2a1d n VAL 150 Cb 0.27 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 2a1d n VAL 150 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2a1d s GLN 151 N -0.53 3.08 0.73 5.55 1.11 -1.26 0.45 119.66 128.79 2a1d s GLN 151 Ca 0.29 -0.80 -0.12 0.00 0.01 0.00 0.00 55.36 54.74 2a1d s GLN 151 Cb 0.34 -2.71 0.18 0.00 -1.01 0.00 0.00 33.01 29.81 2a1d s GLN 151 CO -0.13 -0.10 0.75 -0.35 0.01 0.00 0.00 175.29 175.47 2a1d n PRO 152 N -1.84 -1.84 -0.12 2.91 -0.04 -1.26 -4.83 135.00 127.98 2a1d n PRO 152 Ca 0.01 -1.18 -0.15 0.00 -0.04 0.00 0.00 63.50 62.13 2a1d n PRO 152 Cb 0.58 -0.98 -0.12 0.00 -0.04 0.00 0.00 33.50 32.93 2a1d n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2a1d n SER 153 N -3.97 1.73 -4.89 3.54 2.88 -1.26 -4.87 113.62 106.78 2a1d n SER 153 Ca 0.10 -0.10 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2a1d n SER 153 Cb 0.37 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 2a1d n SER 153 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2a1d s VAL 154 N -2.48 2.63 0.34 2.46 -7.23 -1.25 -0.29 120.40 114.59 2a1d s VAL 154 Ca -0.28 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 2a1d s VAL 154 Cb 0.08 -2.95 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 2a1d s VAL 154 CO 0.61 0.00 1.26 -0.22 -0.31 0.00 0.00 175.10 176.44 2a1d s LEU 155 N -4.16 4.39 0.11 1.32 2.96 0.97 -4.86 118.68 119.42 2a1d s LEU 155 Ca 0.48 2.59 0.04 0.00 -0.22 0.00 0.00 54.13 57.02 2a1d s LEU 155 Cb -0.04 -3.72 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2a1d s LEU 155 CO 0.28 -0.54 0.09 -1.10 -1.32 0.00 0.00 176.35 173.76 2a1d s GLN 156 N -1.87 2.86 -0.04 1.98 -1.52 -0.92 0.31 119.66 120.47 2a1d s GLN 156 Ca 0.50 -0.76 -0.01 0.00 -1.95 0.00 0.00 55.36 53.14 2a1d s GLN 156 Cb -0.37 -2.69 0.03 0.00 -0.22 0.00 0.00 33.01 29.76 2a1d s GLN 156 CO 0.49 0.54 0.07 0.54 -0.25 0.00 0.00 175.29 176.68 2a1d s VAL 157 N -1.51 -0.05 -0.02 1.09 0.11 -0.45 -2.19 120.40 117.38 2a1d s VAL 157 Ca 0.30 0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2a1d s VAL 157 Cb -0.11 -0.13 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2a1d s VAL 157 CO 0.22 0.08 0.04 0.54 -3.33 0.00 0.00 175.10 172.65 2a1d s VAL 158 N 1.03 -0.03 -0.35 2.04 0.11 0.23 -3.26 120.40 120.16 2a1d s VAL 158 Ca -0.08 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 2a1d s VAL 158 Cb -0.12 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2a1d s VAL 158 CO -0.04 0.05 0.21 0.20 -3.33 0.00 0.00 175.10 172.19 2a1d s ASN 159 N 0.59 5.78 -0.11 3.54 0.01 -1.26 -0.02 114.94 123.46 2a1d s ASN 159 Ca -0.05 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.36 2a1d s ASN 159 Cb -0.07 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 2a1d s ASN 159 CO -0.02 -0.31 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.38 2a1d s LEU 160 N 1.62 2.79 0.48 0.60 1.43 -0.89 -4.83 118.68 119.87 2a1d s LEU 160 Ca 0.04 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 2a1d s LEU 160 Cb -0.18 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2a1d s LEU 160 CO 0.08 0.21 1.03 -2.16 0.23 0.00 0.00 176.35 175.74 2a1d s PRO 161 N 0.07 3.86 0.21 1.29 0.04 -1.26 -1.02 135.00 138.18 2a1d s PRO 161 Ca -0.05 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2a1d s PRO 161 Cb -0.14 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2a1d s PRO 161 CO 0.04 -0.38 1.01 -0.51 0.04 0.00 0.00 177.00 177.21 2a1d s LEU 162 N -3.43 4.57 0.05 -3.56 1.43 0.65 0.47 118.68 118.86 2a1d s LEU 162 Ca 0.66 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 2a1d s LEU 162 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2a1d s LEU 162 CO 0.19 -0.03 0.11 -0.69 0.23 0.00 0.00 176.35 176.17 2a1d s VAL 163 N -0.74 4.81 0.16 -1.59 1.01 -0.71 -1.44 120.40 121.90 2a1d s VAL 163 Ca 0.45 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 2a1d s VAL 163 Cb -0.27 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 2a1d s VAL 163 CO 0.34 0.18 0.95 -1.83 0.00 0.00 0.00 175.10 174.74 2a1d s GLU 164 N -2.27 4.75 0.07 2.72 1.03 -1.26 -4.65 118.70 119.09 2a1d s GLU 164 Ca 0.29 1.45 -0.07 0.00 0.03 0.00 0.00 54.97 56.68 2a1d s GLU 164 Cb -0.12 -3.34 0.06 0.00 -0.80 0.00 0.00 34.13 29.93 2a1d s GLU 164 CO 0.22 0.34 0.53 -2.13 -1.33 0.00 0.00 175.26 172.89 2a1d n ARG 165 N 2.28 -0.10 -0.07 -4.83 3.00 -1.26 -1.64 116.66 114.05 2a1d n ARG 165 Ca 0.00 0.53 -0.08 0.00 -0.00 0.00 0.00 57.85 58.30 2a1d n ARG 165 Cb 0.48 -0.78 -0.06 0.00 0.00 0.00 0.00 32.46 32.11 2a1d n ARG 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2a1d h PRO 166 N 0.00 -0.23 -0.10 -0.14 0.11 -2.00 -1.89 132.00 127.75 2a1d h PRO 166 Ca 0.10 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.25 2a1d h PRO 166 Cb 0.19 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.30 2a1d h PRO 166 CO -0.34 -0.16 -0.47 0.28 -0.21 0.00 0.00 178.00 177.11 2a1d h VAL 167 N -0.24 0.00 -0.91 3.15 2.07 -1.71 0.13 116.25 118.73 2a1d h VAL 167 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 2a1d h VAL 167 Cb 0.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.00 2a1d h VAL 167 CO -0.32 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 176.73 2a1d h LYS 169 N 0.00 0.65 -0.10 0.00 3.64 -0.90 -3.07 116.57 116.78 2a1d h LYS 169 Ca 0.15 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2a1d h LYS 169 Cb 0.37 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2a1d h LYS 169 CO -0.86 0.43 -0.05 0.00 -2.27 0.00 0.00 179.45 176.71 2a1d h ALA 170 N 1.27 0.04 0.00 5.00 0.00 0.22 -2.82 119.26 122.97 2a1d h ALA 170 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2a1d h ALA 170 Cb 0.05 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2a1d h ALA 170 CO -0.12 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 2a1d n SER 171 N -5.18 0.23 -3.59 0.00 3.41 0.80 -4.74 113.62 104.55 2a1d n SER 171 Ca -0.04 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 57.91 2a1d n SER 171 Cb 0.11 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2a1d n SER 171 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2a1d s THR 172 N -1.15 0.05 -1.16 6.66 2.01 -1.07 -4.70 115.64 116.29 2a1d s THR 172 Ca 0.00 -0.44 0.13 0.00 0.31 0.00 0.00 61.69 61.68 2a1d s THR 172 Cb 0.00 -1.11 0.32 0.00 0.01 0.00 0.00 72.50 71.72 2a1d s THR 172 CO 0.00 -0.24 1.24 0.54 -0.69 0.00 0.00 174.62 175.47 2a1d n ARG 173 N -0.17 2.56 -3.88 4.92 5.12 -1.26 -4.91 116.66 119.03 2a1d n ARG 173 Ca -0.17 -2.02 -0.35 0.00 -1.93 0.00 0.00 57.85 53.39 2a1d n ARG 173 Cb 0.63 -1.30 -0.08 0.00 -1.16 0.00 0.00 32.46 30.55 2a1d n ARG 173 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2a1d s ILE 174 N -1.01 5.16 0.11 0.55 1.01 -1.26 -5.05 121.20 120.70 2a1d s ILE 174 Ca 0.25 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 2a1d s ILE 174 Cb 0.14 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 2a1d s ILE 174 CO 0.18 0.49 1.60 -0.60 0.00 0.00 0.00 174.94 176.61 2a1d s ARG 175 N 0.07 4.21 0.45 2.79 3.52 -1.26 -4.99 118.95 123.74 2a1d s ARG 175 Ca 0.08 2.33 -0.00 0.00 -0.13 0.00 0.00 55.73 58.00 2a1d s ARG 175 Cb -0.12 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2a1d s ARG 175 CO -0.00 -0.66 0.69 0.42 -0.81 0.00 0.00 175.30 174.93 2a1d s ILE 176 N 1.94 4.13 0.01 4.11 -1.09 -1.26 -4.92 121.20 124.12 2a1d s ILE 176 Ca 0.72 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 58.64 2a1d s ILE 176 Cb -0.41 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2a1d s ILE 176 CO 0.32 -0.40 0.16 0.42 -1.23 0.00 0.00 174.94 174.21 2a1d s THR 177 N -2.58 0.09 -0.88 2.92 -4.23 -1.26 -5.00 115.64 104.70 2a1d s THR 177 Ca 0.48 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2a1d s THR 177 Cb -0.10 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.19 2a1d s THR 177 CO 0.39 -0.40 0.93 0.47 -0.54 0.00 0.00 174.62 175.47 2a1d n ASP 178 N 1.28 0.00 -1.94 3.99 9.92 -1.26 -1.48 116.55 127.06 2a1d n ASP 178 Ca -0.22 0.43 -0.19 0.00 -0.53 0.00 0.00 54.79 54.28 2a1d n ASP 178 Cb 0.56 -0.43 0.12 0.00 -0.64 0.00 0.00 41.12 40.73 2a1d n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2a1d n ASN 179 N -1.43 4.21 -3.61 -2.24 4.13 -1.26 -4.86 115.26 110.19 2a1d n ASN 179 Ca 0.00 -3.23 -0.07 0.00 1.68 0.00 0.00 54.58 52.96 2a1d n ASN 179 Cb 0.07 -0.80 -0.05 0.00 -1.54 0.00 0.00 39.78 37.45 2a1d n ASN 179 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a1d s MET 180 N -2.50 0.37 0.15 3.52 0.23 -0.55 -3.41 119.30 117.11 2a1d s MET 180 Ca 0.43 0.16 0.04 0.00 -1.03 0.00 0.00 55.69 55.29 2a1d s MET 180 Cb 0.36 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.79 2a1d s MET 180 CO 0.06 -0.10 -0.08 -0.59 -2.03 0.00 0.00 175.02 172.28 2a1d s PHE 181 N -0.79 1.26 -0.03 3.16 -0.12 -0.54 -4.69 117.98 116.23 2a1d s PHE 181 Ca 0.03 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.18 2a1d s PHE 181 Cb -0.02 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 2a1d s PHE 181 CO -0.04 0.04 -0.24 0.00 -0.05 0.00 0.00 175.22 174.93 2a1d s ALA 183 N -0.57 1.28 0.00 0.00 0.00 -0.15 -1.73 121.76 120.58 2a1d s ALA 183 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2a1d s ALA 183 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2a1d s ALA 183 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2a1d n GLY 184 N 0.50 -0.13 3.59 0.00 0.00 0.18 -2.44 105.19 106.88 2a1d n GLY 184 Ca -0.15 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2a1d n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a1d s TYR 184 N -2.68 3.03 0.25 1.61 2.02 -1.26 -4.06 117.35 116.26 2a1d s TYR 184 Ca 0.00 -0.00 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 2a1d s TYR 184 Cb 0.00 -1.80 -0.09 0.00 -0.40 0.00 0.00 41.96 39.67 2a1d s TYR 184 CO 0.00 0.28 1.00 0.15 -1.57 0.00 0.00 175.55 175.42 2a1d s LYS 185 N -0.53 4.77 0.22 -0.62 1.02 -1.26 -4.90 119.74 118.43 2a1d s LYS 185 Ca 0.08 1.62 -0.17 0.00 0.02 0.00 0.00 55.97 57.52 2a1d s LYS 185 Cb -0.12 -3.24 0.22 0.00 -0.52 0.00 0.00 37.83 34.17 2a1d s LYS 185 CO 0.02 0.39 1.58 -1.00 -0.92 0.00 0.00 175.35 175.43 2a1d h PRO 186 N 4.03 -0.07 0.00 -1.68 0.13 -1.95 0.89 132.00 133.35 2a1d h PRO 186 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2a1d h PRO 186 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a1d h PRO 186 CO 0.68 -0.05 0.30 0.78 -0.23 0.00 0.00 178.00 179.48 2a1d h GLY 186 N -0.07 0.00 -0.85 1.56 0.00 -1.99 -3.41 103.07 98.30 2a1d h GLY 186 Ca 0.31 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.18 2a1d h GLY 186 CO -0.79 0.00 0.35 -0.54 0.00 0.00 0.00 176.54 175.56 2a1d s GLU 186 N -3.52 1.63 -0.06 4.80 2.02 0.31 -5.07 118.70 118.80 2a1d s GLU 186 Ca -0.02 -0.21 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 2a1d s GLU 186 Cb 0.05 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 2a1d s GLU 186 CO 0.16 -1.73 -0.07 0.41 0.02 0.00 0.00 175.26 174.04 2a1d n GLY 186 N -3.32 -0.71 2.57 -1.39 0.00 -1.26 -4.95 105.19 96.14 2a1d n GLY 186 Ca 0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2a1d n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a1d n LYS 186 N -3.22 -4.37 -3.40 1.61 5.02 -1.26 -5.06 118.16 107.48 2a1d n LYS 186 Ca -0.03 -1.18 -0.02 0.00 -2.02 0.00 0.00 58.31 55.06 2a1d n LYS 186 Cb 0.11 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2a1d n LYS 186 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2a1d n ARG 187 N -5.10 0.46 0.00 1.97 1.85 -1.26 -4.90 116.66 109.67 2a1d n ARG 187 Ca 0.11 -1.10 0.00 0.00 -1.00 0.00 0.00 57.85 55.87 2a1d n ARG 187 Cb 0.49 1.51 0.00 0.00 -1.05 0.00 0.00 32.46 33.41 2a1d n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a1d n GLY 188 N -0.60 0.82 0.00 2.89 0.00 -1.26 -4.90 105.19 102.13 2a1d n GLY 188 Ca -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2a1d n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a1d n ASP 189 N 0.00 0.00 -4.95 1.61 2.03 -1.04 -4.66 116.55 109.53 2a1d n ASP 189 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2a1d n ASP 189 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2a1d n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a1d s ALA 190 N -2.00 3.73 0.00 -1.67 0.00 -1.26 -0.32 121.76 120.24 2a1d s ALA 190 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2a1d s ALA 190 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2a1d s ALA 190 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50 2a1d s GLU 192 N 1.73 2.97 -1.54 0.00 8.01 -1.26 -3.25 118.70 125.36 2a1d s GLU 192 Ca 0.00 1.19 -0.05 0.00 0.01 0.00 0.00 54.97 56.11 2a1d s GLU 192 Cb 0.00 -1.99 0.01 0.00 -4.31 0.00 0.00 34.13 27.84 2a1d s GLU 192 CO 0.00 -1.09 0.68 0.41 0.01 0.00 0.00 175.26 175.27 2a1d n GLY 193 N -1.13 -0.53 0.00 -1.39 0.00 -1.26 -1.49 105.19 99.39 2a1d n GLY 193 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2a1d n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a1d n ASP 194 N -2.59 3.05 0.00 1.61 8.00 -1.20 -2.88 116.55 122.54 2a1d n ASP 194 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2a1d n ASP 194 Cb 0.61 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2a1d n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2a1d n SER 195 N -1.82 0.00 0.00 -2.24 7.64 -1.26 -1.98 113.62 113.96 2a1d n SER 195 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a1d n SER 195 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2a1d n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a1d n GLY 196 N 0.00 0.00 3.33 0.23 0.00 -1.23 -2.87 105.19 104.65 2a1d n GLY 196 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2a1d n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1d n GLY 197 N -0.86 -2.47 3.90 -0.02 0.00 -0.84 -3.58 105.19 101.33 2a1d n GLY 197 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2a1d n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a1d s PRO 198 N -3.35 3.63 -0.43 1.61 0.04 -1.25 -1.72 135.00 133.53 2a1d s PRO 198 Ca 0.54 0.10 0.03 0.00 0.04 0.00 0.00 61.00 61.71 2a1d s PRO 198 Cb -0.18 -2.54 0.12 0.00 0.04 0.00 0.00 34.50 31.93 2a1d s PRO 198 CO 0.69 0.08 0.17 0.12 0.04 0.00 0.00 177.00 178.10 2a1d s PHE 199 N -2.29 3.10 0.38 0.56 2.19 0.20 -3.52 117.98 118.59 2a1d s PHE 199 Ca 0.46 -2.90 0.07 0.00 0.33 0.00 0.00 56.93 54.89 2a1d s PHE 199 Cb -0.10 -2.64 -0.00 0.00 -1.31 0.00 0.00 43.02 38.96 2a1d s PHE 199 CO 0.34 -0.83 0.51 0.14 1.83 0.00 0.00 175.22 177.21 2a1d s VAL 200 N 0.35 3.49 0.01 3.12 -7.23 0.43 -0.51 120.40 120.06 2a1d s VAL 200 Ca 0.14 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.23 2a1d s VAL 200 Cb -0.23 -3.19 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 2a1d s VAL 200 CO -0.05 -0.08 0.13 -0.04 -0.31 0.00 0.00 175.10 174.76 2a1d s MET 201 N -4.25 0.52 -0.31 4.82 -1.94 -0.19 0.19 119.30 118.15 2a1d s MET 201 Ca 0.50 -0.50 -0.05 0.00 -1.71 0.00 0.00 55.69 53.93 2a1d s MET 201 Cb -0.09 0.21 0.03 0.00 2.01 0.00 0.00 34.83 36.99 2a1d s MET 201 CO 0.32 -0.13 0.05 0.21 -0.01 0.00 0.00 175.02 175.46 2a1d s LYS 202 N -1.76 2.74 -0.02 2.03 2.20 -1.26 -0.26 119.74 123.42 2a1d s LYS 202 Ca -0.12 -1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 54.12 2a1d s LYS 202 Cb -0.06 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2a1d s LYS 202 CO -0.00 -0.56 1.79 0.45 -0.36 0.00 0.00 175.35 176.68 2a1d s SER 203 N 1.39 6.57 0.21 1.43 0.15 0.15 -4.84 113.70 118.76 2a1d s SER 203 Ca -0.01 2.42 0.22 0.00 0.70 0.00 0.00 55.95 59.28 2a1d s SER 203 Cb -0.18 -2.53 0.92 0.00 -1.71 0.00 0.00 66.02 62.51 2a1d s SER 203 CO 0.01 -0.99 1.67 -2.65 1.20 0.00 0.00 173.24 172.48 2a1d n PRO 204 N 7.32 0.16 -0.17 5.44 -0.02 -1.26 -0.41 135.00 146.06 2a1d n PRO 204 Ca 0.18 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 2a1d n PRO 204 Cb 0.42 -1.81 0.23 0.00 -0.02 0.00 0.00 33.50 32.32 2a1d n PRO 204 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2a1d n TYR 204 N -2.11 0.45 0.00 6.00 4.01 -1.26 -4.43 117.16 119.82 2a1d n TYR 204 Ca 0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2a1d n TYR 204 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2a1d n TYR 204 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2a1d n ASN 204 N 0.61 0.00 -3.26 7.72 6.94 -1.02 -5.04 115.26 121.21 2a1d n ASN 204 Ca 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.61 2a1d n ASN 204 Cb 0.34 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.75 2a1d n ASN 204 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2a1d n ASN 205 N 0.00 -0.20 -4.29 0.53 4.13 0.45 -4.91 115.26 110.97 2a1d n ASN 205 Ca 0.00 -0.32 -0.22 0.00 1.68 0.00 0.00 54.58 55.72 2a1d n ASN 205 Cb 0.00 -0.39 -0.12 0.00 -1.54 0.00 0.00 39.78 37.73 2a1d n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2a1d s ARG 206 N -4.63 1.14 -0.21 3.52 0.52 -1.22 -4.93 118.95 113.14 2a1d s ARG 206 Ca 0.04 -1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 53.91 2a1d s ARG 206 Cb -0.02 -1.29 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 2a1d s ARG 206 CO 0.25 0.28 0.18 -1.58 0.02 0.00 0.00 175.30 174.45 2a1d s TRP 207 N -1.55 3.38 -0.08 -0.53 0.52 -1.26 -0.67 118.94 118.75 2a1d s TRP 207 Ca 0.09 0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.60 2a1d s TRP 207 Cb -0.08 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 2a1d s TRP 207 CO 0.05 0.19 -0.17 0.71 0.02 0.00 0.00 176.95 177.75 2a1d s TYR 208 N 0.67 2.67 -0.74 -1.98 1.51 0.65 -1.51 117.35 118.61 2a1d s TYR 208 Ca 0.10 -0.51 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 2a1d s TYR 208 Cb -0.12 -1.70 0.07 0.00 -0.11 0.00 0.00 41.96 40.09 2a1d s TYR 208 CO 0.02 -0.08 1.09 -1.14 -1.11 0.00 0.00 175.55 174.33 2a1d s GLN 209 N -0.16 3.22 0.13 -0.62 0.74 0.32 -1.02 119.66 122.27 2a1d s GLN 209 Ca -0.02 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.44 2a1d s GLN 209 Cb -0.14 -4.39 -0.04 0.00 1.10 0.00 0.00 33.01 29.55 2a1d s GLN 209 CO 0.03 -1.92 1.49 0.52 -0.55 0.00 0.00 175.29 174.86 2a1d h MET 210 N 9.60 0.88 -4.39 1.67 2.86 -1.12 -3.37 114.93 121.07 2a1d h MET 210 Ca -0.20 -0.43 -0.25 0.00 -2.06 0.00 0.00 59.70 56.77 2a1d h MET 210 Cb 1.06 -0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.59 2a1d h MET 210 CO 1.21 1.08 -0.44 0.20 1.06 0.00 0.00 176.91 180.02 2a1d s GLY 211 N -3.73 1.42 -0.06 8.32 0.00 -0.64 -0.50 107.32 112.14 2a1d s GLY 211 Ca -0.12 -1.57 0.05 0.00 0.00 0.00 0.00 44.72 43.08 2a1d s GLY 211 CO 0.86 -1.20 -0.22 -0.42 0.00 0.00 0.00 173.10 172.12 2a1d s ILE 212 N -3.86 2.32 -0.01 0.90 1.01 -1.11 0.61 121.20 121.06 2a1d s ILE 212 Ca 0.35 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2a1d s ILE 212 Cb 0.04 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 2a1d s ILE 212 CO 0.15 0.57 1.63 -0.69 0.00 0.00 0.00 174.94 176.60 2a1d s VAL 213 N -0.25 3.44 0.01 2.92 1.01 -0.70 -0.24 120.40 126.59 2a1d s VAL 213 Ca -0.00 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2a1d s VAL 213 Cb -0.13 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2a1d s VAL 213 CO 0.03 -0.04 -0.06 -0.24 0.00 0.00 0.00 175.10 174.79 2a1d n SER 214 N 6.50 0.75 -1.34 3.32 2.88 -0.72 -3.52 113.62 121.50 2a1d n SER 214 Ca 0.16 0.11 -0.03 0.00 -1.33 0.00 0.00 58.87 57.79 2a1d n SER 214 Cb 0.42 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 2a1d n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2a1d n TRP 215 N -3.21 -0.53 0.00 0.66 4.27 -0.27 -4.87 117.44 113.48 2a1d n TRP 215 Ca -0.02 -0.40 0.00 0.00 -3.89 0.00 0.00 57.50 53.18 2a1d n TRP 215 Cb 0.09 0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.13 2a1d n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2a1d n GLY 216 N -0.10 2.43 3.32 -1.67 0.00 -1.26 -0.96 105.19 106.94 2a1d n GLY 216 Ca 0.00 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 2a1d n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a1d s GLU 217 N -2.00 3.14 1.98 1.61 2.02 -1.26 -4.90 118.70 119.28 2a1d s GLU 217 Ca 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.11 2a1d s GLU 217 Cb 0.00 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.90 2a1d s GLU 217 CO 0.00 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.36 2a1d n GLY 219 N 4.95 0.76 3.48 -1.39 0.00 -1.26 -4.76 105.19 106.97 2a1d n GLY 219 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2a1d n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1d n ASP 221 N 4.94 -3.66 -3.15 0.00 2.03 -1.26 -4.69 116.55 110.77 2a1d n ASP 221 Ca -0.11 0.24 -0.19 0.00 0.52 0.00 0.00 54.79 55.25 2a1d n ASP 221 Cb 0.52 -3.23 0.17 0.00 -0.72 0.00 0.00 41.12 37.87 2a1d n ASP 221 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a1d n ARG 221 N -2.42 -3.16 -3.82 -0.67 1.74 -1.26 -4.93 116.66 102.15 2a1d n ARG 221 Ca -0.14 -0.99 -0.36 0.00 -0.77 0.00 0.00 57.85 55.59 2a1d n ARG 221 Cb 0.53 -1.11 -0.12 0.00 -1.02 0.00 0.00 32.46 30.73 2a1d n ARG 221 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2a1d s ASP 222 N -2.99 5.14 0.00 0.55 -0.00 -1.26 -4.53 116.67 113.58 2a1d s ASP 222 Ca 0.43 -1.68 0.00 0.00 -0.00 0.00 0.00 52.55 51.30 2a1d s ASP 222 Cb -0.06 -1.79 0.00 0.00 -0.00 0.00 0.00 42.92 41.07 2a1d s ASP 222 CO 0.35 -0.42 0.00 0.61 -0.00 0.00 0.00 175.17 175.70 2a1d n GLY 223 N 4.63 2.27 3.96 0.21 0.00 -1.26 -5.04 105.19 109.95 2a1d n GLY 223 Ca -0.07 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 2a1d n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1d s LYS 224 N 0.00 3.41 0.29 1.61 1.02 -1.26 -4.78 119.74 120.03 2a1d s LYS 224 Ca 0.00 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.31 2a1d s LYS 224 Cb 0.00 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 2a1d s LYS 224 CO 0.00 0.44 -0.08 0.71 -0.92 0.00 0.00 175.35 175.50 2a1d s TYR 225 N -1.96 2.06 0.08 3.18 2.02 -1.26 -4.67 117.35 116.80 2a1d s TYR 225 Ca 0.34 -0.63 -0.26 0.00 -0.37 0.00 0.00 57.07 56.16 2a1d s TYR 225 Cb -0.09 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.25 2a1d s TYR 225 CO 0.29 0.38 0.79 0.20 -1.57 0.00 0.00 175.55 175.63 2a1d s GLY 226 N -3.48 2.85 -0.17 0.71 0.00 -1.02 -4.59 107.32 101.61 2a1d s GLY 226 Ca 0.30 0.33 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 2a1d s GLY 226 CO 0.13 1.07 0.02 -1.36 0.00 0.00 0.00 173.10 172.96 2a1d s PHE 227 N -0.34 3.14 0.34 1.90 0.40 -0.14 -0.98 117.98 122.31 2a1d s PHE 227 Ca 0.39 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 2a1d s PHE 227 Cb -0.21 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 2a1d s PHE 227 CO 0.25 0.04 0.00 0.71 0.70 0.00 0.00 175.22 176.92 2a1d s TYR 228 N 0.43 2.53 0.16 0.36 1.51 0.28 -1.12 117.35 121.50 2a1d s TYR 228 Ca -0.00 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 2a1d s TYR 228 Cb -0.13 -1.50 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 2a1d s TYR 228 CO 0.02 0.48 0.90 0.99 -1.11 0.00 0.00 175.55 176.83 2a1d s THR 229 N -2.54 4.35 -0.93 -0.71 2.01 0.67 -1.47 115.64 117.03 2a1d s THR 229 Ca 0.35 1.97 -0.24 0.00 0.31 0.00 0.00 61.69 64.07 2a1d s THR 229 Cb 0.01 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.29 2a1d s THR 229 CO 0.19 0.42 1.40 -2.28 -0.69 0.00 0.00 174.62 173.66 2a1d s HIS 230 N -0.60 2.45 0.16 4.92 2.46 -1.22 -2.76 115.29 120.70 2a1d s HIS 230 Ca 0.42 -0.58 -0.15 0.00 0.47 0.00 0.00 55.06 55.22 2a1d s HIS 230 Cb -0.24 -4.67 0.05 0.00 -0.13 0.00 0.00 32.58 27.58 2a1d s HIS 230 CO 0.29 -1.98 1.82 0.28 -2.47 0.00 0.00 174.74 172.68 2a1d h VAL 231 N 6.56 1.11 -0.15 0.89 2.07 -1.09 -3.09 116.25 122.54 2a1d h VAL 231 Ca 0.05 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2a1d h VAL 231 Cb 1.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2a1d h VAL 231 CO 1.38 0.11 -0.11 0.15 0.02 0.00 0.00 177.57 179.13 2a1d h PHE 232 N 0.62 -0.26 -0.09 1.57 3.57 -1.84 -1.01 116.94 119.51 2a1d h PHE 232 Ca 0.17 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2a1d h PHE 232 Cb -0.06 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 2a1d h PHE 232 CO -0.05 -0.16 0.25 -0.09 -2.23 0.00 0.00 178.31 176.03 2a1d h ARG 233 N -0.11 0.00 0.00 1.11 2.43 -1.90 0.24 114.38 116.14 2a1d h ARG 233 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2a1d h ARG 233 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2a1d h ARG 233 CO -0.22 0.00 -1.00 1.28 -1.51 0.00 0.00 179.97 178.52 2a1d n LEU 234 N -3.22 0.76 0.32 3.80 7.99 -0.49 -4.33 117.00 121.84 2a1d n LEU 234 Ca -0.00 -0.29 0.13 0.00 -0.01 0.00 0.00 56.01 55.84 2a1d n LEU 234 Cb 0.34 -0.06 0.68 0.00 -0.11 0.00 0.00 43.42 44.26 2a1d n LEU 234 CO 0.19 0.17 1.11 0.50 -1.51 0.00 0.00 177.39 177.85 2a1d h LYS 235 N 0.00 0.00 -0.25 3.23 3.64 0.61 0.91 116.57 124.71 2a1d h LYS 235 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2a1d h LYS 235 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2a1d h LYS 235 CO 0.00 0.00 -0.15 0.87 -2.27 0.00 0.00 179.45 177.90 2a1d h LYS 236 N 0.00 0.55 0.32 1.90 1.79 -1.75 -2.58 116.57 116.80 2a1d h LYS 236 Ca 0.01 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 2a1d h LYS 236 Cb 0.92 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2a1d h LYS 236 CO -0.00 0.82 -0.15 2.35 -1.08 0.00 0.00 179.45 181.39 2a1d h TRP 237 N 0.28 -0.40 -0.69 -1.35 7.01 0.52 -2.32 115.95 119.00 2a1d h TRP 237 Ca 0.05 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.11 2a1d h TRP 237 Cb 0.67 0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.78 2a1d h TRP 237 CO 0.07 -0.09 -0.42 0.82 -2.79 0.00 0.00 178.44 176.02 2a1d h ILE 238 N -0.72 0.00 -0.19 2.65 2.04 -1.43 -0.13 117.51 119.74 2a1d h ILE 238 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2a1d h ILE 238 Cb 0.49 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 2a1d h ILE 238 CO 0.07 0.00 -0.44 -0.61 0.00 0.00 0.00 178.15 177.17 2a1d h GLN 239 N -0.02 -0.40 -1.83 2.37 4.15 -1.50 0.16 115.11 118.04 2a1d h GLN 239 Ca 0.11 0.03 0.53 0.00 0.77 0.00 0.00 58.65 60.09 2a1d h GLN 239 Cb 0.30 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.01 2a1d h GLN 239 CO -0.66 -0.27 1.33 1.17 -1.93 0.00 0.00 178.83 178.48 2a1d n LYS 240 N -4.87 0.00 -0.04 1.69 4.81 -0.17 -1.14 118.16 118.45 2a1d n LYS 240 Ca -0.04 1.01 0.02 0.00 -0.87 0.00 0.00 58.31 58.44 2a1d n LYS 240 Cb 0.29 -2.35 -0.15 0.00 0.02 0.00 0.00 35.03 32.85 2a1d n LYS 240 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2a1d n VAL 241 N -3.77 0.48 -0.06 3.15 0.24 0.42 -4.36 118.33 114.42 2a1d n VAL 241 Ca 0.41 -0.56 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 2a1d n VAL 241 Cb 1.88 -0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 34.01 2a1d n VAL 241 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2a1d h ILE 242 N 0.00 1.01 0.00 1.34 2.04 0.14 -3.31 117.51 118.74 2a1d h ILE 242 Ca -0.19 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 2a1d h ILE 242 Cb 1.35 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2a1d h ILE 242 CO 0.01 0.34 -0.02 0.47 0.00 0.00 0.00 178.15 178.96 2a1d n ASP 243 N -4.66 4.46 0.09 1.72 9.92 -0.99 -4.45 116.55 122.64 2a1d n ASP 243 Ca -0.07 -2.19 -0.04 0.00 -0.53 0.00 0.00 54.79 51.96 2a1d n ASP 243 Cb 0.31 -0.96 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 2a1d n ASP 243 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2a1d h ARG 244 N 1.63 -0.24 -5.84 -1.24 9.65 -1.76 -3.43 114.38 113.15 2a1d h ARG 244 Ca 0.01 0.02 -0.59 0.00 -1.10 0.00 0.00 59.98 58.32 2a1d h ARG 244 Cb 0.86 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 2a1d h ARG 244 CO 0.02 -0.16 1.52 1.28 2.80 0.00 0.00 179.97 185.42 2a1d n LEU 245 N -3.06 2.45 0.00 3.80 4.77 -1.26 -2.59 117.00 121.11 2a1d n LEU 245 Ca -0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2a1d n LEU 245 Cb 0.10 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 2a1d n LEU 245 CO 0.08 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 175.84 2a1d n GLY 246 N 6.16 1.22 0.00 -0.72 0.00 -1.26 -5.19 105.19 105.40 2a1d n GLY 246 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2a1d n GLY 246 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76