#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2e s VAL 2 N 0.00 3.84 -0.00 2.62 1.01 -1.26 -4.21 120.40 122.40 2r2e s VAL 2 Ca 0.00 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.04 2r2e s VAL 2 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2r2e s VAL 2 CO 0.00 -0.13 -0.15 -1.59 0.00 0.00 0.00 175.10 173.23 2r2e s LYS 3 N 3.97 1.17 -0.04 2.72 -2.85 -0.91 -5.02 119.74 118.78 2r2e s LYS 3 Ca 0.67 -0.58 0.02 0.00 -1.00 0.00 0.00 55.97 55.07 2r2e s LYS 3 Cb -0.28 -1.15 0.01 0.00 -2.06 0.00 0.00 37.83 34.36 2r2e s LYS 3 CO 0.24 0.31 -0.07 -0.51 0.10 0.00 0.00 175.35 175.43 2r2e s LEU 4 N -0.50 1.56 -0.23 2.77 1.43 -1.26 -2.31 118.68 120.15 2r2e s LEU 4 Ca 0.05 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2r2e s LEU 4 Cb -0.06 -0.51 0.09 0.00 0.03 0.00 0.00 46.19 45.73 2r2e s LEU 4 CO -0.00 0.00 0.15 -0.69 0.23 0.00 0.00 176.35 176.04 2r2e s VAL 5 N 0.58 -0.17 0.33 -1.59 1.01 0.07 -4.26 120.40 116.38 2r2e s VAL 5 Ca -0.09 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 2r2e s VAL 5 Cb -0.12 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 2r2e s VAL 5 CO 0.01 -0.42 0.86 -1.61 0.00 0.00 0.00 175.10 173.94 2r2e s GLU 6 N 2.19 4.28 0.23 2.72 8.01 -1.26 -0.61 118.70 134.26 2r2e s GLU 6 Ca 0.06 1.03 -0.05 0.00 0.01 0.00 0.00 54.97 56.02 2r2e s GLU 6 Cb -0.16 -2.55 -0.03 0.00 -4.31 0.00 0.00 34.13 27.09 2r2e s GLU 6 CO -0.20 0.18 0.27 -1.12 0.01 0.00 0.00 175.26 174.40 2r2e s SER 7 N -1.94 0.18 0.00 -0.19 0.01 0.02 -4.79 113.70 107.00 2r2e s SER 7 Ca 0.53 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2r2e s SER 7 Cb -0.13 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2r2e s SER 7 CO 0.19 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2r2e n GLY 8 N -0.34 0.72 3.88 3.44 0.00 -1.26 -1.72 105.19 109.91 2r2e n GLY 8 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2r2e n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r2e s GLY 9 N -1.45 1.62 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.46 2r2e s GLY 9 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2r2e s GLY 9 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2r2e n GLY 10 N -2.96 0.17 3.77 0.20 0.00 -0.84 -4.96 105.19 100.57 2r2e n GLY 10 Ca 0.07 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2r2e n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r2e s LEU 11 N 0.00 4.54 0.03 0.99 2.96 -1.26 -1.99 118.68 123.96 2r2e s LEU 11 Ca 0.00 1.54 -0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2r2e s LEU 11 Cb 0.00 -3.23 -0.00 0.00 0.50 0.00 0.00 46.19 43.45 2r2e s LEU 11 CO 0.00 0.16 0.13 0.54 -1.32 0.00 0.00 176.35 175.86 2r2e s VAL 12 N -0.82 0.11 0.03 1.68 0.11 -0.08 -4.95 120.40 116.48 2r2e s VAL 12 Ca 0.36 -0.94 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 2r2e s VAL 12 Cb -0.22 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2r2e s VAL 12 CO 0.24 -0.52 0.33 -1.10 -3.33 0.00 0.00 175.10 170.73 2r2e s GLN 13 N -2.26 3.69 -0.40 1.54 -0.21 -1.25 -0.53 119.66 120.24 2r2e s GLN 13 Ca -0.08 0.10 -0.45 0.00 0.02 0.00 0.00 55.36 54.95 2r2e s GLN 13 Cb -0.03 -3.08 -0.19 0.00 1.00 0.00 0.00 33.01 30.71 2r2e s GLN 13 CO -0.03 0.63 1.57 0.45 -2.12 0.00 0.00 175.29 175.79 2r2e n SER 14 N 1.20 1.31 0.00 5.90 2.88 -1.26 -0.32 113.62 123.32 2r2e n SER 14 Ca -0.11 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2r2e n SER 14 Cb 0.53 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2r2e n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r2e n GLY 15 N 3.78 2.33 3.73 0.46 0.00 0.39 -4.94 105.19 110.95 2r2e n GLY 15 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 2r2e n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r2e s GLY 16 N -2.66 1.58 0.27 -0.02 0.00 0.56 -3.90 107.32 103.14 2r2e s GLY 16 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 44.72 44.40 2r2e s GLY 16 CO 0.00 0.17 0.12 -0.56 0.00 0.00 0.00 173.10 172.83 2r2e s SER 17 N -3.72 5.11 -0.28 1.64 0.01 -1.26 -1.12 113.70 114.07 2r2e s SER 17 Ca 0.64 -0.43 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 2r2e s SER 17 Cb -0.17 -1.14 0.10 0.00 0.21 0.00 0.00 66.02 65.02 2r2e s SER 17 CO 0.56 -0.05 0.80 -0.22 0.41 0.00 0.00 173.24 174.73 2r2e s LEU 18 N -3.79 -0.78 -0.13 2.44 2.96 0.09 -4.99 118.68 114.49 2r2e s LEU 18 Ca 0.33 1.26 -0.03 0.00 -0.22 0.00 0.00 54.13 55.47 2r2e s LEU 18 Cb -0.07 2.16 -0.03 0.00 0.50 0.00 0.00 46.19 48.75 2r2e s LEU 18 CO 0.23 -0.20 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.44 2r2e s ARG 19 N 1.45 3.40 0.10 1.98 3.52 -1.26 -0.88 118.95 127.27 2r2e s ARG 19 Ca -0.09 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 2r2e s ARG 19 Cb -0.05 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2r2e s ARG 19 CO -0.17 0.42 0.05 -0.51 -0.81 0.00 0.00 175.30 174.28 2r2e s LEU 20 N -0.11 3.64 0.17 -0.88 1.43 0.48 -4.69 118.68 118.73 2r2e s LEU 20 Ca 0.03 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2r2e s LEU 20 Cb -0.13 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2r2e s LEU 20 CO 0.02 0.16 -0.15 -0.94 0.23 0.00 0.00 176.35 175.67 2r2e s SER 21 N -2.48 2.41 -0.25 2.29 1.04 -0.70 -0.84 113.70 115.16 2r2e s SER 21 Ca 0.28 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 2r2e s SER 21 Cb -0.12 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 65.98 2r2e s SER 21 CO 0.21 -0.15 0.16 0.00 0.98 0.00 0.00 173.24 174.43 2r2e s ALA 23 N 2.18 3.46 0.12 0.00 0.00 0.22 -1.08 121.76 126.64 2r2e s ALA 23 Ca 0.07 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.71 2r2e s ALA 23 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2r2e s ALA 23 CO -0.27 -0.69 -0.23 0.95 0.00 0.00 0.00 175.76 175.52 2r2e s THR 24 N 2.05 2.50 0.25 0.00 -4.23 -0.72 -0.75 115.64 114.74 2r2e s THR 24 Ca 0.54 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2r2e s THR 24 Cb -0.23 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 2r2e s THR 24 CO 0.22 0.12 0.49 -0.94 -0.54 0.00 0.00 174.62 173.97 2r2e s SER 25 N -2.03 -0.10 0.00 3.99 1.04 -0.98 -4.79 113.70 110.84 2r2e s SER 25 Ca 0.15 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2r2e s SER 25 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2r2e s SER 25 CO 0.07 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2r2e n GLY 26 N -0.39 0.69 3.71 7.32 0.00 -1.26 -2.15 105.19 113.11 2r2e n GLY 26 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2r2e n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r2e s PHE 27 N -2.28 -0.31 -1.02 1.61 -0.71 -1.26 -4.37 117.98 109.64 2r2e s PHE 27 Ca 0.00 -0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.62 2r2e s PHE 27 Cb 0.00 0.66 0.09 0.00 -1.21 0.00 0.00 43.02 42.56 2r2e s PHE 27 CO 0.00 -1.11 1.35 0.99 -1.34 0.00 0.00 175.22 175.11 2r2e s THR 28 N -3.86 4.30 0.29 -4.49 2.01 -1.26 -4.90 115.64 107.73 2r2e s THR 28 Ca 0.08 -1.26 -0.00 0.00 0.31 0.00 0.00 61.69 60.81 2r2e s THR 28 Cb -0.04 -4.96 0.37 0.00 0.01 0.00 0.00 72.50 67.88 2r2e s THR 28 CO 0.00 -1.77 1.59 0.15 -0.69 0.00 0.00 174.62 173.91 2r2e h PHE 29 N 9.12 -0.01 0.00 4.92 3.57 -1.97 -0.74 116.94 131.81 2r2e h PHE 29 Ca 0.21 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2r2e h PHE 29 Cb 1.00 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 2r2e h PHE 29 CO 1.24 -0.37 -0.04 1.79 -2.23 0.00 0.00 178.31 178.70 2r2e h THR 30 N 0.05 0.14 0.00 4.41 1.35 -1.93 -1.65 112.91 115.29 2r2e h THR 30 Ca 0.55 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2r2e h THR 30 Cb 1.10 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2r2e h THR 30 CO -0.84 0.04 0.00 0.44 -0.25 0.00 0.00 175.52 174.91 2r2e h ASP 31 N 0.00 0.00 -3.85 5.36 3.32 -1.54 -1.13 116.42 118.58 2r2e h ASP 31 Ca -0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 2r2e h ASP 31 Cb 0.40 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.68 2r2e h ASP 31 CO 0.01 0.00 -0.80 -0.31 -1.72 0.00 0.00 179.24 176.42 2r2e s TYR 32 N -3.47 2.66 0.50 4.55 2.02 -0.62 -4.51 117.35 118.49 2r2e s TYR 32 Ca 0.03 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 2r2e s TYR 32 Cb 0.09 -1.68 -0.06 0.00 -0.40 0.00 0.00 41.96 39.91 2r2e s TYR 32 CO 0.48 -0.02 1.35 0.71 -1.57 0.00 0.00 175.55 176.50 2r2e s TYR 33 N -0.30 2.44 -0.05 2.71 1.51 0.34 -4.26 117.35 119.73 2r2e s TYR 33 Ca 0.02 1.36 0.02 0.00 -1.01 0.00 0.00 57.07 57.46 2r2e s TYR 33 Cb -0.13 -3.78 0.01 0.00 -0.11 0.00 0.00 41.96 37.95 2r2e s TYR 33 CO 0.03 -2.70 -0.11 -1.64 -1.11 0.00 0.00 175.55 170.02 2r2e s MET 34 N -2.70 1.42 0.11 -0.62 -1.94 -0.71 -0.96 119.30 113.89 2r2e s MET 34 Ca 0.67 -0.36 0.09 0.00 -1.71 0.00 0.00 55.69 54.38 2r2e s MET 34 Cb -0.40 -1.22 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 2r2e s MET 34 CO 0.49 0.05 -0.21 -1.12 -0.01 0.00 0.00 175.02 174.22 2r2e s SER 35 N 0.55 3.70 -0.16 3.03 0.01 -0.53 -1.46 113.70 118.84 2r2e s SER 35 Ca -0.11 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 2r2e s SER 35 Cb -0.14 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 2r2e s SER 35 CO 0.02 0.19 -0.02 0.26 0.41 0.00 0.00 173.24 174.10 2r2e s TRP 36 N -1.09 3.06 -0.03 2.43 0.52 -0.70 -0.52 118.94 122.61 2r2e s TRP 36 Ca 0.16 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 56.10 2r2e s TRP 36 Cb -0.10 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2r2e s TRP 36 CO 0.08 -0.00 -0.20 0.08 0.02 0.00 0.00 176.95 176.93 2r2e s VAL 37 N 0.36 1.60 0.28 4.03 1.01 -0.04 -1.39 120.40 126.25 2r2e s VAL 37 Ca -0.03 -0.84 0.12 0.00 0.00 0.00 0.00 61.98 61.23 2r2e s VAL 37 Cb -0.14 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2r2e s VAL 37 CO 0.02 0.45 -0.18 0.00 0.00 0.00 0.00 175.10 175.40 2r2e s ARG 38 N -0.22 1.74 -0.28 2.72 1.70 0.94 0.00 118.95 125.54 2r2e s ARG 38 Ca 0.01 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.53 2r2e s ARG 38 Cb -0.10 -1.80 0.14 0.00 -0.57 0.00 0.00 34.95 32.62 2r2e s ARG 38 CO 0.01 0.32 0.34 -1.14 -1.08 0.00 0.00 175.30 173.75 2r2e s GLN 39 N -3.53 0.35 0.64 3.89 0.74 0.02 0.53 119.66 122.31 2r2e s GLN 39 Ca 0.30 0.02 -0.18 0.00 0.05 0.00 0.00 55.36 55.55 2r2e s GLN 39 Cb -0.05 -0.54 -0.01 0.00 1.10 0.00 0.00 33.01 33.51 2r2e s GLN 39 CO 0.15 -0.99 1.29 -2.14 -0.55 0.00 0.00 175.29 173.05 2r2e s PRO 40 N 2.44 2.58 0.12 1.67 0.02 -1.26 -1.18 135.00 139.38 2r2e s PRO 40 Ca 0.10 2.05 -0.35 0.00 0.02 0.00 0.00 61.00 62.81 2r2e s PRO 40 Cb -0.13 -1.85 -0.16 0.00 0.02 0.00 0.00 34.50 32.37 2r2e s PRO 40 CO -0.30 -1.57 1.34 -2.30 -0.33 0.00 0.00 177.00 173.84 2r2e n PRO 41 N -1.89 1.32 -0.99 5.54 -0.02 -1.26 -0.66 135.00 137.04 2r2e n PRO 41 Ca 0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2r2e n PRO 41 Cb 0.48 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2r2e n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2e n GLY 42 N 2.53 0.15 3.84 -1.23 0.00 -1.26 -4.98 105.19 104.24 2r2e n GLY 42 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2r2e n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r2e s LYS 43 N -1.38 2.23 0.50 1.61 1.02 0.17 -5.12 119.74 118.76 2r2e s LYS 43 Ca 0.00 -2.13 -0.20 0.00 0.02 0.00 0.00 55.97 53.66 2r2e s LYS 43 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2r2e s LYS 43 CO 0.00 -0.48 1.03 0.00 -0.92 0.00 0.00 175.35 174.98 2r2e s ALA 44 N -2.79 2.87 0.31 5.17 0.00 -1.26 -4.69 121.76 121.38 2r2e s ALA 44 Ca 0.25 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 2r2e s ALA 44 Cb -0.00 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 2r2e s ALA 44 CO 0.15 -0.34 1.38 1.28 0.00 0.00 0.00 175.76 178.24 2r2e n LEU 45 N -1.09 3.66 -3.74 0.00 4.77 -1.26 -4.35 117.00 114.98 2r2e n LEU 45 Ca 0.09 1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 56.99 2r2e n LEU 45 Cb 0.53 -1.50 -0.17 0.00 -2.33 0.00 0.00 43.42 39.95 2r2e n LEU 45 CO 0.40 -0.34 -0.37 -0.70 -1.33 0.00 0.00 177.39 175.06 2r2e s GLU 46 N -1.30 0.62 0.25 3.23 2.12 0.19 -4.97 118.70 118.84 2r2e s GLU 46 Ca 0.60 -0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 2r2e s GLU 46 Cb -0.57 -1.73 -0.09 0.00 0.26 0.00 0.00 34.13 32.00 2r2e s GLU 46 CO 0.57 -0.53 1.24 -0.46 -0.54 0.00 0.00 175.26 175.54 2r2e s TRP 47 N 1.91 3.31 -0.07 5.30 -0.00 -1.26 -0.04 118.94 128.08 2r2e s TRP 47 Ca 0.01 1.43 0.05 0.00 -0.00 0.00 0.00 56.10 57.59 2r2e s TRP 47 Cb -0.15 -3.52 -0.08 0.00 -0.00 0.00 0.00 33.47 29.72 2r2e s TRP 47 CO -0.07 -1.43 -0.00 1.28 -0.00 0.00 0.00 176.95 176.73 2r2e n LEU 48 N 1.75 0.72 0.00 5.86 4.77 -0.49 -4.71 117.00 124.91 2r2e n LEU 48 Ca 0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2r2e n LEU 48 Cb 0.43 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2r2e n LEU 48 CO 0.57 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2r2e n GLY 49 N 2.70 2.31 3.21 -0.72 0.00 -1.23 -0.28 105.19 111.18 2r2e n GLY 49 Ca -0.12 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2r2e n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r2e s PHE 50 N -2.00 1.12 -0.09 1.61 -0.12 -0.13 -1.73 117.98 116.64 2r2e s PHE 50 Ca 0.00 -1.20 0.02 0.00 -0.05 0.00 0.00 56.93 55.70 2r2e s PHE 50 Cb 0.00 -0.62 0.01 0.00 -0.63 0.00 0.00 43.02 41.78 2r2e s PHE 50 CO 0.00 -0.43 -0.14 -1.50 -0.05 0.00 0.00 175.22 173.10 2r2e s ILE 51 N -3.92 1.36 1.13 -4.49 2.07 -0.53 -1.61 121.20 115.21 2r2e s ILE 51 Ca 0.29 -0.58 -0.17 0.00 -1.41 0.00 0.00 60.65 58.79 2r2e s ILE 51 Cb 0.07 -1.25 0.25 0.00 0.13 0.00 0.00 42.46 41.66 2r2e s ILE 51 CO 0.06 0.41 1.11 -0.13 -1.91 0.00 0.00 174.94 174.49 2r2e s ARG 52 N 0.90 -0.62 0.78 3.50 0.52 0.14 -1.74 118.95 122.43 2r2e s ARG 52 Ca -0.09 0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.11 2r2e s ARG 52 Cb -0.15 -1.65 0.18 0.00 0.52 0.00 0.00 34.95 33.84 2r2e s ARG 52 CO 0.00 -3.35 1.07 0.27 0.02 0.00 0.00 175.30 173.31 2r2e n ASN 52 N -4.53 0.35 -0.25 0.23 0.23 -1.26 -3.96 115.26 106.07 2r2e n ASN 52 Ca 0.10 -1.55 -0.07 0.00 -0.53 0.00 0.00 54.58 52.53 2r2e n ASN 52 Cb 0.59 -0.79 0.04 0.00 -2.08 0.00 0.00 39.78 37.54 2r2e n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2r2e h LYS 52 N 0.00 1.09 -0.91 -3.83 3.64 -1.52 0.47 116.57 115.51 2r2e h LYS 52 Ca -0.35 -0.26 0.16 0.00 -1.27 0.00 0.00 60.65 58.93 2r2e h LYS 52 Cb 1.02 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.62 2r2e h LYS 52 CO 0.27 0.97 0.58 0.00 -2.27 0.00 0.00 179.45 179.00 2r2e h ALA 52 N 1.08 1.90 -0.67 5.00 0.00 -1.94 -1.30 119.26 123.33 2r2e h ALA 52 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2r2e h ALA 52 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2r2e h ALA 52 CO 0.00 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.18 2r2e n ASN 52 N -4.57 4.69 -0.53 0.00 3.02 -0.93 -4.97 115.26 111.98 2r2e n ASN 52 Ca 0.18 -2.39 -0.07 0.00 -0.03 0.00 0.00 54.58 52.28 2r2e n ASN 52 Cb 0.53 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 2r2e n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r2e n GLY 52 N 1.21 0.91 3.22 7.41 0.00 -0.45 -3.72 105.19 113.77 2r2e n GLY 52 Ca 0.26 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2r2e n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r2e n TYR 53 N -2.78 -2.09 -2.69 1.61 4.01 0.03 -4.98 117.16 110.26 2r2e n TYR 53 Ca -0.07 0.61 -0.34 0.00 -0.16 0.00 0.00 57.90 57.94 2r2e n TYR 53 Cb 0.24 -4.27 -0.05 0.00 -0.31 0.00 0.00 39.34 34.94 2r2e n TYR 53 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2r2e s THR 54 N -3.16 4.09 0.11 -0.72 -4.23 -1.24 -4.48 115.64 106.00 2r2e s THR 54 Ca 0.39 1.35 0.03 0.00 -1.18 0.00 0.00 61.69 62.27 2r2e s THR 54 Cb -0.18 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 2r2e s THR 54 CO 0.48 -0.24 0.13 0.42 -0.54 0.00 0.00 174.62 174.87 2r2e s THR 55 N -2.03 4.68 0.01 3.99 -4.23 -1.26 0.25 115.64 117.05 2r2e s THR 55 Ca 0.63 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2r2e s THR 55 Cb -0.13 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 2r2e s THR 55 CO 0.17 0.03 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.65 2r2e s GLU 56 N -2.70 0.23 0.11 3.99 0.41 -0.63 -5.00 118.70 115.11 2r2e s GLU 56 Ca 0.31 -0.25 0.06 0.00 -0.41 0.00 0.00 54.97 54.68 2r2e s GLU 56 Cb -0.11 -0.13 -0.04 0.00 -1.78 0.00 0.00 34.13 32.07 2r2e s GLU 56 CO 0.24 0.03 -0.16 0.71 -0.49 0.00 0.00 175.26 175.59 2r2e s TYR 57 N -0.46 1.47 0.37 1.61 2.02 -1.26 -0.95 117.35 120.15 2r2e s TYR 57 Ca -0.04 -0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 55.93 2r2e s TYR 57 Cb -0.04 -0.78 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 2r2e s TYR 57 CO -0.00 0.15 0.96 -1.54 -1.57 0.00 0.00 175.55 173.55 2r2e s SER 58 N -2.20 7.11 0.59 2.29 1.04 0.62 -4.87 113.70 118.28 2r2e s SER 58 Ca 0.06 1.80 0.29 0.00 0.48 0.00 0.00 55.95 58.59 2r2e s SER 58 Cb -0.07 -2.56 1.44 0.00 0.10 0.00 0.00 66.02 64.93 2r2e s SER 58 CO 0.03 -0.24 1.85 -0.65 0.98 0.00 0.00 173.24 175.22 2r2e h PRO 59 N 2.60 0.00 0.00 4.02 0.11 -1.94 -0.70 132.00 136.09 2r2e h PRO 59 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2r2e h PRO 59 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2r2e h PRO 59 CO 0.63 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.08 2r2e h SER 60 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.32 113.55 110.88 2r2e h SER 60 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2r2e h SER 60 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2r2e h SER 60 CO -0.00 0.00 -0.21 1.33 -0.87 0.00 0.00 176.83 177.08 2r2e n VAL 61 N -2.82 0.00 -1.67 0.95 0.24 -0.74 -5.02 118.33 109.27 2r2e n VAL 61 Ca 0.01 -0.10 -0.47 0.00 -2.04 0.00 0.00 64.34 61.74 2r2e n VAL 61 Cb 0.28 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.19 2r2e n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2r2e n LYS 62 N -0.51 2.27 0.00 7.34 4.81 -0.35 -0.62 118.16 131.11 2r2e n LYS 62 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2r2e n LYS 62 Cb 0.00 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.33 2r2e n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r2e n GLY 63 N 4.50 1.81 0.00 3.14 0.00 -1.26 -4.87 105.19 108.52 2r2e n GLY 63 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 2r2e n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r2e n ARG 64 N -1.32 0.03 -3.81 1.61 1.74 0.21 -5.04 116.66 110.08 2r2e n ARG 64 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2r2e n ARG 64 Cb 0.00 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 2r2e n ARG 64 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2r2e s PHE 65 N -2.01 3.50 -0.05 -1.55 0.40 -0.48 -1.97 117.98 115.82 2r2e s PHE 65 Ca -0.01 0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2r2e s PHE 65 Cb 0.00 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.71 2r2e s PHE 65 CO 0.01 0.50 -0.05 0.99 0.70 0.00 0.00 175.22 177.38 2r2e s THR 66 N -1.63 0.56 -0.17 0.64 2.01 0.59 -4.82 115.64 112.82 2r2e s THR 66 Ca 0.37 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2r2e s THR 66 Cb -0.12 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 2r2e s THR 66 CO 0.27 0.24 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 2r2e s ILE 67 N 1.01 5.43 0.17 1.82 1.01 -1.26 -0.19 121.20 129.19 2r2e s ILE 67 Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 2r2e s ILE 67 Cb -0.14 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2r2e s ILE 67 CO -0.00 0.51 0.14 -0.94 0.00 0.00 0.00 174.94 174.64 2r2e s SER 68 N -0.18 0.19 0.02 3.58 1.04 -0.97 -4.98 113.70 112.40 2r2e s SER 68 Ca 0.11 -1.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 2r2e s SER 68 Cb -0.11 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2r2e s SER 68 CO 0.00 -0.82 -0.00 0.00 0.98 0.00 0.00 173.24 173.40 2r2e s ARG 69 N -4.08 0.31 -0.39 4.02 1.70 -1.26 -1.01 118.95 118.22 2r2e s ARG 69 Ca 0.29 -0.52 -0.05 0.00 -0.47 0.00 0.00 55.73 54.98 2r2e s ARG 69 Cb 0.06 0.11 0.08 0.00 -0.57 0.00 0.00 34.95 34.64 2r2e s ARG 69 CO 0.06 -0.05 0.19 0.34 -1.08 0.00 0.00 175.30 174.76 2r2e s ASP 70 N -1.31 5.36 0.18 -2.89 -1.08 0.20 -4.96 116.67 112.16 2r2e s ASP 70 Ca -0.14 -1.65 0.26 0.00 -0.52 0.00 0.00 52.55 50.49 2r2e s ASP 70 Cb -0.09 -1.88 0.89 0.00 -1.46 0.00 0.00 42.92 40.39 2r2e s ASP 70 CO -0.01 -0.49 1.78 0.59 0.52 0.00 0.00 175.17 177.57 2r2e n ASN 71 N 4.74 0.65 -0.13 -0.34 5.03 -1.26 -0.35 115.26 123.60 2r2e n ASN 71 Ca -0.08 0.58 -0.10 0.00 0.87 0.00 0.00 54.58 55.85 2r2e n ASN 71 Cb 0.42 -0.75 -0.02 0.00 -1.02 0.00 0.00 39.78 38.42 2r2e n ASN 71 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2r2e h SER 72 N 0.00 0.67 -0.05 6.41 0.02 -1.97 -3.36 113.55 115.27 2r2e h SER 72 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2r2e h SER 72 Cb 0.63 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2r2e h SER 72 CO 0.00 0.81 0.00 0.00 -1.14 0.00 0.00 176.83 176.50 2r2e n GLN 73 N -4.47 0.60 -3.54 3.45 6.02 -1.10 -5.01 117.38 113.33 2r2e n GLN 73 Ca -0.01 -1.10 -0.19 0.00 -0.01 0.00 0.00 57.00 55.68 2r2e n GLN 73 Cb 0.28 -1.13 0.07 0.00 1.02 0.00 0.00 30.24 30.48 2r2e n GLN 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2r2e n SER 74 N 0.31 -2.08 -4.24 1.08 7.64 0.52 -4.71 113.62 112.13 2r2e n SER 74 Ca 0.05 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.94 2r2e n SER 74 Cb 0.21 -4.75 -0.16 0.00 -1.01 0.00 0.00 64.21 58.50 2r2e n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r2e s ILE 75 N -3.46 1.92 -0.03 0.44 1.01 -0.82 -1.76 121.20 118.50 2r2e s ILE 75 Ca 0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 2r2e s ILE 75 Cb -0.02 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2r2e s ILE 75 CO 0.76 0.54 0.02 -0.22 0.00 0.00 0.00 174.94 176.04 2r2e s LEU 76 N -0.17 3.64 0.03 2.97 2.96 -0.25 0.60 118.68 128.46 2r2e s LEU 76 Ca -0.02 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2r2e s LEU 76 Cb -0.13 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2r2e s LEU 76 CO 0.03 0.32 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.92 2r2e s TYR 77 N -1.04 1.25 -0.22 5.38 2.02 -0.18 0.57 117.35 125.12 2r2e s TYR 77 Ca 0.18 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2r2e s TYR 77 Cb -0.12 -0.75 0.06 0.00 -0.40 0.00 0.00 41.96 40.75 2r2e s TYR 77 CO 0.08 0.03 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.88 2r2e s LEU 78 N -1.06 2.30 -0.13 -1.29 2.96 -0.02 -2.29 118.68 119.15 2r2e s LEU 78 Ca 0.02 -1.09 -0.22 0.00 -0.22 0.00 0.00 54.13 52.61 2r2e s LEU 78 Cb -0.08 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 2r2e s LEU 78 CO 0.01 -0.24 0.68 -1.58 -1.32 0.00 0.00 176.35 173.90 2r2e s GLN 79 N 1.48 4.34 -0.14 1.98 2.00 0.74 -0.38 119.66 129.67 2r2e s GLN 79 Ca -0.05 0.78 0.01 0.00 -2.00 0.00 0.00 55.36 54.11 2r2e s GLN 79 Cb -0.18 -3.51 0.02 0.00 0.80 0.00 0.00 33.01 30.14 2r2e s GLN 79 CO -0.07 -0.08 -0.17 -1.64 -0.50 0.00 0.00 175.29 172.83 2r2e s MET 80 N 1.33 2.54 0.32 1.67 -1.94 -0.06 -0.30 119.30 122.87 2r2e s MET 80 Ca 0.34 -0.67 0.10 0.00 -1.71 0.00 0.00 55.69 53.75 2r2e s MET 80 Cb -0.17 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.43 2r2e s MET 80 CO 0.14 -0.13 -0.06 -0.80 -0.01 0.00 0.00 175.02 174.16 2r2e s ASN 81 N 1.16 3.98 -1.25 3.03 0.01 -0.83 -0.73 114.94 120.31 2r2e s ASN 81 Ca -0.01 -1.02 -0.22 0.00 -0.71 0.00 0.00 52.86 50.90 2r2e s ASN 81 Cb -0.14 -0.47 0.02 0.00 0.41 0.00 0.00 41.25 41.07 2r2e s ASN 81 CO -0.06 -0.16 0.62 0.41 -1.51 0.00 0.00 177.10 176.39 2r2e n THR 82 N -0.85 -3.70 -2.35 1.60 -1.04 -1.14 -4.80 114.28 102.00 2r2e n THR 82 Ca -0.05 -0.71 -0.39 0.00 -2.04 0.00 0.00 64.05 60.86 2r2e n THR 82 Cb 0.62 -2.93 -0.03 0.00 -1.82 0.00 0.00 70.33 66.16 2r2e n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2r2e s LEU 82 N -7.05 4.35 0.32 -4.42 1.43 -0.27 -4.69 118.68 108.35 2r2e s LEU 82 Ca 0.37 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.85 2r2e s LEU 82 Cb -0.17 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 2r2e s LEU 82 CO 0.93 -0.45 0.09 -0.13 0.23 0.00 0.00 176.35 177.01 2r2e s ARG 83 N -1.95 1.62 0.31 1.70 1.81 -1.26 0.15 118.95 121.33 2r2e s ARG 83 Ca 0.51 -1.91 0.07 0.00 -1.72 0.00 0.00 55.73 52.69 2r2e s ARG 83 Cb -0.32 -0.59 0.88 0.00 -0.45 0.00 0.00 34.95 34.48 2r2e s ARG 83 CO 0.41 -0.28 1.64 0.00 -0.68 0.00 0.00 175.30 176.38 2r2e h ALA 84 N 2.16 1.55 -0.09 2.13 0.00 -1.97 -0.24 119.26 122.79 2r2e h ALA 84 Ca -0.39 0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2r2e h ALA 84 Cb 1.25 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2r2e h ALA 84 CO 0.64 -0.55 0.15 1.05 0.00 0.00 0.00 179.25 180.54 2r2e h GLU 85 N 0.21 0.00 -0.01 0.00 4.11 -1.97 -2.23 114.58 114.69 2r2e h GLU 85 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 2r2e h GLU 85 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2r2e h GLU 85 CO -0.68 0.00 -0.16 -0.25 0.07 0.00 0.00 179.01 178.00 2r2e n ASP 86 N -3.50 0.90 -4.61 3.06 10.43 -0.10 -4.82 116.55 117.91 2r2e n ASP 86 Ca -0.01 -0.90 -0.43 0.00 2.57 0.00 0.00 54.79 56.03 2r2e n ASP 86 Cb 0.25 0.04 -0.03 0.00 1.84 0.00 0.00 41.12 43.22 2r2e n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2r2e s SER 87 N -2.39 5.99 0.09 -2.24 0.01 -0.84 -4.86 113.70 109.47 2r2e s SER 87 Ca 0.29 1.66 -0.27 0.00 1.31 0.00 0.00 55.95 58.94 2r2e s SER 87 Cb 0.20 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.98 2r2e s SER 87 CO 0.47 -1.57 0.94 0.00 0.41 0.00 0.00 173.24 173.49 2r2e s ALA 88 N 6.46 -1.74 0.00 1.44 0.00 -0.77 -4.35 121.76 122.81 2r2e s ALA 88 Ca 0.83 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 2r2e s ALA 88 Cb -0.27 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2r2e s ALA 88 CO 0.33 -0.91 0.90 0.99 0.00 0.00 0.00 175.76 177.07 2r2e s THR 89 N -3.20 4.85 -0.21 0.00 2.01 -0.33 -0.68 115.64 118.09 2r2e s THR 89 Ca 0.10 1.89 -0.04 0.00 0.31 0.00 0.00 61.69 63.95 2r2e s THR 89 Cb -0.01 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2r2e s THR 89 CO -0.02 0.22 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.78 2r2e s TYR 90 N 0.74 2.97 -0.04 4.92 1.51 0.06 -0.80 117.35 126.72 2r2e s TYR 90 Ca 0.47 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2r2e s TYR 90 Cb -0.21 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2r2e s TYR 90 CO 0.26 -0.43 -0.01 0.71 -1.11 0.00 0.00 175.55 174.97 2r2e s TYR 91 N 1.26 3.09 -0.11 2.71 2.02 0.10 -1.36 117.35 125.05 2r2e s TYR 91 Ca 0.03 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.76 2r2e s TYR 91 Cb -0.14 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2r2e s TYR 91 CO -0.01 0.45 0.18 0.00 -1.57 0.00 0.00 175.55 174.60 2r2e s ALA 93 N -0.87 1.53 -0.45 0.00 0.00 0.32 -1.64 121.76 120.66 2r2e s ALA 93 Ca 0.16 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 2r2e s ALA 93 Cb -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2r2e s ALA 93 CO 0.05 0.29 1.41 0.50 0.00 0.00 0.00 175.76 178.01 2r2e s ARG 94 N -0.04 3.51 0.00 0.00 3.52 0.89 -1.45 118.95 125.38 2r2e s ARG 94 Ca -0.02 0.82 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2r2e s ARG 94 Cb -0.11 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 2r2e s ARG 94 CO 0.02 -1.65 0.00 -3.47 -0.81 0.00 0.00 175.30 169.39 2r2e n ASP 95 N 8.98 0.00 -4.67 -2.12 4.64 -0.14 -3.80 116.55 119.45 2r2e n ASP 95 Ca 0.16 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.19 2r2e n ASP 95 Cb 0.48 0.00 0.05 0.00 -1.04 0.00 0.00 41.12 40.62 2r2e n ASP 95 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 2r2e n HIS 96 N 0.00 1.44 -1.68 -0.67 -0.00 -1.26 -4.47 115.22 108.59 2r2e n HIS 96 Ca 0.00 0.44 0.06 0.00 -0.00 0.00 0.00 57.72 58.22 2r2e n HIS 96 Cb 0.00 -2.23 0.11 0.00 -0.00 0.00 0.00 29.99 27.87 2r2e n HIS 96 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2r2e n ASP 97 N -1.01 1.43 0.00 0.26 5.75 -1.25 -0.51 116.55 121.22 2r2e n ASP 97 Ca 0.13 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 2r2e n ASP 97 Cb 0.46 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2r2e n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r2e n GLY 98 N -0.69 1.59 1.27 6.12 0.00 -1.26 -4.72 105.19 107.50 2r2e n GLY 98 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2r2e n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r2e n TYR 99 N 0.00 -0.17 -1.90 1.61 4.02 -1.26 -5.09 117.16 114.37 2r2e n TYR 99 Ca 0.00 0.03 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 2r2e n TYR 99 Cb 0.00 0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 2r2e n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2r2e s TYR 100 N -2.00 1.72 -0.90 -0.72 2.02 -1.26 -5.00 117.35 111.21 2r2e s TYR 100 Ca 0.00 0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.91 2r2e s TYR 100 Cb 0.00 -4.02 0.22 0.00 -0.40 0.00 0.00 41.96 37.76 2r2e s TYR 100 CO 0.00 -3.91 0.80 -1.21 -1.57 0.00 0.00 175.55 169.66 2r2e s GLU 100 N 4.83 3.39 0.20 -0.62 0.41 -1.26 -3.84 118.70 121.81 2r2e s GLU 100 Ca 0.81 -3.12 -0.23 0.00 -0.41 0.00 0.00 54.97 52.02 2r2e s GLU 100 Cb -0.32 -4.08 0.05 0.00 -1.78 0.00 0.00 34.13 28.01 2r2e s GLU 100 CO 0.33 -1.25 0.90 -0.98 -0.49 0.00 0.00 175.26 173.77 2r2e s ARG 100 N -1.07 1.41 -0.72 1.61 1.70 -1.26 -5.11 118.95 115.51 2r2e s ARG 100 Ca 0.26 -0.80 0.03 0.00 -0.47 0.00 0.00 55.73 54.75 2r2e s ARG 100 Cb -0.10 0.47 0.18 0.00 -0.57 0.00 0.00 34.95 34.93 2r2e s ARG 100 CO -0.10 -0.65 0.53 -0.06 -1.08 0.00 0.00 175.30 173.94 2r2e s PHE 100 N -3.30 3.60 0.22 5.89 2.99 -1.26 -4.22 117.98 121.89 2r2e s PHE 100 Ca 0.13 -3.23 0.18 0.00 0.00 0.00 0.00 56.93 54.00 2r2e s PHE 100 Cb -0.03 -2.86 0.68 0.00 0.00 0.00 0.00 43.02 40.82 2r2e s PHE 100 CO 0.04 -0.62 1.75 0.66 -0.00 0.00 0.00 175.22 177.05 2r2e h SER 100 N 5.72 0.00 -3.23 1.36 4.64 -1.91 -3.43 113.55 116.69 2r2e h SER 100 Ca 0.12 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.96 2r2e h SER 100 Cb 0.79 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.51 2r2e h SER 100 CO 0.75 0.39 -0.78 -0.31 -0.87 0.00 0.00 176.83 176.00 2r2e s TYR 100 N -3.70 1.03 0.21 4.77 2.02 -1.26 -5.06 117.35 115.37 2r2e s TYR 100 Ca -0.01 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.37 2r2e s TYR 100 Cb 0.12 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 2r2e s TYR 100 CO 0.69 -0.40 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.56 2r2e s TRP 101 N 1.79 2.51 0.72 2.71 0.52 -1.26 -0.08 118.94 125.87 2r2e s TRP 101 Ca 0.04 -0.27 -0.09 0.00 0.02 0.00 0.00 56.10 55.80 2r2e s TRP 101 Cb -0.12 -1.19 0.16 0.00 -1.15 0.00 0.00 33.47 31.17 2r2e s TRP 101 CO -0.06 0.56 0.99 0.41 0.02 0.00 0.00 176.95 178.87 2r2e n GLY 102 N -0.17 -0.77 0.20 0.98 0.00 -0.65 -4.79 105.19 99.98 2r2e n GLY 102 Ca -0.10 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.21 2r2e n GLY 102 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2r2e h GLN 103 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.46 115.11 111.35 2r2e h GLN 103 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2r2e h GLN 103 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 2r2e h GLN 103 CO 0.26 0.27 0.00 0.41 -0.00 0.00 0.00 178.83 179.77 2r2e n GLY 104 N 0.54 1.89 2.98 0.06 0.00 -1.26 -5.02 105.19 104.38 2r2e n GLY 104 Ca 0.01 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 2r2e n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2r2e s THR 105 N -2.26 1.01 -0.07 2.61 -1.32 -0.46 -4.85 115.64 110.30 2r2e s THR 105 Ca 0.00 -0.38 -0.24 0.00 -1.21 0.00 0.00 61.69 59.86 2r2e s THR 105 Cb 0.00 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 2r2e s THR 105 CO 0.00 0.34 0.72 -0.22 -2.21 0.00 0.00 174.62 173.25 2r2e s LEU 106 N 0.89 4.30 -0.12 9.08 2.96 -1.26 -0.76 118.68 133.78 2r2e s LEU 106 Ca -0.11 1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 2r2e s LEU 106 Cb -0.15 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2r2e s LEU 106 CO 0.01 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 2r2e s VAL 107 N 0.94 3.18 -0.13 1.68 1.01 0.15 -1.99 120.40 125.24 2r2e s VAL 107 Ca 0.38 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2r2e s VAL 107 Cb -0.18 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2r2e s VAL 107 CO 0.18 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.72 2r2e s THR 108 N 0.19 2.32 -0.39 3.92 2.01 -0.84 -1.84 115.64 121.01 2r2e s THR 108 Ca -0.07 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 2r2e s THR 108 Cb -0.15 -1.93 0.09 0.00 0.01 0.00 0.00 72.50 70.51 2r2e s THR 108 CO 0.05 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 174.00 2r2e s VAL 109 N 0.60 3.51 0.02 3.82 1.01 -1.26 -0.90 120.40 127.20 2r2e s VAL 109 Ca -0.11 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 2r2e s VAL 109 Cb -0.16 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.01 2r2e s VAL 109 CO 0.03 -0.50 0.35 -0.55 0.00 0.00 0.00 175.10 174.43 2r2e s SER 110 N 1.78 -0.21 0.15 3.32 0.15 0.32 -4.50 113.70 114.71 2r2e s SER 110 Ca 0.04 -0.03 0.25 0.00 0.70 0.00 0.00 55.95 56.91 2r2e s SER 110 Cb -0.22 0.37 0.60 0.00 -1.71 0.00 0.00 66.02 65.06 2r2e s SER 110 CO -0.02 -0.58 1.55 0.00 1.20 0.00 0.00 173.24 175.39 2r2e n ALA 111 N 0.76 2.64 -1.07 5.45 0.00 -1.26 -3.96 120.51 123.07 2r2e n ALA 111 Ca -0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 2r2e n ALA 111 Cb 0.58 -1.31 0.12 0.00 0.00 0.00 0.00 19.45 18.84 2r2e n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r2e s ALA 112 N -3.12 1.95 0.08 0.00 0.00 -1.26 -5.03 121.76 114.37 2r2e s ALA 112 Ca 0.09 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2r2e s ALA 112 Cb 0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2r2e s ALA 112 CO 0.66 -2.14 0.27 0.21 0.00 0.00 0.00 175.76 174.76 2r2e s LYS 113 N -4.63 3.52 0.25 0.00 2.20 -1.26 -5.03 119.74 114.79 2r2e s LYS 113 Ca 0.65 -0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.68 2r2e s LYS 113 Cb -0.21 -2.98 -0.11 0.00 -1.51 0.00 0.00 37.83 33.02 2r2e s LYS 113 CO 0.54 0.56 1.61 0.99 -0.36 0.00 0.00 175.35 178.70 2r2e s THR 114 N -1.54 2.18 -0.04 3.43 2.01 -1.26 -4.69 115.64 115.73 2r2e s THR 114 Ca 0.36 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 2r2e s THR 114 Cb -0.13 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.32 2r2e s THR 114 CO 0.25 0.02 0.05 -0.89 -0.69 0.00 0.00 174.62 173.37 2r2e s THR 115 N 0.44 -0.10 0.62 -0.82 2.01 0.43 -4.94 115.64 113.29 2r2e s THR 115 Ca 0.67 0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.93 2r2e s THR 115 Cb -0.47 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2r2e s THR 115 CO 0.41 0.16 1.04 -2.16 -0.69 0.00 0.00 174.62 173.38 2r2e s PRO 116 N 1.97 3.39 0.60 4.92 0.04 -1.26 -1.11 135.00 143.55 2r2e s PRO 116 Ca 0.02 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 2r2e s PRO 116 Cb -0.12 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2r2e s PRO 116 CO -0.03 -0.73 1.06 -1.25 0.04 0.00 0.00 177.00 176.09 2r2e s PRO 117 N -4.78 3.28 -0.13 0.56 0.04 -1.26 -4.43 135.00 128.28 2r2e s PRO 117 Ca 0.58 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 2r2e s PRO 117 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2r2e s PRO 117 CO 0.48 -0.84 0.23 -1.12 0.04 0.00 0.00 177.00 175.79 2r2e s SER 118 N -2.83 6.43 -0.21 6.66 0.01 -0.31 -4.93 113.70 118.53 2r2e s SER 118 Ca 0.63 0.50 -0.04 0.00 1.31 0.00 0.00 55.95 58.36 2r2e s SER 118 Cb -0.16 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2r2e s SER 118 CO 0.38 0.23 -0.04 -0.69 0.41 0.00 0.00 173.24 173.53 2r2e s VAL 119 N -0.18 3.47 -0.07 3.43 1.01 -1.26 -1.24 120.40 125.56 2r2e s VAL 119 Ca 0.15 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2r2e s VAL 119 Cb -0.13 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2r2e s VAL 119 CO 0.04 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 175.04 2r2e s TYR 120 N 1.24 2.27 0.38 5.22 2.02 0.33 -4.94 117.35 123.88 2r2e s TYR 120 Ca 0.03 -0.76 -0.25 0.00 -0.37 0.00 0.00 57.07 55.72 2r2e s TYR 120 Cb -0.14 -1.51 -0.09 0.00 -0.40 0.00 0.00 41.96 39.81 2r2e s TYR 120 CO -0.01 -0.27 1.04 -1.25 -1.57 0.00 0.00 175.55 173.49 2r2e s PRO 121 N 0.06 4.26 -0.44 -1.71 0.04 -1.26 0.35 135.00 136.30 2r2e s PRO 121 Ca -0.09 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 2r2e s PRO 121 Cb -0.15 -2.62 0.12 0.00 0.04 0.00 0.00 34.50 31.90 2r2e s PRO 121 CO 0.05 -0.06 0.22 -0.51 0.04 0.00 0.00 177.00 176.74 2r2e s LEU 122 N -2.49 5.14 -0.01 -3.56 1.43 0.36 -4.84 118.68 114.71 2r2e s LEU 122 Ca 0.56 -2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 51.43 2r2e s LEU 122 Cb -0.22 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2r2e s LEU 122 CO 0.28 -0.48 0.10 0.00 0.23 0.00 0.00 176.35 176.48 2r2e s ALA 123 N 0.86 3.66 0.52 4.21 0.00 -1.26 -1.77 121.76 127.97 2r2e s ALA 123 Ca 0.10 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 2r2e s ALA 123 Cb -0.22 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.19 2r2e s ALA 123 CO -0.04 0.70 1.13 -2.30 0.00 0.00 0.00 175.76 175.25 2r2e n PRO 124 N 1.15 1.37 0.00 0.00 -0.02 -1.26 -4.99 135.00 131.25 2r2e n PRO 124 Ca -0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2r2e n PRO 124 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2r2e n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2e n GLY 125 N 1.05 0.17 2.66 -1.23 0.00 -1.26 -4.95 105.19 101.63 2r2e n GLY 125 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2r2e n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2r2e n SER 126 N -0.47 -2.57 -4.25 1.61 7.64 -1.26 -5.14 113.62 109.17 2r2e n SER 126 Ca 0.00 -3.01 -0.14 0.00 1.01 0.00 0.00 58.87 56.73 2r2e n SER 126 Cb 0.00 1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 64.42 2r2e n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r2e s ALA 127 N 0.51 1.45 -1.52 -0.43 0.00 -1.26 -5.07 121.76 115.44 2r2e s ALA 127 Ca 0.32 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2r2e s ALA 127 Cb 0.12 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2r2e s ALA 127 CO -0.15 -0.18 0.52 0.00 0.00 0.00 0.00 175.76 175.94 2r2e n ALA 128 N -0.23 1.18 -0.94 0.00 0.00 -1.26 -4.82 120.51 114.44 2r2e n ALA 128 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 2r2e n ALA 128 Cb 0.62 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 2r2e n ALA 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2r2e n GLN 129 N -1.02 -1.02 0.00 0.00 7.27 -1.26 -4.67 117.38 116.68 2r2e n GLN 129 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.22 2r2e n GLN 129 Cb 0.02 -0.07 0.67 0.00 2.41 0.00 0.00 30.24 33.27 2r2e n GLN 129 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2r2e n THR 130 N -0.25 0.00 -0.12 1.69 5.66 -1.26 -4.37 114.28 115.63 2r2e n THR 130 Ca 0.00 -0.11 0.02 0.00 -3.05 0.00 0.00 64.05 60.90 2r2e n THR 130 Cb 0.01 0.02 0.31 0.00 -1.55 0.00 0.00 70.33 69.12 2r2e n THR 130 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2r2e h ASN 131 N 1.07 0.69 0.00 1.09 2.35 -2.01 -3.45 115.58 115.32 2r2e h ASN 131 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2r2e h ASN 131 Cb 0.31 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2r2e h ASN 131 CO 0.00 0.53 0.00 -0.24 -1.65 0.00 0.00 177.43 176.07 2r2e n SER 132 N -4.42 0.00 -3.85 5.81 2.88 -1.26 -5.03 113.62 107.75 2r2e n SER 132 Ca 0.06 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.35 2r2e n SER 132 Cb 0.07 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.35 2r2e n SER 132 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2r2e s MET 133 N -0.69 1.12 -0.11 -1.46 -1.94 -1.26 -1.70 119.30 113.26 2r2e s MET 133 Ca 0.00 -0.10 -0.02 0.00 -1.71 0.00 0.00 55.69 53.86 2r2e s MET 133 Cb 0.00 -1.30 -0.03 0.00 2.01 0.00 0.00 34.83 35.51 2r2e s MET 133 CO 0.00 -0.27 -0.03 0.54 -0.01 0.00 0.00 175.02 175.25 2r2e s VAL 134 N 1.77 4.02 -0.19 -6.03 0.11 0.57 -4.78 120.40 115.86 2r2e s VAL 134 Ca 0.04 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 2r2e s VAL 134 Cb -0.13 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 2r2e s VAL 134 CO -0.06 0.56 0.08 -0.89 -3.33 0.00 0.00 175.10 171.46 2r2e s THR 135 N -0.39 4.94 0.45 5.04 2.01 -1.26 -1.17 115.64 125.26 2r2e s THR 135 Ca 0.07 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.13 2r2e s THR 135 Cb -0.12 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2r2e s THR 135 CO 0.02 0.45 0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 2r2e s LEU 136 N 0.42 2.54 0.27 4.42 1.43 0.65 -4.68 118.68 123.74 2r2e s LEU 136 Ca 0.04 -1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 51.49 2r2e s LEU 136 Cb -0.12 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.35 2r2e s LEU 136 CO -0.00 -0.66 0.55 -0.83 0.23 0.00 0.00 176.35 175.65 2r2e s GLY 137 N -3.76 0.46 -0.01 -3.19 0.00 -0.73 -0.78 107.32 99.30 2r2e s GLY 137 Ca 0.22 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.16 2r2e s GLY 137 CO 0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 173.10 172.64 2r2e s LEU 139 N 0.14 3.84 -0.41 0.00 2.96 0.16 -2.38 118.68 122.99 2r2e s LEU 139 Ca -0.01 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2r2e s LEU 139 Cb -0.06 -2.03 0.10 0.00 0.50 0.00 0.00 46.19 44.71 2r2e s LEU 139 CO -0.00 0.03 0.21 -0.69 -1.32 0.00 0.00 176.35 174.58 2r2e s VAL 140 N 1.23 3.47 -0.04 1.68 1.01 0.67 -0.51 120.40 127.91 2r2e s VAL 140 Ca 0.06 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.21 2r2e s VAL 140 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2r2e s VAL 140 CO 0.05 -0.62 -0.22 -0.75 0.00 0.00 0.00 175.10 173.56 2r2e s LYS 141 N 1.21 2.11 -0.61 2.72 2.20 -0.37 0.71 119.74 127.69 2r2e s LYS 141 Ca 0.06 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2r2e s LYS 141 Cb -0.23 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.21 2r2e s LYS 141 CO -0.03 0.37 0.53 0.41 -0.36 0.00 0.00 175.35 176.26 2r2e n GLY 142 N 2.89 -0.13 3.33 5.54 0.00 0.15 -1.16 105.19 115.81 2r2e n GLY 142 Ca -0.17 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 2r2e n GLY 142 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r2e s TYR 143 N -3.21 1.74 -0.24 1.61 1.13 -0.52 -4.33 117.35 113.53 2r2e s TYR 143 Ca 0.15 -0.51 -0.22 0.00 -1.41 0.00 0.00 57.07 55.08 2r2e s TYR 143 Cb -0.02 -0.85 0.06 0.00 -1.10 0.00 0.00 41.96 40.05 2r2e s TYR 143 CO 0.40 0.32 0.64 0.12 -2.51 0.00 0.00 175.55 174.52 2r2e s PHE 144 N -2.34 -0.71 0.80 -3.49 5.36 -0.27 0.22 117.98 117.56 2r2e s PHE 144 Ca 0.17 1.71 -0.06 0.00 -0.96 0.00 0.00 56.93 57.79 2r2e s PHE 144 Cb -0.04 0.25 0.17 0.00 -0.34 0.00 0.00 43.02 43.06 2r2e s PHE 144 CO 0.06 -0.34 1.09 -0.35 -1.46 0.00 0.00 175.22 174.23 2r2e n PRO 145 N 2.77 -0.54 -1.41 10.12 -0.04 -1.26 -0.43 135.00 144.21 2r2e n PRO 145 Ca -0.14 -2.39 -0.33 0.00 -0.04 0.00 0.00 63.50 60.60 2r2e n PRO 145 Cb 0.56 -0.91 0.09 0.00 -0.04 0.00 0.00 33.50 33.20 2r2e n PRO 145 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2r2e s GLU 146 N -5.33 2.19 0.55 0.54 0.41 -1.26 -4.80 118.70 111.00 2r2e s GLU 146 Ca 0.68 1.56 0.08 0.00 -0.41 0.00 0.00 54.97 56.88 2r2e s GLU 146 Cb -0.03 -1.86 0.06 0.00 -1.78 0.00 0.00 34.13 30.52 2r2e s GLU 146 CO 0.46 -1.75 0.63 -1.25 -0.49 0.00 0.00 175.26 172.86 2r2e s PRO 147 N -4.17 2.33 0.28 0.39 0.04 -1.26 -4.91 135.00 127.70 2r2e s PRO 147 Ca 0.70 -1.74 0.10 0.00 0.04 0.00 0.00 61.00 60.09 2r2e s PRO 147 Cb -0.24 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 2r2e s PRO 147 CO 0.47 -0.71 -0.15 0.14 0.04 0.00 0.00 177.00 176.78 2r2e s VAL 148 N -2.68 2.22 -0.02 -0.36 -7.23 -1.26 -4.28 120.40 106.80 2r2e s VAL 148 Ca 0.51 -2.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2r2e s VAL 148 Cb -0.05 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2r2e s VAL 148 CO 0.32 -0.38 -0.23 0.42 -0.31 0.00 0.00 175.10 174.92 2r2e s THR 149 N -2.66 1.79 -0.09 5.32 -4.23 -0.84 -4.98 115.64 109.95 2r2e s THR 149 Ca 0.29 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2r2e s THR 149 Cb -0.02 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.36 2r2e s THR 149 CO 0.14 0.51 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.98 2r2e s VAL 150 N -0.53 0.75 0.35 2.29 1.01 -1.26 -2.02 120.40 120.99 2r2e s VAL 150 Ca 0.09 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2r2e s VAL 150 Cb -0.09 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 2r2e s VAL 150 CO -0.01 0.31 -0.07 0.42 0.00 0.00 0.00 175.10 175.75 2r2e s THR 151 N 1.61 2.13 -0.10 3.92 -4.23 -0.43 -4.99 115.64 113.56 2r2e s THR 151 Ca 0.01 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 2r2e s THR 151 Cb -0.13 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2r2e s THR 151 CO -0.05 -0.18 -0.14 0.26 -0.54 0.00 0.00 174.62 173.97 2r2e s TRP 152 N -2.67 1.85 -1.38 3.99 0.52 -1.26 -0.84 118.94 119.14 2r2e s TRP 152 Ca 0.33 -0.83 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 2r2e s TRP 152 Cb 0.04 -1.34 0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2r2e s TRP 152 CO 0.16 -0.43 0.61 0.09 0.02 0.00 0.00 176.95 177.40 2r2e n ASN 153 N 4.14 -1.19 -3.99 2.95 5.03 0.47 -1.72 115.26 120.95 2r2e n ASN 153 Ca -0.19 -0.90 -0.32 0.00 0.87 0.00 0.00 54.58 54.03 2r2e n ASN 153 Cb 0.51 -3.57 0.01 0.00 -1.02 0.00 0.00 39.78 35.71 2r2e n ASN 153 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2r2e n SER 154 N -2.99 -4.30 0.00 6.41 7.64 -1.26 -0.71 113.62 118.41 2r2e n SER 154 Ca -0.26 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2r2e n SER 154 Cb 0.66 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 2r2e n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r2e n GLY 155 N -1.56 1.49 0.28 0.23 0.00 -1.04 -4.91 105.19 99.68 2r2e n GLY 155 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2r2e n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2r2e h SER 156 N 0.00 0.70 -3.02 1.61 0.02 -0.85 -3.32 113.55 108.69 2r2e h SER 156 Ca 0.00 -0.19 -0.72 0.00 -0.84 0.00 0.00 61.79 60.05 2r2e h SER 156 Cb 0.00 -0.19 -0.21 0.00 0.14 0.00 0.00 62.40 62.14 2r2e h SER 156 CO 0.00 0.82 -0.01 -0.76 -1.14 0.00 0.00 176.83 175.74 2r2e s LEU 157 N -9.04 5.53 -0.12 5.07 1.43 -0.70 -4.83 118.68 116.02 2r2e s LEU 157 Ca -0.09 -1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 51.56 2r2e s LEU 157 Cb 0.14 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 2r2e s LEU 157 CO 0.81 -0.99 -0.12 -1.54 0.23 0.00 0.00 176.35 174.73 2r2e n SER 158 N 5.97 2.19 -4.77 2.29 3.41 -1.25 -4.08 113.62 117.39 2r2e n SER 158 Ca -0.10 0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.13 2r2e n SER 158 Cb 0.42 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2r2e n SER 158 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2r2e s SER 159 N -5.51 6.80 -0.80 4.04 0.01 -1.26 -3.69 113.70 113.28 2r2e s SER 159 Ca -0.16 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.62 2r2e s SER 159 Cb 0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2r2e s SER 159 CO 0.24 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2r2e n GLY 160 N 0.85 0.82 3.69 3.44 0.00 -1.26 -4.73 105.19 107.98 2r2e n GLY 160 Ca 0.01 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2r2e n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r2e s VAL 161 N -2.31 5.20 -0.20 1.61 1.01 -1.24 -1.47 120.40 122.99 2r2e s VAL 161 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2r2e s VAL 161 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2r2e s VAL 161 CO 0.00 0.43 -0.11 -1.00 0.00 0.00 0.00 175.10 174.42 2r2e s HIS 162 N 0.49 2.46 -0.19 5.22 3.76 0.02 -4.98 115.29 122.08 2r2e s HIS 162 Ca 0.06 -1.61 -0.05 0.00 -0.15 0.00 0.00 55.06 53.31 2r2e s HIS 162 Cb -0.12 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2r2e s HIS 162 CO -0.00 -0.75 0.00 0.99 -0.85 0.00 0.00 174.74 174.13 2r2e s THR 163 N 1.38 4.04 -0.22 1.30 2.01 -1.26 0.28 115.64 123.17 2r2e s THR 163 Ca -0.01 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 2r2e s THR 163 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2r2e s THR 163 CO -0.08 0.44 0.15 -0.36 -0.69 0.00 0.00 174.62 174.07 2r2e s PHE 164 N 0.86 3.37 0.13 4.92 0.08 0.36 -4.99 117.98 122.71 2r2e s PHE 164 Ca 0.01 0.29 -0.33 0.00 0.12 0.00 0.00 56.93 57.02 2r2e s PHE 164 Cb -0.14 -2.21 -0.18 0.00 -0.57 0.00 0.00 43.02 39.92 2r2e s PHE 164 CO 0.02 0.19 0.89 -2.30 -0.10 0.00 0.00 175.22 173.93 2r2e n PRO 165 N 3.84 0.34 -1.70 0.24 -0.02 -1.26 -3.96 135.00 132.48 2r2e n PRO 165 Ca -0.15 0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 2r2e n PRO 165 Cb 0.52 -1.44 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 2r2e n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r2e n ALA 166 N 0.92 1.21 -3.27 3.55 0.00 -1.26 -4.86 120.51 116.79 2r2e n ALA 166 Ca 0.18 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 2r2e n ALA 166 Cb 0.19 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.20 2r2e n ALA 166 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r2e s VAL 167 N -1.30 2.24 -0.30 0.00 1.01 -0.76 -4.95 120.40 116.34 2r2e s VAL 167 Ca 0.68 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 2r2e s VAL 167 Cb -0.45 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 2r2e s VAL 167 CO 0.52 0.55 0.75 -0.22 0.00 0.00 0.00 175.10 176.70 2r2e s LEU 168 N 0.43 4.10 -0.10 3.92 2.96 -1.26 -2.75 118.68 125.98 2r2e s LEU 168 Ca -0.15 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2r2e s LEU 168 Cb -0.17 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.53 2r2e s LEU 168 CO 0.07 -0.58 -0.05 -1.58 -1.32 0.00 0.00 176.35 172.88 2r2e s GLN 169 N 2.87 1.25 -1.10 1.98 2.00 -0.92 -4.88 119.66 120.86 2r2e s GLN 169 Ca 0.31 -0.15 -0.24 0.00 -2.00 0.00 0.00 55.36 53.28 2r2e s GLN 169 Cb -0.14 -1.40 0.03 0.00 0.80 0.00 0.00 33.01 32.29 2r2e s GLN 169 CO 0.12 -0.27 0.68 0.43 -0.50 0.00 0.00 175.29 175.75 2r2e n SER 170 N 4.99 -4.62 0.00 6.67 7.64 -1.26 -2.67 113.62 124.37 2r2e n SER 170 Ca -0.11 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.63 2r2e n SER 170 Cb 0.50 -2.06 0.00 0.00 -1.01 0.00 0.00 64.21 61.64 2r2e n SER 170 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2r2e n ASP 171 N -2.34 -3.10 -4.17 6.43 10.43 -1.26 -4.97 116.55 117.57 2r2e n ASP 171 Ca -0.15 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 56.98 2r2e n ASP 171 Cb 0.60 -2.14 -0.14 0.00 1.84 0.00 0.00 41.12 41.27 2r2e n ASP 171 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2r2e s LEU 172 N 0.00 2.11 0.40 0.64 1.43 -1.09 -4.79 118.68 117.39 2r2e s LEU 172 Ca 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2r2e s LEU 172 Cb 0.00 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2r2e s LEU 172 CO 0.00 0.13 0.68 -0.31 0.23 0.00 0.00 176.35 177.08 2r2e s TYR 173 N -0.64 3.52 -0.10 0.29 2.02 0.13 -2.16 117.35 120.40 2r2e s TYR 173 Ca 0.05 0.70 -0.07 0.00 -0.37 0.00 0.00 57.07 57.38 2r2e s TYR 173 Cb -0.07 -2.18 0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2r2e s TYR 173 CO 0.01 -0.07 0.26 0.99 -1.57 0.00 0.00 175.55 175.17 2r2e s THR 174 N -2.46 -0.02 0.25 -0.71 2.01 -1.11 0.32 115.64 113.93 2r2e s THR 174 Ca 0.45 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.55 2r2e s THR 174 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2r2e s THR 174 CO 0.38 0.03 0.16 -1.48 -0.69 0.00 0.00 174.62 173.02 2r2e s LEU 175 N 0.76 1.43 0.12 4.42 0.05 0.22 -1.83 118.68 123.85 2r2e s LEU 175 Ca -0.05 -1.50 -0.03 0.00 0.05 0.00 0.00 54.13 52.60 2r2e s LEU 175 Cb -0.06 0.34 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 2r2e s LEU 175 CO -0.05 -0.88 0.10 -0.94 -0.55 0.00 0.00 176.35 174.03 2r2e s SER 176 N -3.26 0.27 -0.08 1.48 1.04 -1.25 -0.24 113.70 111.65 2r2e s SER 176 Ca 0.38 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 2r2e s SER 176 Cb 0.06 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.53 2r2e s SER 176 CO 0.16 -0.74 0.18 -0.55 0.98 0.00 0.00 173.24 173.28 2r2e s SER 177 N -2.99 -0.18 0.13 7.02 0.15 -1.00 -0.48 113.70 116.35 2r2e s SER 177 Ca 0.18 0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.27 2r2e s SER 177 Cb 0.06 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 2r2e s SER 177 CO -0.02 -0.13 0.02 -0.94 1.20 0.00 0.00 173.24 173.37 2r2e s SER 178 N 0.96 5.03 -0.02 5.45 1.04 0.14 -1.66 113.70 124.63 2r2e s SER 178 Ca -0.07 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.15 2r2e s SER 178 Cb -0.09 -1.18 -0.00 0.00 0.10 0.00 0.00 66.02 64.85 2r2e s SER 178 CO -0.05 0.13 -0.13 0.54 0.98 0.00 0.00 173.24 174.70 2r2e s VAL 179 N -1.53 1.07 -0.32 5.02 0.11 0.04 -0.80 120.40 123.99 2r2e s VAL 179 Ca 0.27 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2r2e s VAL 179 Cb -0.11 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 2r2e s VAL 179 CO 0.19 0.31 0.02 -0.89 -3.33 0.00 0.00 175.10 171.41 2r2e s THR 180 N -0.09 2.78 0.31 5.04 2.01 -0.54 -0.25 115.64 124.90 2r2e s THR 180 Ca 0.01 -1.70 0.09 0.00 0.31 0.00 0.00 61.69 60.40 2r2e s THR 180 Cb -0.08 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2r2e s THR 180 CO 0.00 -0.27 0.03 0.68 -0.69 0.00 0.00 174.62 174.37 2r2e s VAL 181 N 1.15 3.03 0.31 3.82 -7.23 -0.32 -4.77 120.40 116.39 2r2e s VAL 181 Ca -0.01 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 2r2e s VAL 181 Cb -0.20 -2.83 -0.11 0.00 0.56 0.00 0.00 36.38 33.79 2r2e s VAL 181 CO -0.03 -0.27 1.59 -2.84 -0.31 0.00 0.00 175.10 173.24 2r2e s PRO 182 N -3.72 4.11 0.64 4.82 0.02 -1.26 -0.31 135.00 139.29 2r2e s PRO 182 Ca 0.34 2.60 0.40 0.00 0.02 0.00 0.00 61.00 64.36 2r2e s PRO 182 Cb -0.03 -3.01 2.18 0.00 0.02 0.00 0.00 34.50 33.66 2r2e s PRO 182 CO 0.20 -0.64 2.31 0.66 -0.33 0.00 0.00 177.00 179.20 2r2e h SER 183 N 4.55 0.00 -0.77 2.53 4.64 -1.60 0.42 113.55 123.32 2r2e h SER 183 Ca -0.48 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.92 2r2e h SER 183 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2r2e h SER 183 CO 0.77 0.01 0.51 0.28 -0.87 0.00 0.00 176.83 177.52 2r2e h SER 184 N 0.00 0.68 0.50 4.97 0.02 -1.89 -3.27 113.55 114.56 2r2e h SER 184 Ca -0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2r2e h SER 184 Cb 0.05 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2r2e h SER 184 CO 0.00 0.42 -1.59 0.35 -1.14 0.00 0.00 176.83 174.88 2r2e n THR 185 N -4.49 0.75 -4.83 -2.27 -2.24 0.15 -4.64 114.28 96.70 2r2e n THR 185 Ca 0.12 -0.63 -0.26 0.00 -2.27 0.00 0.00 64.05 61.02 2r2e n THR 185 Cb 0.27 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 67.94 2r2e n THR 185 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2r2e s TRP 186 N -3.14 1.71 -0.85 4.78 -0.00 -1.13 0.22 118.94 120.53 2r2e s TRP 186 Ca -0.05 -0.49 0.25 0.00 -0.00 0.00 0.00 56.10 55.81 2r2e s TRP 186 Cb 0.10 -1.16 0.98 0.00 -0.00 0.00 0.00 33.47 33.40 2r2e s TRP 186 CO 0.83 -0.17 1.79 -2.30 -0.00 0.00 0.00 176.95 177.10 2r2e n PRO 187 N 3.15 0.11 -0.19 5.86 -0.02 -1.26 -4.68 135.00 137.98 2r2e n PRO 187 Ca -0.18 0.16 0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2r2e n PRO 187 Cb 0.53 -1.64 0.28 0.00 -0.02 0.00 0.00 33.50 32.65 2r2e n PRO 187 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r2e h SER 188 N 0.00 0.79 -3.23 2.55 4.64 -1.82 -3.38 113.55 113.09 2r2e h SER 188 Ca 0.00 -0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.68 2r2e h SER 188 Cb 0.53 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.28 2r2e h SER 188 CO 0.00 0.56 -0.54 -1.61 -0.87 0.00 0.00 176.83 174.37 2r2e s GLU 189 N -5.79 3.94 0.26 4.77 2.02 0.59 -5.09 118.70 119.41 2r2e s GLU 189 Ca -0.10 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 2r2e s GLU 189 Cb 0.18 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 2r2e s GLU 189 CO 0.77 0.34 1.10 0.95 0.02 0.00 0.00 175.26 178.45 2r2e s THR 190 N 0.20 3.53 -0.10 3.63 -4.23 -1.26 -4.27 115.64 113.14 2r2e s THR 190 Ca 0.06 1.51 0.02 0.00 -1.18 0.00 0.00 61.69 62.10 2r2e s THR 190 Cb -0.12 -3.96 0.01 0.00 1.34 0.00 0.00 72.50 69.77 2r2e s THR 190 CO -0.00 0.35 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.57 2r2e s VAL 191 N -1.02 1.57 -0.05 2.29 1.01 -1.26 -5.01 120.40 117.93 2r2e s VAL 191 Ca 0.45 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2r2e s VAL 191 Cb -0.32 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2r2e s VAL 191 CO 0.40 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.94 2r2e s THR 192 N 0.81 1.08 -0.18 3.92 2.01 -1.26 -0.39 115.64 121.63 2r2e s THR 192 Ca -0.10 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 2r2e s THR 192 Cb -0.16 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2r2e s THR 192 CO 0.01 0.34 0.34 0.00 -0.69 0.00 0.00 174.62 174.62 2r2e s ASN 194 N 0.77 6.09 -0.03 0.00 0.01 -0.02 -0.96 114.94 120.80 2r2e s ASN 194 Ca 0.17 0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.49 2r2e s ASN 194 Cb -0.14 -2.09 -0.00 0.00 0.41 0.00 0.00 41.25 39.43 2r2e s ASN 194 CO 0.06 0.10 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.93 2r2e s VAL 195 N 0.86 1.07 0.05 1.60 1.01 0.48 -1.32 120.40 124.15 2r2e s VAL 195 Ca 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2r2e s VAL 195 Cb -0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2r2e s VAL 195 CO 0.03 0.32 -0.13 0.00 0.00 0.00 0.00 175.10 175.31 2r2e s ALA 196 N 0.10 1.11 -0.45 5.51 0.00 -0.86 0.13 121.76 127.29 2r2e s ALA 196 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2r2e s ALA 196 Cb -0.10 -0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.03 2r2e s ALA 196 CO 0.01 0.18 0.27 -1.58 0.00 0.00 0.00 175.76 174.64 2r2e s HIS 197 N -1.01 1.90 0.56 0.00 2.46 -0.40 -1.99 115.29 116.81 2r2e s HIS 197 Ca -0.00 -2.42 0.26 0.00 0.47 0.00 0.00 55.06 53.37 2r2e s HIS 197 Cb -0.09 -1.75 1.51 0.00 -0.13 0.00 0.00 32.58 32.12 2r2e s HIS 197 CO 0.01 -0.77 2.05 -1.00 -2.47 0.00 0.00 174.74 172.57 2r2e h PRO 198 N 6.51 0.00 0.00 2.88 0.13 -1.81 -0.51 132.00 139.19 2r2e h PRO 198 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2r2e h PRO 198 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2r2e h PRO 198 CO 0.47 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.15 2r2e h ALA 199 N 1.75 1.26 0.00 -0.56 0.00 -1.90 -2.46 119.26 117.35 2r2e h ALA 199 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r2e h ALA 199 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2r2e h ALA 199 CO -0.00 0.12 -0.01 -1.13 0.00 0.00 0.00 179.25 178.23 2r2e n SER 200 N -3.58 2.12 -2.57 0.00 3.41 -0.25 -4.97 113.62 107.77 2r2e n SER 200 Ca -0.02 -2.51 -0.11 0.00 -0.26 0.00 0.00 58.87 55.98 2r2e n SER 200 Cb 0.22 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2r2e n SER 200 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2r2e n SER 201 N -0.93 -3.15 -4.70 4.04 7.64 -0.87 -4.90 113.62 110.74 2r2e n SER 201 Ca 0.08 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 2r2e n SER 201 Cb 0.44 -2.70 -0.03 0.00 -1.01 0.00 0.00 64.21 60.91 2r2e n SER 201 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2r2e s THR 202 N -2.50 4.33 -0.12 0.44 2.01 -1.07 -4.94 115.64 113.80 2r2e s THR 202 Ca 0.05 1.67 -0.00 0.00 0.31 0.00 0.00 61.69 63.72 2r2e s THR 202 Cb -0.03 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2r2e s THR 202 CO 0.06 0.08 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.45 2r2e s LYS 203 N 1.44 1.64 -0.06 4.92 1.02 -1.26 -1.28 119.74 126.16 2r2e s LYS 203 Ca 0.56 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.28 2r2e s LYS 203 Cb -0.25 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2r2e s LYS 203 CO 0.26 -0.25 -0.19 0.08 -0.92 0.00 0.00 175.35 174.33 2r2e s VAL 204 N 1.64 1.61 -0.57 3.17 1.01 0.12 -4.99 120.40 122.39 2r2e s VAL 204 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2r2e s VAL 204 Cb -0.13 -1.40 0.14 0.00 0.00 0.00 0.00 36.38 35.00 2r2e s VAL 204 CO -0.08 0.46 0.34 -1.81 0.00 0.00 0.00 175.10 174.01 2r2e s ASP 205 N 0.22 4.67 -0.52 3.32 1.01 -1.26 -0.39 116.67 123.72 2r2e s ASP 205 Ca -0.10 -3.02 -0.22 0.00 0.71 0.00 0.00 52.55 49.92 2r2e s ASP 205 Cb -0.14 -1.72 0.05 0.00 1.01 0.00 0.00 42.92 42.12 2r2e s ASP 205 CO 0.04 -0.27 0.79 -0.75 0.21 0.00 0.00 175.17 175.20 2r2e s LYS 206 N -0.30 3.25 0.31 8.23 2.47 -0.14 -4.91 119.74 128.64 2r2e s LYS 206 Ca 0.18 -0.52 -0.29 0.00 -1.56 0.00 0.00 55.97 53.78 2r2e s LYS 206 Cb -0.23 -4.06 -0.10 0.00 -1.46 0.00 0.00 37.83 31.98 2r2e s LYS 206 CO -0.02 -1.34 1.30 0.21 0.16 0.00 0.00 175.35 175.66 2r2e s LYS 207 N 3.33 4.37 -0.47 4.03 2.20 -1.26 -1.33 119.74 130.61 2r2e s LYS 207 Ca 0.24 2.17 -0.18 0.00 -0.36 0.00 0.00 55.97 57.84 2r2e s LYS 207 Cb -0.15 -3.10 0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2r2e s LYS 207 CO 0.16 -0.18 0.51 0.42 -0.36 0.00 0.00 175.35 175.90 2r2e s ILE 208 N -0.92 5.03 -0.11 5.43 -1.09 0.48 -4.93 121.20 125.10 2r2e s ILE 208 Ca 0.50 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 2r2e s ILE 208 Cb -0.39 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.29 2r2e s ILE 208 CO 0.50 -0.63 -0.02 0.54 -1.23 0.00 0.00 174.94 174.10 2r2e s VAL 209 N 2.23 4.13 -2.00 2.92 0.11 -1.26 -4.57 120.40 121.95 2r2e s VAL 209 Ca 0.11 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.91 2r2e s VAL 209 Cb -0.20 -2.76 0.13 0.00 -1.53 0.00 0.00 36.38 32.03 2r2e s VAL 209 CO 0.11 0.56 0.75 -2.65 -3.33 0.00 0.00 175.10 170.55