#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwt n PRO 15 N 0.00 1.54 0.00 4.33 -0.04 -1.26 -3.48 135.00 136.08 1rwt n PRO 15 Ca 0.00 -0.81 0.07 0.00 -0.04 0.00 0.00 63.50 62.72 1rwt n PRO 15 Cb 0.00 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 1rwt n PRO 15 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1rwt n TRP 16 N 0.02 0.00 -4.04 0.54 7.02 -1.26 -1.82 117.44 117.90 1rwt n TRP 16 Ca 0.16 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.54 1rwt n TRP 16 Cb 0.26 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 1rwt n TRP 16 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1rwt s TYR 17 N -1.64 0.60 0.01 -5.99 2.02 -1.23 -4.67 117.35 106.46 1rwt s TYR 17 Ca 0.12 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 1rwt s TYR 17 Cb 0.11 -0.25 0.00 0.00 -0.40 0.00 0.00 41.96 41.43 1rwt s TYR 17 CO 0.33 -0.63 0.00 0.41 -1.57 0.00 0.00 175.55 174.09 1rwt n GLY 18 N -0.16 -1.55 0.31 0.71 0.00 -0.69 -3.83 105.19 99.98 1rwt n GLY 18 Ca -0.07 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.59 1rwt n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rwt h PRO 19 N -0.04 0.00 -0.66 1.61 0.13 -1.90 -2.84 132.00 128.30 1rwt h PRO 19 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rwt h PRO 19 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1rwt h PRO 19 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 1rwt n ASP 20 N -3.92 4.92 -4.69 1.44 8.00 -1.26 -5.01 116.55 116.04 1rwt n ASP 20 Ca -0.01 -2.49 -0.30 0.00 0.71 0.00 0.00 54.79 52.69 1rwt n ASP 20 Cb 0.18 -0.60 0.15 0.00 -0.02 0.00 0.00 41.12 40.83 1rwt n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwt s ARG 21 N -1.94 1.11 0.57 -1.24 1.70 -1.07 -4.91 118.95 113.17 1rwt s ARG 21 Ca 0.52 1.09 -0.18 0.00 -0.47 0.00 0.00 55.73 56.69 1rwt s ARG 21 Cb 0.34 -1.77 -0.05 0.00 -0.57 0.00 0.00 34.95 32.91 1rwt s ARG 21 CO 0.24 -2.42 1.11 0.14 -1.08 0.00 0.00 175.30 173.29 1rwt s VAL 22 N -2.79 3.28 0.23 4.99 -7.23 -0.75 -5.02 120.40 113.11 1rwt s VAL 22 Ca 0.64 0.73 0.09 0.00 -1.81 0.00 0.00 61.98 61.64 1rwt s VAL 22 Cb -0.20 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 1rwt s VAL 22 CO 0.58 -0.23 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.43 1rwt s LYS 23 N -3.51 1.46 0.25 4.82 -0.14 -1.26 -4.48 119.74 116.87 1rwt s LYS 23 Ca 0.70 -1.63 0.20 0.00 -1.36 0.00 0.00 55.97 53.88 1rwt s LYS 23 Cb -0.22 -1.41 0.96 0.00 -1.68 0.00 0.00 37.83 35.48 1rwt s LYS 23 CO 0.30 0.25 1.60 2.48 -0.76 0.00 0.00 175.35 179.22 1rwt n TYR 24 N -0.37 0.64 -0.44 3.18 0.18 -0.59 -1.68 117.16 118.08 1rwt n TYR 24 Ca -0.08 0.30 0.05 0.00 1.88 0.00 0.00 57.90 60.06 1rwt n TYR 24 Cb 0.60 -0.98 0.11 0.00 -0.38 0.00 0.00 39.34 38.68 1rwt n TYR 24 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1rwt n LEU 25 N -2.13 2.59 0.00 -3.48 4.77 -1.26 -5.02 117.00 112.47 1rwt n LEU 25 Ca 0.00 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 1rwt n LEU 25 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1rwt n LEU 25 CO 0.12 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1rwt n GLY 26 N -0.48 3.57 0.25 -0.72 0.00 -0.68 -1.31 105.19 105.83 1rwt n GLY 26 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1rwt n GLY 26 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 27 N 0.00 0.03 -0.13 1.61 0.11 -1.98 -2.27 132.00 129.37 1rwt h PRO 27 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 27 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1rwt h PRO 27 CO 0.00 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.04 1rwt n PHE 28 N -4.49 0.16 0.18 0.65 3.01 -0.43 -4.39 117.46 112.16 1rwt n PHE 28 Ca -0.03 -0.08 0.18 0.00 1.01 0.00 0.00 57.45 58.53 1rwt n PHE 28 Cb 0.12 0.00 0.71 0.00 -0.01 0.00 0.00 39.48 40.30 1rwt n PHE 28 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1rwt h SER 29 N 1.80 0.00 0.00 4.37 0.02 -1.37 -3.47 113.55 114.90 1rwt h SER 29 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 29 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1rwt h SER 29 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1rwt n GLY 30 N -1.40 0.89 3.74 -3.77 0.00 -1.26 -4.60 105.19 98.78 1rwt n GLY 30 Ca 0.04 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1rwt n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rwt s GLU 31 N 0.00 4.66 0.33 1.61 2.12 -1.26 -5.04 118.70 121.12 1rwt s GLU 31 Ca 0.00 1.60 -0.06 0.00 0.36 0.00 0.00 54.97 56.87 1rwt s GLU 31 Cb 0.00 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1rwt s GLU 31 CO 0.00 0.18 0.62 0.45 -0.54 0.00 0.00 175.26 175.97 1rwt s SER 32 N -0.23 6.46 0.20 -1.70 0.15 -1.26 -5.03 113.70 112.30 1rwt s SER 32 Ca 0.47 0.83 -0.32 0.00 0.70 0.00 0.00 55.95 57.63 1rwt s SER 32 Cb -0.27 -2.19 -0.14 0.00 -1.71 0.00 0.00 66.02 61.71 1rwt s SER 32 CO 0.33 -0.26 1.36 -2.65 1.20 0.00 0.00 173.24 173.22 1rwt n PRO 33 N -1.09 1.78 -0.13 5.44 -0.02 -1.26 -4.85 135.00 134.87 1rwt n PRO 33 Ca -0.01 0.64 0.23 0.00 -2.02 0.00 0.00 63.50 62.34 1rwt n PRO 33 Cb 0.54 -2.27 0.66 0.00 -0.02 0.00 0.00 33.50 32.41 1rwt n PRO 33 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rwt h SER 34 N 4.23 0.11 0.43 2.55 4.64 -2.01 -0.75 113.55 122.74 1rwt h SER 34 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1rwt h SER 34 Cb 1.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1rwt h SER 34 CO 0.76 0.05 -0.17 0.00 -0.87 0.00 0.00 176.83 176.60 1rwt n TYR 35 N -4.37 0.00 -3.49 4.77 0.18 -1.26 -4.43 117.16 108.56 1rwt n TYR 35 Ca 0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.51 1rwt n TYR 35 Cb 0.76 -0.22 -0.05 0.00 -0.38 0.00 0.00 39.34 39.45 1rwt n TYR 35 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1rwt s LEU 36 N -2.60 6.09 -0.04 -3.48 1.43 -0.29 -4.89 118.68 114.91 1rwt s LEU 36 Ca 0.24 -2.93 0.19 0.00 -1.03 0.00 0.00 54.13 50.60 1rwt s LEU 36 Cb 0.19 -2.06 0.63 0.00 0.03 0.00 0.00 46.19 44.98 1rwt s LEU 36 CO 0.51 -0.44 1.53 0.35 0.23 0.00 0.00 176.35 178.53 1rwt n THR 37 N 3.52 1.20 -1.44 5.49 -2.24 -1.26 -4.71 114.28 114.84 1rwt n THR 37 Ca 0.13 -0.98 -0.01 0.00 -2.27 0.00 0.00 64.05 60.93 1rwt n THR 37 Cb 0.42 0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1rwt n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 38 N 1.40 0.41 0.14 3.38 0.00 -1.26 -4.32 105.19 104.94 1rwt n GLY 38 Ca 0.23 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1rwt n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rwt h GLU 39 N 0.00 0.36 -5.99 1.61 4.81 -1.92 -1.84 114.58 111.62 1rwt h GLU 39 Ca -0.02 -0.62 -0.61 0.00 -0.13 0.00 0.00 59.36 57.98 1rwt h GLU 39 Cb 0.46 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1rwt h GLU 39 CO 0.03 1.30 -0.51 -0.06 -0.73 0.00 0.00 179.01 179.04 1rwt s PHE 40 N -2.57 3.45 0.42 0.92 0.08 -1.26 -5.00 117.98 114.01 1rwt s PHE 40 Ca -0.18 0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.80 1rwt s PHE 40 Cb 0.06 -1.71 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 1rwt s PHE 40 CO 0.83 0.56 1.46 -1.25 -0.10 0.00 0.00 175.22 176.72 1rwt s PRO 41 N -2.65 3.88 0.00 0.24 0.04 -1.26 -2.88 135.00 132.37 1rwt s PRO 41 Ca 0.34 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1rwt s PRO 41 Cb -0.12 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1rwt s PRO 41 CO 0.27 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1rwt n GLY 42 N 0.52 0.83 3.58 0.56 0.00 -1.26 -4.98 105.19 104.44 1rwt n GLY 42 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1rwt n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwt s ASP 43 N -2.82 5.99 -0.03 1.61 -1.08 -1.14 -4.78 116.67 114.42 1rwt s ASP 43 Ca 0.00 0.68 0.12 0.00 -0.52 0.00 0.00 52.55 52.83 1rwt s ASP 43 Cb 0.00 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.28 1rwt s ASP 43 CO 0.00 -1.75 1.29 -1.22 0.52 0.00 0.00 175.17 174.02 1rwt n TYR 44 N 10.06 0.57 -2.47 -5.34 4.02 -1.26 -4.84 117.16 117.89 1rwt n TYR 44 Ca 0.17 -0.57 -0.05 0.00 -0.01 0.00 0.00 57.90 57.44 1rwt n TYR 44 Cb 0.49 -0.08 0.01 0.00 -0.02 0.00 0.00 39.34 39.73 1rwt n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rwt n GLY 45 N 0.33 0.42 3.18 2.72 0.00 -1.26 -1.54 105.19 109.04 1rwt n GLY 45 Ca 0.14 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1rwt n GLY 45 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rwt s TRP 46 N -2.72 3.23 -0.40 1.61 -0.00 -1.26 -4.58 118.94 114.82 1rwt s TRP 46 Ca 0.08 -1.80 0.08 0.00 -0.00 0.00 0.00 56.10 54.46 1rwt s TRP 46 Cb -0.03 -2.11 0.36 0.00 -0.00 0.00 0.00 33.47 31.69 1rwt s TRP 46 CO 0.10 -0.79 1.31 -3.47 -0.00 0.00 0.00 176.95 174.10 1rwt n ASP 47 N 4.64 -1.93 0.31 5.86 4.64 -1.26 -5.00 116.55 123.81 1rwt n ASP 47 Ca -0.14 -2.59 0.19 0.00 -1.38 0.00 0.00 54.79 50.87 1rwt n ASP 47 Cb 0.44 1.16 0.98 0.00 -1.04 0.00 0.00 41.12 42.66 1rwt n ASP 47 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1rwt h THR 48 N 2.04 0.09 0.00 5.18 1.35 -2.05 0.71 112.91 120.24 1rwt h THR 48 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1rwt h THR 48 Cb 1.27 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1rwt h THR 48 CO -0.05 0.00 -0.61 0.00 -0.25 0.00 0.00 175.52 174.61 1rwt n ALA 49 N -2.05 3.68 -3.71 6.62 0.00 -1.26 -4.95 120.51 118.84 1rwt n ALA 49 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1rwt n ALA 49 Cb 0.25 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.69 1rwt n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 50 N 1.48 -0.49 0.10 0.00 0.00 0.25 -4.87 105.19 101.66 1rwt n GLY 50 Ca 0.05 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1rwt n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rwt n LEU 51 N -4.77 0.75 -0.32 0.99 4.77 -1.26 -3.55 117.00 113.60 1rwt n LEU 51 Ca -0.03 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 1rwt n LEU 51 Cb 0.56 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1rwt n LEU 51 CO 0.69 -0.23 0.61 -1.20 -1.33 0.00 0.00 177.39 175.92 1rwt n SER 52 N -2.22 2.78 -0.09 -1.43 7.64 -1.26 -4.70 113.62 114.34 1rwt n SER 52 Ca 0.05 -2.92 0.09 0.00 1.01 0.00 0.00 58.87 57.10 1rwt n SER 52 Cb 0.39 -0.41 0.45 0.00 -1.01 0.00 0.00 64.21 63.63 1rwt n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rwt h ALA 53 N 0.60 1.87 -2.27 -0.43 0.00 -1.96 -3.39 119.26 113.69 1rwt h ALA 53 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1rwt h ALA 53 Cb 1.07 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1rwt h ALA 53 CO 0.06 0.02 0.48 0.34 0.00 0.00 0.00 179.25 180.15 1rwt s ASP 54 N -6.33 6.82 0.42 0.00 -1.08 -1.26 -4.95 116.67 110.28 1rwt s ASP 54 Ca -0.08 0.99 0.18 0.00 -0.52 0.00 0.00 52.55 53.12 1rwt s ASP 54 Cb 0.19 -2.44 1.10 0.00 -1.46 0.00 0.00 42.92 40.31 1rwt s ASP 54 CO 0.75 -0.54 1.85 1.55 0.52 0.00 0.00 175.17 179.30 1rwt h PRO 55 N 7.74 0.38 -0.23 4.34 0.13 -1.99 0.13 132.00 142.50 1rwt h PRO 55 Ca -0.23 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1rwt h PRO 55 Cb 1.09 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1rwt h PRO 55 CO 0.88 0.25 -0.23 1.49 -0.23 0.00 0.00 178.00 180.16 1rwt h GLU 56 N 0.39 0.57 -0.26 0.86 4.57 -1.93 -1.98 114.58 116.82 1rwt h GLU 56 Ca 0.47 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1rwt h GLU 56 Cb 1.20 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1rwt h GLU 56 CO -0.18 0.89 -0.34 1.15 -1.18 0.00 0.00 179.01 179.36 1rwt h THR 57 N 0.27 1.29 -0.64 0.32 2.02 -1.67 -2.73 112.91 111.77 1rwt h THR 57 Ca 0.04 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.79 1rwt h THR 57 Cb 0.79 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1rwt h THR 57 CO 0.06 0.46 0.41 0.15 0.37 0.00 0.00 175.52 176.97 1rwt h PHE 58 N 0.47 0.77 -0.29 3.16 3.57 -0.68 0.70 116.94 124.64 1rwt h PHE 58 Ca 0.05 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1rwt h PHE 58 Cb 0.81 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1rwt h PHE 58 CO 0.03 0.45 0.18 0.00 -2.23 0.00 0.00 178.31 176.74 1rwt h ALA 59 N 1.27 0.36 -0.90 2.41 0.00 -1.11 -0.58 119.26 120.70 1rwt h ALA 59 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1rwt h ALA 59 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1rwt h ALA 59 CO -0.09 -0.19 0.49 0.87 0.00 0.00 0.00 179.25 180.33 1rwt h LYS 60 N 0.36 1.25 -0.06 0.00 1.79 -1.10 -2.06 116.57 116.75 1rwt h LYS 60 Ca 0.11 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 1rwt h LYS 60 Cb -0.02 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 1rwt h LYS 60 CO -0.04 0.92 -0.45 -0.91 -1.08 0.00 0.00 179.45 177.89 1rwt h ASN 61 N 1.26 0.14 -0.42 0.86 2.35 -0.51 -1.11 115.58 118.13 1rwt h ASN 61 Ca 0.31 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1rwt h ASN 61 Cb 0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1rwt h ASN 61 CO -0.05 0.57 -0.06 0.03 -1.65 0.00 0.00 177.43 176.27 1rwt h ARG 62 N 0.11 0.85 0.18 0.81 3.08 -0.51 -0.78 114.38 118.12 1rwt h ARG 62 Ca 0.01 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1rwt h ARG 62 Cb 0.84 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1rwt h ARG 62 CO 0.06 0.89 -0.09 0.93 -1.07 0.00 0.00 179.97 180.70 1rwt h GLU 63 N 0.78 -0.23 -0.83 0.04 5.08 -1.03 -2.40 114.58 115.99 1rwt h GLU 63 Ca 0.14 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.67 1rwt h GLU 63 Cb 0.55 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1rwt h GLU 63 CO 0.03 0.06 0.40 -0.07 -1.00 0.00 0.00 179.01 178.43 1rwt h LEU 64 N -0.53 0.44 0.19 1.33 3.38 -1.09 -1.54 115.31 117.50 1rwt h LEU 64 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1rwt h LEU 64 Cb 0.40 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1rwt h LEU 64 CO 0.04 0.17 -0.09 -0.08 0.09 0.00 0.00 178.44 178.57 1rwt h GLU 65 N 0.55 -0.25 -0.40 1.13 4.81 -0.98 -0.66 114.58 118.78 1rwt h GLU 65 Ca 0.46 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1rwt h GLU 65 Cb 0.68 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1rwt h GLU 65 CO -0.39 -0.07 0.18 0.28 -0.73 0.00 0.00 179.01 178.28 1rwt h VAL 66 N -0.38 1.18 -0.43 0.32 2.07 -1.16 0.24 116.25 118.10 1rwt h VAL 66 Ca -0.03 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1rwt h VAL 66 Cb 0.29 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1rwt h VAL 66 CO 0.04 0.20 0.27 0.40 0.02 0.00 0.00 177.57 178.50 1rwt h ILE 67 N 0.51 1.13 -0.73 4.57 1.08 -1.28 -0.04 117.51 122.75 1rwt h ILE 67 Ca 0.14 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1rwt h ILE 67 Cb 0.15 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1rwt h ILE 67 CO -0.01 0.13 0.39 0.45 -0.69 0.00 0.00 178.15 178.42 1rwt h HIS 68 N 0.57 0.99 -0.08 1.37 3.86 -0.81 -1.91 115.15 119.14 1rwt h HIS 68 Ca 0.16 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1rwt h HIS 68 Cb -0.03 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 1rwt h HIS 68 CO -0.04 0.69 -0.09 0.00 0.86 0.00 0.00 177.93 179.35 1rwt h ARG 70 N -0.11 1.03 -0.33 0.00 3.08 -0.77 -1.21 114.38 116.07 1rwt h ARG 70 Ca 0.06 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1rwt h ARG 70 Cb 0.20 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1rwt h ARG 70 CO -0.15 0.91 -0.09 -1.49 -1.07 0.00 0.00 179.97 178.08 1rwt h TRP 71 N 0.99 0.72 -0.11 3.04 4.06 -1.06 -2.72 115.95 120.88 1rwt h TRP 71 Ca 0.21 -0.16 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 1rwt h TRP 71 Cb 0.33 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1rwt h TRP 71 CO 0.02 0.82 -0.14 0.00 -3.56 0.00 0.00 178.44 175.58 1rwt h ALA 72 N 0.80 1.57 -0.21 1.49 0.00 -0.67 0.58 119.26 122.82 1rwt h ALA 72 Ca 0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1rwt h ALA 72 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rwt h ALA 72 CO 0.03 0.31 -0.39 0.52 0.00 0.00 0.00 179.25 179.72 1rwt h MET 73 N 0.16 0.64 -0.57 0.00 2.86 -1.12 0.79 114.93 117.69 1rwt h MET 73 Ca 0.03 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1rwt h MET 73 Cb 0.35 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1rwt h MET 73 CO 0.02 1.02 0.12 -0.07 1.06 0.00 0.00 176.91 179.07 1rwt h LEU 74 N 0.33 0.88 -0.59 1.22 3.38 -1.15 -2.53 115.31 116.85 1rwt h LEU 74 Ca 0.01 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1rwt h LEU 74 Cb 0.99 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1rwt h LEU 74 CO 0.09 0.90 0.04 1.23 0.09 0.00 0.00 178.44 180.79 1rwt h GLY 75 N 0.83 1.09 0.94 0.83 0.00 -0.79 0.28 103.07 106.25 1rwt h GLY 75 Ca 0.18 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1rwt h GLY 75 CO 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 176.54 177.19 1rwt h ALA 76 N 0.99 -0.17 -0.40 3.60 0.00 -0.75 0.24 119.26 122.77 1rwt h ALA 76 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rwt h ALA 76 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1rwt h ALA 76 CO 0.02 -0.56 0.21 1.25 0.00 0.00 0.00 179.25 180.16 1rwt h LEU 77 N -0.24 0.51 -0.98 0.00 5.85 -1.42 -2.73 115.31 116.30 1rwt h LEU 77 Ca -0.02 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1rwt h LEU 77 Cb 0.19 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1rwt h LEU 77 CO 0.03 0.48 -0.08 1.23 -0.34 0.00 0.00 178.44 179.76 1rwt h GLY 78 N 0.51 0.69 1.70 3.75 0.00 -0.73 -0.12 103.07 108.88 1rwt h GLY 78 Ca 0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1rwt h GLY 78 CO -0.02 0.45 -0.40 0.00 0.00 0.00 0.00 176.54 176.56 1rwt h VAL 80 N 0.28 0.97 -0.28 0.00 2.07 -1.26 -3.37 116.25 114.65 1rwt h VAL 80 Ca 0.03 -2.59 0.07 0.00 0.82 0.00 0.00 66.70 65.02 1rwt h VAL 80 Cb 0.83 2.73 -0.07 0.00 -1.52 0.00 0.00 31.29 33.26 1rwt h VAL 80 CO 0.07 0.84 -0.17 0.15 0.02 0.00 0.00 177.57 178.47 1rwt h PHE 81 N 0.09 -0.43 -0.78 1.57 3.57 -1.11 -0.13 116.94 119.71 1rwt h PHE 81 Ca -0.32 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1rwt h PHE 81 Cb 2.07 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 41.01 1rwt h PHE 81 CO 0.08 -0.25 0.44 -1.35 -2.23 0.00 0.00 178.31 175.00 1rwt h PRO 82 N -0.15 1.08 -0.20 6.41 0.11 -1.79 -1.59 132.00 135.88 1rwt h PRO 82 Ca 0.15 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1rwt h PRO 82 Cb 0.37 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1rwt h PRO 82 CO -0.37 0.79 -0.16 1.49 -0.21 0.00 0.00 178.00 179.54 1rwt h GLU 83 N 1.08 0.33 -0.41 1.05 4.81 -1.47 -0.77 114.58 119.20 1rwt h GLU 83 Ca 0.28 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1rwt h GLU 83 Cb 0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1rwt h GLU 83 CO -0.05 0.49 0.03 1.25 -0.73 0.00 0.00 179.01 180.01 1rwt h LEU 84 N 0.31 0.68 -1.09 1.64 5.85 -0.39 -2.15 115.31 120.16 1rwt h LEU 84 Ca 0.06 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1rwt h LEU 84 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1rwt h LEU 84 CO 0.03 0.80 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.43 1rwt h LEU 85 N 0.54 0.00 -0.37 2.25 3.38 -0.92 -2.98 115.31 117.21 1rwt h LEU 85 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1rwt h LEU 85 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rwt h LEU 85 CO 0.01 0.42 -0.31 0.00 0.09 0.00 0.00 178.44 178.66 1rwt h ALA 86 N 1.58 0.54 0.00 1.53 0.00 -0.92 -0.88 119.26 121.10 1rwt h ALA 86 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1rwt h ALA 86 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rwt h ALA 86 CO 0.06 0.58 0.00 0.54 0.00 0.00 0.00 179.25 180.43 1rwt n ARG 87 N -4.15 0.17 -0.57 0.00 1.74 -0.83 -2.39 116.66 110.63 1rwt n ARG 87 Ca -0.02 0.16 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 1rwt n ARG 87 Cb 0.50 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.63 1rwt n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rwt n ASN 88 N -1.34 2.09 0.00 0.55 5.03 -0.79 -4.99 115.26 115.81 1rwt n ASN 88 Ca 0.06 -3.72 0.00 0.00 0.87 0.00 0.00 54.58 51.80 1rwt n ASN 88 Cb 0.14 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rwt n GLY 89 N -1.14 2.44 3.70 7.41 0.00 -1.01 -5.01 105.19 111.59 1rwt n GLY 89 Ca 0.22 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1rwt n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rwt s VAL 90 N -2.07 2.85 -0.40 1.61 1.01 -0.41 -4.97 120.40 118.03 1rwt s VAL 90 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1rwt s VAL 90 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1rwt s VAL 90 CO 0.00 0.02 0.53 -0.54 0.00 0.00 0.00 175.10 175.11 1rwt s LYS 91 N 1.87 3.37 0.22 2.72 3.01 -1.26 -4.08 119.74 125.59 1rwt s LYS 91 Ca 0.72 -0.39 0.08 0.00 -1.01 0.00 0.00 55.97 55.36 1rwt s LYS 91 Cb -0.41 -3.90 -0.04 0.00 -1.01 0.00 0.00 37.83 32.47 1rwt s LYS 91 CO 0.32 -0.82 0.08 -0.06 0.51 0.00 0.00 175.35 175.38 1rwt s PHE 92 N 2.46 2.93 0.16 3.18 0.08 -1.26 -3.79 117.98 121.74 1rwt s PHE 92 Ca 0.18 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 1rwt s PHE 92 Cb -0.15 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 40.99 1rwt s PHE 92 CO 0.15 0.55 1.66 0.78 -0.10 0.00 0.00 175.22 178.27 1rwt h GLY 93 N 2.04 0.92 -6.24 4.36 0.00 -1.95 -3.41 103.07 98.79 1rwt h GLY 93 Ca -0.47 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.18 1rwt h GLY 93 CO 0.60 0.54 -0.42 1.85 0.00 0.00 0.00 176.54 179.11 1rwt s GLU 94 N -5.30 0.36 0.04 4.80 2.56 -1.26 -5.05 118.70 114.85 1rwt s GLU 94 Ca -0.13 0.74 0.20 0.00 0.00 0.00 0.00 54.97 55.78 1rwt s GLU 94 Cb 0.12 -0.13 -0.17 0.00 2.00 0.00 0.00 34.13 35.95 1rwt s GLU 94 CO 0.80 -0.52 0.70 0.00 -0.56 0.00 0.00 175.26 175.68 1rwt n ALA 95 N 5.38 2.27 -2.26 6.30 0.00 -1.26 -4.43 120.51 126.50 1rwt n ALA 95 Ca -0.05 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1rwt n ALA 95 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1rwt n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rwt s VAL 96 N -3.15 3.71 0.26 0.00 1.01 -1.26 -3.36 120.40 117.61 1rwt s VAL 96 Ca -0.04 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1rwt s VAL 96 Cb 0.10 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 33.01 1rwt s VAL 96 CO 0.83 0.04 1.66 4.11 0.00 0.00 0.00 175.10 181.74 1rwt h TRP 97 N 7.37 0.20 0.00 5.22 5.08 -1.91 0.79 115.95 132.70 1rwt h TRP 97 Ca -0.39 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.63 1rwt h TRP 97 Cb 1.19 0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1rwt h TRP 97 CO 0.71 -0.18 0.00 1.97 -1.28 0.00 0.00 178.44 179.66 1rwt n PHE 98 N -5.24 0.00 -0.15 0.12 1.16 -1.26 -2.68 117.46 109.41 1rwt n PHE 98 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.75 1rwt n PHE 98 Cb 0.54 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1rwt n PHE 98 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1rwt n LYS 99 N -0.32 2.21 -0.18 3.97 5.02 0.19 -4.84 118.16 124.22 1rwt n LYS 99 Ca 0.00 -0.07 -0.02 0.00 -2.02 0.00 0.00 58.31 56.20 1rwt n LYS 99 Cb 0.08 -0.37 0.08 0.00 -0.02 0.00 0.00 35.03 34.80 1rwt n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rwt h ALA 100 N 0.00 0.71 -0.89 7.82 0.00 -1.12 -2.78 119.26 123.00 1rwt h ALA 100 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1rwt h ALA 100 Cb 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1rwt h ALA 100 CO 0.00 -0.14 0.51 0.78 0.00 0.00 0.00 179.25 180.40 1rwt h GLY 101 N 0.46 1.45 2.00 0.00 0.00 -1.89 -2.19 103.07 102.90 1rwt h GLY 101 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1rwt h GLY 101 CO -0.23 0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.24 1rwt n SER 102 N -4.76 0.17 0.22 0.19 3.41 -1.05 -2.37 113.62 109.43 1rwt n SER 102 Ca 0.17 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.41 1rwt n SER 102 Cb 0.37 -0.60 0.54 0.00 -0.26 0.00 0.00 64.21 64.27 1rwt n SER 102 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1rwt h GLN 103 N 0.00 0.04 -0.00 4.33 4.20 -1.53 -1.59 115.11 120.55 1rwt h GLN 103 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rwt h GLN 103 Cb 0.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1rwt h GLN 103 CO 0.00 0.13 0.02 0.97 -0.67 0.00 0.00 178.83 179.28 1rwt h ILE 104 N 0.04 0.14 -0.23 2.54 6.09 -1.70 0.20 117.51 124.59 1rwt h ILE 104 Ca 0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1rwt h ILE 104 Cb 0.19 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1rwt h ILE 104 CO 0.01 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.58 1rwt n PHE 105 N -3.27 0.29 -1.48 2.19 3.72 -0.60 -4.71 117.46 113.59 1rwt n PHE 105 Ca -0.03 -0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 1rwt n PHE 105 Cb 0.09 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.70 1rwt n PHE 105 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rwt s SER 106 N -1.62 4.97 0.35 4.37 0.01 0.69 -4.95 113.70 117.53 1rwt s SER 106 Ca 0.35 1.61 0.05 0.00 1.31 0.00 0.00 55.95 59.27 1rwt s SER 106 Cb 0.20 -2.42 0.71 0.00 0.21 0.00 0.00 66.02 64.73 1rwt s SER 106 CO 0.29 -1.71 1.94 -0.08 0.41 0.00 0.00 173.24 174.10 1rwt h GLU 107 N -0.90 0.77 -0.02 12.44 4.81 -1.92 -2.63 114.58 127.12 1rwt h GLU 107 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1rwt h GLU 107 Cb 1.23 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1rwt h GLU 107 CO 0.56 0.51 -0.22 0.41 -0.73 0.00 0.00 179.01 179.54 1rwt n GLY 108 N -1.44 0.56 4.10 1.92 0.00 -1.26 -5.09 105.19 103.98 1rwt n GLY 108 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1rwt n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 109 N 1.38 -1.77 3.37 -0.02 0.00 -0.99 -4.80 105.19 102.36 1rwt n GLY 109 Ca 0.12 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1rwt n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwt s LEU 110 N 0.00 4.58 -0.29 0.99 0.20 0.00 -4.67 118.68 119.49 1rwt s LEU 110 Ca 0.00 -0.95 -0.09 0.00 0.69 0.00 0.00 54.13 53.78 1rwt s LEU 110 Cb 0.00 -2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1rwt s LEU 110 CO 0.00 -0.35 0.13 -1.81 -0.29 0.00 0.00 176.35 174.03 1rwt s ASP 111 N 1.54 5.48 0.21 3.68 1.01 -1.26 -1.86 116.67 125.47 1rwt s ASP 111 Ca 0.02 -0.41 -0.32 0.00 0.71 0.00 0.00 52.55 52.55 1rwt s ASP 111 Cb -0.19 -1.99 -0.13 0.00 1.01 0.00 0.00 42.92 41.62 1rwt s ASP 111 CO 0.06 -0.14 1.58 0.00 0.21 0.00 0.00 175.17 176.88 1rwt n TYR 112 N 4.97 2.47 -1.90 4.23 9.36 -0.92 -0.92 117.16 134.44 1rwt n TYR 112 Ca -0.14 0.24 -0.16 0.00 3.32 0.00 0.00 57.90 61.16 1rwt n TYR 112 Cb 0.50 -2.57 -0.04 0.00 -0.63 0.00 0.00 39.34 36.60 1rwt n TYR 112 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1rwt n LEU 113 N 3.07 -1.33 0.00 2.98 4.77 -1.26 -0.96 117.00 124.27 1rwt n LEU 113 Ca 0.14 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1rwt n LEU 113 Cb 0.32 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1rwt n LEU 113 CO 0.63 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1rwt n GLY 114 N -0.57 0.85 3.58 -0.72 0.00 -0.10 -4.77 105.19 103.46 1rwt n GLY 114 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1rwt n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rwt s ASN 115 N -2.75 6.54 0.61 1.61 3.84 -0.14 -4.92 114.94 119.73 1rwt s ASN 115 Ca 0.00 0.27 0.32 0.00 0.21 0.00 0.00 52.86 53.66 1rwt s ASN 115 Cb 0.00 -2.41 1.73 0.00 -0.55 0.00 0.00 41.25 40.02 1rwt s ASN 115 CO 0.00 -0.83 1.97 -0.65 -2.79 0.00 0.00 177.10 174.80 1rwt h PRO 116 N 8.65 0.00 -0.00 0.43 0.11 -1.90 0.95 132.00 140.23 1rwt h PRO 116 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1rwt h PRO 116 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rwt h PRO 116 CO 0.95 0.00 -0.11 0.43 -0.21 0.00 0.00 178.00 179.06 1rwt n SER 117 N -2.82 0.42 -4.22 -2.05 7.64 -1.26 -4.55 113.62 106.78 1rwt n SER 117 Ca -0.02 -0.50 -0.34 0.00 1.01 0.00 0.00 58.87 59.01 1rwt n SER 117 Cb 0.27 -0.09 -0.15 0.00 -1.01 0.00 0.00 64.21 63.22 1rwt n SER 117 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rwt s LEU 118 N -2.51 2.64 0.00 -3.43 1.43 0.33 -4.89 118.68 112.26 1rwt s LEU 118 Ca 0.28 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1rwt s LEU 118 Cb 0.20 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1rwt s LEU 118 CO 0.48 -0.03 0.00 0.52 0.23 0.00 0.00 176.35 177.55 1rwt n VAL 119 N 4.71 0.00 -3.93 -1.59 0.31 -1.26 -2.17 118.33 114.40 1rwt n VAL 119 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 1rwt n VAL 119 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1rwt n VAL 119 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1rwt n HIS 120 N 0.00 -1.88 -2.13 3.52 -0.00 -1.06 -4.89 115.22 108.77 1rwt n HIS 120 Ca 0.00 0.82 -0.41 0.00 0.46 0.00 0.00 57.72 58.59 1rwt n HIS 120 Cb 0.00 -3.83 -0.02 0.00 -0.12 0.00 0.00 29.99 26.01 1rwt n HIS 120 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rwt s ALA 121 N -3.62 3.52 0.00 1.57 0.00 -0.78 -4.72 121.76 117.72 1rwt s ALA 121 Ca 0.28 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1rwt s ALA 121 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1rwt s ALA 121 CO 0.86 -0.62 0.00 1.04 0.00 0.00 0.00 175.76 177.04 1rwt n GLN 122 N 1.25 1.89 -3.83 0.00 1.13 -1.26 -0.82 117.38 115.74 1rwt n GLN 122 Ca 0.02 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.71 1rwt n GLN 122 Cb 0.42 -0.95 -0.13 0.00 0.11 0.00 0.00 30.24 29.69 1rwt n GLN 122 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1rwt s SER 123 N -2.22 5.09 0.40 1.08 0.15 -1.26 -4.95 113.70 111.99 1rwt s SER 123 Ca 0.00 -1.17 0.11 0.00 0.70 0.00 0.00 55.95 55.59 1rwt s SER 123 Cb 0.00 -1.79 0.84 0.00 -1.71 0.00 0.00 66.02 63.36 1rwt s SER 123 CO 0.00 -0.28 1.93 -0.29 1.20 0.00 0.00 173.24 175.80 1rwt h ILE 124 N 6.29 1.17 -0.57 6.45 6.09 -1.95 -1.70 117.51 133.28 1rwt h ILE 124 Ca -0.23 -0.77 -0.06 0.00 -1.37 0.00 0.00 64.86 62.43 1rwt h ILE 124 Cb 1.08 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.63 1rwt h ILE 124 CO 0.57 0.23 0.14 -0.07 -3.07 0.00 0.00 178.15 175.95 1rwt h LEU 125 N 0.14 0.87 -0.35 2.19 3.38 -1.99 0.84 115.31 120.40 1rwt h LEU 125 Ca 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1rwt h LEU 125 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1rwt h LEU 125 CO 0.02 0.88 0.13 0.00 0.09 0.00 0.00 178.44 179.57 1rwt h ALA 126 N 1.03 0.45 -0.27 1.53 0.00 -1.80 -0.16 119.26 120.04 1rwt h ALA 126 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rwt h ALA 126 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1rwt h ALA 126 CO 0.00 0.06 0.11 0.82 0.00 0.00 0.00 179.25 180.24 1rwt h ILE 127 N 0.41 0.96 -0.28 0.00 2.04 -1.06 -2.08 117.51 117.49 1rwt h ILE 127 Ca 0.11 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1rwt h ILE 127 Cb 0.20 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1rwt h ILE 127 CO -0.01 0.04 0.05 -0.25 0.00 0.00 0.00 178.15 177.99 1rwt h TRP 128 N 0.24 0.08 -0.70 1.37 7.01 -0.57 -2.40 115.95 120.98 1rwt h TRP 128 Ca 0.12 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.15 1rwt h TRP 128 Cb 0.06 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 1rwt h TRP 128 CO -0.11 0.01 0.45 0.00 -2.79 0.00 0.00 178.44 176.00 1rwt h ALA 129 N 1.21 0.91 -0.64 2.65 0.00 -0.68 -2.08 119.26 120.62 1rwt h ALA 129 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1rwt h ALA 129 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1rwt h ALA 129 CO -0.18 0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.43 1rwt h GLN 131 N 0.99 1.10 0.03 0.00 4.15 -1.10 0.56 115.11 120.84 1rwt h GLN 131 Ca 0.20 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1rwt h GLN 131 Cb 0.42 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1rwt h GLN 131 CO 0.01 0.99 -0.02 0.28 -1.93 0.00 0.00 178.83 178.16 1rwt h VAL 132 N 1.02 1.01 0.71 2.39 2.07 -1.24 0.16 116.25 122.37 1rwt h VAL 132 Ca 0.21 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1rwt h VAL 132 Cb 0.40 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1rwt h VAL 132 CO 0.01 0.03 -0.34 0.40 0.02 0.00 0.00 177.57 177.69 1rwt h ILE 133 N -0.10 0.23 0.27 4.57 1.08 -1.34 0.63 117.51 122.84 1rwt h ILE 133 Ca -0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1rwt h ILE 133 Cb 0.09 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 1rwt h ILE 133 CO 0.01 0.02 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.28 1rwt h LEU 134 N -1.07 -0.33 -0.66 1.44 3.38 -0.90 -1.54 115.31 115.63 1rwt h LEU 134 Ca -0.10 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1rwt h LEU 134 Cb 0.75 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1rwt h LEU 134 CO 0.16 -0.23 0.16 0.24 0.09 0.00 0.00 178.44 178.86 1rwt h MET 135 N -0.37 1.06 -0.79 1.13 2.86 -0.76 -2.13 114.93 115.93 1rwt h MET 135 Ca -0.03 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1rwt h MET 135 Cb 0.29 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1rwt h MET 135 CO 0.05 0.95 0.51 0.78 1.06 0.00 0.00 176.91 180.27 1rwt h GLY 136 N 0.98 1.13 0.75 8.32 0.00 -0.78 -0.73 103.07 112.74 1rwt h GLY 136 Ca 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1rwt h GLY 136 CO 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 176.54 176.82 1rwt h ALA 137 N 1.31 -0.23 -0.26 3.60 0.00 -0.99 -1.44 119.26 121.25 1rwt h ALA 137 Ca 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1rwt h ALA 137 Cb -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rwt h ALA 137 CO -0.09 -0.50 -0.18 -0.39 0.00 0.00 0.00 179.25 178.08 1rwt h VAL 138 N -0.49 1.24 -0.51 0.00 -1.51 -1.27 0.18 116.25 113.89 1rwt h VAL 138 Ca -0.02 -1.12 -0.09 0.00 -1.23 0.00 0.00 66.70 64.24 1rwt h VAL 138 Cb 0.38 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1rwt h VAL 138 CO 0.04 0.36 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.38 1rwt h GLU 139 N 0.42 0.88 -0.43 5.19 4.39 -1.15 -0.10 114.58 123.79 1rwt h GLU 139 Ca 0.07 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1rwt h GLU 139 Cb 0.57 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1rwt h GLU 139 CO 0.04 0.89 0.19 0.78 -1.16 0.00 0.00 179.01 179.75 1rwt h GLY 140 N 0.99 0.68 1.59 -3.84 0.00 -0.20 -2.38 103.07 99.90 1rwt h GLY 140 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1rwt h GLY 140 CO 0.03 0.34 0.16 -0.97 0.00 0.00 0.00 176.54 176.09 1rwt h TYR 141 N 0.55 0.53 0.00 5.60 0.99 -0.21 -0.67 116.97 123.76 1rwt h TYR 141 Ca 0.15 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 1rwt h TYR 141 Cb 0.16 -0.17 -0.00 0.00 1.00 0.00 0.00 36.73 37.72 1rwt h TYR 141 CO -0.00 0.41 -0.09 -0.09 -0.00 0.00 0.00 178.16 178.39 1rwt h ARG 142 N 0.54 0.00 0.00 4.88 2.43 -0.52 0.45 114.38 122.16 1rwt h ARG 142 Ca 0.13 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.94 1rwt h ARG 142 Cb 0.10 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1rwt h ARG 142 CO -0.02 0.09 -2.01 -0.89 -1.51 0.00 0.00 179.97 175.63 1rwt n ILE 143 N -3.27 1.53 1.00 1.20 2.08 -0.73 -4.62 119.36 116.56 1rwt n ILE 143 Ca -0.00 -0.24 0.10 0.00 0.56 0.00 0.00 62.75 63.17 1rwt n ILE 143 Cb 0.32 -1.94 -0.05 0.00 -0.75 0.00 0.00 39.64 37.22 1rwt n ILE 143 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rwt n ALA 144 N -3.87 4.51 0.00 -1.39 0.00 -0.34 -4.92 120.51 114.49 1rwt n ALA 144 Ca -0.45 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1rwt n ALA 144 Cb 0.81 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1rwt n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rwt n GLY 145 N 1.49 0.34 0.00 0.00 0.00 0.16 -4.67 105.19 102.52 1rwt n GLY 145 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1rwt n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 146 N 0.44 1.55 0.49 -0.02 0.00 0.48 -4.53 105.19 103.61 1rwt n GLY 146 Ca 0.00 -0.38 0.38 0.00 0.00 0.00 0.00 46.02 46.02 1rwt n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rwt h PRO 147 N 0.00 0.08 -0.62 1.61 0.11 -2.00 -0.24 132.00 130.94 1rwt h PRO 147 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rwt h PRO 147 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1rwt h PRO 147 CO 0.00 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.12 1rwt n LEU 148 N -4.59 3.96 0.00 2.35 4.77 -1.26 -5.05 117.00 117.18 1rwt n LEU 148 Ca 0.37 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 1rwt n LEU 148 Cb 1.47 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1rwt n LEU 148 CO 0.24 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1rwt n GLY 149 N 1.20 2.91 3.81 -0.72 0.00 -0.10 -4.42 105.19 107.87 1rwt n GLY 149 Ca 0.22 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1rwt n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rwt s GLU 150 N -2.04 3.16 -0.08 1.61 2.56 -1.26 -0.38 118.70 122.27 1rwt s GLU 150 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 54.97 54.23 1rwt s GLU 150 Cb 0.00 -2.92 -0.03 0.00 2.00 0.00 0.00 34.13 33.18 1rwt s GLU 150 CO 0.00 0.65 1.27 0.08 -0.56 0.00 0.00 175.26 176.71 1rwt s VAL 151 N -1.23 4.14 0.13 3.70 1.01 -1.26 -4.84 120.40 122.05 1rwt s VAL 151 Ca 0.24 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1rwt s VAL 151 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1rwt s VAL 151 CO 0.15 -0.04 0.00 0.52 0.00 0.00 0.00 175.10 175.73 1rwt n VAL 152 N 4.88 1.02 -3.98 2.92 0.31 -1.26 -4.96 118.33 117.26 1rwt n VAL 152 Ca 0.12 0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 64.46 1rwt n VAL 152 Cb 0.45 -1.40 -0.14 0.00 -0.91 0.00 0.00 33.84 31.84 1rwt n VAL 152 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rwt s ASP 153 N -5.82 4.77 0.24 4.52 -1.08 -1.26 -5.01 116.67 113.02 1rwt s ASP 153 Ca 0.00 -1.78 0.08 0.00 -0.52 0.00 0.00 52.55 50.33 1rwt s ASP 153 Cb 0.00 -1.65 0.73 0.00 -1.46 0.00 0.00 42.92 40.55 1rwt s ASP 153 CO 0.00 -0.33 1.10 -2.65 0.52 0.00 0.00 175.17 173.81 1rwt n PRO 154 N 4.41 -0.05 -0.00 4.34 -0.02 -1.26 -1.37 135.00 141.05 1rwt n PRO 154 Ca -0.05 1.01 0.03 0.00 -2.02 0.00 0.00 63.50 62.47 1rwt n PRO 154 Cb 0.42 -1.70 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 1rwt n PRO 154 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rwt n LEU 155 N -4.78 0.38 -3.31 2.45 4.77 -1.26 -4.68 117.00 110.56 1rwt n LEU 155 Ca 0.21 0.16 -0.26 0.00 -0.03 0.00 0.00 56.01 56.09 1rwt n LEU 155 Cb 0.72 0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 1rwt n LEU 155 CO -0.02 0.13 -0.02 -1.22 -1.33 0.00 0.00 177.39 174.93 1rwt n TYR 156 N -2.62 2.58 -0.25 -1.77 4.01 -0.47 -4.95 117.16 113.69 1rwt n TYR 156 Ca -0.12 -3.98 -0.01 0.00 -0.16 0.00 0.00 57.90 53.63 1rwt n TYR 156 Cb 0.78 -0.50 0.11 0.00 -0.31 0.00 0.00 39.34 39.43 1rwt n TYR 156 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rwt h PRO 157 N 3.98 0.70 0.00 -0.72 0.11 -1.82 -3.42 132.00 130.83 1rwt h PRO 157 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1rwt h PRO 157 Cb 0.71 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1rwt h PRO 157 CO 0.73 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.39 1rwt n GLY 158 N -1.30 1.07 7.00 -0.55 0.00 -1.26 -4.86 105.19 105.29 1rwt n GLY 158 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1rwt n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwt n GLY 159 N 0.00 3.24 0.30 -0.02 0.00 -1.26 0.40 105.19 107.84 1rwt n GLY 159 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1rwt n GLY 159 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rwt h SER 160 N 0.00 0.00 -0.38 1.61 0.02 -1.89 -1.72 113.55 111.18 1rwt h SER 160 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rwt h SER 160 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rwt h SER 160 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1rwt n PHE 161 N -4.13 0.76 -2.71 3.45 3.01 0.16 -3.99 117.46 114.02 1rwt n PHE 161 Ca -0.01 -0.32 -0.09 0.00 1.01 0.00 0.00 57.45 58.04 1rwt n PHE 161 Cb 0.16 -0.11 0.07 0.00 -0.01 0.00 0.00 39.48 39.58 1rwt n PHE 161 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rwt n ASP 162 N 0.59 -0.16 -0.31 4.37 2.03 -0.65 -4.61 116.55 117.82 1rwt n ASP 162 Ca 0.14 -2.67 0.14 0.00 0.52 0.00 0.00 54.79 52.93 1rwt n ASP 162 Cb 0.49 0.22 0.32 0.00 -0.72 0.00 0.00 41.12 41.44 1rwt n ASP 162 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1rwt h PRO 163 N 2.58 0.38 -0.04 -0.67 0.13 -1.69 0.80 132.00 133.50 1rwt h PRO 163 Ca -0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1rwt h PRO 163 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1rwt h PRO 163 CO 0.25 0.25 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 1rwt n LEU 164 N -5.05 0.29 -4.00 1.56 4.77 -1.26 -4.89 117.00 108.42 1rwt n LEU 164 Ca 0.23 -0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 1rwt n LEU 164 Cb 0.69 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1rwt n LEU 164 CO 0.12 0.06 -0.05 0.61 -1.33 0.00 0.00 177.39 176.81 1rwt n GLY 165 N 0.76 -0.45 0.29 -0.72 0.00 0.28 -4.79 105.19 100.55 1rwt n GLY 165 Ca 0.10 0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.42 1rwt n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwt h LEU 166 N -1.16 0.00 -3.01 0.99 3.38 -1.90 -2.12 115.31 111.48 1rwt h LEU 166 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1rwt h LEU 166 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1rwt h LEU 166 CO 0.70 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1rwt n ALA 167 N -2.02 2.67 -0.32 1.53 0.00 -1.26 -4.60 120.51 116.51 1rwt n ALA 167 Ca -0.02 -1.51 0.01 0.00 0.00 0.00 0.00 53.44 51.92 1rwt n ALA 167 Cb 0.12 -0.78 0.14 0.00 0.00 0.00 0.00 19.45 18.93 1rwt n ALA 167 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rwt h ASP 168 N 3.20 0.88 -3.27 0.00 3.32 -1.75 -3.41 116.42 115.38 1rwt h ASP 168 Ca 0.00 0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 1rwt h ASP 168 Cb 1.15 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1rwt h ASP 168 CO 0.12 0.57 0.46 -0.62 -1.72 0.00 0.00 179.24 178.05 1rwt s ASP 169 N -5.81 6.99 0.23 6.45 2.15 -1.26 -4.97 116.67 120.45 1rwt s ASP 169 Ca -0.13 1.22 -0.13 0.00 0.43 0.00 0.00 52.55 53.94 1rwt s ASP 169 Cb 0.19 -2.47 0.28 0.00 -0.30 0.00 0.00 42.92 40.62 1rwt s ASP 169 CO 0.80 -0.45 1.60 -0.65 -0.17 0.00 0.00 175.17 176.29 1rwt h PRO 170 N 7.36 -0.03 -0.62 4.34 0.11 -1.99 0.55 132.00 141.73 1rwt h PRO 170 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1rwt h PRO 170 Cb 1.12 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1rwt h PRO 170 CO 0.86 -0.02 0.04 0.93 -0.21 0.00 0.00 178.00 179.60 1rwt h GLU 171 N -0.03 1.07 -0.54 1.05 5.08 -1.95 -2.20 114.58 117.06 1rwt h GLU 171 Ca 0.35 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1rwt h GLU 171 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1rwt h GLU 171 CO -0.78 1.02 -0.07 0.00 -1.00 0.00 0.00 179.01 178.18 1rwt h ALA 172 N 1.01 0.86 -0.10 3.43 0.00 -1.69 -2.83 119.26 119.93 1rwt h ALA 172 Ca 0.18 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 172 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rwt h ALA 172 CO 0.02 0.65 -0.02 0.35 0.00 0.00 0.00 179.25 180.25 1rwt h PHE 173 N 0.88 -0.05 -0.96 0.00 3.57 -0.74 0.11 116.94 119.74 1rwt h PHE 173 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1rwt h PHE 173 Cb 0.61 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1rwt h PHE 173 CO 0.04 -0.04 0.63 0.00 -2.23 0.00 0.00 178.31 176.71 1rwt h ALA 174 N 1.10 1.39 -0.03 2.41 0.00 -1.31 -1.11 119.26 121.72 1rwt h ALA 174 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rwt h ALA 174 Cb 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1rwt h ALA 174 CO -0.10 0.50 -0.13 1.49 0.00 0.00 0.00 179.25 181.01 1rwt h GLU 175 N 1.20 0.15 -0.75 0.00 4.81 -1.22 -3.15 114.58 115.62 1rwt h GLU 175 Ca 0.39 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1rwt h GLU 175 Cb 0.04 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1rwt h GLU 175 CO -0.13 0.76 0.49 -0.07 -0.73 0.00 0.00 179.01 179.33 1rwt h LEU 176 N -0.43 0.49 -0.97 1.64 3.38 -0.55 0.03 115.31 118.90 1rwt h LEU 176 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1rwt h LEU 176 Cb 0.78 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1rwt h LEU 176 CO 0.03 0.27 0.40 0.11 0.09 0.00 0.00 178.44 179.34 1rwt h LYS 177 N 0.53 1.13 -0.31 1.13 1.57 -1.19 0.19 116.57 119.62 1rwt h LYS 177 Ca 0.36 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1rwt h LYS 177 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1rwt h LYS 177 CO -0.13 0.86 0.08 0.28 -0.57 0.00 0.00 179.45 179.97 1rwt h VAL 178 N 1.13 1.22 -0.65 0.50 2.07 -0.98 -2.08 116.25 117.46 1rwt h VAL 178 Ca 0.28 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1rwt h VAL 178 Cb 0.08 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1rwt h VAL 178 CO -0.04 0.24 0.39 0.11 0.02 0.00 0.00 177.57 178.29 1rwt h LYS 179 N 0.34 0.72 0.05 1.57 1.57 -0.82 0.23 116.57 120.24 1rwt h LYS 179 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1rwt h LYS 179 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1rwt h LYS 179 CO 0.00 0.48 -0.02 1.49 -0.57 0.00 0.00 179.45 180.82 1rwt h GLU 180 N 0.74 -0.06 0.00 3.15 4.81 -0.79 0.27 114.58 122.69 1rwt h GLU 180 Ca 0.27 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1rwt h GLU 180 Cb 0.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1rwt h GLU 180 CO -0.14 -0.02 -0.39 0.97 -0.73 0.00 0.00 179.01 178.70 1rwt h ILE 181 N -0.08 1.18 0.09 2.32 2.10 -1.12 0.34 117.51 122.34 1rwt h ILE 181 Ca -0.01 -1.40 -0.27 0.00 1.08 0.00 0.00 64.86 64.26 1rwt h ILE 181 Cb 0.07 1.78 0.02 0.00 -1.09 0.00 0.00 36.82 37.59 1rwt h ILE 181 CO 0.01 0.39 -1.17 0.11 -1.08 0.00 0.00 178.15 176.41 1rwt h LYS 182 N 0.00 0.47 -0.08 2.19 1.57 -0.71 0.12 116.57 120.13 1rwt h LYS 182 Ca -0.00 -0.63 -0.14 0.00 -1.87 0.00 0.00 60.65 58.01 1rwt h LYS 182 Cb 0.74 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1rwt h LYS 182 CO 0.05 1.26 -0.57 -0.91 -0.57 0.00 0.00 179.45 178.71 1rwt h ASN 183 N 0.21 0.26 -0.19 0.86 2.35 -0.77 -2.30 115.58 116.00 1rwt h ASN 183 Ca -0.15 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 1rwt h ASN 183 Cb 1.84 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 40.13 1rwt h ASN 183 CO 0.21 0.78 -0.12 1.23 -1.65 0.00 0.00 177.43 177.88 1rwt h GLY 184 N 1.44 0.46 1.53 2.83 0.00 -0.22 -1.72 103.07 107.38 1rwt h GLY 184 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1rwt h GLY 184 CO 0.09 0.39 -0.16 3.21 0.00 0.00 0.00 176.54 180.07 1rwt h ARG 185 N 0.11 0.56 -0.38 4.80 3.08 -0.73 -1.18 114.38 120.63 1rwt h ARG 185 Ca 0.04 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1rwt h ARG 185 Cb 0.63 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1rwt h ARG 185 CO 0.03 0.70 0.00 1.25 -1.07 0.00 0.00 179.97 180.88 1rwt h LEU 186 N 0.51 0.66 -0.90 3.04 5.85 -1.38 -1.20 115.31 121.90 1rwt h LEU 186 Ca 0.09 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1rwt h LEU 186 Cb 0.57 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1rwt h LEU 186 CO 0.04 0.81 0.36 0.00 -0.34 0.00 0.00 178.44 179.30 1rwt h ALA 187 N 0.88 1.14 -0.26 1.25 0.00 -1.03 -0.21 119.26 121.02 1rwt h ALA 187 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rwt h ALA 187 Cb 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rwt h ALA 187 CO 0.02 0.64 0.03 0.52 0.00 0.00 0.00 179.25 180.46 1rwt h MET 188 N 1.14 0.44 -0.45 0.00 2.86 -1.07 0.85 114.93 118.70 1rwt h MET 188 Ca 0.27 -0.13 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 1rwt h MET 188 Cb 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 1rwt h MET 188 CO -0.03 0.58 0.05 0.35 1.06 0.00 0.00 176.91 178.93 1rwt h PHE 189 N 0.24 0.08 -0.46 -0.22 3.57 -0.87 -1.37 116.94 117.91 1rwt h PHE 189 Ca 0.08 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1rwt h PHE 189 Cb 0.36 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1rwt h PHE 189 CO 0.03 -0.04 -0.18 0.77 -2.23 0.00 0.00 178.31 176.66 1rwt h SER 190 N 0.18 0.90 -0.00 0.41 0.02 -0.82 -2.32 113.55 111.92 1rwt h SER 190 Ca 0.22 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1rwt h SER 190 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1rwt h SER 190 CO -0.32 1.06 -0.14 0.24 -1.14 0.00 0.00 176.83 176.53 1rwt h MET 191 N 0.78 0.30 -0.67 3.45 2.86 -0.30 0.18 114.93 121.53 1rwt h MET 191 Ca 0.11 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1rwt h MET 191 Cb 0.72 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1rwt h MET 191 CO 0.06 0.45 0.15 0.35 1.06 0.00 0.00 176.91 178.97 1rwt h PHE 192 N 0.28 1.15 -0.10 -0.22 3.57 -0.97 -0.49 116.94 120.16 1rwt h PHE 192 Ca 0.05 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1rwt h PHE 192 Cb 0.43 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1rwt h PHE 192 CO 0.01 0.95 0.06 0.78 -2.23 0.00 0.00 178.31 177.88 1rwt h GLY 193 N 1.02 0.15 0.40 2.40 0.00 -0.61 -1.46 103.07 104.96 1rwt h GLY 193 Ca 0.21 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.58 1rwt h GLY 193 CO 0.01 0.06 0.30 0.74 0.00 0.00 0.00 176.54 177.64 1rwt h PHE 194 N 0.11 0.52 0.29 5.60 0.05 -0.25 0.31 116.94 123.58 1rwt h PHE 194 Ca 0.04 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.84 1rwt h PHE 194 Cb 0.02 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 37.84 1rwt h PHE 194 CO -0.06 0.16 -0.14 0.74 -0.18 0.00 0.00 178.31 178.82 1rwt h PHE 195 N 0.50 -0.36 -0.39 -0.55 0.04 -0.76 -1.49 116.94 113.93 1rwt h PHE 195 Ca 0.34 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 1rwt h PHE 195 Cb 0.40 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1rwt h PHE 195 CO -0.14 -0.20 0.09 0.28 -0.60 0.00 0.00 178.31 177.74 1rwt h VAL 196 N -0.43 1.23 -0.68 -0.55 2.07 -0.89 -2.36 116.25 114.65 1rwt h VAL 196 Ca -0.04 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1rwt h VAL 196 Cb 0.33 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1rwt h VAL 196 CO 0.07 0.27 0.45 1.56 0.02 0.00 0.00 177.57 179.94 1rwt h GLN 197 N 0.48 0.87 -0.16 1.57 4.20 -0.36 0.13 115.11 121.84 1rwt h GLN 197 Ca 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1rwt h GLN 197 Cb 0.32 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1rwt h GLN 197 CO 0.00 0.57 0.02 0.00 -0.67 0.00 0.00 178.83 178.76 1rwt h ALA 198 N 1.58 0.21 -0.67 3.87 0.00 -1.10 0.17 119.26 123.33 1rwt h ALA 198 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 198 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1rwt h ALA 198 CO -0.06 -0.13 0.31 0.82 0.00 0.00 0.00 179.25 180.19 1rwt h ILE 199 N 0.04 1.23 0.01 0.00 2.04 -0.83 -1.61 117.51 118.39 1rwt h ILE 199 Ca 0.05 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1rwt h ILE 199 Cb 0.31 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1rwt h ILE 199 CO 0.00 0.27 -0.00 0.58 0.00 0.00 0.00 178.15 179.00 1rwt h VAL 200 N 0.94 1.51 0.00 1.67 2.07 -0.68 -3.39 116.25 118.37 1rwt h VAL 200 Ca 0.23 -2.03 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 1rwt h VAL 200 Cb 0.15 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1rwt h VAL 200 CO -0.03 0.49 -0.82 0.71 0.02 0.00 0.00 177.57 177.94 1rwt h THR 201 N -0.95 0.32 -0.21 2.57 1.35 -0.76 -3.48 112.91 111.75 1rwt h THR 201 Ca -0.00 -1.53 -0.09 0.00 -0.55 0.00 0.00 66.41 64.24 1rwt h THR 201 Cb 0.82 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1rwt h THR 201 CO 0.00 0.18 -0.08 0.61 -0.25 0.00 0.00 175.52 175.98 1rwt n GLY 202 N 1.23 0.65 3.46 5.82 0.00 -0.60 -4.99 105.19 110.76 1rwt n GLY 202 Ca -0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1rwt n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rwt s LYS 203 N -1.81 1.70 0.73 1.61 1.02 -1.26 -5.09 119.74 116.63 1rwt s LYS 203 Ca 0.00 -1.96 -0.13 0.00 0.02 0.00 0.00 55.97 53.90 1rwt s LYS 203 Cb 0.00 -0.78 0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1rwt s LYS 203 CO 0.00 -0.26 1.11 0.20 -0.92 0.00 0.00 175.35 175.48 1rwt s GLY 204 N -3.50 1.94 0.18 -3.33 0.00 -1.26 -4.57 107.32 96.78 1rwt s GLY 204 Ca 0.34 0.46 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 1rwt s GLY 204 CO 0.15 0.82 1.82 -2.55 0.00 0.00 0.00 173.10 173.34 1rwt h PRO 205 N -0.61 0.64 -0.04 2.90 0.11 -1.95 -1.96 132.00 131.10 1rwt h PRO 205 Ca -0.45 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1rwt h PRO 205 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1rwt h PRO 205 CO 0.52 0.42 -0.58 -0.07 -0.21 0.00 0.00 178.00 178.07 1rwt h LEU 206 N 0.66 0.14 -1.03 2.35 3.38 -1.96 -2.52 115.31 116.32 1rwt h LEU 206 Ca 0.22 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1rwt h LEU 206 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1rwt h LEU 206 CO -0.09 0.69 -0.34 -0.08 0.09 0.00 0.00 178.44 178.71 1rwt h GLU 207 N 0.09 0.26 -0.62 1.13 4.81 -1.87 -1.91 114.58 116.48 1rwt h GLU 207 Ca -0.00 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1rwt h GLU 207 Cb 1.06 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1rwt h GLU 207 CO 0.08 0.58 0.39 -0.91 -0.73 0.00 0.00 179.01 178.41 1rwt h ASN 208 N 0.23 0.64 -0.60 1.04 -0.26 -0.95 0.10 115.58 115.78 1rwt h ASN 208 Ca 0.03 -0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.69 1rwt h ASN 208 Cb 0.71 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 1rwt h ASN 208 CO 0.05 0.45 0.09 0.25 -1.06 0.00 0.00 177.43 177.21 1rwt h LEU 209 N 0.76 0.96 -0.41 1.61 5.85 -1.09 -0.49 115.31 122.50 1rwt h LEU 209 Ca 0.24 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rwt h LEU 209 Cb -0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1rwt h LEU 209 CO -0.09 0.98 0.08 0.00 -0.34 0.00 0.00 178.44 179.07 1rwt h ALA 210 N 1.01 0.54 -0.58 1.25 0.00 -0.81 0.57 119.26 121.25 1rwt h ALA 210 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rwt h ALA 210 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1rwt h ALA 210 CO 0.01 0.24 0.27 -0.44 0.00 0.00 0.00 179.25 179.34 1rwt h ASP 211 N 0.53 0.76 0.04 0.00 3.32 -0.64 -0.40 116.42 120.04 1rwt h ASP 211 Ca 0.13 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1rwt h ASP 211 Cb 0.35 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rwt h ASP 211 CO 0.01 0.68 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.45 1rwt h HIS 212 N 0.78 -0.06 -0.01 4.55 2.76 -0.85 -2.42 115.15 119.90 1rwt h HIS 212 Ca 0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1rwt h HIS 212 Cb 0.13 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1rwt h HIS 212 CO -0.00 0.01 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.53 1rwt h LEU 213 N -0.11 0.02 -1.74 0.26 3.38 -0.67 0.13 115.31 116.59 1rwt h LEU 213 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1rwt h LEU 213 Cb 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1rwt h LEU 213 CO 0.01 0.06 -0.17 0.00 0.09 0.00 0.00 178.44 178.43 1rwt h ALA 214 N 1.94 1.40 -0.41 1.53 0.00 -0.57 -3.39 119.26 119.77 1rwt h ALA 214 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rwt h ALA 214 Cb 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1rwt h ALA 214 CO 0.01 0.21 -0.21 0.34 0.00 0.00 0.00 179.25 179.60 1rwt s ASP 215 N -6.48 -0.61 0.20 0.00 -1.08 -0.61 -5.06 116.67 103.02 1rwt s ASP 215 Ca -0.03 -0.54 -0.13 0.00 -0.52 0.00 0.00 52.55 51.34 1rwt s ASP 215 Cb 0.14 0.79 0.24 0.00 -1.46 0.00 0.00 42.92 42.63 1rwt s ASP 215 CO 0.63 -0.04 1.66 -0.65 0.52 0.00 0.00 175.17 177.29 1rwt h PRO 216 N 5.04 0.07 -0.31 4.34 0.11 -1.00 0.52 132.00 140.77 1rwt h PRO 216 Ca 0.00 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1rwt h PRO 216 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1rwt h PRO 216 CO -0.06 0.04 -0.35 0.28 -0.21 0.00 0.00 178.00 177.71 1rwt h VAL 217 N 0.07 1.29 0.00 3.15 2.07 -1.98 -3.30 116.25 117.54 1rwt h VAL 217 Ca 0.29 -1.50 -0.22 0.00 0.82 0.00 0.00 66.70 66.09 1rwt h VAL 217 Cb 0.46 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1rwt h VAL 217 CO -0.53 0.49 -1.75 0.59 0.02 0.00 0.00 177.57 176.39 1rwt n ASN 218 N -4.06 0.60 -4.18 0.57 3.02 -1.08 -4.63 115.26 105.50 1rwt n ASN 218 Ca -0.01 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 1rwt n ASN 218 Cb 0.50 0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 40.11 1rwt n ASN 218 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rwt n ASN 219 N -2.84 5.27 -2.27 6.41 3.02 0.18 -4.71 115.26 120.32 1rwt n ASN 219 Ca -0.16 -3.15 -0.10 0.00 -0.03 0.00 0.00 54.58 51.15 1rwt n ASN 219 Cb 0.93 -1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1rwt n ASN 219 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1rwt n ASN 220 N 2.25 -0.81 -0.28 6.41 0.23 -1.26 -4.05 115.26 117.75 1rwt n ASN 220 Ca 0.24 -2.21 0.16 0.00 -0.53 0.00 0.00 54.58 52.23 1rwt n ASN 220 Cb 0.37 1.54 0.43 0.00 -2.08 0.00 0.00 39.78 40.04 1rwt n ASN 220 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rwt h ALA 221 N 1.79 1.97 0.00 -2.53 0.00 -1.95 -0.73 119.26 117.82 1rwt h ALA 221 Ca -0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rwt h ALA 221 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1rwt h ALA 221 CO 0.23 -0.27 0.07 -1.49 0.00 0.00 0.00 179.25 177.79 1rwt h TRP 222 N 0.58 0.00 0.00 0.00 4.06 -1.96 -0.12 115.95 118.50 1rwt h TRP 222 Ca 0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.44 1rwt h TRP 222 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1rwt h TRP 222 CO -0.00 0.00 0.00 -0.97 -3.56 0.00 0.00 178.44 173.91 1rwt h ASN 223 N 0.00 0.00 -0.05 -3.49 -0.00 -1.41 -2.84 115.58 107.79 1rwt h ASN 223 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1rwt h ASN 223 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1rwt h ASN 223 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 177.43 177.92 1rwt n PHE 224 N -2.58 0.07 0.28 0.67 3.01 -0.06 -4.74 117.46 114.10 1rwt n PHE 224 Ca 0.01 -0.16 0.11 0.00 1.01 0.00 0.00 57.45 58.43 1rwt n PHE 224 Cb 0.22 -0.01 0.61 0.00 -0.01 0.00 0.00 39.48 40.28 1rwt n PHE 224 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rwt h ALA 225 N 0.96 1.35 -0.05 4.37 0.00 -1.49 -1.34 119.26 123.07 1rwt h ALA 225 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rwt h ALA 225 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rwt h ALA 225 CO 0.00 -0.35 -0.07 0.25 0.00 0.00 0.00 179.25 179.08 1rwt n THR 226 N -2.60 2.01 1.53 0.00 -2.24 -1.26 -4.71 114.28 107.01 1rwt n THR 226 Ca -0.01 -2.35 0.14 0.00 -2.27 0.00 0.00 64.05 59.55 1rwt n THR 226 Cb 0.42 -0.25 0.56 0.00 -2.10 0.00 0.00 70.33 68.97 1rwt n THR 226 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1rwt n ASN 227 N -1.26 1.26 -2.52 3.42 3.02 -0.51 -4.11 115.26 114.56 1rwt n ASN 227 Ca 0.18 -1.36 -0.06 0.00 -0.03 0.00 0.00 54.58 53.31 1rwt n ASN 227 Cb 0.70 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.92 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1rwt n PHE 228 N -0.07 1.53 -2.93 3.10 3.01 -1.26 -5.07 117.46 115.76 1rwt n PHE 228 Ca 0.19 -2.06 -0.41 0.00 1.01 0.00 0.00 57.45 56.19 1rwt n PHE 228 Cb 0.32 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1rwt n PHE 228 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1rwt s VAL 229 N -3.78 4.98 -0.22 -4.37 1.01 -1.26 -4.97 120.40 111.80 1rwt s VAL 229 Ca 0.34 1.65 -0.39 0.00 0.00 0.00 0.00 61.98 63.57 1rwt s VAL 229 Cb 0.35 -4.13 -0.16 0.00 0.00 0.00 0.00 36.38 32.44 1rwt s VAL 229 CO -0.03 0.21 1.69 -2.65 0.00 0.00 0.00 175.10 174.32 1rwt n PRO 230 N 3.93 1.20 0.00 2.72 -0.02 -1.26 -5.20 135.00 136.37 1rwt n PRO 230 Ca 0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1rwt n PRO 230 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89