#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 1.66 0.00 4.33 -0.04 -1.26 -3.70 135.00 135.99 1rwt n PRO 15 Ca 0.00 -1.00 0.04 0.00 -0.04 0.00 0.00 63.50 62.50 1rwt n PRO 15 Cb 0.00 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.23 0.00 -4.14 0.54 5.03 -1.26 -1.90 117.44 115.94 1rwt n TRP 16 Ca 0.15 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.58 1rwt n TRP 16 Cb 0.30 0.00 -0.09 0.00 -1.03 0.00 0.00 31.31 30.48 1rwt n TRP 16 CO 0.00 0.00 0.00 0.71 -0.03 0.00 0.00 177.69 178.37 1rwt s TYR 17 N -1.24 0.89 0.03 -5.99 2.02 -1.24 -4.67 117.35 107.14 1rwt s TYR 17 Ca 0.06 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 55.55 1rwt s TYR 17 Cb 0.06 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.19 1rwt s TYR 17 CO 0.21 -0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 1rwt n GLY 18 N -0.17 -2.16 0.26 0.71 0.00 -0.46 -3.84 105.19 99.53 1rwt n GLY 18 Ca -0.03 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 0.00 -0.49 1.61 0.13 -1.90 -3.13 132.00 128.22 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 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 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 -2.95 4.71 -4.74 1.44 8.00 -1.26 -5.01 116.55 116.75 1rwt n ASP 20 Ca 0.00 -2.73 -0.31 0.00 0.71 0.00 0.00 54.79 52.46 1rwt n ASP 20 Cb 0.27 -0.58 0.11 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.36 1.90 0.45 -1.24 1.70 -1.18 -4.87 118.95 113.34 1rwt s ARG 21 Ca 0.48 1.35 -0.23 0.00 -0.47 0.00 0.00 55.73 56.86 1rwt s ARG 21 Cb 0.35 -1.84 -0.08 0.00 -0.57 0.00 0.00 34.95 32.80 1rwt s ARG 21 CO 0.17 -1.94 1.12 0.14 -1.08 0.00 0.00 175.30 173.70 1rwt s VAL 22 N -2.71 3.35 0.27 4.99 -7.23 -0.80 -5.01 120.40 113.25 1rwt s VAL 22 Ca 0.64 0.99 0.11 0.00 -1.81 0.00 0.00 61.98 61.91 1rwt s VAL 22 Cb -0.20 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1rwt s VAL 22 CO 0.55 -0.03 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.66 1rwt s LYS 23 N -2.72 1.99 0.63 4.82 -0.14 -1.26 -4.51 119.74 118.56 1rwt s LYS 23 Ca 0.63 -1.56 0.41 0.00 -1.36 0.00 0.00 55.97 54.08 1rwt s LYS 23 Cb -0.25 -1.98 2.06 0.00 -1.68 0.00 0.00 37.83 35.97 1rwt s LYS 23 CO 0.31 0.35 2.24 0.10 -0.76 0.00 0.00 175.35 177.59 1rwt h TYR 24 N 2.15 0.00 -0.30 3.18 -0.00 -1.45 -2.13 116.97 118.41 1rwt h TYR 24 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1rwt h TYR 24 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1rwt h TYR 24 CO 0.74 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.18 1rwt n LEU 25 N -3.09 3.69 0.00 0.10 4.77 -1.26 -5.01 117.00 116.19 1rwt n LEU 25 Ca -0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1rwt n LEU 25 Cb 0.15 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1rwt n LEU 25 CO 0.23 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1rwt n GLY 26 N -0.16 3.12 0.31 -0.72 0.00 -0.80 -1.57 105.19 105.37 1rwt n GLY 26 Ca 0.19 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.14 1.61 0.11 -1.98 -0.98 132.00 130.62 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 27 CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 1rwt n PHE 28 N -4.24 0.17 0.04 0.65 3.01 -0.61 -4.32 117.46 112.17 1rwt n PHE 28 Ca 0.01 -0.09 0.02 0.00 1.01 0.00 0.00 57.45 58.41 1rwt n PHE 28 Cb 0.28 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.86 1rwt n PHE 28 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rwt n SER 29 N 0.19 0.11 0.00 4.37 7.64 -0.37 -4.88 113.62 120.68 1rwt n SER 29 Ca 0.16 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1rwt n SER 29 Cb 0.30 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1rwt n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwt n GLY 30 N -1.35 1.10 3.69 0.23 0.00 -1.26 -4.46 105.19 103.13 1rwt n GLY 30 Ca -0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 4.38 0.52 1.61 2.12 -1.26 -5.05 118.70 121.02 1rwt s GLU 31 Ca 0.00 1.04 -0.18 0.00 0.36 0.00 0.00 54.97 56.19 1rwt s GLU 31 Cb 0.00 -3.52 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 1rwt s GLU 31 CO 0.00 -0.18 1.03 0.45 -0.54 0.00 0.00 175.26 176.02 1rwt s SER 32 N 1.03 6.27 0.31 -1.70 0.15 -1.26 -5.01 113.70 113.50 1rwt s SER 32 Ca 0.40 1.81 -0.29 0.00 0.70 0.00 0.00 55.95 58.57 1rwt s SER 32 Cb -0.18 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.49 1rwt s SER 32 CO 0.16 -0.83 1.50 -2.84 1.20 0.00 0.00 173.24 172.43 1rwt s PRO 33 N -3.64 4.17 0.26 5.44 0.02 -1.26 -4.91 135.00 135.08 1rwt s PRO 33 Ca 0.64 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 64.13 1rwt s PRO 33 Cb -0.14 -3.03 0.57 0.00 0.02 0.00 0.00 34.50 31.92 1rwt s PRO 33 CO 0.27 -0.52 1.69 0.77 -0.33 0.00 0.00 177.00 178.88 1rwt h SER 34 N 4.20 0.17 0.46 2.53 0.02 -2.01 -0.91 113.55 118.02 1rwt h SER 34 Ca -0.48 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1rwt h SER 34 Cb 1.23 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1rwt h SER 34 CO 0.73 -0.01 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 1rwt n TYR 35 N -5.09 0.00 -3.52 3.45 0.18 -1.26 -4.31 117.16 106.61 1rwt n TYR 35 Ca 0.18 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.54 1rwt n TYR 35 Cb 0.54 -0.26 -0.05 0.00 -0.38 0.00 0.00 39.34 39.18 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 -2.53 6.01 -0.06 -3.48 1.43 -0.35 -4.91 118.68 114.80 1rwt s LEU 36 Ca 0.26 -2.87 0.20 0.00 -1.03 0.00 0.00 54.13 50.69 1rwt s LEU 36 Cb 0.18 -2.04 0.69 0.00 0.03 0.00 0.00 46.19 45.06 1rwt s LEU 36 CO 0.40 -0.45 1.59 0.35 0.23 0.00 0.00 176.35 178.47 1rwt n THR 37 N 3.59 1.45 -2.06 5.49 -2.24 -1.26 -4.66 114.28 114.59 1rwt n THR 37 Ca 0.12 -1.09 -0.03 0.00 -2.27 0.00 0.00 64.05 60.78 1rwt n THR 37 Cb 0.42 0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.39 0.25 0.09 3.38 0.00 -1.26 -4.30 105.19 104.74 1rwt n GLY 38 Ca 0.25 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -6.40 1.61 4.81 -1.91 -1.20 114.58 111.48 1rwt h GLU 39 Ca -0.07 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.62 1rwt h GLU 39 Cb 1.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1rwt h GLU 39 CO 0.08 0.79 -0.17 -0.06 -0.73 0.00 0.00 179.01 178.92 1rwt s PHE 40 N -2.29 3.46 0.33 0.92 0.08 -1.26 -4.96 117.98 114.25 1rwt s PHE 40 Ca -0.24 0.69 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 1rwt s PHE 40 Cb 0.04 -2.13 -0.12 0.00 -0.57 0.00 0.00 43.02 40.24 1rwt s PHE 40 CO 0.52 0.27 1.40 -2.30 -0.10 0.00 0.00 175.22 175.00 1rwt n PRO 41 N -0.45 2.34 -0.79 0.24 -0.02 -1.26 -3.00 135.00 132.05 1rwt n PRO 41 Ca -0.01 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1rwt n PRO 41 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1rwt n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rwt n GLY 42 N 1.11 0.69 3.56 -1.23 0.00 -1.26 -4.99 105.19 103.07 1rwt n GLY 42 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.29 5.81 -0.07 1.61 -1.08 -1.16 -4.73 116.67 114.76 1rwt s ASP 43 Ca 0.00 -0.84 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 1rwt s ASP 43 Cb 0.00 -2.56 0.63 0.00 -1.46 0.00 0.00 42.92 39.53 1rwt s ASP 43 CO 0.00 -2.11 1.53 -1.22 0.52 0.00 0.00 175.17 173.89 1rwt n TYR 44 N 11.29 1.21 -1.98 -5.34 4.02 -1.26 -4.83 117.16 120.27 1rwt n TYR 44 Ca 0.31 -0.51 -0.06 0.00 -0.01 0.00 0.00 57.90 57.63 1rwt n TYR 44 Cb 0.49 -0.15 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.23 0.22 3.32 2.72 0.00 -1.26 -1.09 105.19 110.34 1rwt n GLY 45 Ca 0.23 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.29 3.16 -0.39 1.61 -0.00 -1.26 -4.54 118.94 115.23 1rwt s TRP 46 Ca 0.00 -1.10 0.06 0.00 -0.00 0.00 0.00 56.10 55.06 1rwt s TRP 46 Cb 0.00 -2.25 0.30 0.00 -0.00 0.00 0.00 33.47 31.53 1rwt s TRP 46 CO 0.00 -0.61 1.24 -3.47 -0.00 0.00 0.00 176.95 174.10 1rwt n ASP 47 N 4.84 -1.83 0.30 5.86 4.64 -1.26 -5.01 116.55 124.10 1rwt n ASP 47 Ca -0.14 -2.66 0.19 0.00 -1.38 0.00 0.00 54.79 50.80 1rwt n ASP 47 Cb 0.47 1.35 1.01 0.00 -1.04 0.00 0.00 41.12 42.92 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 1.83 0.18 -0.01 5.18 1.35 -2.05 0.40 112.91 119.79 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 1.21 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1rwt h THR 48 CO -0.02 0.00 -0.37 0.00 -0.25 0.00 0.00 175.52 174.89 1rwt n ALA 49 N -2.14 3.32 -2.56 6.62 0.00 -1.26 -4.95 120.51 119.54 1rwt n ALA 49 Ca -0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 1rwt n ALA 49 Cb 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.38 -0.43 0.07 0.00 0.00 0.13 -4.87 105.19 101.47 1rwt n GLY 50 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.08 0.37 -0.16 0.99 4.77 -1.26 -3.11 117.00 115.52 1rwt n LEU 51 Ca -0.19 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1rwt n LEU 51 Cb 0.65 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1rwt n LEU 51 CO 0.32 -0.36 0.52 -1.20 -1.33 0.00 0.00 177.39 175.35 1rwt n SER 52 N -1.89 2.13 -0.23 -1.43 7.64 -1.26 -4.71 113.62 113.87 1rwt n SER 52 Ca 0.03 -3.10 0.07 0.00 1.01 0.00 0.00 58.87 56.89 1rwt n SER 52 Cb 0.24 -0.42 0.34 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.11 1.71 -2.14 -0.43 0.00 -1.94 -3.39 119.26 113.18 1rwt h ALA 53 Ca -0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1rwt h ALA 53 Cb 1.03 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1rwt h ALA 53 CO 0.00 0.14 0.66 0.34 0.00 0.00 0.00 179.25 180.40 1rwt s ASP 54 N -6.06 6.94 0.55 0.00 -1.08 -1.26 -4.92 116.67 110.84 1rwt s ASP 54 Ca -0.10 1.15 0.26 0.00 -0.52 0.00 0.00 52.55 53.34 1rwt s ASP 54 Cb 0.20 -2.49 1.45 0.00 -1.46 0.00 0.00 42.92 40.61 1rwt s ASP 54 CO 0.78 -0.65 1.99 1.55 0.52 0.00 0.00 175.17 179.37 1rwt h PRO 55 N 7.69 0.00 -0.15 4.34 0.13 -1.99 0.91 132.00 142.93 1rwt h PRO 55 Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1rwt h PRO 55 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1rwt h PRO 55 CO 0.95 0.00 -0.21 1.49 -0.23 0.00 0.00 178.00 179.99 1rwt h GLU 56 N 0.00 0.41 -0.18 0.86 4.57 -1.92 -2.04 114.58 116.29 1rwt h GLU 56 Ca 0.23 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 1rwt h GLU 56 Cb 0.98 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1rwt h GLU 56 CO -0.00 0.82 -0.53 1.15 -1.18 0.00 0.00 179.01 179.28 1rwt h THR 57 N 0.03 1.32 -0.71 0.32 2.02 -1.68 -2.96 112.91 111.26 1rwt h THR 57 Ca 0.02 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1rwt h THR 57 Cb 0.78 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1rwt h THR 57 CO 0.05 0.55 0.46 0.15 0.37 0.00 0.00 175.52 177.10 1rwt h PHE 58 N 0.40 0.91 -0.46 3.16 3.57 -0.82 0.23 116.94 123.93 1rwt h PHE 58 Ca 0.01 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1rwt h PHE 58 Cb 1.05 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1rwt h PHE 58 CO 0.04 0.59 -0.07 0.00 -2.23 0.00 0.00 178.31 176.64 1rwt h ALA 59 N 1.53 0.63 -0.52 2.41 0.00 -1.22 -1.60 119.26 120.48 1rwt h ALA 59 Ca 0.26 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1rwt h ALA 59 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1rwt h ALA 59 CO -0.05 0.49 -0.01 0.87 0.00 0.00 0.00 179.25 180.55 1rwt h LYS 60 N 0.71 0.90 -0.16 0.00 1.79 -1.13 -2.44 116.57 116.22 1rwt h LYS 60 Ca 0.12 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.21 1rwt h LYS 60 Cb 0.60 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1rwt h LYS 60 CO 0.04 0.90 -0.41 -0.91 -1.08 0.00 0.00 179.45 177.99 1rwt h ASN 61 N 0.83 0.39 -0.56 0.86 2.35 -0.40 -1.42 115.58 117.62 1rwt h ASN 61 Ca 0.15 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1rwt h ASN 61 Cb 0.50 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1rwt h ASN 61 CO 0.03 0.76 0.06 0.03 -1.65 0.00 0.00 177.43 176.65 1rwt h ARG 62 N 0.31 0.99 -0.17 0.81 3.08 -1.02 0.58 114.38 118.96 1rwt h ARG 62 Ca 0.03 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1rwt h ARG 62 Cb 0.85 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1rwt h ARG 62 CO 0.07 0.94 0.01 0.93 -1.07 0.00 0.00 179.97 180.84 1rwt h GLU 63 N 0.92 0.29 -0.93 0.04 5.08 -1.20 -1.76 114.58 117.01 1rwt h GLU 63 Ca 0.18 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1rwt h GLU 63 Cb 0.46 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1rwt h GLU 63 CO 0.02 0.50 0.60 -0.07 -1.00 0.00 0.00 179.01 179.05 1rwt h LEU 64 N 0.05 0.95 0.22 1.33 3.38 -0.97 -1.63 115.31 118.64 1rwt h LEU 64 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rwt h LEU 64 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rwt h LEU 64 CO 0.01 0.61 -0.10 -0.08 0.09 0.00 0.00 178.44 178.96 1rwt h GLU 65 N 1.09 -0.28 -0.78 1.13 4.81 -0.67 -0.82 114.58 119.06 1rwt h GLU 65 Ca 0.40 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1rwt h GLU 65 Cb 0.15 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1rwt h GLU 65 CO -0.17 -0.00 0.43 0.28 -0.73 0.00 0.00 179.01 178.82 1rwt h VAL 66 N -0.55 1.23 -0.42 0.32 2.07 -1.19 0.18 116.25 117.89 1rwt h VAL 66 Ca -0.03 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1rwt h VAL 66 Cb 0.41 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1rwt h VAL 66 CO 0.05 0.25 0.04 0.40 0.02 0.00 0.00 177.57 178.33 1rwt h ILE 67 N 1.07 1.25 -0.26 4.57 1.08 -1.31 -0.82 117.51 123.09 1rwt h ILE 67 Ca 0.27 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1rwt h ILE 67 Cb 0.02 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1rwt h ILE 67 CO -0.05 0.32 -0.01 0.45 -0.69 0.00 0.00 178.15 178.18 1rwt h HIS 68 N 0.56 0.40 -0.33 1.37 3.86 -0.80 -2.25 115.15 117.96 1rwt h HIS 68 Ca 0.12 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1rwt h HIS 68 Cb 0.42 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1rwt h HIS 68 CO 0.03 0.41 0.14 0.00 0.86 0.00 0.00 177.93 179.38 1rwt h ARG 70 N 0.39 0.62 -0.32 0.00 3.08 -0.87 -1.93 114.38 115.36 1rwt h ARG 70 Ca 0.11 -0.29 -0.18 0.00 0.07 0.00 0.00 59.98 59.69 1rwt h ARG 70 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1rwt h ARG 70 CO -0.01 0.87 -0.51 -1.49 -1.07 0.00 0.00 179.97 177.77 1rwt h TRP 71 N 0.52 1.12 -0.67 3.04 4.06 -1.32 -2.95 115.95 119.75 1rwt h TRP 71 Ca 0.06 -0.38 -0.03 0.00 2.06 0.00 0.00 58.89 60.59 1rwt h TRP 71 Cb 0.84 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.75 1rwt h TRP 71 CO 0.04 1.22 0.30 0.00 -3.56 0.00 0.00 178.44 176.43 1rwt h ALA 72 N 0.70 1.27 -0.36 1.49 0.00 -0.97 0.92 119.26 122.31 1rwt h ALA 72 Ca 0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1rwt h ALA 72 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rwt h ALA 72 CO 0.12 0.56 -0.15 0.52 0.00 0.00 0.00 179.25 180.29 1rwt h MET 73 N 0.96 0.75 -0.49 0.00 2.86 -1.35 0.17 114.93 117.82 1rwt h MET 73 Ca 0.23 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1rwt h MET 73 Cb 0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1rwt h MET 73 CO -0.03 0.93 -0.02 -0.07 1.06 0.00 0.00 176.91 178.78 1rwt h LEU 74 N 0.54 0.86 -0.68 1.22 3.38 -1.32 -2.24 115.31 117.07 1rwt h LEU 74 Ca 0.08 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1rwt h LEU 74 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1rwt h LEU 74 CO 0.05 0.97 0.11 1.23 0.09 0.00 0.00 178.44 180.89 1rwt h GLY 75 N 0.74 1.21 0.96 0.83 0.00 -0.68 0.33 103.07 106.46 1rwt h GLY 75 Ca 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1rwt h GLY 75 CO 0.03 0.75 -0.36 0.00 0.00 0.00 0.00 176.54 176.96 1rwt h ALA 76 N 1.06 -1.00 -0.81 3.60 0.00 -0.54 0.68 119.26 122.25 1rwt h ALA 76 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rwt h ALA 76 Cb 0.45 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1rwt h ALA 76 CO 0.01 -1.04 0.51 1.25 0.00 0.00 0.00 179.25 179.99 1rwt h LEU 77 N -1.05 0.84 -0.35 0.00 5.85 -1.38 -2.27 115.31 116.95 1rwt h LEU 77 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1rwt h LEU 77 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1rwt h LEU 77 CO 0.17 0.57 0.21 1.23 -0.34 0.00 0.00 178.44 180.28 1rwt h GLY 78 N 0.99 0.50 1.21 3.75 0.00 0.00 -0.54 103.07 108.99 1rwt h GLY 78 Ca 0.33 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1rwt h GLY 78 CO -0.12 0.20 0.07 0.00 0.00 0.00 0.00 176.54 176.69 1rwt h VAL 80 N 0.91 1.36 -0.37 0.00 2.07 -1.27 -3.39 116.25 115.56 1rwt h VAL 80 Ca 0.18 -2.30 0.07 0.00 0.82 0.00 0.00 66.70 65.47 1rwt h VAL 80 Cb 0.43 2.67 -0.09 0.00 -1.52 0.00 0.00 31.29 32.78 1rwt h VAL 80 CO 0.01 0.69 -0.36 0.15 0.02 0.00 0.00 177.57 178.08 1rwt h PHE 81 N 0.09 -1.03 -0.87 1.57 3.57 -1.16 -1.06 116.94 118.04 1rwt h PHE 81 Ca -0.13 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1rwt h PHE 81 Cb 1.64 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 40.85 1rwt h PHE 81 CO 0.13 -0.41 0.53 -1.35 -2.23 0.00 0.00 178.31 174.99 1rwt h PRO 82 N -0.30 1.18 -0.63 6.41 0.11 -1.77 -1.76 132.00 135.24 1rwt h PRO 82 Ca 0.15 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1rwt h PRO 82 Cb 0.56 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 1rwt h PRO 82 CO -0.53 0.82 0.24 1.49 -0.21 0.00 0.00 178.00 179.80 1rwt h GLU 83 N 1.19 0.92 0.05 1.05 4.81 -1.49 -1.04 114.58 120.08 1rwt h GLU 83 Ca 0.31 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1rwt h GLU 83 Cb -0.06 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1rwt h GLU 83 CO -0.06 0.76 -0.02 1.25 -0.73 0.00 0.00 179.01 180.21 1rwt h LEU 84 N 0.90 -0.05 -1.16 1.64 5.85 -0.69 -0.88 115.31 120.92 1rwt h LEU 84 Ca 0.21 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rwt h LEU 84 Cb 0.20 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1rwt h LEU 84 CO -0.02 0.16 0.51 -0.07 -0.34 0.00 0.00 178.44 178.68 1rwt h LEU 85 N -0.27 0.94 -0.45 2.25 3.38 -1.16 -1.98 115.31 118.03 1rwt h LEU 85 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1rwt h LEU 85 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1rwt h LEU 85 CO 0.01 0.70 0.24 0.00 0.09 0.00 0.00 178.44 179.49 1rwt h ALA 86 N 1.46 0.57 0.00 1.53 0.00 -0.97 -0.44 119.26 121.42 1rwt h ALA 86 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rwt h ALA 86 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1rwt h ALA 86 CO -0.06 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.83 1rwt n ARG 87 N -4.69 0.27 -1.16 0.00 1.74 -0.35 -1.66 116.66 110.80 1rwt n ARG 87 Ca 0.01 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.14 1rwt n ARG 87 Cb 0.09 -1.24 0.09 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.74 1.31 0.00 0.55 4.13 -0.21 -5.02 115.26 115.28 1rwt n ASN 88 Ca 0.03 -2.76 0.00 0.00 1.68 0.00 0.00 54.58 53.53 1rwt n ASN 88 Cb 0.01 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rwt n GLY 89 N -0.15 3.08 3.63 7.41 0.00 -0.67 -5.02 105.19 113.46 1rwt n GLY 89 Ca 0.11 -0.88 -0.50 0.00 0.00 0.00 0.00 46.02 44.75 1rwt n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rwt n VAL 90 N 0.00 0.02 -3.62 1.61 0.31 -0.96 -4.94 118.33 110.76 1rwt n VAL 90 Ca 0.00 -0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1rwt n VAL 90 Cb 0.00 -1.13 -0.11 0.00 -0.91 0.00 0.00 33.84 31.68 1rwt n VAL 90 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1rwt s LYS 91 N 0.83 2.94 0.32 5.55 1.02 -1.26 -3.95 119.74 125.18 1rwt s LYS 91 Ca 0.83 -1.00 0.07 0.00 0.02 0.00 0.00 55.97 55.89 1rwt s LYS 91 Cb -0.85 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 32.76 1rwt s LYS 91 CO 0.44 -0.63 0.35 -0.06 -0.92 0.00 0.00 175.35 174.53 1rwt s PHE 92 N 1.56 3.05 0.16 3.18 0.08 -1.26 -3.84 117.98 120.92 1rwt s PHE 92 Ca 0.03 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 1rwt s PHE 92 Cb -0.19 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 1rwt s PHE 92 CO 0.06 0.18 1.65 0.78 -0.10 0.00 0.00 175.22 177.80 1rwt h GLY 93 N 1.15 0.97 -5.83 4.36 0.00 -1.95 -3.42 103.07 98.35 1rwt h GLY 93 Ca -0.46 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.20 1rwt h GLY 93 CO 0.57 0.60 -0.31 -0.54 0.00 0.00 0.00 176.54 176.85 1rwt s GLU 94 N -5.21 0.45 0.05 4.80 0.41 -1.26 -5.05 118.70 112.88 1rwt s GLU 94 Ca -0.12 1.02 0.18 0.00 -0.41 0.00 0.00 54.97 55.64 1rwt s GLU 94 Cb 0.12 0.34 -0.15 0.00 -1.78 0.00 0.00 34.13 32.66 1rwt s GLU 94 CO 0.82 -0.41 0.76 0.00 -0.49 0.00 0.00 175.26 175.93 1rwt n ALA 95 N 5.41 2.04 -2.02 5.21 0.00 -1.26 -4.34 120.51 125.54 1rwt n ALA 95 Ca -0.07 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 1rwt n ALA 95 Cb 0.50 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.99 2.88 0.29 0.00 1.01 -1.26 -3.53 120.40 116.81 1rwt s VAL 96 Ca -0.04 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1rwt s VAL 96 Cb 0.09 -3.40 0.28 0.00 0.00 0.00 0.00 36.38 33.36 1rwt s VAL 96 CO 0.82 0.04 1.76 4.11 0.00 0.00 0.00 175.10 181.83 1rwt h TRP 97 N 6.89 0.94 -0.11 5.22 5.08 -1.91 -0.39 115.95 131.67 1rwt h TRP 97 Ca -0.42 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1rwt h TRP 97 Cb 1.21 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 1rwt h TRP 97 CO 0.66 0.18 0.00 1.97 -1.28 0.00 0.00 178.44 179.97 1rwt n PHE 98 N -4.83 0.16 0.00 0.12 1.16 -1.26 -3.12 117.46 109.68 1rwt n PHE 98 Ca 0.22 -0.08 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 1rwt n PHE 98 Cb 0.56 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 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 -0.16 3.78 -0.23 3.97 5.02 -0.23 -4.79 118.16 125.52 1rwt n LYS 99 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1rwt n LYS 99 Cb 0.11 -0.67 0.16 0.00 -0.02 0.00 0.00 35.03 34.60 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 0.91 -0.46 7.82 0.00 -1.30 -2.67 119.26 123.56 1rwt h ALA 100 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1rwt h ALA 100 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1rwt h ALA 100 CO 0.00 -0.26 -0.12 0.78 0.00 0.00 0.00 179.25 179.65 1rwt h GLY 101 N 0.35 0.32 1.41 0.00 0.00 -1.87 -1.84 103.07 101.44 1rwt h GLY 101 Ca 0.38 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1rwt h GLY 101 CO -0.42 -0.18 0.18 -1.14 0.00 0.00 0.00 176.54 174.98 1rwt n SER 102 N -5.34 0.16 0.24 0.19 3.41 -1.00 -2.05 113.62 109.23 1rwt n SER 102 Ca 0.04 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1rwt n SER 102 Cb 0.25 -0.45 0.56 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.00 0.00 4.33 4.20 -1.46 -1.02 115.11 121.15 1rwt h GLN 103 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rwt h GLN 103 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1rwt h GLN 103 CO 0.00 0.11 0.00 0.97 -0.67 0.00 0.00 178.83 179.24 1rwt h ILE 104 N 0.00 0.00 -0.07 2.54 6.09 -1.64 0.31 117.51 124.74 1rwt h ILE 104 Ca -0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1rwt h ILE 104 Cb 0.20 0.58 0.00 0.00 0.47 0.00 0.00 36.82 38.06 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 -2.30 0.06 -1.14 2.19 3.72 -0.39 -4.76 117.46 114.84 1rwt n PHE 105 Ca -0.01 -0.03 -0.31 0.00 -0.05 0.00 0.00 57.45 57.05 1rwt n PHE 105 Cb 0.06 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.94 4.07 0.16 4.37 0.01 0.11 -4.92 113.70 115.55 1rwt s SER 106 Ca 0.30 1.85 -0.19 0.00 1.31 0.00 0.00 55.95 59.23 1rwt s SER 106 Cb 0.20 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 64.00 1rwt s SER 106 CO 0.30 -2.32 1.67 -0.08 0.41 0.00 0.00 173.24 173.22 1rwt h GLU 107 N -1.33 -0.06 -0.02 12.44 4.81 -1.94 -2.21 114.58 126.29 1rwt h GLU 107 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1rwt h GLU 107 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1rwt h GLU 107 CO 0.50 -0.04 -0.00 0.41 -0.73 0.00 0.00 179.01 179.15 1rwt n GLY 108 N -1.31 0.09 3.98 1.92 0.00 -1.26 -5.06 105.19 103.55 1rwt n GLY 108 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.19 -0.82 3.22 -0.02 0.00 -0.83 -4.78 105.19 103.14 1rwt n GLY 109 Ca 0.18 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 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 4.11 -0.26 0.99 0.20 -0.13 -4.59 118.68 119.00 1rwt s LEU 110 Ca 0.00 -1.23 -0.10 0.00 0.69 0.00 0.00 54.13 53.49 1rwt s LEU 110 Cb 0.00 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1rwt s LEU 110 CO 0.00 -0.29 0.15 -1.81 -0.29 0.00 0.00 176.35 174.11 1rwt s ASP 111 N 1.33 5.82 0.17 3.68 1.01 -1.26 -1.76 116.67 125.66 1rwt s ASP 111 Ca -0.03 -0.02 -0.32 0.00 0.71 0.00 0.00 52.55 52.89 1rwt s ASP 111 Cb -0.20 -2.06 -0.11 0.00 1.01 0.00 0.00 42.92 41.56 1rwt s ASP 111 CO 0.01 -0.01 1.74 -0.47 0.21 0.00 0.00 175.17 176.64 1rwt s TYR 112 N 1.51 2.65 -1.89 4.23 5.04 -0.71 -0.90 117.35 127.27 1rwt s TYR 112 Ca 0.07 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1rwt s TYR 112 Cb -0.15 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.04 1rwt s TYR 112 CO 0.07 -4.38 0.00 1.28 -1.34 0.00 0.00 175.55 171.19 1rwt n LEU 113 N 4.63 -1.72 0.00 6.97 4.77 -1.26 -0.90 117.00 129.49 1rwt n LEU 113 Ca 0.16 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1rwt n LEU 113 Cb 0.37 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1rwt n LEU 113 CO 0.64 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1rwt n GLY 114 N -0.75 0.33 3.61 -0.72 0.00 -0.08 -4.74 105.19 102.83 1rwt n GLY 114 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.19 6.54 0.48 1.61 3.84 -0.08 -4.93 114.94 120.22 1rwt s ASN 115 Ca 0.00 0.51 0.32 0.00 0.21 0.00 0.00 52.86 53.90 1rwt s ASN 115 Cb 0.00 -2.35 1.72 0.00 -0.55 0.00 0.00 41.25 40.08 1rwt s ASN 115 CO 0.00 -0.50 1.97 -0.65 -2.79 0.00 0.00 177.10 175.13 1rwt h PRO 116 N 8.14 0.00 -0.02 0.43 0.11 -1.91 -1.26 132.00 137.50 1rwt h PRO 116 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1rwt h PRO 116 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rwt h PRO 116 CO 0.82 0.00 -0.11 0.43 -0.21 0.00 0.00 178.00 178.93 1rwt n SER 117 N -2.63 1.69 -4.23 -2.05 7.64 -1.26 -4.58 113.62 108.20 1rwt n SER 117 Ca -0.02 -1.43 -0.35 0.00 1.01 0.00 0.00 58.87 58.08 1rwt n SER 117 Cb 0.07 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.17 2.97 0.00 -3.43 1.43 -0.47 -4.87 118.68 112.14 1rwt s LEU 118 Ca 0.31 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1rwt s LEU 118 Cb 0.20 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1rwt s LEU 118 CO 0.40 -0.08 0.00 0.52 0.23 0.00 0.00 176.35 177.42 1rwt n VAL 119 N 4.71 0.00 -3.96 -1.59 0.31 -1.26 -1.74 118.33 114.80 1rwt n VAL 119 Ca -0.18 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.87 1rwt n VAL 119 Cb 0.49 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 -1.89 3.52 -0.00 -1.08 -4.89 115.22 109.01 1rwt n HIS 120 Ca 0.00 0.81 -0.41 0.00 0.46 0.00 0.00 57.72 58.59 1rwt n HIS 120 Cb 0.00 -3.74 -0.01 0.00 -0.12 0.00 0.00 29.99 26.12 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 -3.60 3.56 0.00 1.57 0.00 -0.73 -4.71 121.76 117.86 1rwt s ALA 121 Ca 0.33 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1rwt s ALA 121 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1rwt s ALA 121 CO 0.87 -0.94 0.00 1.04 0.00 0.00 0.00 175.76 176.73 1rwt n GLN 122 N 0.67 2.32 -3.91 0.00 1.13 -1.26 -0.96 117.38 115.38 1rwt n GLN 122 Ca 0.01 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.72 1rwt n GLN 122 Cb 0.40 -0.93 -0.14 0.00 0.11 0.00 0.00 30.24 29.68 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 -2.28 4.55 0.34 1.08 0.15 -1.26 -4.94 113.70 111.33 1rwt s SER 123 Ca 0.00 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 55.86 1rwt s SER 123 Cb 0.00 -1.72 0.61 0.00 -1.71 0.00 0.00 66.02 63.20 1rwt s SER 123 CO 0.00 -0.15 1.80 -0.29 1.20 0.00 0.00 173.24 175.80 1rwt h ILE 124 N 6.10 1.25 -0.64 6.45 6.09 -1.96 -2.15 117.51 132.65 1rwt h ILE 124 Ca -0.31 -1.18 -0.01 0.00 -1.37 0.00 0.00 64.86 61.99 1rwt h ILE 124 Cb 1.11 1.46 -0.03 0.00 0.47 0.00 0.00 36.82 39.83 1rwt h ILE 124 CO 0.58 0.36 0.37 -0.07 -3.07 0.00 0.00 178.15 176.31 1rwt h LEU 125 N 0.22 0.78 -0.24 2.19 3.38 -1.99 0.35 115.31 120.00 1rwt h LEU 125 Ca 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1rwt h LEU 125 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rwt h LEU 125 CO 0.04 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.23 1rwt h ALA 126 N 1.18 0.32 -0.04 1.53 0.00 -1.90 0.21 119.26 120.57 1rwt h ALA 126 Ca 0.23 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rwt h ALA 126 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1rwt h ALA 126 CO -0.04 0.01 -0.19 0.82 0.00 0.00 0.00 179.25 179.85 1rwt h ILE 127 N 0.20 0.53 -0.36 0.00 2.04 -1.13 -1.84 117.51 116.95 1rwt h ILE 127 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 1rwt h ILE 127 Cb 0.35 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1rwt h ILE 127 CO 0.01 0.00 -0.04 -0.25 0.00 0.00 0.00 178.15 177.86 1rwt h TRP 128 N -0.29 -0.10 -1.01 1.37 7.01 -0.76 -1.96 115.95 120.20 1rwt h TRP 128 Ca 0.07 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1rwt h TRP 128 Cb 0.39 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 1rwt h TRP 128 CO -0.26 -0.11 0.66 0.00 -2.79 0.00 0.00 178.44 175.94 1rwt h ALA 129 N 1.34 1.36 -0.39 2.65 0.00 -0.54 -1.53 119.26 122.15 1rwt h ALA 129 Ca 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1rwt h ALA 129 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rwt h ALA 129 CO -0.33 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.09 1rwt h GLN 131 N 0.75 0.51 -0.40 0.00 4.15 -0.83 0.15 115.11 119.44 1rwt h GLN 131 Ca 0.07 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1rwt h GLN 131 Cb 0.94 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 1rwt h GLN 131 CO 0.09 0.41 0.21 0.28 -1.93 0.00 0.00 178.83 177.90 1rwt h VAL 132 N 0.47 1.00 0.64 2.39 2.07 -1.27 0.95 116.25 122.50 1rwt h VAL 132 Ca 0.13 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1rwt h VAL 132 Cb 0.05 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1rwt h VAL 132 CO -0.02 0.08 -0.31 0.40 0.02 0.00 0.00 177.57 177.74 1rwt h ILE 133 N 0.43 0.16 -0.28 4.57 1.08 -1.24 -1.98 117.51 120.25 1rwt h ILE 133 Ca 0.17 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1rwt h ILE 133 Cb 0.05 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 1rwt h ILE 133 CO -0.10 0.02 0.17 -0.07 -0.69 0.00 0.00 178.15 177.48 1rwt h LEU 134 N -1.14 0.29 -0.58 1.44 3.38 -0.65 -1.75 115.31 116.29 1rwt h LEU 134 Ca -0.09 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1rwt h LEU 134 Cb 0.70 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1rwt h LEU 134 CO 0.15 0.21 -0.43 0.24 0.09 0.00 0.00 178.44 178.70 1rwt h MET 135 N 0.36 0.65 -0.28 1.13 2.86 -0.93 -1.95 114.93 116.77 1rwt h MET 135 Ca 0.11 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1rwt h MET 135 Cb -0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1rwt h MET 135 CO -0.04 0.95 -0.11 0.78 1.06 0.00 0.00 176.91 179.55 1rwt h GLY 136 N 0.99 0.50 0.51 8.32 0.00 -1.25 0.25 103.07 112.39 1rwt h GLY 136 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1rwt h GLY 136 CO 0.09 0.31 -0.17 0.00 0.00 0.00 0.00 176.54 176.76 1rwt h ALA 137 N 1.46 -0.47 -0.29 3.60 0.00 -1.12 -1.52 119.26 120.92 1rwt h ALA 137 Ca 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1rwt h ALA 137 Cb 0.46 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1rwt h ALA 137 CO 0.03 -0.52 -0.14 -0.39 0.00 0.00 0.00 179.25 178.24 1rwt h VAL 138 N -0.97 1.23 -0.39 0.00 -1.51 -1.31 -0.09 116.25 113.22 1rwt h VAL 138 Ca -0.05 -1.03 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 1rwt h VAL 138 Cb 0.52 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 1rwt h VAL 138 CO 0.08 0.34 0.10 -0.33 -1.23 0.00 0.00 177.57 176.53 1rwt h GLU 139 N 0.45 0.61 -0.55 5.19 4.39 -0.58 -1.67 114.58 122.43 1rwt h GLU 139 Ca 0.08 -0.14 0.08 0.00 0.34 0.00 0.00 59.36 59.72 1rwt h GLU 139 Cb 0.51 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 1rwt h GLU 139 CO 0.03 0.63 0.20 0.78 -1.16 0.00 0.00 179.01 179.49 1rwt h GLY 140 N 0.48 0.75 0.75 -3.84 0.00 -0.40 -1.75 103.07 99.05 1rwt h GLY 140 Ca 0.12 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1rwt h GLY 140 CO -0.00 -0.01 0.43 -0.97 0.00 0.00 0.00 176.54 175.99 1rwt h TYR 141 N 0.37 0.80 -0.04 5.60 0.99 -0.73 -0.18 116.97 123.78 1rwt h TYR 141 Ca 0.27 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.04 1rwt h TYR 141 Cb 0.31 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.79 1rwt h TYR 141 CO -0.17 0.41 0.05 -0.09 -0.00 0.00 0.00 178.16 178.36 1rwt h ARG 142 N 0.80 0.00 0.01 4.88 2.43 -0.40 1.46 114.38 123.57 1rwt h ARG 142 Ca 0.31 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.16 1rwt h ARG 142 Cb 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1rwt h ARG 142 CO -0.16 0.00 -1.74 -0.89 -1.51 0.00 0.00 179.97 175.67 1rwt n ILE 143 N -3.84 1.55 0.99 1.20 2.08 -0.63 -4.62 119.36 116.09 1rwt n ILE 143 Ca -0.02 -0.19 0.10 0.00 0.56 0.00 0.00 62.75 63.20 1rwt n ILE 143 Cb 0.14 -1.96 -0.10 0.00 -0.75 0.00 0.00 39.64 36.96 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 -3.66 4.56 0.00 -1.39 0.00 -0.17 -4.94 120.51 114.91 1rwt n ALA 144 Ca -0.40 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1rwt n ALA 144 Cb 0.78 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.48 0.91 0.00 0.00 0.00 0.50 -4.67 105.19 103.41 1rwt n GLY 145 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 1.16 1.09 0.25 -0.02 0.00 0.06 -4.39 105.19 103.34 1rwt n GLY 146 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.04 -0.13 1.61 0.11 -2.00 -2.08 132.00 129.56 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 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1rwt h PRO 147 CO 0.00 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 1rwt n LEU 148 N -5.39 1.00 0.00 2.35 4.77 -1.26 -4.98 117.00 113.48 1rwt n LEU 148 Ca 0.10 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1rwt n LEU 148 Cb 0.38 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1rwt n LEU 148 CO 0.05 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1rwt n GLY 149 N 0.93 2.93 3.91 -0.72 0.00 -0.78 -4.40 105.19 107.07 1rwt n GLY 149 Ca 0.12 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.13 3.50 -0.35 1.61 2.56 -1.26 -0.76 118.70 121.86 1rwt s GLU 150 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 54.97 54.34 1rwt s GLU 150 Cb 0.00 -2.97 0.02 0.00 2.00 0.00 0.00 34.13 33.17 1rwt s GLU 150 CO 0.00 0.56 1.14 0.08 -0.56 0.00 0.00 175.26 176.48 1rwt s VAL 151 N -1.57 4.36 0.00 3.70 1.01 -1.26 -4.89 120.40 121.74 1rwt s VAL 151 Ca 0.37 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1rwt s VAL 151 Cb -0.13 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1rwt s VAL 151 CO 0.27 -0.61 0.00 0.52 0.00 0.00 0.00 175.10 175.28 1rwt n VAL 152 N 6.19 0.00 -3.18 2.92 0.31 -1.26 -4.95 118.33 118.36 1rwt n VAL 152 Ca 0.13 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.05 1rwt n VAL 152 Cb 0.47 -0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.15 6.47 0.27 4.52 -1.08 -1.26 -4.96 116.67 120.78 1rwt s ASP 153 Ca 0.00 0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 52.50 1rwt s ASP 153 Cb 0.00 -2.30 0.60 0.00 -1.46 0.00 0.00 42.92 39.76 1rwt s ASP 153 CO 0.00 -0.37 1.65 -0.65 0.52 0.00 0.00 175.17 176.31 1rwt h PRO 154 N 8.08 0.19 0.00 4.34 0.11 -1.94 -2.93 132.00 139.84 1rwt h PRO 154 Ca -0.28 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.61 1rwt h PRO 154 Cb 1.13 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 154 CO 0.76 0.12 -1.63 1.28 -0.21 0.00 0.00 178.00 178.31 1rwt n LEU 155 N -5.25 0.70 -3.52 2.35 4.77 -1.26 -4.66 117.00 110.13 1rwt n LEU 155 Ca 0.18 0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 1rwt n LEU 155 Cb 0.60 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.74 1rwt n LEU 155 CO 0.07 0.23 0.03 -1.22 -1.33 0.00 0.00 177.39 175.16 1rwt n TYR 156 N -2.86 3.29 0.13 -1.77 4.01 -1.11 -4.95 117.16 113.89 1rwt n TYR 156 Ca -0.14 -4.15 -0.14 0.00 -0.16 0.00 0.00 57.90 53.31 1rwt n TYR 156 Cb 0.91 -0.55 -0.07 0.00 -0.31 0.00 0.00 39.34 39.32 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 4.47 -0.59 0.00 -0.72 0.11 -1.82 -3.41 132.00 130.04 1rwt h PRO 157 Ca 0.18 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1rwt h PRO 157 Cb 0.70 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1rwt h PRO 157 CO 0.78 -0.39 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1rwt n GLY 158 N -1.44 -0.84 7.00 -0.55 0.00 -1.26 -4.87 105.19 103.23 1rwt n GLY 158 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 2.90 0.31 -0.02 0.00 -1.26 -1.02 105.19 106.09 1rwt n GLY 159 Ca 0.00 0.28 0.17 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.46 1.61 0.02 -1.91 -1.55 113.55 111.25 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 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 1rwt n PHE 161 N -3.63 0.61 -2.86 3.45 3.01 -0.19 -4.20 117.46 113.66 1rwt n PHE 161 Ca -0.03 -0.30 -0.12 0.00 1.01 0.00 0.00 57.45 58.01 1rwt n PHE 161 Cb 0.09 0.00 0.02 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 1.02 0.68 -0.23 4.37 2.03 -0.59 -4.68 116.55 119.15 1rwt n ASP 162 Ca 0.18 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.62 1rwt n ASP 162 Cb 0.46 -0.27 0.06 0.00 -0.72 0.00 0.00 41.12 40.65 1rwt n ASP 162 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1rwt h PRO 163 N 2.91 -0.03 0.00 -0.67 0.11 -1.73 0.26 132.00 132.85 1rwt h PRO 163 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1rwt h PRO 163 Cb 1.11 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rwt h PRO 163 CO 0.43 -0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.47 1rwt n LEU 164 N -5.46 0.00 -2.62 2.35 4.77 -1.26 -4.88 117.00 109.90 1rwt n LEU 164 Ca 0.08 0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 1rwt n LEU 164 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1rwt n LEU 164 CO 0.01 -0.06 -0.17 0.61 -1.33 0.00 0.00 177.39 176.45 1rwt n GLY 165 N 0.36 -0.50 0.27 -0.72 0.00 0.92 -4.84 105.19 100.68 1rwt n GLY 165 Ca 0.12 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.39 0.00 -2.69 0.99 3.38 -1.90 -1.86 115.31 112.84 1rwt h LEU 166 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1rwt h LEU 166 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1rwt h LEU 166 CO 0.53 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1rwt n ALA 167 N -1.98 2.33 -0.16 1.53 0.00 -1.26 -4.61 120.51 116.36 1rwt n ALA 167 Ca -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 53.44 52.19 1rwt n ALA 167 Cb 0.11 -0.78 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 3.68 0.28 -3.02 0.00 3.32 -1.72 -3.41 116.42 115.55 1rwt h ASP 168 Ca 0.00 0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.52 1rwt h ASP 168 Cb 0.91 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 1rwt h ASP 168 CO 0.00 0.19 0.82 -0.62 -1.72 0.00 0.00 179.24 177.92 1rwt s ASP 169 N -5.44 7.04 0.26 6.45 2.15 -1.26 -4.94 116.67 120.93 1rwt s ASP 169 Ca -0.13 1.54 -0.08 0.00 0.43 0.00 0.00 52.55 54.31 1rwt s ASP 169 Cb 0.14 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.67 1rwt s ASP 169 CO 0.73 -0.69 1.60 -0.65 -0.17 0.00 0.00 175.17 175.99 1rwt h PRO 170 N 7.73 0.03 0.57 4.34 0.11 -1.99 0.62 132.00 143.41 1rwt h PRO 170 Ca -0.24 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1rwt h PRO 170 Cb 1.09 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1rwt h PRO 170 CO 0.96 0.02 -0.27 0.93 -0.21 0.00 0.00 178.00 179.43 1rwt h GLU 171 N 0.03 -0.74 -0.52 1.05 5.08 -1.95 -1.96 114.58 115.57 1rwt h GLU 171 Ca 0.44 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.96 1rwt h GLU 171 Cb 0.74 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1rwt h GLU 171 CO -0.83 -0.43 0.36 0.00 -1.00 0.00 0.00 179.01 177.11 1rwt h ALA 172 N -0.73 2.22 -0.01 3.43 0.00 -1.85 -1.59 119.26 120.74 1rwt h ALA 172 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rwt h ALA 172 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rwt h ALA 172 CO 0.13 -0.36 -0.00 0.35 0.00 0.00 0.00 179.25 179.37 1rwt h PHE 173 N 0.20 0.01 -0.44 0.00 3.57 -0.76 -1.01 116.94 118.52 1rwt h PHE 173 Ca 0.25 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.85 1rwt h PHE 173 Cb 0.71 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1rwt h PHE 173 CO -0.00 0.37 0.31 0.00 -2.23 0.00 0.00 178.31 176.76 1rwt h ALA 174 N 0.64 2.26 0.16 2.41 0.00 -0.50 -1.89 119.26 122.34 1rwt h ALA 174 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1rwt h ALA 174 Cb 0.37 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rwt h ALA 174 CO 0.00 -0.38 -1.19 1.49 0.00 0.00 0.00 179.25 179.17 1rwt h GLU 175 N 0.11 0.34 -0.59 0.00 4.81 -1.33 -3.29 114.58 114.64 1rwt h GLU 175 Ca 0.21 -0.58 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1rwt h GLU 175 Cb 0.67 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1rwt h GLU 175 CO -0.02 1.28 0.39 -0.07 -0.73 0.00 0.00 179.01 179.86 1rwt h LEU 176 N -0.21 0.48 -1.15 1.64 3.38 -0.66 0.32 115.31 119.12 1rwt h LEU 176 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1rwt h LEU 176 Cb 1.82 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1rwt h LEU 176 CO 0.15 0.31 0.39 0.11 0.09 0.00 0.00 178.44 179.50 1rwt h LYS 177 N 0.55 0.98 -0.27 1.13 1.57 -1.45 0.45 116.57 119.53 1rwt h LYS 177 Ca 0.26 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1rwt h LYS 177 Cb 0.31 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1rwt h LYS 177 CO -0.08 0.72 -0.03 0.28 -0.57 0.00 0.00 179.45 179.77 1rwt h VAL 178 N 0.99 1.27 -0.66 0.50 2.07 -1.04 -2.06 116.25 117.33 1rwt h VAL 178 Ca 0.25 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1rwt h VAL 178 Cb 0.02 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1rwt h VAL 178 CO -0.04 0.32 0.30 0.11 0.02 0.00 0.00 177.57 178.27 1rwt h LYS 179 N 0.27 0.94 0.36 1.57 1.57 -0.79 -0.79 116.57 119.70 1rwt h LYS 179 Ca 0.07 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1rwt h LYS 179 Cb 0.48 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1rwt h LYS 179 CO 0.02 0.74 -0.17 1.49 -0.57 0.00 0.00 179.45 180.96 1rwt h GLU 180 N 0.94 -0.46 -0.77 3.15 4.81 -0.76 -0.45 114.58 121.04 1rwt h GLU 180 Ca 0.23 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1rwt h GLU 180 Cb 0.13 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1rwt h GLU 180 CO -0.03 -0.22 0.46 0.82 -0.73 0.00 0.00 179.01 179.32 1rwt h ILE 181 N -0.63 1.03 -0.33 2.32 1.08 -1.21 0.38 117.51 120.15 1rwt h ILE 181 Ca -0.05 -0.29 -0.13 0.00 -0.39 0.00 0.00 64.86 64.00 1rwt h ILE 181 Cb 0.46 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1rwt h ILE 181 CO 0.08 0.16 -0.30 0.11 -0.69 0.00 0.00 178.15 177.51 1rwt h LYS 182 N 0.86 0.79 -0.18 2.37 1.57 -1.07 0.35 116.57 121.26 1rwt h LYS 182 Ca 0.33 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1rwt h LYS 182 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1rwt h LYS 182 CO -0.16 1.04 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.51 1rwt h ASN 183 N 0.57 0.38 -0.19 0.86 2.35 -0.79 -1.99 115.58 116.78 1rwt h ASN 183 Ca 0.06 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1rwt h ASN 183 Cb 0.87 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1rwt h ASN 183 CO 0.08 0.70 -0.06 1.23 -1.65 0.00 0.00 177.43 177.72 1rwt h GLY 184 N 1.09 0.40 1.40 2.83 0.00 0.11 -1.93 103.07 106.98 1rwt h GLY 184 Ca 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1rwt h GLY 184 CO 0.06 0.31 0.03 3.21 0.00 0.00 0.00 176.54 180.16 1rwt h ARG 185 N 0.08 0.74 -0.54 4.80 3.08 -0.23 -1.18 114.38 121.13 1rwt h ARG 185 Ca 0.05 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1rwt h ARG 185 Cb 0.52 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1rwt h ARG 185 CO 0.02 0.73 0.05 1.25 -1.07 0.00 0.00 179.97 180.95 1rwt h LEU 186 N 0.70 0.85 -0.59 3.04 5.85 -1.29 -1.32 115.31 122.57 1rwt h LEU 186 Ca 0.15 -0.20 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1rwt h LEU 186 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1rwt h LEU 186 CO 0.01 0.89 -0.60 0.00 -0.34 0.00 0.00 178.44 178.40 1rwt h ALA 187 N 1.21 0.78 -0.36 1.25 0.00 -0.88 -1.36 119.26 119.90 1rwt h ALA 187 Ca 0.17 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1rwt h ALA 187 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rwt h ALA 187 CO 0.02 0.72 -0.21 0.52 0.00 0.00 0.00 179.25 180.29 1rwt h MET 188 N 0.26 0.78 -0.62 0.00 2.86 -0.97 0.13 114.93 117.37 1rwt h MET 188 Ca -0.01 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1rwt h MET 188 Cb 1.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1rwt h MET 188 CO 0.10 0.98 0.40 0.35 1.06 0.00 0.00 176.91 179.81 1rwt h PHE 189 N 0.57 0.79 -0.32 -0.22 3.57 -1.16 -1.44 116.94 118.73 1rwt h PHE 189 Ca 0.08 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1rwt h PHE 189 Cb 0.77 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1rwt h PHE 189 CO 0.06 0.51 -0.40 0.77 -2.23 0.00 0.00 178.31 177.03 1rwt h SER 190 N 0.84 0.91 -0.45 0.41 0.02 -1.05 -2.31 113.55 111.92 1rwt h SER 190 Ca 0.23 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1rwt h SER 190 Cb -0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1rwt h SER 190 CO -0.05 1.22 0.20 0.24 -1.14 0.00 0.00 176.83 177.30 1rwt h MET 191 N 0.63 0.71 -0.70 3.45 2.86 -0.47 0.31 114.93 121.71 1rwt h MET 191 Ca 0.04 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1rwt h MET 191 Cb 0.99 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1rwt h MET 191 CO 0.10 0.59 0.23 0.35 1.06 0.00 0.00 176.91 179.24 1rwt h PHE 192 N 0.71 1.10 -0.44 -0.22 3.57 -1.13 -0.38 116.94 120.16 1rwt h PHE 192 Ca 0.17 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1rwt h PHE 192 Cb 0.15 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1rwt h PHE 192 CO 0.01 0.87 0.06 0.78 -2.23 0.00 0.00 178.31 177.79 1rwt h GLY 193 N 1.09 0.79 0.92 2.40 0.00 -0.50 -1.51 103.07 106.27 1rwt h GLY 193 Ca 0.23 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1rwt h GLY 193 CO -0.01 0.50 0.59 0.74 0.00 0.00 0.00 176.54 178.35 1rwt h PHE 194 N 0.59 1.10 -0.02 5.60 0.05 0.17 0.11 116.94 124.53 1rwt h PHE 194 Ca 0.13 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.95 1rwt h PHE 194 Cb 0.40 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.98 1rwt h PHE 194 CO 0.03 0.65 0.01 0.74 -0.18 0.00 0.00 178.31 179.56 1rwt h PHE 195 N 1.16 0.03 -0.31 -0.55 0.04 -0.72 -1.60 116.94 114.99 1rwt h PHE 195 Ca 0.35 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.02 1rwt h PHE 195 Cb -0.05 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1rwt h PHE 195 CO -0.01 0.14 -0.20 0.28 -0.60 0.00 0.00 178.31 177.91 1rwt h VAL 196 N -0.08 1.30 -0.72 -0.55 2.07 -1.01 -2.75 116.25 114.51 1rwt h VAL 196 Ca 0.01 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1rwt h VAL 196 Cb 0.12 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1rwt h VAL 196 CO -0.00 0.43 0.41 1.56 0.02 0.00 0.00 177.57 179.98 1rwt h GLN 197 N 0.44 0.98 -0.25 1.57 4.20 -0.79 -0.34 115.11 120.92 1rwt h GLN 197 Ca 0.06 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1rwt h GLN 197 Cb 0.75 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1rwt h GLN 197 CO 0.06 0.71 0.15 0.00 -0.67 0.00 0.00 178.83 179.07 1rwt h ALA 198 N 1.45 0.32 -0.64 3.87 0.00 -1.20 0.24 119.26 123.30 1rwt h ALA 198 Ca 0.25 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1rwt h ALA 198 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rwt h ALA 198 CO -0.04 -0.17 0.09 0.82 0.00 0.00 0.00 179.25 179.94 1rwt h ILE 199 N 0.31 1.26 0.00 0.00 2.04 -1.13 -1.95 117.51 118.05 1rwt h ILE 199 Ca 0.09 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1rwt h ILE 199 Cb 0.03 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1rwt h ILE 199 CO -0.02 0.39 -0.00 0.58 0.00 0.00 0.00 178.15 179.10 1rwt h VAL 200 N 0.99 1.64 0.00 1.67 2.07 -0.81 -3.39 116.25 118.42 1rwt h VAL 200 Ca 0.19 -2.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.39 1rwt h VAL 200 Cb 0.45 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1rwt h VAL 200 CO 0.02 0.55 -1.04 0.71 0.02 0.00 0.00 177.57 177.82 1rwt h THR 201 N -0.99 0.48 -0.44 2.57 1.35 -0.65 -3.48 112.91 111.74 1rwt h THR 201 Ca -0.00 -1.82 -0.19 0.00 -0.55 0.00 0.00 66.41 63.85 1rwt h THR 201 Cb 0.91 2.03 -0.07 0.00 -1.73 0.00 0.00 68.15 69.28 1rwt h THR 201 CO 0.00 0.27 -0.17 0.61 -0.25 0.00 0.00 175.52 175.98 1rwt n GLY 202 N 1.30 1.07 3.43 5.82 0.00 -0.73 -5.00 105.19 111.08 1rwt n GLY 202 Ca -0.04 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.63 1.73 0.60 1.61 1.02 -1.26 -5.09 119.74 115.71 1rwt s LYS 203 Ca 0.00 -2.01 -0.15 0.00 0.02 0.00 0.00 55.97 53.83 1rwt s LYS 203 Cb 0.00 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 1rwt s LYS 203 CO 0.00 -0.39 1.05 0.20 -0.92 0.00 0.00 175.35 175.30 1rwt s GLY 204 N -3.49 2.08 0.53 -3.33 0.00 -1.26 -4.60 107.32 97.24 1rwt s GLY 204 Ca 0.31 0.35 0.19 0.00 0.00 0.00 0.00 44.72 45.57 1rwt s GLY 204 CO 0.15 0.67 2.11 -0.56 0.00 0.00 0.00 173.10 175.48 1rwt h PRO 205 N 0.36 0.00 0.00 2.90 0.13 -1.96 -1.38 132.00 132.05 1rwt h PRO 205 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1rwt h PRO 205 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1rwt h PRO 205 CO 0.58 0.00 -1.19 -0.07 -0.23 0.00 0.00 178.00 177.09 1rwt h LEU 206 N 0.00 0.01 -0.94 1.56 3.38 -1.96 -2.91 115.31 114.45 1rwt h LEU 206 Ca 0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1rwt h LEU 206 Cb 0.26 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rwt h LEU 206 CO -0.00 1.01 -0.52 -0.08 0.09 0.00 0.00 178.44 178.93 1rwt h GLU 207 N 0.00 0.03 0.11 1.13 4.81 -1.76 -1.83 114.58 117.07 1rwt h GLU 207 Ca -0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1rwt h GLU 207 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1rwt h GLU 207 CO 0.12 0.54 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.98 1rwt h ASN 208 N 0.02 -0.13 -0.90 1.04 -0.26 -1.24 0.30 115.58 114.41 1rwt h ASN 208 Ca -0.00 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1rwt h ASN 208 Cb 0.93 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 38.18 1rwt h ASN 208 CO 0.07 -0.04 0.58 0.25 -1.06 0.00 0.00 177.43 177.23 1rwt h LEU 209 N -0.21 1.05 -0.15 1.61 5.85 -1.31 0.71 115.31 122.87 1rwt h LEU 209 Ca -0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rwt h LEU 209 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1rwt h LEU 209 CO 0.03 0.78 0.06 0.00 -0.34 0.00 0.00 178.44 178.96 1rwt h ALA 210 N 1.32 0.19 -0.73 1.25 0.00 -1.07 -0.95 119.26 119.27 1rwt h ALA 210 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1rwt h ALA 210 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1rwt h ALA 210 CO -0.07 -0.22 0.35 -0.44 0.00 0.00 0.00 179.25 178.88 1rwt h ASP 211 N 0.09 0.93 -0.03 0.00 3.32 -0.54 -2.06 116.42 118.13 1rwt h ASP 211 Ca 0.05 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1rwt h ASP 211 Cb 0.17 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1rwt h ASP 211 CO -0.00 0.79 0.01 -0.74 -1.72 0.00 0.00 179.24 177.57 1rwt h HIS 212 N 1.03 0.05 0.00 4.55 2.76 -0.57 -2.20 115.15 120.77 1rwt h HIS 212 Ca 0.25 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1rwt h HIS 212 Cb 0.10 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1rwt h HIS 212 CO 0.01 0.21 0.00 1.28 -1.30 0.00 0.00 177.93 178.14 1rwt n LEU 213 N -4.97 0.35 0.18 0.26 4.77 -0.39 -0.81 117.00 116.39 1rwt n LEU 213 Ca -0.07 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 1rwt n LEU 213 Cb 0.12 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 40.70 1rwt n LEU 213 CO 0.33 -0.62 0.59 0.00 -1.33 0.00 0.00 177.39 176.36 1rwt h ALA 214 N 2.15 0.86 -0.35 -1.18 0.00 -0.72 -3.42 119.26 116.59 1rwt h ALA 214 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rwt h ALA 214 Cb 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.76 1rwt h ALA 214 CO 0.00 0.00 -0.19 0.34 0.00 0.00 0.00 179.25 179.40 1rwt s ASP 215 N -5.93 -0.53 0.28 0.00 -1.08 0.01 -5.03 116.67 104.40 1rwt s ASP 215 Ca 0.05 -0.46 0.03 0.00 -0.52 0.00 0.00 52.55 51.64 1rwt s ASP 215 Cb 0.06 0.68 0.66 0.00 -1.46 0.00 0.00 42.92 42.86 1rwt s ASP 215 CO 0.70 -0.04 1.75 -0.65 0.52 0.00 0.00 175.17 177.46 1rwt h PRO 216 N 4.95 0.62 0.01 4.34 0.11 -1.30 0.30 132.00 141.02 1rwt h PRO 216 Ca -0.00 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 1rwt h PRO 216 Cb 1.19 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1rwt h PRO 216 CO -0.07 0.41 -1.05 0.28 -0.21 0.00 0.00 178.00 177.36 1rwt h VAL 217 N 0.63 1.66 0.03 3.15 2.07 -1.97 -3.39 116.25 118.45 1rwt h VAL 217 Ca 0.53 -3.37 -0.37 0.00 0.82 0.00 0.00 66.70 64.32 1rwt h VAL 217 Cb 0.84 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.40 1rwt h VAL 217 CO -0.40 0.95 -2.23 0.59 0.02 0.00 0.00 177.57 176.50 1rwt n ASN 218 N -3.36 1.44 -4.37 0.57 3.02 -0.99 -4.68 115.26 106.89 1rwt n ASN 218 Ca -0.01 0.06 -0.45 0.00 -0.03 0.00 0.00 54.58 54.14 1rwt n ASN 218 Cb 0.95 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1rwt n ASN 218 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rwt s ASN 219 N -6.37 7.15 0.33 6.41 0.01 0.10 -4.66 114.94 117.91 1rwt s ASN 219 Ca -0.22 -3.27 -0.05 0.00 -0.71 0.00 0.00 52.86 48.62 1rwt s ASN 219 Cb 0.08 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.49 1rwt s ASN 219 CO 0.72 -0.45 0.48 0.54 -1.51 0.00 0.00 177.10 176.88 1rwt s ASN 220 N 1.84 0.70 0.42 -1.22 2.20 -1.26 -4.25 114.94 113.37 1rwt s ASN 220 Ca 0.31 -1.39 0.20 0.00 -0.94 0.00 0.00 52.86 51.04 1rwt s ASN 220 Cb -0.08 0.65 1.15 0.00 -2.00 0.00 0.00 41.25 40.97 1rwt s ASN 220 CO -0.07 -1.28 1.80 0.00 -2.94 0.00 0.00 177.10 174.62 1rwt h ALA 221 N 2.15 2.32 0.00 3.54 0.00 -1.95 0.01 119.26 125.32 1rwt h ALA 221 Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rwt h ALA 221 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rwt h ALA 221 CO 0.39 -0.68 0.00 -1.49 0.00 0.00 0.00 179.25 177.47 1rwt h TRP 222 N 0.35 0.00 0.00 0.00 4.06 -1.97 -0.44 115.95 117.96 1rwt h TRP 222 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 1rwt h TRP 222 Cb 1.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.64 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 -0.08 -3.49 -0.00 -1.25 -2.80 115.58 107.95 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 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 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 -2.96 0.10 0.29 0.67 3.01 -0.17 -4.75 117.46 113.65 1rwt n PHE 224 Ca -0.01 -0.18 0.14 0.00 1.01 0.00 0.00 57.45 58.41 1rwt n PHE 224 Cb 0.20 -0.01 0.67 0.00 -0.01 0.00 0.00 39.48 40.32 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 1.37 1.57 -0.17 4.37 0.00 -1.53 -0.99 119.26 123.89 1rwt h ALA 225 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rwt h ALA 225 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rwt h ALA 225 CO 0.00 -0.52 0.00 0.25 0.00 0.00 0.00 179.25 178.98 1rwt n THR 226 N -2.92 1.65 0.22 0.00 -2.24 -1.26 -4.66 114.28 105.07 1rwt n THR 226 Ca 0.00 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.29 1rwt n THR 226 Cb 0.54 0.07 0.17 0.00 -2.10 0.00 0.00 70.33 69.00 1rwt n THR 226 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1rwt h ASN 227 N 1.10 0.00 -0.66 3.42 4.21 -1.52 -3.32 115.58 118.81 1rwt h ASN 227 Ca 0.00 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 57.05 1rwt h ASN 227 Cb 1.00 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 37.89 1rwt h ASN 227 CO 0.08 0.01 -0.38 0.49 -1.29 0.00 0.00 177.43 176.33 1rwt n PHE 228 N -3.10 2.30 -2.81 1.19 3.01 -1.26 -5.02 117.46 111.76 1rwt n PHE 228 Ca 0.04 -2.19 -0.41 0.00 1.01 0.00 0.00 57.45 55.89 1rwt n PHE 228 Cb 0.53 -0.55 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 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 -4.29 4.90 0.08 -4.37 1.01 -1.25 -5.02 120.40 111.46 1rwt s VAL 229 Ca 0.51 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 64.03 1rwt s VAL 229 Cb 0.42 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1rwt s VAL 229 CO 0.01 0.13 1.33 -2.16 0.00 0.00 0.00 175.10 174.42 1rwt s PRO 230 N 1.34 4.35 0.00 2.72 0.04 -1.26 -5.19 135.00 137.00 1rwt s PRO 230 Ca 0.46 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1rwt s PRO 230 Cb -0.19 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1rwt s PRO 230 CO 0.21 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.26