#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 1.36 0.00 4.33 -0.04 -1.26 -3.84 135.00 135.55 1rwt n PRO 15 Ca 0.00 -0.63 0.08 0.00 -0.04 0.00 0.00 63.50 62.91 1rwt n PRO 15 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.27 0.00 -4.18 0.54 7.02 -1.26 -1.62 117.44 117.67 1rwt n TRP 16 Ca 0.19 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.55 1rwt n TRP 16 Cb 0.29 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.09 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 -1.93 1.10 0.11 -5.99 2.02 -1.25 -4.66 117.35 106.74 1rwt s TYR 17 Ca 0.14 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1rwt s TYR 17 Cb 0.14 -0.46 0.00 0.00 -0.40 0.00 0.00 41.96 41.24 1rwt s TYR 17 CO 0.41 -0.73 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1rwt n GLY 18 N -0.33 -1.87 0.28 0.71 0.00 -0.30 -3.77 105.19 99.91 1rwt n GLY 18 Ca 0.02 -1.42 0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.33 0.00 -0.36 1.61 0.13 -1.88 -2.87 132.00 128.30 1rwt h PRO 19 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1rwt h PRO 19 Cb 0.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1rwt h PRO 19 CO 0.01 0.00 0.02 -0.25 -0.23 0.00 0.00 178.00 177.55 1rwt n ASP 20 N -2.83 4.12 -4.68 1.44 8.00 -1.26 -5.01 116.55 116.33 1rwt n ASP 20 Ca -0.02 -3.10 -0.30 0.00 0.71 0.00 0.00 54.79 52.09 1rwt n ASP 20 Cb 0.10 -0.59 0.16 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.88 0.91 0.42 -1.24 1.70 -1.08 -4.91 118.95 111.87 1rwt s ARG 21 Ca 0.46 0.97 -0.23 0.00 -0.47 0.00 0.00 55.73 56.45 1rwt s ARG 21 Cb 0.37 -1.76 -0.09 0.00 -0.57 0.00 0.00 34.95 32.90 1rwt s ARG 21 CO 0.09 -2.52 1.05 0.14 -1.08 0.00 0.00 175.30 172.99 1rwt s VAL 22 N -2.81 3.70 0.31 4.99 -7.23 -0.64 -5.02 120.40 113.71 1rwt s VAL 22 Ca 0.65 1.25 0.10 0.00 -1.81 0.00 0.00 61.98 62.16 1rwt s VAL 22 Cb -0.20 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 1rwt s VAL 22 CO 0.58 -0.04 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.75 1rwt s LYS 23 N -2.65 2.03 0.13 4.82 -0.14 -1.26 -4.46 119.74 118.20 1rwt s LYS 23 Ca 0.60 -1.70 0.13 0.00 -1.36 0.00 0.00 55.97 53.64 1rwt s LYS 23 Cb -0.21 -1.93 0.63 0.00 -1.68 0.00 0.00 37.83 34.64 1rwt s LYS 23 CO 0.26 0.22 1.42 2.48 -0.76 0.00 0.00 175.35 178.97 1rwt n TYR 24 N -0.87 0.34 -0.53 3.18 0.18 -0.29 -1.87 117.16 117.29 1rwt n TYR 24 Ca -0.05 0.16 0.05 0.00 1.88 0.00 0.00 57.90 59.94 1rwt n TYR 24 Cb 0.61 -0.75 0.08 0.00 -0.38 0.00 0.00 39.34 38.90 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 -1.83 2.27 0.00 -3.48 4.77 -1.26 -5.04 117.00 112.44 1rwt n LEU 25 Ca 0.01 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 1rwt n LEU 25 Cb 0.10 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1rwt n LEU 25 CO 0.10 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1rwt n GLY 26 N -0.89 3.92 0.28 -0.72 0.00 -0.78 -1.91 105.19 105.09 1rwt n GLY 26 Ca 0.09 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 0.42 -0.39 1.61 0.11 -1.98 -2.86 132.00 128.91 1rwt h PRO 27 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rwt h PRO 27 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1rwt h PRO 27 CO 0.00 0.38 0.00 1.19 -0.21 0.00 0.00 178.00 179.36 1rwt n PHE 28 N -4.39 0.48 0.31 0.65 3.01 -0.80 -4.37 117.46 112.35 1rwt n PHE 28 Ca 0.01 -0.22 0.19 0.00 1.01 0.00 0.00 57.45 58.44 1rwt n PHE 28 Cb 0.15 -0.04 1.02 0.00 -0.01 0.00 0.00 39.48 40.61 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 -1.59 -3.47 113.55 114.67 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 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1rwt h SER 29 CO 0.03 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1rwt n GLY 30 N -0.91 0.94 3.71 -3.77 0.00 -1.26 -4.52 105.19 99.39 1rwt n GLY 30 Ca -0.02 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 4.55 0.43 1.61 2.12 -1.26 -5.05 118.70 121.10 1rwt s GLU 31 Ca 0.00 1.50 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 1rwt s GLU 31 Cb 0.00 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1rwt s GLU 31 CO 0.00 -0.07 0.67 -1.54 -0.54 0.00 0.00 175.26 173.78 1rwt s SER 32 N 0.91 6.06 0.34 -1.70 1.04 -1.26 -5.03 113.70 114.06 1rwt s SER 32 Ca 0.53 0.50 -0.28 0.00 0.48 0.00 0.00 55.95 57.18 1rwt s SER 32 Cb -0.23 -1.85 -0.13 0.00 0.10 0.00 0.00 66.02 63.91 1rwt s SER 32 CO 0.29 -0.56 1.21 -2.65 0.98 0.00 0.00 173.24 172.50 1rwt n PRO 33 N -2.05 1.89 0.23 4.02 -0.02 -1.26 -4.86 135.00 132.95 1rwt n PRO 33 Ca -0.01 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 1rwt n PRO 33 Cb 0.57 -2.19 0.56 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 2.34 0.00 0.43 2.55 4.64 -2.01 -2.15 113.55 119.35 1rwt h SER 34 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1rwt h SER 34 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1rwt h SER 34 CO 0.62 0.22 -0.04 0.00 -0.87 0.00 0.00 176.83 176.76 1rwt n TYR 35 N -3.78 0.00 -3.62 4.77 0.18 -1.26 -4.33 117.16 109.11 1rwt n TYR 35 Ca -0.02 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.37 1rwt n TYR 35 Cb 0.32 -0.21 -0.08 0.00 -0.38 0.00 0.00 39.34 38.98 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 -2.47 5.60 0.00 -3.48 1.43 -0.81 -4.92 118.68 114.04 1rwt s LEU 36 Ca 0.31 -2.60 0.22 0.00 -1.03 0.00 0.00 54.13 51.03 1rwt s LEU 36 Cb 0.20 -1.94 0.37 0.00 0.03 0.00 0.00 46.19 44.85 1rwt s LEU 36 CO 0.45 -0.48 1.34 0.35 0.23 0.00 0.00 176.35 178.25 1rwt n THR 37 N 3.91 0.43 -2.08 5.49 -2.24 -1.26 -4.67 114.28 113.85 1rwt n THR 37 Ca 0.05 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1rwt n THR 37 Cb 0.40 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.82 0.12 3.38 0.00 -1.26 -4.02 105.19 105.61 1rwt n GLY 38 Ca 0.18 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1rwt n GLY 38 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rwt n GLU 39 N -0.64 0.68 -4.01 1.61 2.13 -1.26 -1.15 120.64 117.99 1rwt n GLU 39 Ca 0.00 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.70 1rwt n GLU 39 Cb 0.45 -1.58 -0.04 0.00 0.27 0.00 0.00 31.44 30.54 1rwt n GLU 39 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1rwt s PHE 40 N -2.52 3.33 0.29 4.31 0.08 -1.26 -5.00 117.98 117.20 1rwt s PHE 40 Ca -0.22 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1rwt s PHE 40 Cb 0.08 -1.58 -0.11 0.00 -0.57 0.00 0.00 43.02 40.84 1rwt s PHE 40 CO 0.72 0.51 1.51 -2.14 -0.10 0.00 0.00 175.22 175.72 1rwt s PRO 41 N -3.33 4.18 0.00 0.24 0.02 -1.26 -3.01 135.00 131.84 1rwt s PRO 41 Ca 0.33 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1rwt s PRO 41 Cb -0.10 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1rwt s PRO 41 CO 0.26 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1rwt n GLY 42 N 1.82 0.57 3.55 0.52 0.00 -1.26 -4.98 105.19 105.41 1rwt n GLY 42 Ca 0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.30 6.54 -0.08 1.61 -1.08 -1.16 -4.71 116.67 115.49 1rwt s ASP 43 Ca 0.00 -1.59 0.15 0.00 -0.52 0.00 0.00 52.55 50.59 1rwt s ASP 43 Cb 0.00 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.47 1rwt s ASP 43 CO 0.00 -1.44 1.44 -1.22 0.52 0.00 0.00 175.17 174.47 1rwt n TYR 44 N 8.65 1.14 -2.54 -5.34 4.02 -1.26 -4.83 117.16 117.00 1rwt n TYR 44 Ca 0.34 -0.46 -0.11 0.00 -0.01 0.00 0.00 57.90 57.66 1rwt n TYR 44 Cb 0.50 -0.18 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 1.01 0.05 3.24 2.72 0.00 -1.26 -1.14 105.19 109.80 1rwt n GLY 45 Ca 0.20 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.77 3.23 -0.41 1.61 -0.00 -1.26 -4.54 118.94 114.80 1rwt s TRP 46 Ca 0.12 -1.56 0.07 0.00 -0.00 0.00 0.00 56.10 54.73 1rwt s TRP 46 Cb -0.05 -2.19 0.33 0.00 -0.00 0.00 0.00 33.47 31.56 1rwt s TRP 46 CO 0.14 -0.74 1.24 -3.47 -0.00 0.00 0.00 176.95 174.12 1rwt n ASP 47 N 4.74 -1.99 0.22 5.86 4.64 -1.26 -5.00 116.55 123.75 1rwt n ASP 47 Ca -0.13 -2.87 0.14 0.00 -1.38 0.00 0.00 54.79 50.54 1rwt n ASP 47 Cb 0.45 1.40 0.73 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 2.19 0.00 -0.19 5.18 1.35 -2.05 0.11 112.91 119.50 1rwt h THR 48 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1rwt h THR 48 Cb 1.21 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1rwt h THR 48 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1rwt n ALA 49 N -1.83 2.44 -2.26 6.62 0.00 -1.26 -4.96 120.51 119.25 1rwt n ALA 49 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.43 1rwt n ALA 49 Cb 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 1.39 -0.15 0.21 0.00 0.00 0.02 -4.85 105.19 101.82 1rwt n GLY 50 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1rwt n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rwt h LEU 51 N 0.00 0.00 -3.11 0.99 3.38 -1.93 -3.02 115.31 111.62 1rwt h LEU 51 Ca -0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1rwt h LEU 51 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1rwt h LEU 51 CO 0.48 0.00 -0.15 -1.20 0.09 0.00 0.00 178.44 177.66 1rwt n SER 52 N -2.67 2.47 -0.23 -0.43 7.64 -1.26 -4.74 113.62 114.40 1rwt n SER 52 Ca 0.01 -3.42 0.02 0.00 1.01 0.00 0.00 58.87 56.49 1rwt n SER 52 Cb 0.24 -0.51 0.26 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.76 1.51 -2.29 -0.43 0.00 -1.93 -3.40 119.26 113.48 1rwt h ALA 53 Ca 0.04 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1rwt h ALA 53 Cb 1.19 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1rwt h ALA 53 CO 0.11 0.41 0.47 0.34 0.00 0.00 0.00 179.25 180.58 1rwt s ASP 54 N -6.26 6.85 0.54 0.00 2.15 -1.26 -4.94 116.67 113.76 1rwt s ASP 54 Ca -0.11 1.06 0.32 0.00 0.43 0.00 0.00 52.55 54.25 1rwt s ASP 54 Cb 0.18 -2.44 1.49 0.00 -0.30 0.00 0.00 42.92 41.85 1rwt s ASP 54 CO 0.78 -0.51 1.87 1.55 -0.17 0.00 0.00 175.17 178.70 1rwt h PRO 55 N 7.63 0.00 0.12 4.34 0.13 -1.99 -0.13 132.00 142.11 1rwt h PRO 55 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1rwt h PRO 55 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rwt h PRO 55 CO 0.87 0.00 -0.06 1.49 -0.23 0.00 0.00 178.00 180.07 1rwt h GLU 56 N 0.00 -0.16 -0.04 0.86 4.57 -1.93 -2.59 114.58 115.30 1rwt h GLU 56 Ca 0.43 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.56 1rwt h GLU 56 Cb 1.76 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.38 1rwt h GLU 56 CO -0.00 0.21 -0.26 1.15 -1.18 0.00 0.00 179.01 178.92 1rwt h THR 57 N -0.55 1.21 -0.65 0.32 2.02 -1.61 -2.38 112.91 111.28 1rwt h THR 57 Ca -0.02 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1rwt h THR 57 Cb 0.43 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1rwt h THR 57 CO 0.03 0.28 0.28 0.15 0.37 0.00 0.00 175.52 176.63 1rwt h PHE 58 N 0.06 0.93 -0.50 3.16 3.57 -0.97 -1.06 116.94 122.12 1rwt h PHE 58 Ca 0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1rwt h PHE 58 Cb 0.50 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1rwt h PHE 58 CO 0.00 0.70 -0.04 0.00 -2.23 0.00 0.00 178.31 176.74 1rwt h ALA 59 N 1.39 0.69 -0.29 2.41 0.00 -1.02 -1.96 119.26 120.47 1rwt h ALA 59 Ca 0.22 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1rwt h ALA 59 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rwt h ALA 59 CO -0.02 0.54 -0.22 0.87 0.00 0.00 0.00 179.25 180.42 1rwt h LYS 60 N 0.78 0.54 -0.11 0.00 1.79 -1.30 -2.45 116.57 115.82 1rwt h LYS 60 Ca 0.14 -0.20 -0.16 0.00 -2.18 0.00 0.00 60.65 58.25 1rwt h LYS 60 Cb 0.58 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1rwt h LYS 60 CO 0.03 0.72 -0.63 -0.91 -1.08 0.00 0.00 179.45 177.59 1rwt h ASN 61 N 0.48 0.46 -0.68 0.86 2.35 -1.07 -0.81 115.58 117.17 1rwt h ASN 61 Ca 0.07 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1rwt h ASN 61 Cb 0.64 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1rwt h ASN 61 CO 0.05 0.97 0.20 0.03 -1.65 0.00 0.00 177.43 177.03 1rwt h ARG 62 N 0.29 1.09 -0.09 0.81 3.08 -1.15 0.26 114.38 118.66 1rwt h ARG 62 Ca -0.01 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1rwt h ARG 62 Cb 1.17 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1rwt h ARG 62 CO 0.11 0.94 0.01 0.93 -1.07 0.00 0.00 179.97 180.88 1rwt h GLU 63 N 1.04 0.15 -0.69 0.04 5.08 -1.28 -1.07 114.58 117.84 1rwt h GLU 63 Ca 0.22 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1rwt h GLU 63 Cb 0.32 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1rwt h GLU 63 CO -0.00 0.38 0.37 -0.07 -1.00 0.00 0.00 179.01 178.68 1rwt h LEU 64 N -0.10 0.51 0.08 1.33 3.38 -0.82 -1.47 115.31 118.22 1rwt h LEU 64 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rwt h LEU 64 Cb 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1rwt h LEU 64 CO 0.00 0.31 -0.04 -0.08 0.09 0.00 0.00 178.44 178.73 1rwt h GLU 65 N 0.65 -0.10 -0.44 1.13 4.81 -0.28 -1.33 114.58 119.02 1rwt h GLU 65 Ca 0.33 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1rwt h GLU 65 Cb 0.28 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1rwt h GLU 65 CO -0.22 0.08 0.04 0.28 -0.73 0.00 0.00 179.01 178.45 1rwt h VAL 66 N -0.26 1.22 -0.21 0.32 2.07 -1.01 0.14 116.25 118.52 1rwt h VAL 66 Ca -0.01 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1rwt h VAL 66 Cb 0.22 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1rwt h VAL 66 CO 0.02 0.30 -0.19 0.40 0.02 0.00 0.00 177.57 178.12 1rwt h ILE 67 N 0.66 1.32 -0.92 4.57 1.08 -1.22 -1.76 117.51 121.24 1rwt h ILE 67 Ca 0.14 -1.35 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 1rwt h ILE 67 Cb 0.35 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 1rwt h ILE 67 CO 0.01 0.41 0.54 0.45 -0.69 0.00 0.00 178.15 178.87 1rwt h HIS 68 N 0.18 1.23 -0.19 1.37 3.86 -1.02 -1.86 115.15 118.73 1rwt h HIS 68 Ca 0.04 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1rwt h HIS 68 Cb 0.74 -0.40 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 1rwt h HIS 68 CO 0.08 0.82 -0.19 0.00 0.86 0.00 0.00 177.93 179.50 1rwt h ARG 70 N -0.21 1.06 -0.26 0.00 3.08 -1.03 -1.68 114.38 115.34 1rwt h ARG 70 Ca 0.12 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1rwt h ARG 70 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1rwt h ARG 70 CO -0.31 0.97 -0.32 -1.49 -1.07 0.00 0.00 179.97 177.74 1rwt h TRP 71 N 1.00 0.64 0.00 3.04 4.06 -0.93 -2.69 115.95 121.07 1rwt h TRP 71 Ca 0.20 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 1rwt h TRP 71 Cb 0.41 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1rwt h TRP 71 CO 0.03 0.81 -0.42 0.00 -3.56 0.00 0.00 178.44 175.31 1rwt h ALA 72 N 1.18 1.07 0.04 1.49 0.00 -0.34 -1.09 119.26 121.60 1rwt h ALA 72 Ca 0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1rwt h ALA 72 Cb 0.79 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rwt h ALA 72 CO 0.06 0.52 -0.66 0.52 0.00 0.00 0.00 179.25 179.69 1rwt h MET 73 N 0.00 0.38 -0.74 0.00 2.86 -1.10 -0.36 114.93 115.96 1rwt h MET 73 Ca -0.00 -0.46 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1rwt h MET 73 Cb 0.87 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1rwt h MET 73 CO 0.05 1.14 0.27 -0.07 1.06 0.00 0.00 176.91 179.36 1rwt h LEU 74 N -0.17 1.05 -0.41 1.22 3.38 -1.47 -2.44 115.31 116.47 1rwt h LEU 74 Ca -0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1rwt h LEU 74 Cb 1.40 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1rwt h LEU 74 CO 0.13 0.95 0.01 1.23 0.09 0.00 0.00 178.44 180.85 1rwt h GLY 75 N 1.12 0.77 0.92 0.83 0.00 -1.19 0.77 103.07 106.29 1rwt h GLY 75 Ca 0.25 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1rwt h GLY 75 CO -0.01 0.52 0.06 0.00 0.00 0.00 0.00 176.54 177.10 1rwt h ALA 76 N 0.89 0.15 -0.69 3.60 0.00 -0.92 0.50 119.26 122.80 1rwt h ALA 76 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1rwt h ALA 76 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1rwt h ALA 76 CO 0.02 -0.30 0.17 1.25 0.00 0.00 0.00 179.25 180.39 1rwt h LEU 77 N 0.08 1.03 -0.67 0.00 5.85 -1.42 -2.81 115.31 117.37 1rwt h LEU 77 Ca 0.04 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1rwt h LEU 77 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1rwt h LEU 77 CO -0.01 0.98 -0.16 1.23 -0.34 0.00 0.00 178.44 180.15 1rwt h GLY 78 N 1.08 0.94 1.93 3.75 0.00 -0.51 -0.50 103.07 109.76 1rwt h GLY 78 Ca 0.22 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 1rwt h GLY 78 CO 0.00 0.70 -0.52 0.00 0.00 0.00 0.00 176.54 176.72 1rwt h VAL 80 N 0.06 1.08 -0.36 0.00 2.07 -1.38 -3.37 116.25 114.34 1rwt h VAL 80 Ca -0.00 -2.37 0.07 0.00 0.82 0.00 0.00 66.70 65.21 1rwt h VAL 80 Cb 0.94 2.71 -0.09 0.00 -1.52 0.00 0.00 31.29 33.34 1rwt h VAL 80 CO 0.07 0.65 -0.42 0.15 0.02 0.00 0.00 177.57 178.04 1rwt h PHE 81 N -0.45 -1.20 -0.60 1.57 3.57 -1.20 -0.34 116.94 118.29 1rwt h PHE 81 Ca -0.28 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.33 1rwt h PHE 81 Cb 1.64 0.58 -0.05 0.00 2.79 0.00 0.00 35.95 40.91 1rwt h PHE 81 CO 0.14 -0.44 0.33 -1.35 -2.23 0.00 0.00 178.31 174.76 1rwt h PRO 82 N -0.34 0.62 -0.25 6.41 0.11 -1.80 -1.08 132.00 135.66 1rwt h PRO 82 Ca 0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1rwt h PRO 82 Cb 0.58 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1rwt h PRO 82 CO -0.54 0.41 0.13 1.49 -0.21 0.00 0.00 178.00 179.27 1rwt h GLU 83 N 0.63 0.34 -0.36 1.05 4.81 -1.37 0.49 114.58 120.16 1rwt h GLU 83 Ca 0.26 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1rwt h GLU 83 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1rwt h GLU 83 CO -0.15 0.26 -0.22 1.25 -0.73 0.00 0.00 179.01 179.41 1rwt h LEU 84 N 0.34 0.83 -0.51 1.64 5.85 -0.05 -2.39 115.31 121.02 1rwt h LEU 84 Ca 0.09 -0.42 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 1rwt h LEU 84 Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1rwt h LEU 84 CO -0.01 1.07 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.77 1rwt h LEU 85 N 0.59 0.91 -1.72 2.25 3.38 -0.53 -2.83 115.31 117.35 1rwt h LEU 85 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1rwt h LEU 85 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1rwt h LEU 85 CO 0.06 1.15 0.06 0.00 0.09 0.00 0.00 178.44 179.81 1rwt h ALA 86 N 0.90 1.78 -0.02 1.53 0.00 -0.86 0.13 119.26 122.72 1rwt h ALA 86 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rwt h ALA 86 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rwt h ALA 86 CO 0.08 0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.05 1rwt n ARG 87 N -4.45 1.07 -1.22 0.00 1.74 -0.91 -3.11 116.66 109.79 1rwt n ARG 87 Ca -0.00 -0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.01 1rwt n ARG 87 Cb 0.12 -1.20 0.09 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.58 1.37 0.00 0.55 4.13 0.40 -5.01 115.26 116.12 1rwt n ASN 88 Ca 0.09 -2.76 0.00 0.00 1.68 0.00 0.00 54.58 53.60 1rwt n ASN 88 Cb 0.07 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 -0.17 3.04 3.73 7.41 0.00 -1.15 -5.02 105.19 113.03 1rwt n GLY 89 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.85 2.71 -0.26 1.61 1.01 -0.93 -4.97 120.40 116.71 1rwt s VAL 90 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 1rwt s VAL 90 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1rwt s VAL 90 CO 0.00 0.05 0.19 -0.54 0.00 0.00 0.00 175.10 174.81 1rwt s LYS 91 N 0.69 4.00 0.23 2.72 -0.14 -1.26 -3.94 119.74 122.03 1rwt s LYS 91 Ca 0.66 -0.27 0.10 0.00 -1.36 0.00 0.00 55.97 55.09 1rwt s LYS 91 Cb -0.42 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.06 1rwt s LYS 91 CO 0.35 -0.10 -0.08 -0.06 -0.76 0.00 0.00 175.35 174.70 1rwt s PHE 92 N 1.54 2.61 0.29 3.18 0.08 -1.26 -3.59 117.98 120.82 1rwt s PHE 92 Ca 0.08 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 1rwt s PHE 92 Cb -0.15 -1.21 0.43 0.00 -0.57 0.00 0.00 43.02 41.51 1rwt s PHE 92 CO 0.09 0.58 1.83 0.78 -0.10 0.00 0.00 175.22 178.40 1rwt h GLY 93 N 2.44 0.84 -5.99 4.36 0.00 -1.95 -3.41 103.07 99.36 1rwt h GLY 93 Ca -0.45 -0.49 0.09 0.00 0.00 0.00 0.00 47.33 46.48 1rwt h GLY 93 CO 0.57 0.46 -0.27 1.85 0.00 0.00 0.00 176.54 179.15 1rwt s GLU 94 N -5.16 0.57 0.19 4.80 2.56 -1.26 -5.03 118.70 115.37 1rwt s GLU 94 Ca -0.09 1.01 0.22 0.00 0.00 0.00 0.00 54.97 56.10 1rwt s GLU 94 Cb 0.15 0.56 -0.01 0.00 2.00 0.00 0.00 34.13 36.84 1rwt s GLU 94 CO 0.80 -0.62 1.03 0.00 -0.56 0.00 0.00 175.26 175.91 1rwt h ALA 95 N 8.00 0.54 -2.35 6.30 0.00 -1.92 -3.39 119.26 126.43 1rwt h ALA 95 Ca -0.23 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 1rwt h ALA 95 Cb 1.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1rwt h ALA 95 CO 0.26 0.13 0.63 0.08 0.00 0.00 0.00 179.25 180.34 1rwt s VAL 96 N -3.30 4.32 0.28 0.00 1.01 -1.26 -3.28 120.40 118.18 1rwt s VAL 96 Ca -0.01 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1rwt s VAL 96 Cb 0.09 -4.06 0.33 0.00 0.00 0.00 0.00 36.38 32.74 1rwt s VAL 96 CO 0.79 0.04 1.62 4.11 0.00 0.00 0.00 175.10 181.66 1rwt h TRP 97 N 7.22 0.17 -0.03 5.22 5.08 -1.90 0.14 115.95 131.85 1rwt h TRP 97 Ca -0.36 0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1rwt h TRP 97 Cb 1.18 0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1rwt h TRP 97 CO 0.71 -0.27 0.00 1.97 -1.28 0.00 0.00 178.44 179.57 1rwt n PHE 98 N -5.32 0.04 -0.04 0.12 1.16 -1.26 -3.08 117.46 109.08 1rwt n PHE 98 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 57.45 55.76 1rwt n PHE 98 Cb 0.66 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.53 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 -0.47 4.26 -0.25 3.97 5.02 0.40 -4.78 118.16 126.31 1rwt n LYS 99 Ca 0.04 -0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.21 1rwt n LYS 99 Cb 0.04 -0.49 0.11 0.00 -0.02 0.00 0.00 35.03 34.68 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 1.13 -0.78 7.82 0.00 -1.24 -3.10 119.26 123.10 1rwt h ALA 100 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1rwt h ALA 100 Cb 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.43 1rwt h ALA 100 CO 0.00 0.63 0.39 0.78 0.00 0.00 0.00 179.25 181.04 1rwt h GLY 101 N 1.12 1.20 2.00 0.00 0.00 -1.86 -2.02 103.07 103.51 1rwt h GLY 101 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1rwt h GLY 101 CO -0.02 0.02 0.00 -1.14 0.00 0.00 0.00 176.54 175.39 1rwt n SER 102 N -4.87 0.60 0.15 0.19 3.41 -1.17 -2.75 113.62 109.19 1rwt n SER 102 Ca 0.14 0.73 0.19 0.00 -0.26 0.00 0.00 58.87 59.66 1rwt n SER 102 Cb 0.34 -0.82 0.79 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.50 0.22 115.11 122.36 1rwt h GLN 103 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1rwt h GLN 103 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1rwt h GLN 103 CO 0.00 0.00 -0.04 0.97 -0.67 0.00 0.00 178.83 179.09 1rwt h ILE 104 N 0.00 0.18 -0.01 2.54 6.09 -1.74 -0.57 117.51 123.99 1rwt h ILE 104 Ca 0.14 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1rwt h ILE 104 Cb 0.78 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.38 1rwt h ILE 104 CO -0.00 0.04 -0.08 0.49 -3.07 0.00 0.00 178.15 175.53 1rwt n PHE 105 N -3.25 0.00 -1.10 2.19 3.72 0.77 -4.68 117.46 115.11 1rwt n PHE 105 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.08 1rwt n PHE 105 Cb 0.22 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.14 4.03 0.14 4.37 0.01 -0.22 -4.94 113.70 114.94 1rwt s SER 106 Ca 0.33 1.92 -0.18 0.00 1.31 0.00 0.00 55.95 59.33 1rwt s SER 106 Cb 0.20 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.93 1rwt s SER 106 CO 0.39 -2.36 1.71 -0.08 0.41 0.00 0.00 173.24 173.31 1rwt h GLU 107 N -1.35 0.06 -0.28 12.44 4.81 -1.92 -2.54 114.58 125.81 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 30.61 1rwt h GLU 107 CO 0.49 0.04 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 1rwt n GLY 108 N -1.23 0.73 6.51 1.92 0.00 -1.26 -5.06 105.19 106.81 1rwt n GLY 108 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.21 -1.83 3.49 -0.02 0.00 -0.96 -4.78 105.19 102.31 1rwt n GLY 109 Ca 0.16 -1.42 -0.41 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 4.59 -0.25 0.99 0.20 0.23 -4.72 118.68 119.71 1rwt s LEU 110 Ca 0.00 -0.56 -0.08 0.00 0.69 0.00 0.00 54.13 54.18 1rwt s LEU 110 Cb 0.00 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1rwt s LEU 110 CO 0.00 -0.28 0.08 -1.81 -0.29 0.00 0.00 176.35 174.05 1rwt s ASP 111 N 1.69 5.17 0.11 3.68 1.01 -1.26 -1.65 116.67 125.42 1rwt s ASP 111 Ca 0.05 -0.23 -0.32 0.00 0.71 0.00 0.00 52.55 52.76 1rwt s ASP 111 Cb -0.18 -1.93 -0.11 0.00 1.01 0.00 0.00 42.92 41.71 1rwt s ASP 111 CO 0.10 -0.05 1.79 0.00 0.21 0.00 0.00 175.17 177.22 1rwt n TYR 112 N 4.93 2.55 -1.83 4.23 9.36 -0.83 -0.83 117.16 134.74 1rwt n TYR 112 Ca -0.16 -0.05 -0.17 0.00 3.32 0.00 0.00 57.90 60.84 1rwt n TYR 112 Cb 0.51 -2.69 -0.05 0.00 -0.63 0.00 0.00 39.34 36.48 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 5.23 -1.47 -0.30 2.98 4.77 -1.26 -1.52 117.00 125.42 1rwt n LEU 113 Ca 0.18 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.38 1rwt n LEU 113 Cb 0.35 -2.50 -0.02 0.00 -2.33 0.00 0.00 43.42 38.92 1rwt n LEU 113 CO 0.66 -0.63 -0.04 0.61 -1.33 0.00 0.00 177.39 176.67 1rwt n GLY 114 N -0.91 0.58 3.50 -0.72 0.00 -0.01 -4.72 105.19 102.92 1rwt n GLY 114 Ca -0.19 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.30 5.80 0.63 1.61 3.84 -0.58 -4.96 114.94 118.98 1rwt s ASN 115 Ca 0.00 -0.35 0.33 0.00 0.21 0.00 0.00 52.86 53.05 1rwt s ASN 115 Cb 0.00 -2.07 1.86 0.00 -0.55 0.00 0.00 41.25 40.49 1rwt s ASN 115 CO 0.00 -0.17 2.13 -0.65 -2.79 0.00 0.00 177.10 175.62 1rwt h PRO 116 N 8.40 0.00 -0.01 0.43 0.11 -1.90 0.26 132.00 139.29 1rwt h PRO 116 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1rwt h PRO 116 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rwt h PRO 116 CO 0.60 0.00 -0.05 0.43 -0.21 0.00 0.00 178.00 178.78 1rwt n SER 117 N -3.36 0.65 -4.18 -2.05 7.64 -1.26 -4.52 113.62 106.55 1rwt n SER 117 Ca -0.01 -0.98 -0.34 0.00 1.01 0.00 0.00 58.87 58.56 1rwt n SER 117 Cb 0.27 -0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.20 2.73 0.00 -3.43 1.43 0.08 -4.88 118.68 112.41 1rwt s LEU 118 Ca 0.37 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1rwt s LEU 118 Cb 0.21 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1rwt s LEU 118 CO 0.40 -0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.44 1rwt n VAL 119 N 4.65 0.00 -4.13 -1.59 0.31 -1.26 -1.96 118.33 114.35 1rwt n VAL 119 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 1rwt n VAL 119 Cb 0.48 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.40 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 -1.80 -1.83 3.52 -0.00 -1.11 -4.87 115.22 109.12 1rwt n HIS 120 Ca 0.00 0.80 -0.41 0.00 0.46 0.00 0.00 57.72 58.58 1rwt n HIS 120 Cb 0.00 -3.24 -0.00 0.00 -0.12 0.00 0.00 29.99 26.63 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 -3.42 3.53 0.00 1.57 0.00 -0.66 -4.71 121.76 118.07 1rwt s ALA 121 Ca 0.59 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1rwt s ALA 121 Cb -0.32 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1rwt s ALA 121 CO 0.91 -1.03 0.00 1.04 0.00 0.00 0.00 175.76 176.68 1rwt n GLN 122 N 0.41 2.50 -3.99 0.00 1.13 -1.26 -0.60 117.38 115.57 1rwt n GLN 122 Ca 0.01 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.74 1rwt n GLN 122 Cb 0.40 -0.75 -0.14 0.00 0.11 0.00 0.00 30.24 29.86 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 -1.19 4.66 0.45 1.08 0.15 -1.26 -4.97 113.70 112.63 1rwt s SER 123 Ca 0.00 -1.39 0.14 0.00 0.70 0.00 0.00 55.95 55.40 1rwt s SER 123 Cb 0.00 -1.63 1.01 0.00 -1.71 0.00 0.00 66.02 63.70 1rwt s SER 123 CO 0.00 -0.23 2.01 -0.29 1.20 0.00 0.00 173.24 175.93 1rwt h ILE 124 N 6.63 1.11 -0.24 6.45 6.09 -1.96 -1.83 117.51 133.77 1rwt h ILE 124 Ca -0.19 -0.52 -0.04 0.00 -1.37 0.00 0.00 64.86 62.74 1rwt h ILE 124 Cb 1.05 1.23 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 1rwt h ILE 124 CO 0.50 0.15 0.01 -0.07 -3.07 0.00 0.00 178.15 175.67 1rwt h LEU 125 N 0.05 0.41 -0.09 2.19 3.38 -1.99 -1.34 115.31 117.92 1rwt h LEU 125 Ca 0.01 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1rwt h LEU 125 Cb 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1rwt h LEU 125 CO 0.02 0.60 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 1rwt h ALA 126 N 0.82 0.04 -0.25 1.53 0.00 -1.82 0.13 119.26 119.70 1rwt h ALA 126 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1rwt h ALA 126 Cb 0.39 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1rwt h ALA 126 CO 0.01 -0.51 -0.20 0.82 0.00 0.00 0.00 179.25 179.37 1rwt h ILE 127 N -0.04 0.47 -0.54 0.00 2.04 -1.28 -1.35 117.51 116.81 1rwt h ILE 127 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1rwt h ILE 127 Cb 0.12 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1rwt h ILE 127 CO -0.12 0.00 0.31 -0.25 0.00 0.00 0.00 178.15 178.09 1rwt h TRP 128 N -0.19 0.57 -0.76 1.37 7.01 -0.74 -1.89 115.95 121.32 1rwt h TRP 128 Ca 0.14 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1rwt h TRP 128 Cb 0.40 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 1rwt h TRP 128 CO -0.37 0.31 0.47 0.00 -2.79 0.00 0.00 178.44 176.07 1rwt h ALA 129 N 1.26 0.97 -0.44 2.65 0.00 -0.23 -2.06 119.26 121.42 1rwt h ALA 129 Ca 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1rwt h ALA 129 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1rwt h ALA 129 CO -0.12 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.64 1rwt h GLN 131 N 0.57 0.92 -0.22 0.00 4.15 -1.05 0.41 115.11 119.90 1rwt h GLN 131 Ca 0.13 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1rwt h GLN 131 Cb 0.35 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1rwt h GLN 131 CO 0.00 0.66 0.12 0.28 -1.93 0.00 0.00 178.83 177.97 1rwt h VAL 132 N 0.92 1.11 0.53 2.39 2.07 -1.34 0.16 116.25 122.09 1rwt h VAL 132 Ca 0.24 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1rwt h VAL 132 Cb -0.02 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1rwt h VAL 132 CO -0.04 0.11 -0.25 0.40 0.02 0.00 0.00 177.57 177.80 1rwt h ILE 133 N 0.25 0.46 0.13 4.57 1.08 -1.18 -0.38 117.51 122.44 1rwt h ILE 133 Ca 0.08 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1rwt h ILE 133 Cb 0.07 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1rwt h ILE 133 CO -0.01 0.02 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.34 1rwt h LEU 134 N -0.80 -0.14 -0.94 1.44 3.38 -0.90 -2.03 115.31 115.32 1rwt h LEU 134 Ca -0.07 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1rwt h LEU 134 Cb 0.58 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1rwt h LEU 134 CO 0.12 0.08 0.03 0.24 0.09 0.00 0.00 178.44 179.00 1rwt h MET 135 N -0.37 0.80 -0.75 1.13 2.86 -0.77 -1.96 114.93 115.87 1rwt h MET 135 Ca -0.02 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1rwt h MET 135 Cb 0.30 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1rwt h MET 135 CO 0.03 0.79 0.38 0.78 1.06 0.00 0.00 176.91 179.95 1rwt h GLY 136 N 0.97 1.14 0.68 8.32 0.00 -1.02 -0.92 103.07 112.24 1rwt h GLY 136 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1rwt h GLY 136 CO 0.02 0.52 -0.04 0.00 0.00 0.00 0.00 176.54 177.04 1rwt h ALA 137 N 1.19 -0.10 -0.20 3.60 0.00 -0.96 -2.07 119.26 120.72 1rwt h ALA 137 Ca 0.26 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1rwt h ALA 137 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rwt h ALA 137 CO -0.04 -0.40 -0.26 -0.39 0.00 0.00 0.00 179.25 178.16 1rwt h VAL 138 N -0.43 1.26 -0.26 0.00 -1.51 -1.32 -0.52 116.25 113.48 1rwt h VAL 138 Ca -0.01 -1.23 -0.09 0.00 -1.23 0.00 0.00 66.70 64.14 1rwt h VAL 138 Cb 0.37 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1rwt h VAL 138 CO 0.02 0.38 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.17 1rwt h GLU 139 N 0.33 0.49 -0.39 5.19 4.39 -1.18 -0.51 114.58 122.90 1rwt h GLU 139 Ca 0.05 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1rwt h GLU 139 Cb 0.64 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1rwt h GLU 139 CO 0.05 0.70 0.06 0.78 -1.16 0.00 0.00 179.01 179.43 1rwt h GLY 140 N 1.01 0.70 1.29 -3.84 0.00 -0.61 -2.59 103.07 99.04 1rwt h GLY 140 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1rwt h GLY 140 CO 0.05 0.44 0.42 -0.97 0.00 0.00 0.00 176.54 176.48 1rwt h TYR 141 N 0.50 0.91 0.00 5.60 0.99 -0.72 0.23 116.97 124.49 1rwt h TYR 141 Ca 0.12 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1rwt h TYR 141 Cb 0.38 -0.30 -0.00 0.00 1.00 0.00 0.00 36.73 37.80 1rwt h TYR 141 CO 0.03 0.61 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.62 1rwt h ARG 142 N 0.96 0.00 0.04 4.88 2.43 -0.73 0.53 114.38 122.50 1rwt h ARG 142 Ca 0.25 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.05 1rwt h ARG 142 Cb -0.04 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1rwt h ARG 142 CO -0.05 0.08 -2.28 -0.89 -1.51 0.00 0.00 179.97 175.32 1rwt n ILE 143 N -4.01 1.58 0.34 1.20 2.08 -0.44 -4.61 119.36 115.52 1rwt n ILE 143 Ca -0.03 -0.64 0.06 0.00 0.56 0.00 0.00 62.75 62.70 1rwt n ILE 143 Cb 0.17 -1.41 0.07 0.00 -0.75 0.00 0.00 39.64 37.72 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 -3.09 2.42 0.00 -1.39 0.00 0.69 -4.96 120.51 114.18 1rwt n ALA 144 Ca -0.39 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1rwt n ALA 144 Cb 1.03 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.61 -1.02 0.00 0.00 0.00 0.19 -4.74 105.19 100.23 1rwt n GLY 145 Ca 0.08 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.69 1.11 0.64 -0.02 0.00 0.14 -4.46 105.19 101.91 1rwt n GLY 146 Ca 0.00 -0.67 0.49 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.55 1.61 0.11 -2.00 0.28 132.00 131.45 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 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rwt h PRO 147 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1rwt n LEU 148 N -4.20 4.05 0.00 2.35 4.77 -1.26 -5.05 117.00 117.65 1rwt n LEU 148 Ca 0.43 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1rwt n LEU 148 Cb 1.88 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 42.49 1rwt n LEU 148 CO 0.36 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1rwt n GLY 149 N 0.91 3.28 3.95 -0.72 0.00 0.99 -4.42 105.19 109.19 1rwt n GLY 149 Ca 0.22 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.17 3.45 -0.33 1.61 2.56 -1.26 0.25 118.70 122.81 1rwt s GLU 150 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 54.97 54.08 1rwt s GLU 150 Cb 0.00 -2.90 0.01 0.00 2.00 0.00 0.00 34.13 33.24 1rwt s GLU 150 CO 0.00 0.45 0.89 0.08 -0.56 0.00 0.00 175.26 176.11 1rwt s VAL 151 N -1.90 4.66 0.00 3.70 1.01 -1.26 -4.86 120.40 121.75 1rwt s VAL 151 Ca 0.35 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1rwt s VAL 151 Cb -0.10 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1rwt s VAL 151 CO 0.29 -0.41 0.00 0.52 0.00 0.00 0.00 175.10 175.51 1rwt n VAL 152 N 5.77 0.00 -3.43 2.92 0.31 -1.26 -4.94 118.33 117.69 1rwt n VAL 152 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 1rwt n VAL 152 Cb 0.48 -0.65 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.35 6.13 0.30 4.52 -1.08 -1.26 -4.97 116.67 120.66 1rwt s ASP 153 Ca 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 1rwt s ASP 153 Cb 0.00 -2.18 0.82 0.00 -1.46 0.00 0.00 42.92 40.10 1rwt s ASP 153 CO 0.00 -0.38 1.69 -0.65 0.52 0.00 0.00 175.17 176.35 1rwt h PRO 154 N 8.56 0.39 0.00 4.34 0.11 -1.94 -2.56 132.00 140.90 1rwt h PRO 154 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1rwt h PRO 154 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rwt h PRO 154 CO 0.70 0.26 -1.36 1.28 -0.21 0.00 0.00 178.00 178.67 1rwt n LEU 155 N -5.03 0.53 -3.27 2.35 4.77 -1.26 -4.64 117.00 110.45 1rwt n LEU 155 Ca 0.25 0.18 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 1rwt n LEU 155 Cb 0.73 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1rwt n LEU 155 CO 0.12 -0.10 -0.08 -1.22 -1.33 0.00 0.00 177.39 174.78 1rwt n TYR 156 N -2.47 1.88 0.15 -1.77 4.01 -0.97 -4.97 117.16 113.01 1rwt n TYR 156 Ca -0.01 -3.89 -0.15 0.00 -0.16 0.00 0.00 57.90 53.69 1rwt n TYR 156 Cb 0.55 -0.46 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 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 3.89 -0.66 0.00 -0.72 0.11 -1.80 -3.42 132.00 129.40 1rwt h PRO 157 Ca 0.14 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1rwt h PRO 157 Cb 0.75 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1rwt h PRO 157 CO 0.67 -0.44 0.00 0.41 -0.21 0.00 0.00 178.00 178.43 1rwt n GLY 158 N -1.47 -0.04 7.00 -0.55 0.00 -1.26 -4.88 105.19 104.00 1rwt n GLY 158 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 1.92 0.25 -0.02 0.00 -1.26 0.52 105.19 106.60 1rwt n GLY 159 Ca 0.00 0.40 0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.40 1.61 0.02 -1.91 -2.28 113.55 110.58 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 0.11 0.00 0.49 -1.14 0.00 0.00 176.83 176.29 1rwt n PHE 161 N -4.18 1.20 -2.75 3.45 3.01 0.19 -4.08 117.46 114.30 1rwt n PHE 161 Ca -0.03 -0.44 -0.09 0.00 1.01 0.00 0.00 57.45 57.90 1rwt n PHE 161 Cb 0.19 -0.29 0.07 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.53 -0.59 -0.23 4.37 2.03 -0.86 -4.51 116.55 117.29 1rwt n ASP 162 Ca 0.18 -2.80 0.04 0.00 0.52 0.00 0.00 54.79 52.72 1rwt n ASP 162 Cb 0.77 0.48 0.16 0.00 -0.72 0.00 0.00 41.12 41.80 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 2.60 0.24 0.00 -0.67 0.11 -1.71 0.10 132.00 132.67 1rwt h PRO 163 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1rwt h PRO 163 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1rwt h PRO 163 CO 0.21 0.16 0.00 1.28 -0.21 0.00 0.00 178.00 179.44 1rwt n LEU 164 N -5.17 0.00 -2.37 2.35 4.77 -1.26 -4.90 117.00 110.42 1rwt n LEU 164 Ca 0.12 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 1rwt n LEU 164 Cb 0.42 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1rwt n LEU 164 CO 0.13 -0.04 -0.24 0.61 -1.33 0.00 0.00 177.39 176.52 1rwt n GLY 165 N 0.78 -0.39 0.32 -0.72 0.00 0.35 -4.85 105.19 100.69 1rwt n GLY 165 Ca 0.14 0.00 0.20 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 0.00 0.00 -2.57 0.99 3.38 -1.91 -1.42 115.31 113.78 1rwt h LEU 166 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rwt h LEU 166 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1rwt h LEU 166 CO 0.53 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1rwt n ALA 167 N -2.14 2.48 0.21 1.53 0.00 -1.26 -4.46 120.51 116.86 1rwt n ALA 167 Ca -0.03 -1.24 0.04 0.00 0.00 0.00 0.00 53.44 52.22 1rwt n ALA 167 Cb 0.10 -0.96 0.44 0.00 0.00 0.00 0.00 19.45 19.03 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 3.98 0.00 -3.58 0.00 3.32 -1.64 -3.41 116.42 115.09 1rwt h ASP 168 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1rwt h ASP 168 Cb 0.98 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 1rwt h ASP 168 CO 0.03 0.27 0.09 -0.62 -1.72 0.00 0.00 179.24 177.29 1rwt s ASP 169 N -6.93 6.37 0.14 6.45 2.15 -1.26 -4.98 116.67 118.61 1rwt s ASP 169 Ca -0.03 -0.03 -0.24 0.00 0.43 0.00 0.00 52.55 52.67 1rwt s ASP 169 Cb 0.15 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 1rwt s ASP 169 CO 0.71 -0.62 1.28 -2.65 -0.17 0.00 0.00 175.17 173.72 1rwt n PRO 170 N 6.03 -0.34 -0.26 4.34 -0.02 -1.26 -0.14 135.00 143.34 1rwt n PRO 170 Ca -0.02 1.26 -0.01 0.00 -2.02 0.00 0.00 63.50 62.70 1rwt n PRO 170 Cb 0.48 -1.85 0.18 0.00 -0.02 0.00 0.00 33.50 32.29 1rwt n PRO 170 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1rwt h GLU 171 N 0.00 1.09 -0.43 -0.52 4.81 -1.96 -1.39 114.58 116.19 1rwt h GLU 171 Ca 0.15 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1rwt h GLU 171 Cb 0.36 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1rwt h GLU 171 CO -0.79 0.77 -0.15 0.00 -0.73 0.00 0.00 179.01 178.12 1rwt h ALA 172 N 1.42 0.60 -0.56 2.92 0.00 -1.20 -2.70 119.26 119.73 1rwt h ALA 172 Ca 0.29 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1rwt h ALA 172 Cb -0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1rwt h ALA 172 CO -0.05 0.52 0.25 0.35 0.00 0.00 0.00 179.25 180.32 1rwt h PHE 173 N 0.68 0.46 -0.89 0.00 3.57 0.07 0.73 116.94 121.57 1rwt h PHE 173 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1rwt h PHE 173 Cb 0.70 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1rwt h PHE 173 CO 0.05 0.19 0.54 0.00 -2.23 0.00 0.00 178.31 176.86 1rwt h ALA 174 N 1.34 1.29 -0.05 2.41 0.00 -1.10 -1.80 119.26 121.34 1rwt h ALA 174 Ca 0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1rwt h ALA 174 Cb 0.23 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rwt h ALA 174 CO -0.22 0.62 -0.52 1.49 0.00 0.00 0.00 179.25 180.62 1rwt h GLU 175 N 1.22 0.44 -0.43 0.00 4.81 -1.04 -3.14 114.58 116.44 1rwt h GLU 175 Ca 0.32 -0.41 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1rwt h GLU 175 Cb -0.06 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1rwt h GLU 175 CO -0.06 1.06 0.29 -0.07 -0.73 0.00 0.00 179.01 179.49 1rwt h LEU 176 N -0.02 0.33 -0.95 1.64 3.38 -0.71 0.01 115.31 118.99 1rwt h LEU 176 Ca -0.05 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1rwt h LEU 176 Cb 1.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1rwt h LEU 176 CO 0.11 0.22 -0.12 0.11 0.09 0.00 0.00 178.44 178.85 1rwt h LYS 177 N 0.38 0.63 0.05 1.13 1.57 -1.32 0.70 116.57 119.71 1rwt h LYS 177 Ca 0.18 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1rwt h LYS 177 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1rwt h LYS 177 CO -0.04 0.74 -0.02 0.28 -0.57 0.00 0.00 179.45 179.83 1rwt h VAL 178 N 0.58 1.17 -0.98 0.50 2.07 -0.99 -2.13 116.25 116.47 1rwt h VAL 178 Ca 0.10 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1rwt h VAL 178 Cb 0.54 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 1rwt h VAL 178 CO 0.03 0.18 0.63 0.11 0.02 0.00 0.00 177.57 178.54 1rwt h LYS 179 N -0.37 1.02 0.24 1.57 1.57 -1.00 -0.08 116.57 119.52 1rwt h LYS 179 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1rwt h LYS 179 Cb 0.34 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1rwt h LYS 179 CO 0.01 0.68 -0.11 1.49 -0.57 0.00 0.00 179.45 180.94 1rwt h GLU 180 N 1.05 -0.31 -0.03 3.15 4.81 -0.70 -0.21 114.58 122.34 1rwt h GLU 180 Ca 0.45 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.62 1rwt h GLU 180 Cb 0.33 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1rwt h GLU 180 CO -0.21 -0.10 -0.35 0.97 -0.73 0.00 0.00 179.01 178.59 1rwt h ILE 181 N -0.46 1.26 -0.02 2.32 6.09 -1.04 0.12 117.51 125.79 1rwt h ILE 181 Ca -0.03 -1.25 -0.25 0.00 -1.37 0.00 0.00 64.86 61.96 1rwt h ILE 181 Cb 0.35 1.64 0.01 0.00 0.47 0.00 0.00 36.82 39.29 1rwt h ILE 181 CO 0.05 0.36 -0.97 0.11 -3.07 0.00 0.00 178.15 174.64 1rwt h LYS 182 N 0.05 0.59 -0.34 2.19 1.57 -0.88 0.11 116.57 119.87 1rwt h LYS 182 Ca 0.00 -0.62 -0.14 0.00 -1.87 0.00 0.00 60.65 58.02 1rwt h LYS 182 Cb 0.65 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1rwt h LYS 182 CO 0.05 1.23 -0.37 -0.91 -0.57 0.00 0.00 179.45 178.88 1rwt h ASN 183 N 0.34 0.83 -0.44 0.86 2.35 -0.84 -2.44 115.58 116.24 1rwt h ASN 183 Ca -0.10 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.22 1rwt h ASN 183 Cb 1.61 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1rwt h ASN 183 CO 0.18 1.11 0.04 1.23 -1.65 0.00 0.00 177.43 178.34 1rwt h GLY 184 N 0.91 0.81 1.14 2.83 0.00 -0.69 -0.91 103.07 107.16 1rwt h GLY 184 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1rwt h GLY 184 CO 0.08 0.52 -0.00 3.21 0.00 0.00 0.00 176.54 180.36 1rwt h ARG 185 N 0.60 1.03 -0.28 4.80 3.08 -0.96 0.36 114.38 123.01 1rwt h ARG 185 Ca 0.13 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1rwt h ARG 185 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1rwt h ARG 185 CO 0.02 1.01 0.18 1.25 -1.07 0.00 0.00 179.97 181.36 1rwt h LEU 186 N 0.95 0.33 -0.63 3.04 5.85 -1.29 0.60 115.31 124.16 1rwt h LEU 186 Ca 0.17 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1rwt h LEU 186 Cb 0.55 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1rwt h LEU 186 CO 0.03 0.26 0.41 0.00 -0.34 0.00 0.00 178.44 178.80 1rwt h ALA 187 N 1.09 0.80 -0.25 1.25 0.00 -0.82 -0.25 119.26 121.08 1rwt h ALA 187 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 187 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rwt h ALA 187 CO -0.02 0.22 0.15 0.52 0.00 0.00 0.00 179.25 180.12 1rwt h MET 188 N 0.84 0.35 -0.39 0.00 2.86 -0.52 0.22 114.93 118.29 1rwt h MET 188 Ca 0.23 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.91 1rwt h MET 188 Cb -0.08 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.45 1rwt h MET 188 CO -0.06 0.28 0.05 0.35 1.06 0.00 0.00 176.91 178.59 1rwt h PHE 189 N 0.32 0.08 -0.37 -0.22 3.57 -0.55 -1.47 116.94 118.29 1rwt h PHE 189 Ca 0.09 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1rwt h PHE 189 Cb 0.02 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1rwt h PHE 189 CO -0.04 -0.02 -0.17 0.77 -2.23 0.00 0.00 178.31 176.62 1rwt h SER 190 N 0.17 0.69 -0.34 0.41 0.02 -0.66 -2.19 113.55 111.65 1rwt h SER 190 Ca 0.19 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1rwt h SER 190 Cb 0.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1rwt h SER 190 CO -0.27 0.87 0.02 0.24 -1.14 0.00 0.00 176.83 176.54 1rwt h MET 191 N 0.62 0.69 -0.71 3.45 2.86 -0.03 0.21 114.93 122.02 1rwt h MET 191 Ca 0.10 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1rwt h MET 191 Cb 0.63 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1rwt h MET 191 CO 0.04 0.70 0.24 0.35 1.06 0.00 0.00 176.91 179.31 1rwt h PHE 192 N 0.66 1.10 -0.46 -0.22 3.57 -0.95 -1.06 116.94 119.59 1rwt h PHE 192 Ca 0.14 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1rwt h PHE 192 Cb 0.39 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1rwt h PHE 192 CO 0.02 0.86 0.18 0.78 -2.23 0.00 0.00 178.31 177.92 1rwt h GLY 193 N 1.09 0.73 0.71 2.40 0.00 -0.50 -2.02 103.07 105.48 1rwt h GLY 193 Ca 0.23 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1rwt h GLY 193 CO -0.01 0.38 0.19 0.74 0.00 0.00 0.00 176.54 177.84 1rwt h PHE 194 N 0.59 0.35 0.06 5.60 0.05 -0.04 0.13 116.94 123.68 1rwt h PHE 194 Ca 0.15 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.97 1rwt h PHE 194 Cb 0.20 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1rwt h PHE 194 CO 0.00 0.16 -0.09 0.74 -0.18 0.00 0.00 178.31 178.95 1rwt h PHE 195 N 0.39 -0.23 -0.40 -0.55 0.04 -0.94 -0.07 116.94 115.17 1rwt h PHE 195 Ca 0.20 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 1rwt h PHE 195 Cb 0.14 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1rwt h PHE 195 CO -0.12 -0.14 -0.05 0.28 -0.60 0.00 0.00 178.31 177.68 1rwt h VAL 196 N -0.19 1.27 -0.64 -0.55 2.07 -1.20 -2.40 116.25 114.61 1rwt h VAL 196 Ca 0.01 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1rwt h VAL 196 Cb 0.20 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1rwt h VAL 196 CO -0.05 0.37 0.20 1.56 0.02 0.00 0.00 177.57 179.68 1rwt h GLN 197 N 0.57 0.97 -0.09 1.57 4.20 -0.66 0.52 115.11 122.20 1rwt h GLN 197 Ca 0.11 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1rwt h GLN 197 Cb 0.56 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1rwt h GLN 197 CO 0.03 0.84 0.05 0.00 -0.67 0.00 0.00 178.83 179.07 1rwt h ALA 198 N 1.27 0.11 -0.75 3.87 0.00 -0.92 0.18 119.26 123.02 1rwt h ALA 198 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rwt h ALA 198 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1rwt h ALA 198 CO -0.01 -0.34 0.29 0.82 0.00 0.00 0.00 179.25 180.01 1rwt h ILE 199 N 0.04 1.25 0.16 0.00 2.04 -1.04 -1.36 117.51 118.59 1rwt h ILE 199 Ca 0.03 -0.81 -0.29 0.00 1.00 0.00 0.00 64.86 64.79 1rwt h ILE 199 Cb 0.09 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1rwt h ILE 199 CO -0.00 0.33 -1.38 0.58 0.00 0.00 0.00 178.15 177.67 1rwt h VAL 200 N 1.09 1.14 0.00 1.67 2.07 -0.72 -3.39 116.25 118.12 1rwt h VAL 200 Ca 0.25 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1rwt h VAL 200 Cb 0.22 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1rwt h VAL 200 CO -0.02 0.76 -1.12 0.35 0.02 0.00 0.00 177.57 177.56 1rwt n THR 201 N -3.85 0.30 -1.07 2.57 -2.24 0.62 -4.97 114.28 105.63 1rwt n THR 201 Ca -0.21 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1rwt n THR 201 Cb 0.96 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1rwt n THR 201 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rwt n GLY 202 N 1.29 0.39 3.57 3.38 0.00 -0.51 -4.97 105.19 108.34 1rwt n GLY 202 Ca 0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.64 1.99 0.60 1.61 1.02 -1.26 -5.08 119.74 116.98 1rwt s LYS 203 Ca 0.00 -2.23 -0.13 0.00 0.02 0.00 0.00 55.97 53.63 1rwt s LYS 203 Cb 0.00 -0.81 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 1rwt s LYS 203 CO 0.00 -0.45 1.03 0.20 -0.92 0.00 0.00 175.35 175.20 1rwt s GLY 204 N -3.67 1.85 0.23 -3.33 0.00 -1.26 -4.54 107.32 96.60 1rwt s GLY 204 Ca 0.20 0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.96 1rwt s GLY 204 CO 0.12 0.39 1.82 -2.55 0.00 0.00 0.00 173.10 172.88 1rwt h PRO 205 N 0.07 0.78 0.00 2.90 0.11 -1.94 -1.35 132.00 132.56 1rwt h PRO 205 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1rwt h PRO 205 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1rwt h PRO 205 CO 0.60 0.52 -0.41 -0.07 -0.21 0.00 0.00 178.00 178.42 1rwt h LEU 206 N 0.80 0.00 -0.53 2.35 3.38 -1.96 -2.06 115.31 117.29 1rwt h LEU 206 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 1rwt h LEU 206 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1rwt h LEU 206 CO -0.21 0.41 -0.38 -0.08 0.09 0.00 0.00 178.44 178.27 1rwt h GLU 207 N 0.00 0.00 -0.27 1.13 4.81 -1.77 -2.00 114.58 116.48 1rwt h GLU 207 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1rwt h GLU 207 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1rwt h GLU 207 CO 0.05 0.38 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.69 1rwt h ASN 208 N 0.00 0.57 -0.72 1.04 -0.26 -0.76 -0.57 115.58 114.88 1rwt h ASN 208 Ca -0.00 -0.40 -0.05 0.00 -0.56 0.00 0.00 56.30 55.29 1rwt h ASN 208 Cb 1.08 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 38.15 1rwt h ASN 208 CO 0.05 0.84 0.25 0.25 -1.06 0.00 0.00 177.43 177.76 1rwt h LEU 209 N 0.30 1.02 -0.01 1.61 5.85 -1.23 -0.28 115.31 122.57 1rwt h LEU 209 Ca 0.06 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1rwt h LEU 209 Cb 0.61 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1rwt h LEU 209 CO 0.04 0.94 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 1rwt h ALA 210 N 1.12 0.01 -0.84 1.25 0.00 -1.24 0.00 119.26 119.57 1rwt h ALA 210 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rwt h ALA 210 Cb 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1rwt h ALA 210 CO -0.01 -0.41 0.44 -0.44 0.00 0.00 0.00 179.25 178.83 1rwt h ASP 211 N -0.13 1.06 -0.06 0.00 3.32 -0.93 -0.53 116.42 119.15 1rwt h ASP 211 Ca 0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1rwt h ASP 211 Cb 0.15 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1rwt h ASP 211 CO -0.00 0.87 0.04 -0.74 -1.72 0.00 0.00 179.24 177.69 1rwt h HIS 212 N 1.18 0.08 0.00 4.55 2.76 -0.85 -1.97 115.15 120.90 1rwt h HIS 212 Ca 0.29 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1rwt h HIS 212 Cb 0.06 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1rwt h HIS 212 CO 0.01 0.09 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.60 1rwt h LEU 213 N 0.05 0.00 -1.25 0.26 3.38 -0.62 0.18 115.31 117.32 1rwt h LEU 213 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1rwt h LEU 213 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1rwt h LEU 213 CO -0.00 0.06 -0.17 0.00 0.09 0.00 0.00 178.44 178.41 1rwt h ALA 214 N 1.94 1.04 -0.25 1.53 0.00 -0.31 -3.40 119.26 119.80 1rwt h ALA 214 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 214 Cb 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 1rwt h ALA 214 CO 0.01 0.22 -0.14 0.34 0.00 0.00 0.00 179.25 179.67 1rwt s ASP 215 N -6.09 -0.38 0.26 0.00 -1.08 -0.50 -5.06 116.67 103.81 1rwt s ASP 215 Ca 0.00 -0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 51.69 1rwt s ASP 215 Cb 0.10 0.49 0.52 0.00 -1.46 0.00 0.00 42.92 42.57 1rwt s ASP 215 CO 0.61 -0.03 1.72 -0.65 0.52 0.00 0.00 175.17 177.34 1rwt h PRO 216 N 4.88 0.41 -0.36 4.34 0.11 -0.92 0.73 132.00 141.19 1rwt h PRO 216 Ca -0.02 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 1rwt h PRO 216 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1rwt h PRO 216 CO -0.08 0.27 -0.43 0.28 -0.21 0.00 0.00 178.00 177.82 1rwt h VAL 217 N 0.42 1.27 0.00 3.15 2.07 -1.97 -3.31 116.25 117.87 1rwt h VAL 217 Ca 0.45 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1rwt h VAL 217 Cb 0.73 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1rwt h VAL 217 CO -0.45 0.53 -1.42 0.59 0.02 0.00 0.00 177.57 176.84 1rwt n ASN 218 N -4.04 0.48 -4.11 0.57 3.02 -1.01 -4.67 115.26 105.50 1rwt n ASN 218 Ca -0.03 0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 1rwt n ASN 218 Cb 0.57 1.12 -0.06 0.00 -0.61 0.00 0.00 39.78 40.79 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 -4.95 6.02 0.28 6.41 0.01 0.25 -4.77 114.94 118.20 1rwt s ASN 219 Ca -0.03 -3.71 -0.03 0.00 -0.71 0.00 0.00 52.86 48.38 1rwt s ASN 219 Cb 0.12 -1.91 0.01 0.00 0.41 0.00 0.00 41.25 39.87 1rwt s ASN 219 CO 0.84 -0.19 0.41 -0.46 -1.51 0.00 0.00 177.10 176.20 1rwt n ASN 220 N 2.35 -1.16 -0.11 -1.22 0.23 -1.26 -4.17 115.26 109.92 1rwt n ASN 220 Ca 0.21 -2.45 0.15 0.00 -0.53 0.00 0.00 54.58 51.96 1rwt n ASN 220 Cb 0.37 2.12 0.53 0.00 -2.08 0.00 0.00 39.78 40.72 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 1.92 2.12 0.00 -2.53 0.00 -1.95 -0.99 119.26 117.83 1rwt h ALA 221 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rwt h ALA 221 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rwt h ALA 221 CO 0.29 -0.29 0.09 -1.49 0.00 0.00 0.00 179.25 177.85 1rwt h TRP 222 N 0.36 0.00 0.00 0.00 4.06 -1.97 0.47 115.95 118.88 1rwt h TRP 222 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1rwt h TRP 222 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 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 -0.04 -3.49 -0.00 -1.47 -2.80 115.58 107.78 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 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 -2.77 0.08 0.26 0.67 3.01 0.15 -4.74 117.46 114.12 1rwt n PHE 224 Ca 0.01 -0.66 0.18 0.00 1.01 0.00 0.00 57.45 57.98 1rwt n PHE 224 Cb 0.24 -0.09 0.91 0.00 -0.01 0.00 0.00 39.48 40.53 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 0.26 1.55 -0.29 4.37 0.00 -1.51 -1.63 119.26 122.00 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 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1rwt h ALA 225 CO 0.01 -0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.29 1rwt n THR 226 N -3.51 1.56 0.63 0.00 -2.24 -1.26 -4.64 114.28 104.82 1rwt n THR 226 Ca -0.00 -1.39 0.13 0.00 -2.27 0.00 0.00 64.05 60.51 1rwt n THR 226 Cb 0.27 0.17 0.45 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.02 0.64 -2.29 3.42 4.13 -0.61 -3.91 115.26 116.66 1rwt n ASN 227 Ca 0.15 0.58 -0.17 0.00 1.68 0.00 0.00 54.58 56.82 1rwt n ASN 227 Cb 0.62 -0.75 0.03 0.00 -1.54 0.00 0.00 39.78 38.14 1rwt n ASN 227 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1rwt n PHE 228 N -2.12 2.34 -2.80 3.10 3.01 -1.26 -5.06 117.46 114.67 1rwt n PHE 228 Ca 0.05 -2.26 -0.41 0.00 1.01 0.00 0.00 57.45 55.84 1rwt n PHE 228 Cb 0.37 -0.30 -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 -4.40 4.72 0.37 -4.37 1.01 -1.25 -5.01 120.40 111.47 1rwt s VAL 229 Ca 0.44 1.93 -0.28 0.00 0.00 0.00 0.00 61.98 64.07 1rwt s VAL 229 Cb 0.39 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1rwt s VAL 229 CO 0.01 0.27 1.41 -2.65 0.00 0.00 0.00 175.10 174.13 1rwt n PRO 230 N 3.26 2.44 -0.02 2.72 -0.02 -1.26 -5.20 135.00 136.92 1rwt n PRO 230 Ca 0.02 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1rwt n PRO 230 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1rwt n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89