#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 0.31 0.00 4.33 -0.04 -1.26 -3.53 135.00 134.81 1rwt n PRO 15 Ca 0.00 -0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1rwt n PRO 15 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.29 0.00 -4.20 0.54 5.03 -1.26 -0.87 117.44 115.39 1rwt n TRP 16 Ca 0.11 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.52 1rwt n TRP 16 Cb 0.30 -0.02 -0.10 0.00 -1.03 0.00 0.00 31.31 30.45 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 -2.98 1.13 0.07 -5.99 2.02 -1.23 -4.73 117.35 105.64 1rwt s TYR 17 Ca 0.09 -1.35 0.00 0.00 -0.37 0.00 0.00 57.07 55.44 1rwt s TYR 17 Cb 0.16 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 41.16 1rwt s TYR 17 CO 0.84 -0.61 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1rwt n GLY 18 N -0.25 -1.40 0.21 0.71 0.00 -0.19 -3.64 105.19 100.64 1rwt n GLY 18 Ca 0.01 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.26 0.00 -0.35 1.61 0.13 -1.89 -2.93 132.00 128.30 1rwt h PRO 19 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1rwt h PRO 19 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 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 -2.56 3.38 -4.63 1.44 8.00 -1.26 -5.03 116.55 115.89 1rwt n ASP 20 Ca -0.01 -2.34 -0.30 0.00 0.71 0.00 0.00 54.79 52.85 1rwt n ASP 20 Cb 0.12 -0.36 0.18 0.00 -0.02 0.00 0.00 41.12 41.04 1rwt n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rwt s ARG 21 N -1.62 0.57 0.49 -1.24 1.70 -1.11 -4.86 118.95 112.88 1rwt s ARG 21 Ca 0.32 1.25 -0.20 0.00 -0.47 0.00 0.00 55.73 56.63 1rwt s ARG 21 Cb 0.21 -1.70 -0.08 0.00 -0.57 0.00 0.00 34.95 32.81 1rwt s ARG 21 CO 0.15 -2.84 1.05 0.14 -1.08 0.00 0.00 175.30 172.72 1rwt s VAL 22 N -2.64 3.68 0.28 4.99 -7.23 -0.05 -5.00 120.40 114.43 1rwt s VAL 22 Ca 0.66 1.06 0.11 0.00 -1.81 0.00 0.00 61.98 62.00 1rwt s VAL 22 Cb -0.23 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 1rwt s VAL 22 CO 0.60 -0.21 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.53 1rwt s LYS 23 N -3.20 1.98 0.53 4.82 -0.14 -1.26 -4.44 119.74 118.04 1rwt s LYS 23 Ca 0.68 -1.61 0.35 0.00 -1.36 0.00 0.00 55.97 54.03 1rwt s LYS 23 Cb -0.18 -1.96 1.71 0.00 -1.68 0.00 0.00 37.83 35.73 1rwt s LYS 23 CO 0.21 0.33 2.06 0.10 -0.76 0.00 0.00 175.35 177.30 1rwt h TYR 24 N 2.06 0.00 -0.26 3.18 -0.00 -1.51 -1.99 116.97 118.45 1rwt h TYR 24 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 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 0.75 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.19 1rwt n LEU 25 N -2.87 3.26 0.00 0.10 4.77 -1.26 -5.03 117.00 115.97 1rwt n LEU 25 Ca -0.01 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 1rwt n LEU 25 Cb 0.17 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1rwt n LEU 25 CO 0.21 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1rwt n GLY 26 N -0.14 3.61 0.25 -0.72 0.00 -0.75 -1.67 105.19 105.77 1rwt n GLY 26 Ca 0.15 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 0.06 -0.40 1.61 0.11 -1.97 -2.70 132.00 128.71 1rwt h PRO 27 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1rwt h PRO 27 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1rwt h PRO 27 CO 0.00 0.13 0.00 1.19 -0.21 0.00 0.00 178.00 179.11 1rwt n PHE 28 N -4.42 0.52 0.33 0.65 3.01 -0.67 -4.51 117.46 112.37 1rwt n PHE 28 Ca -0.02 -0.26 0.16 0.00 1.01 0.00 0.00 57.45 58.34 1rwt n PHE 28 Cb 0.17 0.00 0.85 0.00 -0.01 0.00 0.00 39.48 40.48 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 3.34 0.00 0.00 4.37 0.02 -1.47 -3.47 113.55 116.33 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 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1rwt h SER 29 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1rwt n GLY 30 N -1.22 0.90 3.73 -3.77 0.00 -1.26 -4.54 105.19 99.03 1rwt n GLY 30 Ca -0.02 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 4.73 0.30 1.61 2.12 -1.26 -5.06 118.70 121.15 1rwt s GLU 31 Ca 0.00 1.48 0.03 0.00 0.36 0.00 0.00 54.97 56.84 1rwt s GLU 31 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1rwt s GLU 31 CO 0.00 0.28 0.46 -1.54 -0.54 0.00 0.00 175.26 173.92 1rwt s SER 32 N -0.31 6.24 0.27 -1.70 1.04 -1.26 -5.04 113.70 112.94 1rwt s SER 32 Ca 0.46 0.20 -0.28 0.00 0.48 0.00 0.00 55.95 56.80 1rwt s SER 32 Cb -0.24 -1.84 -0.15 0.00 0.10 0.00 0.00 66.02 63.89 1rwt s SER 32 CO 0.31 -0.23 0.93 -2.65 0.98 0.00 0.00 173.24 172.58 1rwt n PRO 33 N -1.61 1.11 0.27 4.02 -0.02 -1.26 -4.83 135.00 132.68 1rwt n PRO 33 Ca -0.06 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1rwt n PRO 33 Cb 0.57 -1.70 0.75 0.00 -0.02 0.00 0.00 33.50 33.10 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 1.85 0.00 0.27 2.55 4.64 -2.01 -2.10 113.55 118.75 1rwt h SER 34 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1rwt h SER 34 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1rwt h SER 34 CO 0.60 0.06 -0.15 0.00 -0.87 0.00 0.00 176.83 176.47 1rwt n TYR 35 N -3.99 0.00 -3.55 4.77 0.18 -1.26 -4.48 117.16 108.83 1rwt n TYR 35 Ca -0.03 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.35 1rwt n TYR 35 Cb 0.15 -0.14 -0.07 0.00 -0.38 0.00 0.00 39.34 38.91 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 -2.43 5.85 -0.05 -3.48 1.43 -0.79 -4.92 118.68 114.29 1rwt s LEU 36 Ca 0.28 -2.67 0.18 0.00 -1.03 0.00 0.00 54.13 50.89 1rwt s LEU 36 Cb 0.20 -2.00 0.58 0.00 0.03 0.00 0.00 46.19 44.99 1rwt s LEU 36 CO 0.48 -0.49 1.49 0.35 0.23 0.00 0.00 176.35 178.41 1rwt n THR 37 N 3.86 1.39 -2.26 5.49 -2.24 -1.26 -4.70 114.28 114.55 1rwt n THR 37 Ca 0.08 -1.14 -0.02 0.00 -2.27 0.00 0.00 64.05 60.70 1rwt n THR 37 Cb 0.41 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.01 0.50 0.10 3.38 0.00 -1.26 -4.30 105.19 104.61 1rwt n GLY 38 Ca 0.21 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.09 0.67 -4.14 1.61 2.13 -1.26 -1.02 120.64 117.54 1rwt n GLU 39 Ca -0.01 0.11 -0.27 0.00 0.66 0.00 0.00 57.16 57.65 1rwt n GLU 39 Cb 0.51 -1.61 -0.07 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 -2.53 2.99 0.48 4.31 0.08 -1.26 -5.01 117.98 117.04 1rwt s PHE 40 Ca -0.12 -0.07 -0.24 0.00 0.12 0.00 0.00 56.93 56.62 1rwt s PHE 40 Cb 0.07 -1.45 -0.07 0.00 -0.57 0.00 0.00 43.02 40.99 1rwt s PHE 40 CO 0.80 0.52 1.33 -2.30 -0.10 0.00 0.00 175.22 175.47 1rwt n PRO 41 N -0.16 1.88 -0.97 0.24 -0.02 -1.26 -2.82 135.00 131.90 1rwt n PRO 41 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1rwt n PRO 41 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.76 0.56 3.57 -1.23 0.00 -1.26 -4.97 105.19 102.61 1rwt n GLY 42 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 6.01 -0.07 1.61 -1.08 -1.13 -4.76 116.67 114.96 1rwt s ASP 43 Ca 0.00 0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.33 1rwt s ASP 43 Cb 0.00 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.29 1rwt s ASP 43 CO 0.00 -1.82 1.30 -1.22 0.52 0.00 0.00 175.17 173.95 1rwt n TYR 44 N 9.98 0.60 -1.79 -5.34 4.02 -1.26 -4.83 117.16 118.54 1rwt n TYR 44 Ca 0.12 -0.65 -0.05 0.00 -0.01 0.00 0.00 57.90 57.31 1rwt n TYR 44 Cb 0.49 -0.14 -0.01 0.00 -0.02 0.00 0.00 39.34 39.67 1rwt n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rwt n GLY 45 N 0.03 0.35 3.39 2.72 0.00 -1.26 -1.21 105.19 109.21 1rwt n GLY 45 Ca 0.15 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.22 3.17 -0.39 1.61 -0.00 -1.26 -4.51 118.94 115.35 1rwt s TRP 46 Ca 0.00 -0.78 0.06 0.00 -0.00 0.00 0.00 56.10 55.37 1rwt s TRP 46 Cb 0.00 -2.32 0.30 0.00 -0.00 0.00 0.00 33.47 31.44 1rwt s TRP 46 CO 0.00 -0.53 1.24 -3.47 -0.00 0.00 0.00 176.95 174.19 1rwt n ASP 47 N 4.94 -1.77 0.26 5.86 4.64 -1.26 -5.01 116.55 124.20 1rwt n ASP 47 Ca -0.14 -2.62 0.17 0.00 -1.38 0.00 0.00 54.79 50.82 1rwt n ASP 47 Cb 0.48 1.37 0.92 0.00 -1.04 0.00 0.00 41.12 42.85 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 1.71 0.00 -0.06 5.18 1.35 -2.05 -0.32 112.91 118.73 1rwt h THR 48 Ca -0.28 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1rwt h THR 48 Cb 1.20 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1rwt h THR 48 CO -0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 1rwt n ALA 49 N -1.94 2.49 -2.97 6.62 0.00 -1.26 -4.96 120.51 118.50 1rwt n ALA 49 Ca -0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 53.44 52.58 1rwt n ALA 49 Cb 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 1.30 -0.50 0.24 0.00 0.00 -0.13 -4.85 105.19 101.25 1rwt n GLY 50 Ca 0.16 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.83 0.00 -3.06 0.99 3.38 -1.93 -3.19 115.31 110.67 1rwt h LEU 51 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rwt h LEU 51 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1rwt h LEU 51 CO 0.51 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.84 1rwt n SER 52 N -3.02 3.18 -0.34 -0.43 7.64 -1.26 -4.69 113.62 114.69 1rwt n SER 52 Ca 0.02 -2.52 0.16 0.00 1.01 0.00 0.00 58.87 57.54 1rwt n SER 52 Cb 0.41 -0.36 0.37 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.55 1.79 -2.28 -0.43 0.00 -1.95 -3.38 119.26 114.56 1rwt h ALA 53 Ca 0.00 0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.44 1rwt h ALA 53 Cb 1.03 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1rwt h ALA 53 CO 0.09 -0.22 0.54 0.34 0.00 0.00 0.00 179.25 180.01 1rwt s ASP 54 N -5.31 7.11 0.55 0.00 -1.08 -1.26 -4.94 116.67 111.75 1rwt s ASP 54 Ca -0.11 1.37 0.22 0.00 -0.52 0.00 0.00 52.55 53.52 1rwt s ASP 54 Cb 0.26 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.73 1rwt s ASP 54 CO 0.80 -0.47 2.20 1.55 0.52 0.00 0.00 175.17 179.77 1rwt h PRO 55 N 7.24 0.00 -0.28 4.34 0.13 -1.99 0.15 132.00 141.59 1rwt h PRO 55 Ca -0.28 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.68 1rwt h PRO 55 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1rwt h PRO 55 CO 0.87 0.00 -0.49 1.49 -0.23 0.00 0.00 178.00 179.64 1rwt h GLU 56 N 0.00 0.82 -0.06 0.86 4.57 -1.92 -2.15 114.58 116.71 1rwt h GLU 56 Ca 0.00 -0.51 -0.23 0.00 -1.18 0.00 0.00 59.36 57.44 1rwt h GLU 56 Cb 0.01 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1rwt h GLU 56 CO -0.00 1.14 -0.88 1.15 -1.18 0.00 0.00 179.01 179.24 1rwt h THR 57 N 0.58 1.33 -0.74 0.32 2.02 -1.77 -3.03 112.91 111.62 1rwt h THR 57 Ca 0.02 -2.20 0.10 0.00 0.77 0.00 0.00 66.41 65.09 1rwt h THR 57 Cb 1.10 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 69.66 1rwt h THR 57 CO 0.11 0.68 0.38 0.15 0.37 0.00 0.00 175.52 177.21 1rwt h PHE 58 N 0.37 0.69 0.17 3.16 3.57 -0.67 0.12 116.94 124.34 1rwt h PHE 58 Ca -0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1rwt h PHE 58 Cb 1.51 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1rwt h PHE 58 CO 0.08 0.25 -0.09 0.00 -2.23 0.00 0.00 178.31 176.32 1rwt h ALA 59 N 1.44 -0.23 -0.72 2.41 0.00 -1.35 -1.59 119.26 119.22 1rwt h ALA 59 Ca 0.36 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1rwt h ALA 59 Cb 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1rwt h ALA 59 CO -0.27 -0.63 0.41 0.87 0.00 0.00 0.00 179.25 179.63 1rwt h LYS 60 N -0.24 0.74 -0.27 0.00 1.79 -1.18 -1.50 116.57 115.91 1rwt h LYS 60 Ca -0.02 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 1rwt h LYS 60 Cb 0.19 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1rwt h LYS 60 CO 0.03 0.49 -0.09 -0.91 -1.08 0.00 0.00 179.45 177.90 1rwt h ASN 61 N 0.76 0.41 -0.65 0.86 2.35 -0.63 -0.67 115.58 118.02 1rwt h ASN 61 Ca 0.32 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1rwt h ASN 61 Cb 0.18 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1rwt h ASN 61 CO -0.18 0.54 0.15 0.03 -1.65 0.00 0.00 177.43 176.32 1rwt h ARG 62 N 0.41 1.06 -0.07 0.81 3.08 -0.29 0.91 114.38 120.29 1rwt h ARG 62 Ca 0.08 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1rwt h ARG 62 Cb 0.41 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1rwt h ARG 62 CO 0.02 0.95 0.01 0.93 -1.07 0.00 0.00 179.97 180.81 1rwt h GLU 63 N 1.01 0.11 -0.64 0.04 5.08 -0.85 -2.03 114.58 117.31 1rwt h GLU 63 Ca 0.21 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 1rwt h GLU 63 Cb 0.38 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1rwt h GLU 63 CO 0.00 0.35 0.20 -0.07 -1.00 0.00 0.00 179.01 178.49 1rwt h LEU 64 N -0.14 0.13 0.11 1.33 3.38 -0.83 -0.56 115.31 118.74 1rwt h LEU 64 Ca 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rwt h LEU 64 Cb 0.29 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1rwt h LEU 64 CO 0.00 0.07 -0.05 -0.08 0.09 0.00 0.00 178.44 178.47 1rwt h GLU 65 N 0.35 -0.15 -0.59 1.13 4.81 -0.64 -0.60 114.58 118.89 1rwt h GLU 65 Ca 0.34 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1rwt h GLU 65 Cb 0.48 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1rwt h GLU 65 CO -0.38 0.06 0.24 0.28 -0.73 0.00 0.00 179.01 178.48 1rwt h VAL 66 N -0.33 1.22 -0.27 0.32 2.07 -1.13 0.37 116.25 118.50 1rwt h VAL 66 Ca -0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1rwt h VAL 66 Cb 0.27 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1rwt h VAL 66 CO 0.03 0.27 0.14 0.40 0.02 0.00 0.00 177.57 178.43 1rwt h ILE 67 N 0.81 1.13 -0.77 4.57 1.08 -1.08 -0.70 117.51 122.55 1rwt h ILE 67 Ca 0.20 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1rwt h ILE 67 Cb 0.19 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1rwt h ILE 67 CO -0.02 0.13 0.49 0.45 -0.69 0.00 0.00 178.15 178.51 1rwt h HIS 68 N 0.32 0.98 -0.15 1.37 3.86 -0.82 -1.97 115.15 118.75 1rwt h HIS 68 Ca 0.09 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1rwt h HIS 68 Cb 0.08 -0.33 -0.07 0.00 1.06 0.00 0.00 27.41 28.15 1rwt h HIS 68 CO -0.03 0.63 -0.40 0.00 0.86 0.00 0.00 177.93 179.00 1rwt h ARG 70 N -0.46 0.95 -0.29 0.00 3.08 -0.88 -0.93 114.38 115.86 1rwt h ARG 70 Ca 0.08 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 1rwt h ARG 70 Cb 0.61 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1rwt h ARG 70 CO -0.40 0.63 -0.53 -1.49 -1.07 0.00 0.00 179.97 177.12 1rwt h TRP 71 N 0.98 1.04 -0.15 3.04 4.06 -0.64 -2.77 115.95 121.52 1rwt h TRP 71 Ca 0.29 -0.36 -0.09 0.00 2.06 0.00 0.00 58.89 60.78 1rwt h TRP 71 Cb -0.05 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 1rwt h TRP 71 CO -0.00 1.18 -0.32 0.00 -3.56 0.00 0.00 178.44 175.73 1rwt h ALA 72 N 0.75 1.18 -0.23 1.49 0.00 -0.15 0.55 119.26 122.85 1rwt h ALA 72 Ca 0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1rwt h ALA 72 Cb 1.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1rwt h ALA 72 CO 0.12 0.54 -0.24 0.52 0.00 0.00 0.00 179.25 180.18 1rwt h MET 73 N 0.26 0.57 -0.38 0.00 2.86 -1.15 0.31 114.93 117.40 1rwt h MET 73 Ca 0.03 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1rwt h MET 73 Cb 0.70 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1rwt h MET 73 CO 0.05 0.90 0.11 -0.07 1.06 0.00 0.00 176.91 178.96 1rwt h LEU 74 N 0.27 0.55 -0.30 1.22 3.38 -1.33 -2.54 115.31 116.57 1rwt h LEU 74 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rwt h LEU 74 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1rwt h LEU 74 CO 0.06 0.62 0.18 1.23 0.09 0.00 0.00 178.44 180.62 1rwt h GLY 75 N 0.46 0.43 0.58 0.83 0.00 -0.78 0.33 103.07 104.93 1rwt h GLY 75 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1rwt h GLY 75 CO -0.00 0.17 -0.24 0.00 0.00 0.00 0.00 176.54 176.48 1rwt h ALA 76 N 1.07 -0.39 -0.73 3.60 0.00 -0.29 0.54 119.26 123.06 1rwt h ALA 76 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rwt h ALA 76 Cb 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1rwt h ALA 76 CO -0.02 -0.76 0.32 1.25 0.00 0.00 0.00 179.25 180.03 1rwt h LEU 77 N -0.43 0.99 -0.86 0.00 5.85 -1.37 -2.47 115.31 117.02 1rwt h LEU 77 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1rwt h LEU 77 Cb 0.46 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1rwt h LEU 77 CO -0.14 0.87 0.19 1.23 -0.34 0.00 0.00 178.44 180.25 1rwt h GLY 78 N 1.04 1.11 0.90 3.75 0.00 0.31 -0.82 103.07 109.36 1rwt h GLY 78 Ca 0.25 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1rwt h GLY 78 CO -0.03 0.61 -0.07 0.00 0.00 0.00 0.00 176.54 177.06 1rwt h VAL 80 N 0.38 1.41 -0.40 0.00 2.07 -1.37 -3.39 116.25 114.96 1rwt h VAL 80 Ca 0.08 -1.95 0.07 0.00 0.82 0.00 0.00 66.70 65.72 1rwt h VAL 80 Cb 0.56 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.67 1rwt h VAL 80 CO 0.03 0.57 -0.45 0.15 0.02 0.00 0.00 177.57 177.89 1rwt h PHE 81 N -0.04 -1.31 -0.65 1.57 3.57 -1.27 0.78 116.94 119.59 1rwt h PHE 81 Ca -0.05 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1rwt h PHE 81 Cb 1.21 0.63 -0.07 0.00 2.79 0.00 0.00 35.95 40.50 1rwt h PHE 81 CO 0.13 -0.45 0.28 -1.35 -2.23 0.00 0.00 178.31 174.69 1rwt h PRO 82 N -0.34 0.47 -0.18 6.41 0.11 -1.76 -0.13 132.00 136.59 1rwt h PRO 82 Ca 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1rwt h PRO 82 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1rwt h PRO 82 CO -0.57 0.31 -0.17 1.49 -0.21 0.00 0.00 178.00 178.84 1rwt h GLU 83 N 0.48 0.29 0.16 1.05 4.81 -1.37 -1.43 114.58 118.58 1rwt h GLU 83 Ca 0.32 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1rwt h GLU 83 Cb 0.38 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1rwt h GLU 83 CO -0.29 0.47 -0.08 1.25 -0.73 0.00 0.00 179.01 179.63 1rwt h LEU 84 N 0.27 -0.18 -1.42 1.64 5.85 0.90 -1.47 115.31 120.90 1rwt h LEU 84 Ca 0.05 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1rwt h LEU 84 Cb 0.47 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1rwt h LEU 84 CO 0.03 -0.03 0.13 -0.07 -0.34 0.00 0.00 178.44 178.16 1rwt h LEU 85 N -0.32 0.46 -0.88 2.25 3.38 -0.97 -2.23 115.31 117.00 1rwt h LEU 85 Ca -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1rwt h LEU 85 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rwt h LEU 85 CO 0.04 0.44 -0.22 0.00 0.09 0.00 0.00 178.44 178.79 1rwt h ALA 86 N 1.63 1.05 0.00 1.53 0.00 -0.97 -0.97 119.26 121.54 1rwt h ALA 86 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rwt h ALA 86 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rwt h ALA 86 CO -0.01 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.35 1rwt n ARG 87 N -4.13 0.06 -0.54 0.00 5.12 -0.58 -2.22 116.66 114.36 1rwt n ARG 87 Ca 0.00 0.29 0.04 0.00 -1.93 0.00 0.00 57.85 56.25 1rwt n ARG 87 Cb 0.40 -1.60 0.23 0.00 -1.16 0.00 0.00 32.46 30.33 1rwt n ARG 87 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rwt n ASN 88 N -1.71 3.28 0.00 0.55 3.02 -0.46 -4.98 115.26 114.96 1rwt n ASN 88 Ca 0.03 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1rwt n ASN 88 Cb 0.20 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1rwt n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rwt n GLY 89 N -0.81 0.54 3.70 7.41 0.00 -0.94 -5.04 105.19 110.06 1rwt n GLY 89 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.24 4.86 -0.41 1.61 1.01 -0.63 -4.99 120.40 119.61 1rwt s VAL 90 Ca 0.00 1.99 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 1rwt s VAL 90 Cb 0.00 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1rwt s VAL 90 CO 0.00 0.12 0.57 -0.54 0.00 0.00 0.00 175.10 175.25 1rwt s LYS 91 N 1.31 3.32 0.42 2.72 1.02 -1.26 -4.11 119.74 123.14 1rwt s LYS 91 Ca 0.49 -0.41 0.08 0.00 0.02 0.00 0.00 55.97 56.15 1rwt s LYS 91 Cb -0.20 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 1rwt s LYS 91 CO 0.24 -0.89 0.40 -0.06 -0.92 0.00 0.00 175.35 174.12 1rwt s PHE 92 N 2.58 2.71 0.11 3.18 0.08 -1.26 -3.88 117.98 121.49 1rwt s PHE 92 Ca 0.19 -0.49 -0.13 0.00 0.12 0.00 0.00 56.93 56.63 1rwt s PHE 92 Cb -0.15 -2.19 -0.13 0.00 -0.57 0.00 0.00 43.02 39.98 1rwt s PHE 92 CO 0.16 -0.16 1.35 0.78 -0.10 0.00 0.00 175.22 177.25 1rwt h GLY 93 N 0.98 0.88 -5.43 4.36 0.00 -1.95 -3.43 103.07 98.48 1rwt h GLY 93 Ca -0.41 -1.13 -0.01 0.00 0.00 0.00 0.00 47.33 45.78 1rwt h GLY 93 CO 0.56 1.01 -0.23 -0.54 0.00 0.00 0.00 176.54 177.34 1rwt s GLU 94 N -3.94 0.47 -0.07 4.80 0.41 -1.26 -5.02 118.70 114.08 1rwt s GLU 94 Ca -0.11 1.21 0.20 0.00 -0.41 0.00 0.00 54.97 55.87 1rwt s GLU 94 Cb 0.09 0.51 -0.28 0.00 -1.78 0.00 0.00 34.13 32.67 1rwt s GLU 94 CO 0.89 -0.21 0.40 0.00 -0.49 0.00 0.00 175.26 175.84 1rwt n ALA 95 N 5.22 2.33 -2.28 5.21 0.00 -1.26 -4.50 120.51 125.23 1rwt n ALA 95 Ca -0.12 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 1rwt n ALA 95 Cb 0.51 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1rwt n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rwt s VAL 96 N -3.15 3.63 0.28 0.00 1.01 -1.26 -3.27 120.40 117.64 1rwt s VAL 96 Ca -0.08 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.08 1rwt s VAL 96 Cb 0.11 -3.75 0.27 0.00 0.00 0.00 0.00 36.38 33.01 1rwt s VAL 96 CO 0.87 0.09 1.77 4.11 0.00 0.00 0.00 175.10 181.94 1rwt h TRP 97 N 6.85 0.90 -0.05 5.22 5.08 -1.92 -0.85 115.95 131.18 1rwt h TRP 97 Ca -0.42 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.59 1rwt h TRP 97 Cb 1.21 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1rwt h TRP 97 CO 0.67 0.21 0.00 1.97 -1.28 0.00 0.00 178.44 180.01 1rwt n PHE 98 N -4.82 0.08 0.00 0.12 1.16 -1.26 -3.15 117.46 109.59 1rwt n PHE 98 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 1rwt n PHE 98 Cb 0.48 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 -0.30 3.00 -0.35 3.97 5.02 -0.43 -4.81 118.16 124.26 1rwt n LYS 99 Ca 0.02 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1rwt n LYS 99 Cb 0.08 -0.65 0.34 0.00 -0.02 0.00 0.00 35.03 34.78 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 1.73 -0.82 7.82 0.00 -1.23 -2.21 119.26 124.55 1rwt h ALA 100 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rwt h ALA 100 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1rwt h ALA 100 CO 0.00 -0.10 0.53 0.78 0.00 0.00 0.00 179.25 180.47 1rwt h GLY 101 N 0.73 1.18 1.90 0.00 0.00 -1.88 -2.70 103.07 102.31 1rwt h GLY 101 Ca 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1rwt h GLY 101 CO -0.37 0.37 0.04 -1.14 0.00 0.00 0.00 176.54 175.44 1rwt n SER 102 N -4.55 0.55 -0.14 0.19 3.41 -0.83 -2.57 113.62 109.68 1rwt n SER 102 Ca 0.09 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 1rwt n SER 102 Cb 0.06 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 63.68 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 0.47 -0.19 4.33 4.20 -1.60 -0.22 115.11 122.09 1rwt h GLN 103 Ca 0.00 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1rwt h GLN 103 Cb 0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1rwt h GLN 103 CO 0.00 0.31 0.21 0.97 -0.67 0.00 0.00 178.83 179.65 1rwt h ILE 104 N 0.49 0.47 -0.01 2.54 6.09 -1.74 0.25 117.51 125.60 1rwt h ILE 104 Ca 0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.81 1rwt h ILE 104 Cb 0.60 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.73 1rwt h ILE 104 CO -0.10 0.00 -0.14 0.49 -3.07 0.00 0.00 178.15 175.33 1rwt n PHE 105 N -3.81 0.00 -1.25 2.19 3.72 -0.10 -4.70 117.46 113.51 1rwt n PHE 105 Ca 0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 1rwt n PHE 105 Cb 0.33 -0.07 0.12 0.00 -0.94 0.00 0.00 39.48 38.93 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 -2.27 3.77 0.11 4.37 0.01 0.86 -4.95 113.70 115.60 1rwt s SER 106 Ca 0.31 1.53 -0.22 0.00 1.31 0.00 0.00 55.95 58.88 1rwt s SER 106 Cb 0.20 -2.22 -0.10 0.00 0.21 0.00 0.00 66.02 64.11 1rwt s SER 106 CO 0.43 -2.45 1.73 -0.08 0.41 0.00 0.00 173.24 173.28 1rwt h GLU 107 N -1.42 0.03 -0.01 12.44 4.81 -1.91 -2.73 114.58 125.79 1rwt h GLU 107 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1rwt h GLU 107 Cb 1.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1rwt h GLU 107 CO 0.54 0.02 -0.05 0.41 -0.73 0.00 0.00 179.01 179.20 1rwt n GLY 108 N -1.13 -0.51 6.04 1.92 0.00 -1.26 -5.05 105.19 105.21 1rwt n GLY 108 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.18 -1.99 3.51 -0.02 0.00 -1.03 -4.77 105.19 102.07 1rwt n GLY 109 Ca 0.18 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 4.64 -0.24 0.99 0.20 -0.14 -4.75 118.68 119.39 1rwt s LEU 110 Ca 0.00 -0.44 -0.09 0.00 0.69 0.00 0.00 54.13 54.28 1rwt s LEU 110 Cb 0.00 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 1rwt s LEU 110 CO 0.00 -0.62 0.13 -1.81 -0.29 0.00 0.00 176.35 173.76 1rwt s ASP 111 N 1.86 5.81 0.25 3.68 1.01 -1.26 -1.48 116.67 126.53 1rwt s ASP 111 Ca 0.17 0.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.15 1rwt s ASP 111 Cb -0.16 -2.04 -0.10 0.00 1.01 0.00 0.00 42.92 41.63 1rwt s ASP 111 CO 0.15 0.05 1.51 -0.47 0.21 0.00 0.00 175.17 176.62 1rwt s TYR 112 N 1.13 2.95 -1.65 4.23 5.04 -0.42 -1.63 117.35 126.99 1rwt s TYR 112 Ca 0.06 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1rwt s TYR 112 Cb -0.14 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.26 1rwt s TYR 112 CO 0.05 -3.08 0.00 1.28 -1.34 0.00 0.00 175.55 172.45 1rwt n LEU 113 N 2.59 -1.17 0.00 6.97 4.77 -1.26 -1.07 117.00 127.82 1rwt n LEU 113 Ca 0.08 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1rwt n LEU 113 Cb 0.39 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1rwt n LEU 113 CO 0.62 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 1rwt n GLY 114 N -0.34 1.64 3.65 -0.72 0.00 -0.65 -4.74 105.19 104.04 1rwt n GLY 114 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.28 6.76 0.00 1.61 3.84 -0.24 -4.93 114.94 118.71 1rwt s ASN 115 Ca 0.00 0.93 0.11 0.00 0.21 0.00 0.00 52.86 54.11 1rwt s ASN 115 Cb 0.00 -2.39 0.61 0.00 -0.55 0.00 0.00 41.25 38.92 1rwt s ASN 115 CO 0.00 -0.39 1.17 -2.65 -2.79 0.00 0.00 177.10 172.44 1rwt n PRO 116 N 5.51 0.26 -0.29 0.43 -0.02 -1.26 -1.86 135.00 137.77 1rwt n PRO 116 Ca 0.02 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1rwt n PRO 116 Cb 0.49 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.73 1rwt n PRO 116 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rwt n SER 117 N -1.13 3.62 -3.97 2.55 7.64 -1.26 -4.66 113.62 116.40 1rwt n SER 117 Ca 0.07 -1.98 -0.31 0.00 1.01 0.00 0.00 58.87 57.66 1rwt n SER 117 Cb 0.06 -0.38 -0.16 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.10 2.61 0.00 -3.43 1.43 -0.78 -4.91 118.68 112.50 1rwt s LEU 118 Ca 0.41 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1rwt s LEU 118 Cb 0.22 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1rwt s LEU 118 CO 0.29 -0.20 0.00 0.52 0.23 0.00 0.00 176.35 177.19 1rwt n VAL 119 N 4.64 0.00 -3.76 -1.59 0.31 -1.26 -1.30 118.33 115.37 1rwt n VAL 119 Ca -0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.96 1rwt n VAL 119 Cb 0.44 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.41 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 -2.06 -1.96 3.52 -0.00 -1.03 -4.90 115.22 108.80 1rwt n HIS 120 Ca 0.00 0.87 -0.41 0.00 0.46 0.00 0.00 57.72 58.63 1rwt n HIS 120 Cb 0.00 -4.30 -0.02 0.00 -0.12 0.00 0.00 29.99 25.55 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 -3.55 3.65 -0.02 1.57 0.00 -0.55 -4.73 121.76 118.13 1rwt s ALA 121 Ca 0.21 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1rwt s ALA 121 Cb -0.10 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1rwt s ALA 121 CO 0.81 -0.80 0.04 1.04 0.00 0.00 0.00 175.76 176.86 1rwt n GLN 122 N 2.27 1.70 -4.03 0.00 1.13 -1.26 -0.96 117.38 116.23 1rwt n GLN 122 Ca 0.07 -0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.78 1rwt n GLN 122 Cb 0.40 -1.08 -0.15 0.00 0.11 0.00 0.00 30.24 29.52 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 -2.86 3.94 0.25 1.08 0.15 -1.26 -4.95 113.70 110.05 1rwt s SER 123 Ca -0.01 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.76 1rwt s SER 123 Cb 0.02 -1.59 0.29 0.00 -1.71 0.00 0.00 66.02 63.02 1rwt s SER 123 CO 0.14 -0.09 1.74 -0.29 1.20 0.00 0.00 173.24 175.94 1rwt h ILE 124 N 6.14 1.25 -0.69 6.45 6.09 -1.95 -1.99 117.51 132.81 1rwt h ILE 124 Ca -0.36 -1.02 0.04 0.00 -1.37 0.00 0.00 64.86 62.16 1rwt h ILE 124 Cb 1.11 0.85 -0.05 0.00 0.47 0.00 0.00 36.82 39.20 1rwt h ILE 124 CO 0.58 0.36 0.41 -0.07 -3.07 0.00 0.00 178.15 176.37 1rwt h LEU 125 N 0.79 0.65 -0.37 2.19 3.38 -1.99 0.18 115.31 120.13 1rwt h LEU 125 Ca 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1rwt h LEU 125 Cb 0.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1rwt h LEU 125 CO 0.02 0.43 0.12 0.00 0.09 0.00 0.00 178.44 179.10 1rwt h ALA 126 N 1.33 0.49 0.49 1.53 0.00 -1.88 -0.66 119.26 120.56 1rwt h ALA 126 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1rwt h ALA 126 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rwt h ALA 126 CO -0.14 0.13 -0.24 0.82 0.00 0.00 0.00 179.25 179.81 1rwt h ILE 127 N 0.45 0.51 -0.79 0.00 2.04 -0.83 -2.24 117.51 116.66 1rwt h ILE 127 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.13 1rwt h ILE 127 Cb 0.25 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 1rwt h ILE 127 CO -0.00 0.00 0.35 -0.25 0.00 0.00 0.00 178.15 178.24 1rwt h TRP 128 N -0.67 0.59 -0.53 1.37 7.01 -0.58 -1.91 115.95 121.24 1rwt h TRP 128 Ca -0.07 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1rwt h TRP 128 Cb 0.51 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1rwt h TRP 128 CO -0.04 0.09 0.17 0.00 -2.79 0.00 0.00 178.44 175.87 1rwt h ALA 129 N 1.56 0.69 -0.30 2.65 0.00 -0.91 -2.15 119.26 120.81 1rwt h ALA 129 Ca 0.43 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1rwt h ALA 129 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rwt h ALA 129 CO -0.40 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.13 1rwt h GLN 131 N 0.45 0.66 -0.41 0.00 4.15 -1.04 -0.11 115.11 118.81 1rwt h GLN 131 Ca 0.09 -0.24 0.04 0.00 0.77 0.00 0.00 58.65 59.31 1rwt h GLN 131 Cb 0.40 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1rwt h GLN 131 CO 0.02 0.81 0.18 0.28 -1.93 0.00 0.00 178.83 178.19 1rwt h VAL 132 N 0.46 0.93 0.67 2.39 2.07 -1.23 0.12 116.25 121.67 1rwt h VAL 132 Ca 0.09 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1rwt h VAL 132 Cb 0.55 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1rwt h VAL 132 CO 0.03 0.07 -0.32 0.40 0.02 0.00 0.00 177.57 177.77 1rwt h ILE 133 N 0.38 0.06 -0.31 4.57 1.08 -1.40 0.33 117.51 122.21 1rwt h ILE 133 Ca 0.18 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1rwt h ILE 133 Cb 0.12 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.93 1rwt h ILE 133 CO -0.15 0.01 0.15 -0.07 -0.69 0.00 0.00 178.15 177.40 1rwt h LEU 134 N -1.21 0.22 -0.29 1.44 3.38 -0.99 0.12 115.31 117.98 1rwt h LEU 134 Ca -0.09 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1rwt h LEU 134 Cb 0.70 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1rwt h LEU 134 CO 0.15 0.17 -0.45 0.24 0.09 0.00 0.00 178.44 178.64 1rwt h MET 135 N 0.32 0.83 -0.92 1.13 2.86 -0.85 -1.63 114.93 116.66 1rwt h MET 135 Ca 0.13 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1rwt h MET 135 Cb 0.04 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1rwt h MET 135 CO -0.09 1.13 0.59 0.78 1.06 0.00 0.00 176.91 180.38 1rwt h GLY 136 N 0.60 1.30 0.57 8.32 0.00 -0.75 0.18 103.07 113.29 1rwt h GLY 136 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1rwt h GLY 136 CO 0.10 0.50 -0.07 0.00 0.00 0.00 0.00 176.54 177.06 1rwt h ALA 137 N 1.40 -0.21 0.00 3.60 0.00 -0.87 -1.65 119.26 121.52 1rwt h ALA 137 Ca 0.33 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1rwt h ALA 137 Cb -0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rwt h ALA 137 CO -0.07 -0.40 -0.35 -0.39 0.00 0.00 0.00 179.25 178.04 1rwt h VAL 138 N -0.64 1.02 -0.06 0.00 -1.51 -1.15 -0.74 116.25 113.17 1rwt h VAL 138 Ca -0.02 -1.30 -0.15 0.00 -1.23 0.00 0.00 66.70 64.00 1rwt h VAL 138 Cb 0.48 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1rwt h VAL 138 CO 0.04 0.34 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.75 1rwt h GLU 139 N 0.00 0.22 -0.45 5.19 4.39 -0.67 -2.12 114.58 121.13 1rwt h GLU 139 Ca -0.00 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1rwt h GLU 139 Cb 0.72 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1rwt h GLU 139 CO 0.05 0.78 -0.03 0.78 -1.16 0.00 0.00 179.01 179.43 1rwt h GLY 140 N 1.54 0.88 0.99 -3.84 0.00 -0.36 -2.97 103.07 99.31 1rwt h GLY 140 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1rwt h GLY 140 CO 0.10 0.61 0.31 -0.97 0.00 0.00 0.00 176.54 176.59 1rwt h TYR 141 N 0.66 0.74 -0.27 5.60 0.99 -1.06 0.91 116.97 124.54 1rwt h TYR 141 Ca 0.12 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.92 1rwt h TYR 141 Cb 0.53 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 1rwt h TYR 141 CO 0.04 0.53 0.26 -0.09 -0.00 0.00 0.00 178.16 178.90 1rwt h ARG 142 N 0.74 0.00 0.01 4.88 2.43 -1.23 1.43 114.38 122.63 1rwt h ARG 142 Ca 0.19 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.04 1rwt h ARG 142 Cb 0.02 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1rwt h ARG 142 CO -0.03 0.00 -1.80 -0.89 -1.51 0.00 0.00 179.97 175.74 1rwt n ILE 143 N -3.94 1.55 0.08 1.20 2.08 -0.81 -4.63 119.36 114.89 1rwt n ILE 143 Ca 0.04 -0.21 0.11 0.00 0.56 0.00 0.00 62.75 63.25 1rwt n ILE 143 Cb 0.41 -1.94 -0.08 0.00 -0.75 0.00 0.00 39.64 37.28 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 -3.67 2.71 0.00 -1.39 0.00 0.25 -4.91 120.51 113.50 1rwt n ALA 144 Ca -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1rwt n ALA 144 Cb 0.79 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 1.23 2.41 0.00 0.00 0.00 0.49 -4.63 105.19 104.68 1rwt n GLY 145 Ca -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 1.49 1.84 0.33 -0.02 0.00 0.14 -4.47 105.19 104.49 1rwt n GLY 146 Ca 0.00 -0.63 0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 0.12 -0.36 1.61 0.11 -2.00 0.23 132.00 131.71 1rwt h PRO 147 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1rwt h PRO 147 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1rwt h PRO 147 CO 0.00 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.15 1rwt n LEU 148 N -5.20 2.20 0.00 2.35 4.77 -1.26 -5.02 117.00 114.84 1rwt n LEU 148 Ca 0.34 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1rwt n LEU 148 Cb 1.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1rwt n LEU 148 CO 0.04 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1rwt n GLY 149 N 1.19 3.01 3.96 -0.72 0.00 0.79 -4.40 105.19 109.02 1rwt n GLY 149 Ca 0.15 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.93 3.45 -0.59 1.61 2.56 -1.26 0.25 118.70 122.79 1rwt s GLU 150 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 54.97 54.09 1rwt s GLU 150 Cb 0.00 -2.84 0.07 0.00 2.00 0.00 0.00 34.13 33.35 1rwt s GLU 150 CO 0.00 0.37 0.84 0.08 -0.56 0.00 0.00 175.26 176.00 1rwt s VAL 151 N -2.04 4.54 -0.06 3.70 1.01 -1.26 -4.83 120.40 121.46 1rwt s VAL 151 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1rwt s VAL 151 Cb -0.09 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 1rwt s VAL 151 CO 0.30 -1.18 -0.12 0.52 0.00 0.00 0.00 175.10 174.62 1rwt n VAL 152 N 5.85 0.54 -3.56 2.92 0.31 -1.26 -4.84 118.33 118.30 1rwt n VAL 152 Ca -0.04 0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 64.25 1rwt n VAL 152 Cb 0.45 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.46 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 -4.64 5.83 0.30 4.52 -1.08 -1.26 -4.98 116.67 115.34 1rwt s ASP 153 Ca -0.10 -1.05 0.03 0.00 -0.52 0.00 0.00 52.55 50.91 1rwt s ASP 153 Cb 0.01 -2.06 0.75 0.00 -1.46 0.00 0.00 42.92 40.17 1rwt s ASP 153 CO 0.15 -0.43 1.62 -0.65 0.52 0.00 0.00 175.17 176.38 1rwt h PRO 154 N 8.49 0.14 0.00 4.34 0.11 -1.94 -2.49 132.00 140.65 1rwt h PRO 154 Ca -0.26 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 1rwt h PRO 154 Cb 1.10 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1rwt h PRO 154 CO 0.70 0.09 -1.77 1.28 -0.21 0.00 0.00 178.00 178.10 1rwt n LEU 155 N -5.29 0.42 -3.42 2.35 4.77 -1.26 -4.66 117.00 109.91 1rwt n LEU 155 Ca 0.23 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1rwt n LEU 155 Cb 0.73 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 1rwt n LEU 155 CO 0.03 0.16 0.05 -1.22 -1.33 0.00 0.00 177.39 175.08 1rwt n TYR 156 N -2.66 3.42 0.12 -1.77 4.01 -0.95 -4.95 117.16 114.38 1rwt n TYR 156 Ca -0.13 -4.13 -0.15 0.00 -0.16 0.00 0.00 57.90 53.34 1rwt n TYR 156 Cb 0.81 -0.55 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 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 4.19 -0.64 0.00 -0.72 0.11 -1.81 -3.41 132.00 129.72 1rwt h PRO 157 Ca 0.19 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1rwt h PRO 157 Cb 0.68 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1rwt h PRO 157 CO 0.81 -0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1rwt n GLY 158 N -1.47 0.07 7.00 -0.55 0.00 -1.26 -4.85 105.19 104.13 1rwt n GLY 158 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 2.77 0.28 -0.02 0.00 -1.26 0.50 105.19 107.46 1rwt n GLY 159 Ca 0.00 0.32 0.16 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.49 1.61 0.02 -1.91 -2.48 113.55 110.29 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 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.25 1rwt n PHE 161 N -3.41 0.94 -2.71 3.45 3.01 0.18 -4.03 117.46 114.89 1rwt n PHE 161 Ca -0.02 -0.40 -0.06 0.00 1.01 0.00 0.00 57.45 57.99 1rwt n PHE 161 Cb 0.21 -0.12 0.07 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.87 0.19 -0.31 4.37 2.03 -0.94 -4.61 116.55 118.16 1rwt n ASP 162 Ca 0.18 -2.43 0.14 0.00 0.52 0.00 0.00 54.79 53.21 1rwt n ASP 162 Cb 0.59 0.05 0.33 0.00 -0.72 0.00 0.00 41.12 41.37 1rwt n ASP 162 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1rwt h PRO 163 N 2.37 0.37 0.00 -0.67 0.13 -1.69 0.46 132.00 132.97 1rwt h PRO 163 Ca -0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1rwt h PRO 163 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rwt h PRO 163 CO 0.19 0.25 0.00 1.28 -0.23 0.00 0.00 178.00 179.48 1rwt n LEU 164 N -5.06 0.00 -2.76 1.56 4.77 -1.26 -4.88 117.00 109.38 1rwt n LEU 164 Ca 0.23 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1rwt n LEU 164 Cb 0.69 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1rwt n LEU 164 CO 0.12 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.69 1rwt n GLY 165 N 0.56 -0.50 0.32 -0.72 0.00 0.16 -4.84 105.19 100.17 1rwt n GLY 165 Ca 0.05 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.35 0.27 -1.35 0.99 3.38 -1.90 -2.14 115.31 114.21 1rwt h LEU 166 Ca -0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1rwt h LEU 166 Cb 1.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1rwt h LEU 166 CO 0.39 0.18 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1rwt n ALA 167 N -2.52 2.49 -0.29 1.53 0.00 -1.26 -4.48 120.51 115.97 1rwt n ALA 167 Ca 0.05 -0.62 0.07 0.00 0.00 0.00 0.00 53.44 52.94 1rwt n ALA 167 Cb 0.24 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 18.88 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 2.56 0.49 -3.31 0.00 5.19 -1.77 -3.40 116.42 116.17 1rwt h ASP 168 Ca 0.00 0.10 -0.55 0.00 -0.62 0.00 0.00 57.03 55.95 1rwt h ASP 168 Cb 0.57 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 1rwt h ASP 168 CO 0.00 0.20 0.47 -0.62 -3.12 0.00 0.00 179.24 176.16 1rwt s ASP 169 N -5.40 7.25 0.26 6.45 2.15 -1.26 -4.95 116.67 121.16 1rwt s ASP 169 Ca -0.12 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.37 1rwt s ASP 169 Cb 0.22 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.81 1rwt s ASP 169 CO 0.78 -0.37 1.79 -0.65 -0.17 0.00 0.00 175.17 176.55 1rwt h PRO 170 N 7.01 0.72 -0.29 4.34 0.11 -1.98 0.06 132.00 141.96 1rwt h PRO 170 Ca -0.34 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1rwt h PRO 170 Cb 1.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1rwt h PRO 170 CO 0.82 0.47 -0.26 0.93 -0.21 0.00 0.00 178.00 179.75 1rwt h GLU 171 N 0.74 0.69 -0.69 1.05 5.08 -1.93 -2.45 114.58 117.06 1rwt h GLU 171 Ca 0.46 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1rwt h GLU 171 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1rwt h GLU 171 CO -0.32 0.96 0.27 0.00 -1.00 0.00 0.00 179.01 178.93 1rwt h ALA 172 N 0.71 0.90 -0.71 3.43 0.00 -1.83 -2.66 119.26 119.11 1rwt h ALA 172 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 172 Cb 0.82 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1rwt h ALA 172 CO 0.07 0.53 0.44 0.35 0.00 0.00 0.00 179.25 180.63 1rwt h PHE 173 N 0.99 0.81 -0.47 0.00 3.57 -0.92 0.11 116.94 121.03 1rwt h PHE 173 Ca 0.23 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1rwt h PHE 173 Cb 0.22 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1rwt h PHE 173 CO 0.02 0.45 0.11 0.00 -2.23 0.00 0.00 178.31 176.65 1rwt h ALA 174 N 1.32 1.32 0.03 2.41 0.00 -1.11 -1.72 119.26 121.51 1rwt h ALA 174 Ca 0.30 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1rwt h ALA 174 Cb 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rwt h ALA 174 CO -0.13 0.48 -0.75 1.49 0.00 0.00 0.00 179.25 180.34 1rwt h GLU 175 N 0.69 0.46 0.00 0.00 4.81 -1.05 -3.18 114.58 116.31 1rwt h GLU 175 Ca 0.16 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1rwt h GLU 175 Cb 0.26 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1rwt h GLU 175 CO -0.00 1.18 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.31 1rwt h LEU 176 N -0.02 0.00 -0.74 1.64 3.38 -0.69 -0.75 115.31 118.13 1rwt h LEU 176 Ca -0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1rwt h LEU 176 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1rwt h LEU 176 CO 0.15 0.08 -0.36 0.11 0.09 0.00 0.00 178.44 178.51 1rwt h LYS 177 N 0.00 0.56 -0.32 1.13 1.57 -1.33 -0.75 116.57 117.43 1rwt h LYS 177 Ca -0.00 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.37 1rwt h LYS 177 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1rwt h LYS 177 CO 0.01 0.83 -0.37 0.28 -0.57 0.00 0.00 179.45 179.64 1rwt h VAL 178 N 0.47 1.29 -0.58 0.50 2.07 -1.17 -2.51 116.25 116.32 1rwt h VAL 178 Ca 0.05 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 1rwt h VAL 178 Cb 0.84 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1rwt h VAL 178 CO 0.07 0.50 0.10 0.11 0.02 0.00 0.00 177.57 178.37 1rwt h LYS 179 N 0.58 0.93 -0.26 1.57 1.57 -1.08 -1.25 116.57 118.62 1rwt h LYS 179 Ca 0.04 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1rwt h LYS 179 Cb 0.96 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1rwt h LYS 179 CO 0.09 0.86 0.12 1.49 -0.57 0.00 0.00 179.45 181.44 1rwt h GLU 180 N 0.88 0.37 0.00 3.15 4.81 -1.03 -0.38 114.58 122.38 1rwt h GLU 180 Ca 0.18 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1rwt h GLU 180 Cb 0.38 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1rwt h GLU 180 CO 0.01 0.38 -0.44 0.97 -0.73 0.00 0.00 179.01 179.20 1rwt h ILE 181 N 0.28 1.11 0.12 2.32 2.10 -1.28 0.02 117.51 122.18 1rwt h ILE 181 Ca 0.09 -1.62 -0.25 0.00 1.08 0.00 0.00 64.86 64.16 1rwt h ILE 181 Cb 0.13 1.93 0.03 0.00 -1.09 0.00 0.00 36.82 37.81 1rwt h ILE 181 CO -0.01 0.43 -1.04 0.11 -1.08 0.00 0.00 178.15 176.55 1rwt h LYS 182 N 0.00 0.49 -0.25 2.19 1.57 -1.01 -0.92 116.57 118.65 1rwt h LYS 182 Ca -0.00 -0.69 -0.09 0.00 -1.87 0.00 0.00 60.65 57.99 1rwt h LYS 182 Cb 0.89 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1rwt h LYS 182 CO 0.06 1.30 -0.23 -0.91 -0.57 0.00 0.00 179.45 179.10 1rwt h ASN 183 N 0.01 0.47 -0.17 0.86 2.35 -1.02 -2.16 115.58 115.92 1rwt h ASN 183 Ca -0.17 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 1rwt h ASN 183 Cb 1.77 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1rwt h ASN 183 CO 0.20 0.70 -0.15 1.23 -1.65 0.00 0.00 177.43 177.75 1rwt h GLY 184 N 1.00 0.45 1.30 2.83 0.00 -0.98 -1.33 103.07 106.33 1rwt h GLY 184 Ca 0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1rwt h GLY 184 CO 0.05 0.41 0.18 3.21 0.00 0.00 0.00 176.54 180.38 1rwt h ARG 185 N 0.06 0.89 -0.64 4.80 3.08 -1.11 0.16 114.38 121.63 1rwt h ARG 185 Ca 0.03 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1rwt h ARG 185 Cb 0.68 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1rwt h ARG 185 CO 0.04 0.77 0.12 1.25 -1.07 0.00 0.00 179.97 181.09 1rwt h LEU 186 N 0.86 1.00 -0.58 3.04 5.85 -1.34 -0.66 115.31 123.48 1rwt h LEU 186 Ca 0.19 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1rwt h LEU 186 Cb 0.26 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1rwt h LEU 186 CO -0.01 0.99 0.04 0.00 -0.34 0.00 0.00 178.44 179.13 1rwt h ALA 187 N 1.04 0.78 -0.31 1.25 0.00 -0.23 0.06 119.26 121.84 1rwt h ALA 187 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1rwt h ALA 187 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rwt h ALA 187 CO 0.01 0.58 0.10 0.52 0.00 0.00 0.00 179.25 180.45 1rwt h MET 188 N 0.89 0.49 -0.46 0.00 2.86 -0.49 0.93 114.93 119.14 1rwt h MET 188 Ca 0.17 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1rwt h MET 188 Cb 0.49 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1rwt h MET 188 CO 0.02 0.54 0.20 0.35 1.06 0.00 0.00 176.91 179.08 1rwt h PHE 189 N 0.35 0.36 -0.39 -0.22 3.57 -0.98 -1.57 116.94 118.06 1rwt h PHE 189 Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1rwt h PHE 189 Cb 0.25 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1rwt h PHE 189 CO 0.01 0.16 -0.23 0.77 -2.23 0.00 0.00 178.31 176.78 1rwt h SER 190 N 0.40 0.79 0.10 0.41 0.02 -0.65 -2.60 113.55 112.02 1rwt h SER 190 Ca 0.21 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1rwt h SER 190 Cb 0.17 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1rwt h SER 190 CO -0.18 0.99 -0.26 0.24 -1.14 0.00 0.00 176.83 176.48 1rwt h MET 191 N 0.68 0.27 -0.89 3.45 2.86 -0.38 0.30 114.93 121.22 1rwt h MET 191 Ca 0.09 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rwt h MET 191 Cb 0.74 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 1rwt h MET 191 CO 0.06 0.52 0.54 0.35 1.06 0.00 0.00 176.91 179.44 1rwt h PHE 192 N 0.24 1.18 -0.24 -0.22 3.57 -1.06 -0.98 116.94 119.44 1rwt h PHE 192 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1rwt h PHE 192 Cb 0.60 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1rwt h PHE 192 CO 0.01 0.78 0.16 0.78 -2.23 0.00 0.00 178.31 177.81 1rwt h GLY 193 N 1.23 0.33 0.87 2.40 0.00 -0.66 -1.34 103.07 105.90 1rwt h GLY 193 Ca 0.32 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1rwt h GLY 193 CO -0.06 0.12 0.62 0.74 0.00 0.00 0.00 176.54 177.97 1rwt h PHE 194 N 0.32 1.17 0.43 5.60 0.05 -0.35 0.21 116.94 124.36 1rwt h PHE 194 Ca 0.09 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.89 1rwt h PHE 194 Cb -0.03 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.53 1rwt h PHE 194 CO -0.06 0.67 -0.20 0.74 -0.18 0.00 0.00 178.31 179.28 1rwt h PHE 195 N 1.21 -0.53 -0.53 -0.55 0.04 -0.79 -0.48 116.94 115.31 1rwt h PHE 195 Ca 0.38 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.11 1rwt h PHE 195 Cb 0.01 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1rwt h PHE 195 CO -0.01 -0.24 0.24 0.28 -0.60 0.00 0.00 178.31 177.98 1rwt h VAL 196 N -0.76 1.21 -0.65 -0.55 2.07 -1.10 -2.18 116.25 114.29 1rwt h VAL 196 Ca -0.06 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1rwt h VAL 196 Cb 0.53 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1rwt h VAL 196 CO 0.10 0.24 0.30 1.56 0.02 0.00 0.00 177.57 179.78 1rwt h GLN 197 N 0.71 0.93 -0.43 1.57 4.20 -0.59 0.78 115.11 122.28 1rwt h GLN 197 Ca 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1rwt h GLN 197 Cb 0.15 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1rwt h GLN 197 CO -0.02 0.73 0.18 0.00 -0.67 0.00 0.00 178.83 179.04 1rwt h ALA 198 N 1.41 0.56 -0.38 3.87 0.00 -0.74 0.16 119.26 124.13 1rwt h ALA 198 Ca 0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1rwt h ALA 198 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rwt h ALA 198 CO -0.03 0.15 -0.27 0.82 0.00 0.00 0.00 179.25 179.93 1rwt h ILE 199 N 0.55 1.27 0.20 0.00 2.04 -0.86 -2.10 117.51 118.62 1rwt h ILE 199 Ca 0.14 -1.41 -0.33 0.00 1.00 0.00 0.00 64.86 64.27 1rwt h ILE 199 Cb 0.18 1.27 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1rwt h ILE 199 CO -0.01 0.47 -1.55 0.58 0.00 0.00 0.00 178.15 177.63 1rwt h VAL 200 N 0.69 1.18 0.00 1.67 2.07 -0.70 -3.40 116.25 117.76 1rwt h VAL 200 Ca 0.08 -2.70 -0.18 0.00 0.82 0.00 0.00 66.70 64.73 1rwt h VAL 200 Cb 0.80 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.44 1rwt h VAL 200 CO 0.07 0.84 -1.87 0.35 0.02 0.00 0.00 177.57 176.98 1rwt n THR 201 N -3.61 0.89 -0.94 2.57 -2.24 0.54 -4.98 114.28 106.50 1rwt n THR 201 Ca -0.18 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1rwt n THR 201 Cb 1.08 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.46 0.43 3.43 3.38 0.00 -0.79 -4.99 105.19 108.10 1rwt n GLY 202 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.59 1.56 0.65 1.61 1.02 -1.26 -5.10 119.74 117.62 1rwt s LYS 203 Ca 0.00 -1.77 -0.16 0.00 0.02 0.00 0.00 55.97 54.06 1rwt s LYS 203 Cb 0.00 -1.26 -0.00 0.00 -0.52 0.00 0.00 37.83 36.05 1rwt s LYS 203 CO 0.00 0.09 1.13 0.20 -0.92 0.00 0.00 175.35 175.85 1rwt s GLY 204 N -3.45 2.27 0.23 -3.33 0.00 -1.26 -4.62 107.32 97.17 1rwt s GLY 204 Ca 0.29 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.59 1rwt s GLY 204 CO 0.12 1.01 1.69 -2.55 0.00 0.00 0.00 173.10 173.37 1rwt h PRO 205 N 0.18 0.25 -0.15 2.90 0.11 -1.96 -1.10 132.00 132.23 1rwt h PRO 205 Ca -0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1rwt h PRO 205 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1rwt h PRO 205 CO 0.54 0.16 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.91 1rwt h LEU 206 N 0.25 0.46 -1.06 2.35 3.38 -1.95 -2.72 115.31 116.03 1rwt h LEU 206 Ca 0.38 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1rwt h LEU 206 Cb 0.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1rwt h LEU 206 CO -0.48 0.90 -0.06 -0.08 0.09 0.00 0.00 178.44 178.81 1rwt h GLU 207 N 0.33 0.61 -0.49 1.13 4.81 -1.66 -1.42 114.58 117.89 1rwt h GLU 207 Ca 0.01 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1rwt h GLU 207 Cb 1.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1rwt h GLU 207 CO 0.09 0.67 0.26 -0.91 -0.73 0.00 0.00 179.01 178.39 1rwt h ASN 208 N 0.57 0.39 -0.35 1.04 -0.26 -0.96 -0.07 115.58 115.94 1rwt h ASN 208 Ca 0.11 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1rwt h ASN 208 Cb 0.45 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1rwt h ASN 208 CO 0.02 0.28 0.12 0.25 -1.06 0.00 0.00 177.43 177.04 1rwt h LEU 209 N 0.52 0.51 -0.56 1.61 5.85 -1.12 -0.14 115.31 121.98 1rwt h LEU 209 Ca 0.21 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1rwt h LEU 209 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1rwt h LEU 209 CO -0.13 0.56 0.36 0.00 -0.34 0.00 0.00 178.44 178.89 1rwt h ALA 210 N 0.96 0.71 -0.21 1.25 0.00 -0.93 -0.29 119.26 120.75 1rwt h ALA 210 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1rwt h ALA 210 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rwt h ALA 210 CO -0.01 0.11 0.09 -0.44 0.00 0.00 0.00 179.25 179.00 1rwt h ASP 211 N 0.72 0.28 -0.21 0.00 3.32 -0.79 -1.77 116.42 117.97 1rwt h ASP 211 Ca 0.21 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1rwt h ASP 211 Cb -0.04 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1rwt h ASP 211 CO -0.07 0.34 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.03 1rwt h HIS 212 N 0.19 -0.06 0.00 4.55 2.76 -0.67 -1.27 115.15 120.66 1rwt h HIS 212 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1rwt h HIS 212 Cb 0.15 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1rwt h HIS 212 CO -0.02 -0.06 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.43 1rwt h LEU 213 N 0.03 0.00 -0.99 0.26 3.38 -0.91 0.12 115.31 117.20 1rwt h LEU 213 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1rwt h LEU 213 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1rwt h LEU 213 CO -0.19 0.05 -0.11 0.00 0.09 0.00 0.00 178.44 178.28 1rwt h ALA 214 N 1.95 0.99 -0.23 1.53 0.00 -0.31 -3.40 119.26 119.78 1rwt h ALA 214 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rwt h ALA 214 Cb 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.81 1rwt h ALA 214 CO 0.01 0.14 -0.15 -3.47 0.00 0.00 0.00 179.25 175.78 1rwt n ASP 215 N -3.21 -1.58 -0.22 0.00 -0.08 -0.65 -5.06 116.55 105.74 1rwt n ASP 215 Ca 0.01 -1.08 0.01 0.00 -1.51 0.00 0.00 54.79 52.22 1rwt n ASP 215 Cb 0.41 0.80 0.09 0.00 2.34 0.00 0.00 41.12 44.77 1rwt n ASP 215 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rwt h PRO 216 N 4.22 0.04 -0.27 -0.67 0.11 -1.04 0.77 132.00 135.16 1rwt h PRO 216 Ca -0.00 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 1rwt h PRO 216 Cb 1.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1rwt h PRO 216 CO -0.11 0.03 -0.30 0.28 -0.21 0.00 0.00 178.00 177.69 1rwt h VAL 217 N 0.04 1.28 0.03 3.15 2.07 -1.98 -3.29 116.25 117.55 1rwt h VAL 217 Ca 0.34 -1.39 -0.32 0.00 0.82 0.00 0.00 66.70 66.14 1rwt h VAL 217 Cb 0.54 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1rwt h VAL 217 CO -0.64 0.44 -1.89 0.59 0.02 0.00 0.00 177.57 176.10 1rwt n ASN 218 N -4.08 1.09 -4.32 0.57 3.02 -0.91 -4.65 115.26 105.97 1rwt n ASN 218 Ca -0.01 0.30 -0.44 0.00 -0.03 0.00 0.00 54.58 54.40 1rwt n ASN 218 Cb 0.45 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 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 -6.24 7.21 0.34 6.41 0.01 0.26 -4.66 114.94 118.28 1rwt s ASN 219 Ca -0.10 -3.59 -0.02 0.00 -0.71 0.00 0.00 52.86 48.44 1rwt s ASN 219 Cb 0.07 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.56 1rwt s ASN 219 CO 0.80 -0.28 0.48 -0.46 -1.51 0.00 0.00 177.10 176.13 1rwt n ASN 220 N 2.70 -1.33 -0.08 -1.22 0.23 -1.26 -4.17 115.26 110.13 1rwt n ASN 220 Ca 0.23 -2.85 0.19 0.00 -0.53 0.00 0.00 54.58 51.63 1rwt n ASN 220 Cb 0.39 2.48 0.63 0.00 -2.08 0.00 0.00 39.78 41.20 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 2.02 2.40 0.00 -2.53 0.00 -1.94 -0.68 119.26 118.52 1rwt h ALA 221 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rwt h ALA 221 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rwt h ALA 221 CO 0.36 -0.58 0.00 0.91 0.00 0.00 0.00 179.25 179.94 1rwt n TRP 222 N -4.40 0.45 0.30 0.00 7.02 -1.26 -0.79 117.44 118.76 1rwt n TRP 222 Ca 0.12 0.22 0.16 0.00 -1.02 0.00 0.00 57.50 56.99 1rwt n TRP 222 Cb 0.62 -0.86 0.65 0.00 -2.42 0.00 0.00 31.31 29.30 1rwt n TRP 222 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1rwt h ASN 223 N 0.00 0.00 -0.04 -0.99 -0.00 -1.38 -3.01 115.58 110.16 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 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 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 -2.94 0.07 0.21 0.67 3.01 0.03 -4.76 117.46 113.74 1rwt n PHE 224 Ca 0.01 -0.66 0.14 0.00 1.01 0.00 0.00 57.45 57.95 1rwt n PHE 224 Cb 0.29 -0.09 0.72 0.00 -0.01 0.00 0.00 39.48 40.40 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 0.22 1.00 -0.09 4.37 0.00 -1.51 -2.19 119.26 121.06 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rwt h ALA 225 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1rwt n THR 226 N -2.43 1.10 0.70 0.00 -2.24 -1.26 -4.69 114.28 105.45 1rwt n THR 226 Ca -0.02 -1.11 0.11 0.00 -2.27 0.00 0.00 64.05 60.76 1rwt n THR 226 Cb 0.05 0.43 0.46 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.33 0.13 -1.79 3.42 4.13 -0.83 -3.63 115.26 116.36 1rwt n ASN 227 Ca 0.04 0.52 -0.08 0.00 1.68 0.00 0.00 54.58 56.75 1rwt n ASN 227 Cb 0.34 -0.55 0.07 0.00 -1.54 0.00 0.00 39.78 38.10 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 -1.63 1.39 -2.63 3.10 3.01 -1.26 -5.07 117.46 114.37 1rwt n PHE 228 Ca 0.05 -1.80 -0.41 0.00 1.01 0.00 0.00 57.45 56.30 1rwt n PHE 228 Cb 0.26 -0.27 -0.04 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 -3.49 4.23 0.31 -4.37 1.01 -1.24 -5.01 120.40 111.85 1rwt s VAL 229 Ca 0.40 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.96 1rwt s VAL 229 Cb 0.38 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 1rwt s VAL 229 CO -0.03 0.29 1.36 -2.84 0.00 0.00 0.00 175.10 173.89 1rwt s PRO 230 N -0.11 4.30 0.00 2.72 0.02 -1.26 -5.19 135.00 135.48 1rwt s PRO 230 Ca 0.48 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1rwt s PRO 230 Cb -0.26 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1rwt s PRO 230 CO 0.32 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.10