#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfd s VAL 2 N 0.00 4.92 0.03 6.31 1.01 -1.26 -3.83 120.40 127.57 1rfd s VAL 2 Ca 0.00 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 1rfd s VAL 2 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1rfd s VAL 2 CO 0.00 0.08 0.03 0.42 0.00 0.00 0.00 175.10 175.63 1rfd s THR 3 N 1.84 0.13 -0.03 3.92 -4.23 0.12 -4.99 115.64 112.40 1rfd s THR 3 Ca 0.38 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1rfd s THR 3 Cb -0.17 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 73.00 1rfd s THR 3 CO 0.14 -0.60 -0.01 -0.76 -0.54 0.00 0.00 174.62 172.85 1rfd s LEU 4 N -1.90 1.17 -0.15 4.79 1.43 -1.26 -1.64 118.68 121.12 1rfd s LEU 4 Ca -0.09 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1rfd s LEU 4 Cb -0.04 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 45.94 1rfd s LEU 4 CO -0.03 -0.09 -0.00 -1.58 0.23 0.00 0.00 176.35 174.87 1rfd s GLN 5 N 1.04 0.92 0.37 1.70 0.74 -0.42 -4.13 119.66 119.88 1rfd s GLN 5 Ca -0.09 -0.31 -0.09 0.00 0.05 0.00 0.00 55.36 54.91 1rfd s GLN 5 Cb -0.14 -1.77 -0.06 0.00 1.10 0.00 0.00 33.01 32.14 1rfd s GLN 5 CO -0.01 -0.48 0.72 -1.21 -0.55 0.00 0.00 175.29 173.76 1rfd s GLU 6 N 1.81 3.75 0.22 1.67 8.01 -1.26 -1.28 118.70 131.62 1rfd s GLU 6 Ca 0.01 0.36 -0.20 0.00 0.01 0.00 0.00 54.97 55.15 1rfd s GLU 6 Cb -0.15 -2.45 0.04 0.00 -4.31 0.00 0.00 34.13 27.25 1rfd s GLU 6 CO -0.07 0.03 0.63 -1.54 0.01 0.00 0.00 175.26 174.32 1rfd s SER 7 N -3.13 -0.35 0.00 -0.19 1.04 -0.40 -4.88 113.70 105.80 1rfd s SER 7 Ca 0.50 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1rfd s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1rfd s SER 7 CO 0.31 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1rfd n GLY 8 N -0.40 0.58 0.00 7.32 0.00 -1.26 -1.06 105.19 110.36 1rfd n GLY 8 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rfd n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfd n GLY 9 N -2.00 -0.88 0.00 -0.02 0.00 -1.26 -4.64 105.19 96.38 1rfd n GLY 9 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1rfd n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfd n GLY 10 N 5.00 0.41 3.73 -0.02 0.00 0.42 -4.98 105.19 109.75 1rfd n GLY 10 Ca 0.00 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 1rfd n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rfd s LEU 11 N 0.00 4.43 -0.03 0.99 2.96 -1.26 -1.20 118.68 124.57 1rfd s LEU 11 Ca 0.00 2.03 -0.04 0.00 -0.22 0.00 0.00 54.13 55.90 1rfd s LEU 11 Cb 0.00 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.11 1rfd s LEU 11 CO 0.00 -0.34 0.10 0.54 -1.32 0.00 0.00 176.35 175.33 1rfd s VAL 12 N 0.42 0.03 0.20 1.68 0.11 -0.06 -4.92 120.40 117.85 1rfd s VAL 12 Ca 0.54 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 1rfd s VAL 12 Cb -0.29 -0.22 -0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1rfd s VAL 12 CO 0.32 -0.12 1.36 -1.58 -3.33 0.00 0.00 175.10 171.76 1rfd s GLN 13 N -0.35 4.34 0.33 1.54 2.00 -1.26 -0.65 119.66 125.61 1rfd s GLN 13 Ca -0.04 2.14 -0.29 0.00 -2.00 0.00 0.00 55.36 55.17 1rfd s GLN 13 Cb -0.03 -3.17 -0.12 0.00 0.80 0.00 0.00 33.01 30.49 1rfd s GLN 13 CO 0.00 -0.33 1.39 -2.30 -0.50 0.00 0.00 175.29 173.55 1rfd n PRO 14 N 2.73 2.31 -0.28 1.67 -0.02 -1.26 0.61 135.00 140.76 1rfd n PRO 14 Ca 0.07 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1rfd n PRO 14 Cb 0.42 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1rfd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rfd n GLY 15 N 1.11 2.27 0.00 -1.23 0.00 0.17 -4.89 105.19 102.61 1rfd n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1rfd n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfd n GLY 16 N -2.00 -0.30 3.07 -0.02 0.00 0.20 -4.03 105.19 102.12 1rfd n GLY 16 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 1rfd n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rfd s SER 17 N -1.00 0.74 -0.23 1.61 1.04 -1.26 -2.17 113.70 112.44 1rfd s SER 17 Ca 0.00 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 55.55 1rfd s SER 17 Cb 0.00 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.26 1rfd s SER 17 CO 0.00 -0.31 0.60 -0.32 0.98 0.00 0.00 173.24 174.19 1rfd s MET 18 N -2.20 0.70 -0.17 4.02 0.00 -0.11 -4.94 119.30 116.61 1rfd s MET 18 Ca -0.06 0.84 -0.00 0.00 0.00 0.00 0.00 55.69 56.47 1rfd s MET 18 Cb -0.05 0.34 0.00 0.00 0.00 0.00 0.00 34.83 35.12 1rfd s MET 18 CO -0.02 -0.08 -0.15 0.21 0.00 0.00 0.00 175.02 174.98 1rfd s LYS 19 N 0.32 3.19 0.10 4.11 2.20 -1.26 -0.34 119.74 128.05 1rfd s LYS 19 Ca -0.00 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 1rfd s LYS 19 Cb -0.04 -2.66 -0.06 0.00 -1.51 0.00 0.00 37.83 33.57 1rfd s LYS 19 CO 0.01 -0.05 0.37 -0.51 -0.36 0.00 0.00 175.35 174.81 1rfd s LEU 20 N 0.98 4.32 0.23 5.43 1.43 0.56 -4.63 118.68 127.01 1rfd s LEU 20 Ca -0.02 0.68 0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1rfd s LEU 20 Cb -0.15 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1rfd s LEU 20 CO -0.03 0.13 -0.20 -0.44 0.23 0.00 0.00 176.35 176.04 1rfd s SER 21 N -2.02 3.28 -0.20 2.29 0.01 -0.22 -0.51 113.70 116.33 1rfd s SER 21 Ca 0.36 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1rfd s SER 21 Cb -0.13 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 65.95 1rfd s SER 21 CO 0.20 0.02 0.28 0.00 0.41 0.00 0.00 173.24 174.16 1rfd s ALA 23 N 2.42 3.60 0.18 0.00 0.00 -0.41 -1.54 121.76 126.02 1rfd s ALA 23 Ca 0.07 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1rfd s ALA 23 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1rfd s ALA 23 CO -0.12 0.01 0.05 0.00 0.00 0.00 0.00 175.76 175.70 1rfd s ALA 24 N 0.65 3.33 -0.07 0.00 0.00 0.44 -1.31 121.76 124.79 1rfd s ALA 24 Ca 0.14 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1rfd s ALA 24 Cb -0.13 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 21.99 1rfd s ALA 24 CO 0.03 0.47 0.91 -1.54 0.00 0.00 0.00 175.76 175.64 1rfd s SER 25 N -3.07 -0.39 0.00 0.00 1.04 -0.65 -4.83 113.70 105.80 1rfd s SER 25 Ca 0.29 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1rfd s SER 25 Cb -0.09 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1rfd s SER 25 CO 0.20 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1rfd n GLY 26 N 0.26 0.65 3.61 7.32 0.00 -1.25 -0.70 105.19 115.08 1rfd n GLY 26 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1rfd n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rfd s PHE 27 N -2.13 -0.10 -1.08 1.61 -0.12 -1.26 -4.17 117.98 110.73 1rfd s PHE 27 Ca 0.00 -0.26 -0.22 0.00 -0.05 0.00 0.00 56.93 56.39 1rfd s PHE 27 Cb 0.00 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1rfd s PHE 27 CO 0.00 -1.01 1.74 0.99 -0.05 0.00 0.00 175.22 176.89 1rfd s THR 28 N -3.90 3.76 0.32 -4.49 2.01 -1.26 -4.80 115.64 107.29 1rfd s THR 28 Ca 0.11 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.24 1rfd s THR 28 Cb -0.02 -4.71 0.31 0.00 0.01 0.00 0.00 72.50 68.09 1rfd s THR 28 CO 0.01 -1.51 1.85 0.15 -0.69 0.00 0.00 174.62 174.42 1rfd h PHE 29 N 9.73 0.97 0.00 4.92 3.57 -1.97 -1.05 116.94 133.11 1rfd h PHE 29 Ca 0.23 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1rfd h PHE 29 Cb 0.97 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1rfd h PHE 29 CO 1.28 0.35 -0.02 0.66 -2.23 0.00 0.00 178.31 178.36 1rfd h SER 30 N 0.81 0.00 -0.15 0.41 4.64 -1.94 -1.75 113.55 115.58 1rfd h SER 30 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1rfd h SER 30 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1rfd h SER 30 CO -0.24 0.02 0.00 -0.67 -0.87 0.00 0.00 176.83 175.06 1rfd n ASP 31 N -3.13 2.87 -4.52 4.97 -0.08 -0.41 -4.58 116.55 111.66 1rfd n ASP 31 Ca -0.00 -1.92 -0.30 0.00 -1.51 0.00 0.00 54.79 51.06 1rfd n ASP 31 Cb 0.25 -0.08 -0.11 0.00 2.34 0.00 0.00 41.12 43.52 1rfd n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rfd s ALA 32 N -1.83 2.78 0.29 -1.67 0.00 -0.66 -2.49 121.76 118.17 1rfd s ALA 32 Ca 0.33 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1rfd s ALA 32 Cb 0.21 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1rfd s ALA 32 CO 0.31 0.61 0.58 -1.58 0.00 0.00 0.00 175.76 175.67 1rfd s TRP 33 N -1.13 3.47 -0.03 0.00 0.52 -0.62 -4.09 118.94 117.05 1rfd s TRP 33 Ca 0.19 0.74 0.05 0.00 0.02 0.00 0.00 56.10 57.09 1rfd s TRP 33 Cb -0.11 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1rfd s TRP 33 CO 0.11 0.16 -0.17 0.08 0.02 0.00 0.00 176.95 177.15 1rfd s VAL 34 N -2.06 1.38 0.20 4.03 1.01 -0.36 -0.41 120.40 124.18 1rfd s VAL 34 Ca 0.45 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1rfd s VAL 34 Cb -0.11 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1rfd s VAL 34 CO 0.28 0.40 -0.17 -1.81 0.00 0.00 0.00 175.10 173.80 1rfd s ASP 35 N -0.11 2.78 -0.11 3.32 1.01 0.32 -1.40 116.67 122.49 1rfd s ASP 35 Ca -0.00 -0.96 0.02 0.00 0.71 0.00 0.00 52.55 52.32 1rfd s ASP 35 Cb -0.10 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.65 1rfd s ASP 35 CO 0.01 -0.08 -0.16 0.26 0.21 0.00 0.00 175.17 175.41 1rfd s TRP 36 N -2.52 2.73 -0.03 4.23 0.52 -0.23 -0.73 118.94 122.90 1rfd s TRP 36 Ca 0.21 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1rfd s TRP 36 Cb -0.03 -1.77 0.00 0.00 -1.15 0.00 0.00 33.47 30.52 1rfd s TRP 36 CO 0.08 -0.17 -0.12 0.08 0.02 0.00 0.00 176.95 176.84 1rfd s VAL 37 N 0.11 1.03 0.34 4.03 1.01 -0.29 -0.27 120.40 126.35 1rfd s VAL 37 Ca -0.07 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1rfd s VAL 37 Cb -0.15 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1rfd s VAL 37 CO 0.05 0.31 -0.06 0.00 0.00 0.00 0.00 175.10 175.40 1rfd s ARG 38 N 0.17 1.91 -0.05 2.72 1.70 0.16 -0.52 118.95 125.05 1rfd s ARG 38 Ca -0.04 -1.85 0.01 0.00 -0.47 0.00 0.00 55.73 53.38 1rfd s ARG 38 Cb -0.10 -1.80 0.02 0.00 -0.57 0.00 0.00 34.95 32.51 1rfd s ARG 38 CO 0.01 0.15 -0.05 -1.14 -1.08 0.00 0.00 175.30 173.20 1rfd s GLN 39 N -3.64 0.88 0.07 3.89 0.74 0.58 -0.21 119.66 121.98 1rfd s GLN 39 Ca 0.33 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1rfd s GLN 39 Cb 0.01 -0.89 -0.04 0.00 1.10 0.00 0.00 33.01 33.19 1rfd s GLN 39 CO 0.17 -0.09 -0.06 -1.54 -0.55 0.00 0.00 175.29 173.23 1rfd s SER 40 N 0.96 0.93 0.30 6.67 1.04 -1.01 -1.41 113.70 121.19 1rfd s SER 40 Ca -0.10 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 1rfd s SER 40 Cb -0.14 0.10 0.44 0.00 0.10 0.00 0.00 66.02 66.52 1rfd s SER 40 CO -0.00 -0.42 1.92 -0.65 0.98 0.00 0.00 173.24 175.07 1rfd h PRO 41 N 3.42 0.98 -0.48 4.02 0.11 -1.92 -0.14 132.00 137.99 1rfd h PRO 41 Ca -0.35 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1rfd h PRO 41 Cb 1.17 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1rfd h PRO 41 CO 0.58 0.72 -0.21 0.78 -0.21 0.00 0.00 178.00 179.66 1rfd h GLY 42 N 1.03 1.07 -0.06 -0.55 0.00 -1.98 -3.37 103.07 99.21 1rfd h GLY 42 Ca 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1rfd h GLY 42 CO -0.04 0.87 -0.36 0.28 0.00 0.00 0.00 176.54 177.28 1rfd n LYS 43 N -4.13 3.90 0.00 4.80 5.02 -1.16 -5.11 118.16 121.49 1rfd n LYS 43 Ca -0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1rfd n LYS 43 Cb 0.46 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1rfd n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rfd n GLY 44 N 1.14 0.47 3.72 0.72 0.00 -0.08 -4.67 105.19 106.49 1rfd n GLY 44 Ca 0.02 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1rfd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfd s LEU 45 N 0.00 4.41 -0.08 0.99 1.43 -1.26 -2.40 118.68 121.77 1rfd s LEU 45 Ca 0.00 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1rfd s LEU 45 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1rfd s LEU 45 CO 0.00 -0.21 -0.02 -0.70 0.23 0.00 0.00 176.35 175.65 1rfd s GLU 46 N 0.71 0.89 0.29 1.70 2.12 0.71 -4.97 118.70 120.15 1rfd s GLU 46 Ca 0.51 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.53 1rfd s GLU 46 Cb -0.22 -1.15 -0.10 0.00 0.26 0.00 0.00 34.13 32.92 1rfd s GLU 46 CO 0.29 -0.28 1.37 -0.46 -0.54 0.00 0.00 175.26 175.64 1rfd s TRP 47 N 1.83 3.01 -0.12 5.30 -0.00 -1.26 -0.66 118.94 127.04 1rfd s TRP 47 Ca 0.04 1.23 -0.05 0.00 -0.00 0.00 0.00 56.10 57.32 1rfd s TRP 47 Cb -0.12 -3.76 -0.06 0.00 -0.00 0.00 0.00 33.47 29.53 1rfd s TRP 47 CO -0.06 -2.28 -0.15 0.28 -0.00 0.00 0.00 176.95 174.75 1rfd n VAL 48 N 1.52 0.67 -3.60 5.86 0.31 0.63 -4.70 118.33 119.02 1rfd n VAL 48 Ca 0.03 -0.19 -0.07 0.00 -0.01 0.00 0.00 64.34 64.11 1rfd n VAL 48 Cb 0.41 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 1rfd n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rfd s ALA 49 N -2.23 -1.74 -0.01 3.52 0.00 -1.14 -1.98 121.76 118.19 1rfd s ALA 49 Ca -0.17 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1rfd s ALA 49 Cb 0.06 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 1rfd s ALA 49 CO 0.23 -0.84 0.08 -2.00 0.00 0.00 0.00 175.76 173.23 1rfd s GLU 50 N -3.22 0.29 -0.05 0.00 2.12 -0.57 -1.07 118.70 116.19 1rfd s GLU 50 Ca 0.08 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.20 1rfd s GLU 50 Cb -0.01 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.51 1rfd s GLU 50 CO -0.04 -0.06 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.04 1rfd s ILE 51 N -0.80 0.75 0.79 -3.70 2.07 -0.49 -1.73 121.20 118.08 1rfd s ILE 51 Ca -0.09 -0.27 -0.06 0.00 -1.41 0.00 0.00 60.65 58.82 1rfd s ILE 51 Cb -0.05 -0.72 0.14 0.00 0.13 0.00 0.00 42.46 41.96 1rfd s ILE 51 CO 0.00 0.26 1.09 -0.13 -1.91 0.00 0.00 174.94 174.26 1rfd s ARG 52 N 0.69 1.40 0.83 3.50 0.52 -0.22 -1.23 118.95 124.44 1rfd s ARG 52 Ca -0.11 -0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 54.16 1rfd s ARG 52 Cb -0.14 -2.17 0.14 0.00 0.52 0.00 0.00 34.95 33.30 1rfd s ARG 52 CO 0.01 -1.72 1.16 0.54 0.02 0.00 0.00 175.30 175.31 1rfd s ASN 52 N -4.77 3.95 0.17 0.23 2.20 -1.26 -4.05 114.94 111.41 1rfd s ASN 52 Ca 0.68 0.22 -0.14 0.00 -0.94 0.00 0.00 52.86 52.68 1rfd s ASN 52 Cb -0.05 -0.53 0.12 0.00 -2.00 0.00 0.00 41.25 38.78 1rfd s ASN 52 CO 0.47 -2.18 1.77 0.50 -2.94 0.00 0.00 177.10 174.72 1rfd h LYS 52 N -1.08 0.41 -0.50 3.55 3.64 -1.93 0.61 116.57 121.27 1rfd h LYS 52 Ca -0.43 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1rfd h LYS 52 Cb 1.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1rfd h LYS 52 CO 0.47 0.27 0.37 0.00 -2.27 0.00 0.00 179.45 178.29 1rfd h ALA 52 N 1.26 2.44 -0.83 5.00 0.00 -1.94 0.34 119.26 125.54 1rfd h ALA 52 Ca 0.21 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.62 1rfd h ALA 52 Cb 0.14 0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.70 1rfd h ALA 52 CO -0.16 -0.63 0.43 0.09 0.00 0.00 0.00 179.25 178.97 1rfd n ASN 53 N -4.31 4.54 -1.57 0.00 3.02 -0.27 -4.93 115.26 111.75 1rfd n ASN 53 Ca 0.09 -3.71 -0.20 0.00 -0.03 0.00 0.00 54.58 50.73 1rfd n ASN 53 Cb 0.59 -0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1rfd n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rfd n ASN 54 N -1.05 -5.40 -2.70 6.41 4.05 0.12 -2.99 115.26 113.70 1rfd n ASN 54 Ca 0.53 0.45 -0.15 0.00 0.45 0.00 0.00 54.58 55.86 1rfd n ASN 54 Cb 1.21 -4.61 -0.00 0.00 1.23 0.00 0.00 39.78 37.61 1rfd n ASN 54 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1rfd n HIS 55 N -2.56 -1.54 -1.88 1.20 8.25 0.04 -4.88 115.22 113.84 1rfd n HIS 55 Ca -0.20 0.14 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 1rfd n HIS 55 Cb 0.65 -2.88 0.03 0.00 1.12 0.00 0.00 29.99 28.90 1rfd n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rfd s ALA 56 N -2.72 2.90 0.05 -1.41 0.00 -1.16 -4.42 121.76 115.02 1rfd s ALA 56 Ca 0.11 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1rfd s ALA 56 Cb -0.06 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1rfd s ALA 56 CO 0.14 -1.20 -0.18 0.95 0.00 0.00 0.00 175.76 175.47 1rfd s THR 57 N -1.34 2.84 0.01 0.00 -4.23 -1.26 -1.06 115.64 110.60 1rfd s THR 57 Ca 0.68 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1rfd s THR 57 Cb -0.38 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1rfd s THR 57 CO 0.46 0.29 -0.05 -0.54 -0.54 0.00 0.00 174.62 174.24 1rfd s LYS 58 N -1.58 0.40 0.06 3.99 -0.14 -0.70 -5.00 119.74 116.77 1rfd s LYS 58 Ca 0.15 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.42 1rfd s LYS 58 Cb -0.11 -0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 35.73 1rfd s LYS 58 CO 0.06 0.07 -0.09 0.71 -0.76 0.00 0.00 175.35 175.34 1rfd s TYR 59 N -0.60 0.87 0.40 3.18 2.02 -1.26 -1.52 117.35 120.44 1rfd s TYR 59 Ca -0.03 -0.58 -0.23 0.00 -0.37 0.00 0.00 57.07 55.86 1rfd s TYR 59 Cb -0.05 -0.50 -0.10 0.00 -0.40 0.00 0.00 41.96 40.91 1rfd s TYR 59 CO -0.00 -0.05 0.98 -0.08 -1.57 0.00 0.00 175.55 174.83 1rfd s THR 60 N -1.85 4.11 0.21 -0.71 -1.32 -0.84 -4.87 115.64 110.36 1rfd s THR 60 Ca -0.03 1.50 -0.17 0.00 -1.21 0.00 0.00 61.69 61.78 1rfd s THR 60 Cb -0.07 -3.72 0.21 0.00 -1.51 0.00 0.00 72.50 67.41 1rfd s THR 60 CO -0.00 -0.10 1.58 -0.08 -2.21 0.00 0.00 174.62 173.82 1rfd h GLU 61 N 2.38 -0.08 0.00 7.08 4.57 -1.95 -2.06 114.58 124.52 1rfd h GLU 61 Ca -0.48 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1rfd h GLU 61 Cb 1.20 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1rfd h GLU 61 CO 0.62 -0.05 0.04 -1.13 -1.18 0.00 0.00 179.01 177.31 1rfd n SER 62 N -5.47 0.55 -0.06 1.04 3.41 -1.26 -2.09 113.62 109.75 1rfd n SER 62 Ca 0.07 0.75 0.02 0.00 -0.26 0.00 0.00 58.87 59.45 1rfd n SER 62 Cb 0.38 -0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1rfd n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1rfd n VAL 63 N -2.26 0.00 -1.67 -3.33 0.24 -0.80 -4.96 118.33 105.55 1rfd n VAL 63 Ca -0.01 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.34 61.38 1rfd n VAL 63 Cb 0.07 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1rfd n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rfd n LYS 64 N -0.57 2.13 0.00 7.34 5.02 -0.89 -0.95 118.16 130.24 1rfd n LYS 64 Ca 0.01 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1rfd n LYS 64 Cb 0.06 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 1rfd n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rfd n GLY 65 N 2.89 2.97 0.09 0.72 0.00 -1.26 -4.77 105.19 105.82 1rfd n GLY 65 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1rfd n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfd n ARG 66 N -2.00 0.72 -4.02 1.61 1.74 -0.12 -5.01 116.66 109.58 1rfd n ARG 66 Ca 0.00 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 1rfd n ARG 66 Cb 0.00 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 1rfd n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rfd s PHE 67 N -2.36 3.27 -0.09 -1.55 0.40 -0.57 -1.86 117.98 115.23 1rfd s PHE 67 Ca -0.20 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1rfd s PHE 67 Cb 0.06 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.98 1rfd s PHE 67 CO 0.45 0.54 0.00 0.99 0.70 0.00 0.00 175.22 177.90 1rfd s THR 68 N -1.47 0.45 -0.01 0.64 2.01 0.45 -4.87 115.64 112.85 1rfd s THR 68 Ca 0.31 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 1rfd s THR 68 Cb -0.12 -0.65 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 1rfd s THR 68 CO 0.24 0.19 0.38 -0.51 -0.69 0.00 0.00 174.62 174.23 1rfd s ILE 69 N 1.93 5.08 0.25 1.82 2.07 -1.26 -0.87 121.20 130.23 1rfd s ILE 69 Ca 0.04 0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 60.00 1rfd s ILE 69 Cb -0.13 -3.68 -0.02 0.00 0.13 0.00 0.00 42.46 38.76 1rfd s ILE 69 CO -0.06 0.57 0.31 -0.94 -1.91 0.00 0.00 174.94 172.91 1rfd s SER 70 N -1.11 0.39 0.03 4.50 1.04 -0.77 -4.97 113.70 112.81 1rfd s SER 70 Ca 0.23 -1.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.20 1rfd s SER 70 Cb -0.16 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1rfd s SER 70 CO 0.13 -1.04 0.31 0.00 0.98 0.00 0.00 173.24 173.62 1rfd s ARG 71 N -3.84 0.78 -0.37 4.02 1.70 -1.26 -0.80 118.95 119.19 1rfd s ARG 71 Ca 0.33 -0.43 0.02 0.00 -0.47 0.00 0.00 55.73 55.18 1rfd s ARG 71 Cb 0.03 0.34 0.11 0.00 -0.57 0.00 0.00 34.95 34.86 1rfd s ARG 71 CO 0.14 -0.24 0.13 0.34 -1.08 0.00 0.00 175.30 174.59 1rfd s ASP 72 N -1.90 4.21 0.52 -2.89 -1.08 0.10 -4.98 116.67 110.66 1rfd s ASP 72 Ca -0.07 -2.15 0.17 0.00 -0.52 0.00 0.00 52.55 49.98 1rfd s ASP 72 Cb -0.02 -1.22 1.30 0.00 -1.46 0.00 0.00 42.92 41.52 1rfd s ASP 72 CO -0.02 -0.35 2.14 0.44 0.52 0.00 0.00 175.17 177.90 1rfd h ASP 73 N 7.49 0.00 1.05 -0.34 3.32 -1.97 -0.82 116.42 125.16 1rfd h ASP 73 Ca -0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1rfd h ASP 73 Cb 0.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1rfd h ASP 73 CO 0.51 0.00 -0.12 0.77 -1.72 0.00 0.00 179.24 178.68 1rfd h SER 74 N 0.00 0.00 -0.41 6.45 4.64 -1.95 -2.62 113.55 119.66 1rfd h SER 74 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rfd h SER 74 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1rfd h SER 74 CO -0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1rfd n LYS 75 N -3.25 2.77 -4.14 4.77 5.02 -0.43 -4.98 118.16 117.93 1rfd n LYS 75 Ca 0.01 -2.14 -0.29 0.00 -2.02 0.00 0.00 58.31 53.86 1rfd n LYS 75 Cb 0.39 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1rfd n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rfd n SER 76 N 0.75 0.03 -4.13 4.39 7.64 -0.51 -4.66 113.62 117.13 1rfd n SER 76 Ca 0.14 -1.13 -0.12 0.00 1.01 0.00 0.00 58.87 58.77 1rfd n SER 76 Cb 0.46 -2.39 -0.11 0.00 -1.01 0.00 0.00 64.21 61.17 1rfd n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rfd s SER 77 N -4.29 1.07 0.08 6.43 0.01 -0.99 -0.42 113.70 115.58 1rfd s SER 77 Ca 0.06 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.58 1rfd s SER 77 Cb -0.04 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 1rfd s SER 77 CO 0.94 -0.33 -0.14 0.68 0.41 0.00 0.00 173.24 174.80 1rfd s VAL 78 N -2.53 1.11 0.12 3.43 -7.23 -0.59 -0.72 120.40 114.00 1rfd s VAL 78 Ca 0.02 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 1rfd s VAL 78 Cb -0.02 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1rfd s VAL 78 CO -0.02 -0.26 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.06 1rfd s TYR 79 N -1.40 1.41 -0.24 2.82 2.02 0.02 -1.08 117.35 120.90 1rfd s TYR 79 Ca -0.01 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1rfd s TYR 79 Cb -0.09 -0.73 0.07 0.00 -0.40 0.00 0.00 41.96 40.81 1rfd s TYR 79 CO 0.02 0.15 0.03 -1.17 -1.57 0.00 0.00 175.55 173.01 1rfd s LEU 80 N -2.49 1.96 -0.36 -1.29 2.96 0.33 -1.85 118.68 117.93 1rfd s LEU 80 Ca 0.09 -1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 52.59 1rfd s LEU 80 Cb -0.05 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1rfd s LEU 80 CO 0.03 -0.32 0.67 -1.58 -1.32 0.00 0.00 176.35 173.82 1rfd s GLN 81 N 1.64 3.67 -0.15 1.98 2.00 -0.05 -0.32 119.66 128.43 1rfd s GLN 81 Ca 0.01 0.08 -0.04 0.00 -2.00 0.00 0.00 55.36 53.42 1rfd s GLN 81 Cb -0.18 -3.82 -0.03 0.00 0.80 0.00 0.00 33.01 29.79 1rfd s GLN 81 CO -0.13 -0.78 -0.04 -1.64 -0.50 0.00 0.00 175.29 172.21 1rfd s MET 82 N 2.80 3.63 0.30 1.67 -1.94 0.53 -0.41 119.30 125.87 1rfd s MET 82 Ca 0.26 -0.52 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1rfd s MET 82 Cb -0.14 -2.90 -0.06 0.00 2.01 0.00 0.00 34.83 33.74 1rfd s MET 82 CO 0.15 0.27 -0.02 -0.80 -0.01 0.00 0.00 175.02 174.62 1rfd s ASN 82 N 0.28 2.66 -1.52 3.03 -0.87 -0.77 -0.93 114.94 116.82 1rfd s ASN 82 Ca -0.03 -1.25 -0.07 0.00 -1.57 0.00 0.00 52.86 49.93 1rfd s ASN 82 Cb -0.14 -0.15 0.06 0.00 -0.02 0.00 0.00 41.25 41.00 1rfd s ASN 82 CO 0.03 -0.43 0.58 -1.20 -2.57 0.00 0.00 177.10 173.51 1rfd n SER 82 N -0.62 -1.64 -4.73 -1.22 7.64 -0.92 -4.72 113.62 107.40 1rfd n SER 82 Ca -0.05 -0.99 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 1rfd n SER 82 Cb 0.64 -3.00 -0.02 0.00 -1.01 0.00 0.00 64.21 60.82 1rfd n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rfd n LEU 82 N -4.42 4.17 -4.67 -3.43 4.77 -1.12 -4.58 117.00 107.73 1rfd n LEU 82 Ca -0.16 1.13 -0.25 0.00 -0.03 0.00 0.00 56.01 56.70 1rfd n LEU 82 Cb 0.61 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 1rfd n LEU 82 CO 0.79 0.09 -0.25 -0.13 -1.33 0.00 0.00 177.39 176.56 1rfd s ARG 83 N -0.26 2.09 0.44 3.23 0.52 -1.26 0.42 118.95 124.14 1rfd s ARG 83 Ca 0.66 -1.88 0.10 0.00 -0.52 0.00 0.00 55.73 54.09 1rfd s ARG 83 Cb -0.52 -1.87 0.96 0.00 0.52 0.00 0.00 34.95 34.05 1rfd s ARG 83 CO 0.46 -0.00 2.07 0.00 0.02 0.00 0.00 175.30 177.85 1rfd h ALA 84 N 1.66 1.77 0.00 2.13 0.00 -1.95 -0.67 119.26 122.20 1rfd h ALA 84 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rfd h ALA 84 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rfd h ALA 84 CO 0.72 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.32 1rfd n GLU 85 N -4.47 0.11 0.00 0.00 0.28 -1.26 -2.04 120.64 113.25 1rfd n GLU 85 Ca 0.01 0.22 0.13 0.00 -0.16 0.00 0.00 57.16 57.36 1rfd n GLU 85 Cb 0.09 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 31.76 1rfd n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1rfd n ASP 86 N -1.37 1.80 -4.76 -1.84 8.00 -0.26 -4.91 116.55 113.22 1rfd n ASP 86 Ca 0.05 -1.46 -0.41 0.00 0.71 0.00 0.00 54.79 53.68 1rfd n ASP 86 Cb 0.11 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1rfd n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rfd s THR 87 N -2.21 2.81 -5.00 -3.53 2.01 -0.87 -4.88 115.64 103.97 1rfd s THR 87 Ca 0.29 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1rfd s THR 87 Cb 0.20 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1rfd s THR 87 CO 0.41 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1rfd n GLY 88 N 1.39 -2.25 3.70 4.40 0.00 -0.37 -4.74 105.19 107.31 1rfd n GLY 88 Ca 0.03 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1rfd n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rfd s ILE 89 N -2.14 5.18 -0.19 -0.61 -1.09 -0.50 -0.62 121.20 121.22 1rfd s ILE 89 Ca 0.00 0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1rfd s ILE 89 Cb 0.00 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1rfd s ILE 89 CO 0.00 0.27 0.03 -0.31 -1.23 0.00 0.00 174.94 173.71 1rfd s TYR 90 N 1.02 3.13 -0.07 3.97 1.51 0.34 -0.31 117.35 126.95 1rfd s TYR 90 Ca 0.23 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1rfd s TYR 90 Cb -0.15 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1rfd s TYR 90 CO 0.09 -0.06 -0.19 0.71 -1.11 0.00 0.00 175.55 175.00 1rfd s TYR 91 N 0.74 2.61 -0.01 2.71 2.02 0.32 -0.93 117.35 124.80 1rfd s TYR 91 Ca 0.02 -0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1rfd s TYR 91 Cb -0.14 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1rfd s TYR 91 CO 0.02 -0.05 0.21 0.00 -1.57 0.00 0.00 175.55 174.16 1rfd s THR 93 N -1.29 0.03 0.07 0.00 -1.32 0.09 -1.31 115.64 111.91 1rfd s THR 93 Ca 0.26 -0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 1rfd s THR 93 Cb -0.13 -0.15 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 1rfd s THR 93 CO 0.16 -0.14 -0.00 -0.94 -2.21 0.00 0.00 174.62 171.49 1rfd s SER 94 N -0.42 5.03 -0.55 8.08 1.04 -0.41 -0.52 113.70 125.96 1rfd s SER 94 Ca -0.05 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1rfd s SER 94 Cb -0.03 -1.22 0.14 0.00 0.10 0.00 0.00 66.02 65.01 1rfd s SER 94 CO -0.00 0.20 0.30 -0.69 0.98 0.00 0.00 173.24 174.03 1rfd s VAL 95 N -1.25 2.80 0.55 5.02 1.01 0.46 -1.95 120.40 127.03 1rfd s VAL 95 Ca 0.24 -3.31 -0.22 0.00 0.00 0.00 0.00 61.98 58.70 1rfd s VAL 95 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1rfd s VAL 95 CO 0.16 -0.82 1.37 -2.84 0.00 0.00 0.00 175.10 172.97 1rfd s PRO 96 N -0.31 3.12 0.00 2.72 0.02 -1.26 -1.59 135.00 137.70 1rfd s PRO 96 Ca 0.17 2.25 0.27 0.00 0.02 0.00 0.00 61.00 63.72 1rfd s PRO 96 Cb -0.24 -2.25 1.25 0.00 0.02 0.00 0.00 34.50 33.28 1rfd s PRO 96 CO -0.01 -1.21 1.89 1.04 -0.33 0.00 0.00 177.00 178.38 1rfd n GLN 97 N -1.05 0.19 -1.05 5.54 1.13 -1.04 -3.33 117.38 117.77 1rfd n GLN 97 Ca 0.10 0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 55.04 1rfd n GLN 97 Cb 0.45 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 29.15 1rfd n GLN 97 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1rfd n LEU 98 N -1.40 5.72 -0.56 1.08 4.77 -1.26 -4.85 117.00 120.51 1rfd n LEU 98 Ca 0.10 -3.35 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1rfd n LEU 98 Cb 0.27 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 1rfd n LEU 98 CO 0.23 1.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.65 1rfd n GLY 99 N 2.60 0.00 0.05 -0.72 0.00 -1.21 -4.99 105.19 100.92 1rfd n GLY 99 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1rfd n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfd n ARG 100 N 1.64 0.00 0.00 1.61 1.74 -1.26 -5.06 116.66 115.33 1rfd n ARG 100 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1rfd n ARG 100 Cb 0.00 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 1rfd n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rfd n GLY 100 N 0.00 0.68 3.57 -0.13 0.00 -1.26 -3.88 105.19 104.17 1rfd n GLY 100 Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1rfd n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rfd s PHE 100 N 0.00 2.56 0.10 1.61 0.08 -1.26 -4.35 117.98 116.72 1rfd s PHE 100 Ca 0.00 -0.99 -0.14 0.00 0.12 0.00 0.00 56.93 55.92 1rfd s PHE 100 Cb 0.00 -4.66 -0.11 0.00 -0.57 0.00 0.00 43.02 37.68 1rfd s PHE 100 CO 0.00 -1.86 1.37 0.00 -0.10 0.00 0.00 175.22 174.63 1rfd h ALA 101 N 9.12 0.40 -4.16 5.36 0.00 -1.50 -3.46 119.26 125.02 1rfd h ALA 101 Ca 0.28 -0.49 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 1rfd h ALA 101 Cb 0.96 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.38 1rfd h ALA 101 CO 1.42 0.56 -0.83 0.71 0.00 0.00 0.00 179.25 181.11 1rfd s TYR 102 N -4.10 1.56 0.07 0.00 2.02 -1.23 -5.00 117.35 110.67 1rfd s TYR 102 Ca -0.12 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1rfd s TYR 102 Cb 0.09 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1rfd s TYR 102 CO 0.86 -0.07 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.99 1rfd s TRP 103 N -0.24 1.73 0.66 2.71 0.52 -1.26 -1.29 118.94 121.77 1rfd s TRP 103 Ca 0.03 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 55.65 1rfd s TRP 103 Cb -0.08 -0.99 0.15 0.00 -1.15 0.00 0.00 33.47 31.40 1rfd s TRP 103 CO 0.00 0.14 0.90 0.41 0.02 0.00 0.00 176.95 178.42 1rfd n GLY 104 N 1.47 -1.18 0.04 0.98 0.00 -0.43 -4.64 105.19 101.43 1rfd n GLY 104 Ca -0.19 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.24 1rfd n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfd n GLN 105 N -2.89 0.19 0.00 1.61 0.00 -1.26 -4.86 117.38 110.17 1rfd n GLN 105 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.03 1rfd n GLN 105 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1rfd n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rfd n GLY 106 N 1.45 -0.81 3.03 2.61 0.00 -1.26 -5.04 105.19 105.16 1rfd n GLY 106 Ca 0.08 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1rfd n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rfd s THR 107 N -2.93 1.07 -0.15 2.61 -1.32 -0.11 -4.88 115.64 109.93 1rfd s THR 107 Ca 0.00 -0.47 -0.26 0.00 -1.21 0.00 0.00 61.69 59.75 1rfd s THR 107 Cb 0.00 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1rfd s THR 107 CO 0.00 0.33 0.85 -0.22 -2.21 0.00 0.00 174.62 173.37 1rfd s LEU 108 N 0.49 4.20 -0.22 9.08 2.96 -1.26 -0.51 118.68 133.42 1rfd s LEU 108 Ca -0.10 1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.98 1rfd s LEU 108 Cb -0.14 -3.27 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1rfd s LEU 108 CO 0.03 -0.38 0.00 -0.69 -1.32 0.00 0.00 176.35 173.99 1rfd s VAL 109 N 2.02 3.87 -0.27 1.68 1.01 0.21 -0.44 120.40 128.48 1rfd s VAL 109 Ca 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1rfd s VAL 109 Cb -0.17 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1rfd s VAL 109 CO 0.14 0.41 -0.05 -0.89 0.00 0.00 0.00 175.10 174.70 1rfd s THR 110 N 1.26 2.73 -0.39 3.92 2.01 -0.34 -1.24 115.64 123.59 1rfd s THR 110 Ca 0.04 -1.31 -0.21 0.00 0.31 0.00 0.00 61.69 60.51 1rfd s THR 110 Cb -0.15 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1rfd s THR 110 CO 0.01 0.03 0.69 -0.69 -0.69 0.00 0.00 174.62 173.98 1rfd s VAL 111 N 1.24 4.80 -0.16 3.82 1.01 -1.26 -0.89 120.40 128.97 1rfd s VAL 111 Ca -0.04 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1rfd s VAL 111 Cb -0.19 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.14 1rfd s VAL 111 CO -0.04 -0.46 0.94 -0.55 0.00 0.00 0.00 175.10 175.00 1rfd s SER 112 N 1.90 -0.44 0.00 3.32 0.15 0.18 -4.78 113.70 114.03 1rfd s SER 112 Ca 0.26 0.55 0.28 0.00 0.70 0.00 0.00 55.95 57.75 1rfd s SER 112 Cb -0.14 0.46 1.09 0.00 -1.71 0.00 0.00 66.02 65.72 1rfd s SER 112 CO 0.17 -0.35 1.77 0.00 1.20 0.00 0.00 173.24 176.03 1rfd n ALA 113 N 1.03 2.60 -1.00 5.45 0.00 -1.26 -3.98 120.51 123.35 1rfd n ALA 113 Ca -0.12 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1rfd n ALA 113 Cb 0.57 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.96 1rfd n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfd s ALA 114 N -2.02 1.88 0.26 0.00 0.00 -1.26 -5.02 121.76 115.59 1rfd s ALA 114 Ca 0.38 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1rfd s ALA 114 Cb 0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1rfd s ALA 114 CO 0.35 -2.24 0.43 -1.54 0.00 0.00 0.00 175.76 172.76 1rfd s SER 115 N -2.92 6.34 0.10 0.00 1.04 -1.26 -5.04 113.70 111.95 1rfd s SER 115 Ca 0.65 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 57.10 1rfd s SER 115 Cb -0.21 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 1rfd s SER 115 CO 0.56 -0.13 1.32 -0.89 0.98 0.00 0.00 173.24 175.08 1rfd s THR 116 N -2.03 3.55 -0.03 2.02 2.01 -1.26 -4.71 115.64 115.19 1rfd s THR 116 Ca 0.38 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.50 1rfd s THR 116 Cb -0.10 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1rfd s THR 116 CO 0.31 0.09 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.44 1rfd s THR 117 N 1.09 0.18 0.65 -0.82 2.01 0.59 -4.95 115.64 114.39 1rfd s THR 117 Ca 0.63 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 1rfd s THR 117 Cb -0.34 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1rfd s THR 117 CO 0.30 0.13 1.06 -2.16 -0.69 0.00 0.00 174.62 173.26 1rfd s PRO 118 N 0.89 3.12 0.60 4.92 0.04 -1.26 -1.23 135.00 142.08 1rfd s PRO 118 Ca -0.09 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 1rfd s PRO 118 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1rfd s PRO 118 CO -0.02 -0.96 0.95 -1.25 0.04 0.00 0.00 177.00 175.77 1rfd s PRO 119 N -4.63 3.19 -0.11 0.56 0.04 -1.26 -4.31 135.00 128.47 1rfd s PRO 119 Ca 0.60 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.94 1rfd s PRO 119 Cb -0.15 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1rfd s PRO 119 CO 0.47 -0.64 -0.02 -1.12 0.04 0.00 0.00 177.00 175.73 1rfd s SER 120 N -4.25 5.04 -0.19 6.66 0.01 -0.13 -4.92 113.70 115.93 1rfd s SER 120 Ca 0.54 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 1rfd s SER 120 Cb -0.11 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1rfd s SER 120 CO 0.49 0.29 -0.10 -0.69 0.41 0.00 0.00 173.24 173.64 1rfd s VAL 121 N -0.37 3.05 -0.09 3.43 1.01 -1.26 -1.16 120.40 125.02 1rfd s VAL 121 Ca 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1rfd s VAL 121 Cb -0.12 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1rfd s VAL 121 CO 0.02 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.05 1rfd s TYR 122 N 1.11 2.45 0.41 5.22 2.02 -0.09 -4.97 117.35 123.49 1rfd s TYR 122 Ca 0.01 -0.94 -0.23 0.00 -0.37 0.00 0.00 57.07 55.54 1rfd s TYR 122 Cb -0.14 -1.64 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 1rfd s TYR 122 CO -0.02 -0.36 1.00 -1.25 -1.57 0.00 0.00 175.55 173.35 1rfd s PRO 123 N 0.23 4.19 -0.30 -1.71 0.04 -1.26 -0.56 135.00 135.63 1rfd s PRO 123 Ca -0.15 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.28 1rfd s PRO 123 Cb -0.17 -2.42 0.08 0.00 0.04 0.00 0.00 34.50 32.03 1rfd s PRO 123 CO 0.07 -0.09 -0.03 -0.51 0.04 0.00 0.00 177.00 176.49 1rfd s LEU 124 N -2.82 4.04 0.01 -3.56 1.43 0.96 -4.87 118.68 113.86 1rfd s LEU 124 Ca 0.59 -1.77 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1rfd s LEU 124 Cb -0.17 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1rfd s LEU 124 CO 0.22 -0.29 -0.07 0.00 0.23 0.00 0.00 176.35 176.43 1rfd s ALA 125 N 1.02 2.99 0.74 4.21 0.00 -1.26 -1.14 121.76 128.31 1rfd s ALA 125 Ca 0.01 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1rfd s ALA 125 Cb -0.19 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1rfd s ALA 125 CO -0.07 0.61 0.84 -2.30 0.00 0.00 0.00 175.76 174.85 1rfd n PRO 126 N 1.54 0.40 0.02 0.00 -0.02 -1.26 -4.83 135.00 130.84 1rfd n PRO 126 Ca -0.15 0.19 -0.20 0.00 -2.02 0.00 0.00 63.50 61.32 1rfd n PRO 126 Cb 0.52 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 1rfd n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1rfd h GLY 127 N -0.38 0.30 -1.52 -1.23 0.00 -1.98 -3.37 103.07 94.88 1rfd h GLY 127 Ca -0.47 -0.76 -0.53 0.00 0.00 0.00 0.00 47.33 45.57 1rfd h GLY 127 CO 0.45 0.67 -0.24 -1.35 0.00 0.00 0.00 176.54 176.07 1rfd s SER 128 N -6.97 4.89 0.37 0.19 1.04 -1.26 -4.91 113.70 107.04 1rfd s SER 128 Ca -0.17 -1.01 -0.27 0.00 0.48 0.00 0.00 55.95 54.98 1rfd s SER 128 Cb 0.07 0.21 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 1rfd s SER 128 CO 0.81 -1.12 1.31 -0.83 0.98 0.00 0.00 173.24 174.39 1rfd s GLY 129 N -4.40 2.96 -0.57 7.32 0.00 -1.26 -4.95 107.32 106.42 1rfd s GLY 129 Ca 0.46 1.25 -0.23 0.00 0.00 0.00 0.00 44.72 46.21 1rfd s GLY 129 CO 0.29 1.87 0.87 -0.32 0.00 0.00 0.00 173.10 175.81 1rfd s GLY 130 N -0.61 1.48 0.00 0.20 0.00 -1.26 -5.00 107.32 102.13 1rfd s GLY 130 Ca 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1rfd s GLY 130 CO 0.51 1.92 0.00 0.00 0.00 0.00 0.00 173.10 175.53 1rfd n ALA 131 N 7.22 0.00 0.06 3.20 0.00 -1.26 -4.86 120.51 124.86 1rfd n ALA 131 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rfd n ALA 131 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1rfd n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfd n GLY 135 N 0.00 -1.85 0.33 0.00 0.00 -1.26 -5.16 105.19 97.24 1rfd n GLY 135 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 1rfd n GLY 135 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rfd h SER 136 N 0.00 0.97 -2.20 1.61 0.87 -1.97 -3.41 113.55 109.41 1rfd h SER 136 Ca 0.00 -0.16 -0.59 0.00 -1.23 0.00 0.00 61.79 59.81 1rfd h SER 136 Cb 0.00 -0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 61.58 1rfd h SER 136 CO 0.00 0.88 -0.72 -0.04 -0.53 0.00 0.00 176.83 176.42 1rfd s MET 137 N -5.42 1.87 -0.00 2.24 1.00 -1.26 -0.65 119.30 117.07 1rfd s MET 137 Ca -0.11 -1.67 0.02 0.00 0.00 0.00 0.00 55.69 53.92 1rfd s MET 137 Cb 0.16 -1.88 -0.00 0.00 0.00 0.00 0.00 34.83 33.10 1rfd s MET 137 CO 0.82 0.33 -0.06 0.08 0.00 0.00 0.00 175.02 176.19 1rfd s VAL 138 N -2.46 0.48 -0.18 -6.03 1.01 0.14 -4.69 120.40 108.67 1rfd s VAL 138 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1rfd s VAL 138 Cb -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1rfd s VAL 138 CO 0.17 0.14 -0.04 -0.89 0.00 0.00 0.00 175.10 174.47 1rfd s THR 139 N -0.14 3.70 0.40 3.92 2.01 -1.26 -0.62 115.64 123.66 1rfd s THR 139 Ca 0.02 -0.41 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1rfd s THR 139 Cb -0.02 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 1rfd s THR 139 CO -0.00 0.46 0.09 -0.76 -0.69 0.00 0.00 174.62 173.72 1rfd s LEU 140 N 0.81 3.00 0.30 4.42 1.43 0.82 -4.54 118.68 124.91 1rfd s LEU 140 Ca -0.01 -1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 51.76 1rfd s LEU 140 Cb -0.15 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1rfd s LEU 140 CO 0.02 -0.47 0.59 -0.83 0.23 0.00 0.00 176.35 175.89 1rfd s GLY 141 N -3.80 0.55 -0.04 -3.19 0.00 -0.29 -0.97 107.32 99.57 1rfd s GLY 141 Ca 0.38 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1rfd s GLY 141 CO 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 173.10 172.79 1rfd s LEU 143 N 1.22 3.81 -0.46 0.00 2.96 0.27 -1.25 118.68 125.23 1rfd s LEU 143 Ca -0.07 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.14 1rfd s LEU 143 Cb -0.13 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.75 1rfd s LEU 143 CO -0.02 -0.17 0.33 -0.69 -1.32 0.00 0.00 176.35 174.48 1rfd s VAL 144 N 1.54 4.34 0.03 1.68 1.01 0.47 -0.92 120.40 128.55 1rfd s VAL 144 Ca 0.04 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.52 1rfd s VAL 144 Cb -0.17 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1rfd s VAL 144 CO 0.03 -0.67 -0.23 -0.75 0.00 0.00 0.00 175.10 173.48 1rfd s LYS 145 N 1.42 1.61 0.00 2.72 2.20 -0.30 -0.23 119.74 127.15 1rfd s LYS 145 Ca 0.04 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1rfd s LYS 145 Cb -0.25 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1rfd s LYS 145 CO 0.01 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 1rfd n GLY 146 N 1.94 0.45 3.72 5.54 0.00 -0.35 -0.95 105.19 115.54 1rfd n GLY 146 Ca -0.17 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1rfd n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rfd s TYR 147 N -2.00 2.77 -0.28 1.61 1.13 -0.99 -4.46 117.35 115.13 1rfd s TYR 147 Ca 0.00 -0.28 -0.23 0.00 -1.41 0.00 0.00 57.07 55.15 1rfd s TYR 147 Cb 0.00 -1.44 0.09 0.00 -1.10 0.00 0.00 41.96 39.51 1rfd s TYR 147 CO 0.00 0.47 0.82 0.12 -2.51 0.00 0.00 175.55 174.45 1rfd s PHE 148 N -2.34 -0.73 0.15 -3.49 5.36 -0.37 -0.76 117.98 115.81 1rfd s PHE 148 Ca 0.35 1.69 0.01 0.00 -0.96 0.00 0.00 56.93 58.01 1rfd s PHE 148 Cb -0.05 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1rfd s PHE 148 CO 0.22 -0.36 0.21 -0.35 -1.46 0.00 0.00 175.22 173.49 1rfd n PRO 149 N 2.91 0.58 -1.75 10.12 -0.04 -1.26 -0.30 135.00 145.26 1rfd n PRO 149 Ca -0.15 -0.63 -0.31 0.00 -0.04 0.00 0.00 63.50 62.37 1rfd n PRO 149 Cb 0.56 -0.12 0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1rfd n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rfd s GLU 150 N -2.88 3.21 0.52 0.54 0.41 -1.26 -4.79 118.70 114.45 1rfd s GLU 150 Ca 0.15 0.79 0.09 0.00 -0.41 0.00 0.00 54.97 55.58 1rfd s GLU 150 Cb -0.01 -2.03 0.06 0.00 -1.78 0.00 0.00 34.13 30.37 1rfd s GLU 150 CO 0.10 -0.86 0.68 -1.25 -0.49 0.00 0.00 175.26 173.43 1rfd s PRO 151 N -5.15 2.44 0.10 0.39 0.04 -1.26 -4.92 135.00 126.65 1rfd s PRO 151 Ca 0.57 -1.57 0.05 0.00 0.04 0.00 0.00 61.00 60.08 1rfd s PRO 151 Cb -0.12 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1rfd s PRO 151 CO 0.54 -0.66 -0.12 0.14 0.04 0.00 0.00 177.00 176.94 1rfd s VAL 152 N -2.59 1.10 -0.06 -0.36 -7.23 -1.26 -4.26 120.40 105.73 1rfd s VAL 152 Ca 0.57 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1rfd s VAL 152 Cb -0.06 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1rfd s VAL 152 CO 0.35 -0.46 -0.23 0.42 -0.31 0.00 0.00 175.10 174.87 1rfd s THR 153 N -2.15 2.21 -0.08 5.32 -4.23 0.01 -4.96 115.64 111.76 1rfd s THR 153 Ca 0.05 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1rfd s THR 153 Cb -0.05 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1rfd s THR 153 CO 0.01 0.57 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.77 1rfd s VAL 154 N -0.15 1.77 0.21 2.29 1.01 -1.26 -0.99 120.40 123.28 1rfd s VAL 154 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1rfd s VAL 154 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1rfd s VAL 154 CO 0.04 0.50 0.06 0.42 0.00 0.00 0.00 175.10 176.11 1rfd s THR 156 N 0.34 0.55 -0.10 3.92 -4.23 -0.43 -4.98 115.64 110.71 1rfd s THR 156 Ca -0.15 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1rfd s THR 156 Cb -0.16 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1rfd s THR 156 CO 0.07 -0.21 -0.19 0.26 -0.54 0.00 0.00 174.62 174.00 1rfd s TRP 157 N -3.76 2.15 -1.47 3.99 0.52 -1.26 0.07 118.94 119.18 1rfd s TRP 157 Ca 0.32 -0.93 -0.08 0.00 0.02 0.00 0.00 56.10 55.43 1rfd s TRP 157 Cb 0.07 -1.49 0.06 0.00 -1.15 0.00 0.00 33.47 30.96 1rfd s TRP 157 CO 0.09 -0.42 0.76 0.09 0.02 0.00 0.00 176.95 177.49 1rfd n ASN 162 N 3.84 -2.65 -2.40 2.95 4.13 0.52 -1.24 115.26 120.40 1rfd n ASN 162 Ca -0.20 -0.87 -0.14 0.00 1.68 0.00 0.00 54.58 55.05 1rfd n ASN 162 Cb 0.52 -3.59 -0.01 0.00 -1.54 0.00 0.00 39.78 35.16 1rfd n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1rfd n SER 163 N -2.90 -4.30 0.00 6.41 7.64 -1.26 -1.66 113.62 117.55 1rfd n SER 163 Ca -0.12 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1rfd n SER 163 Cb 0.60 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 1rfd n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rfd n GLY 164 N -0.83 1.84 0.23 0.23 0.00 -0.37 -4.95 105.19 101.33 1rfd n GLY 164 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1rfd n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rfd h ALA 165 N 0.00 1.51 -2.99 4.61 0.00 -1.21 -3.38 119.26 117.79 1rfd h ALA 165 Ca 0.00 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 1rfd h ALA 165 Cb 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 17.46 1rfd h ALA 165 CO 0.00 0.36 -0.59 -0.51 0.00 0.00 0.00 179.25 178.51 1rfd s LEU 166 N -8.65 4.21 0.00 0.00 1.43 -1.03 -4.88 118.68 109.75 1rfd s LEU 166 Ca -0.05 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1rfd s LEU 166 Cb 0.15 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1rfd s LEU 166 CO 0.73 -0.27 0.00 -1.54 0.23 0.00 0.00 176.35 175.49 1rfd n SER 167 N 4.89 0.13 0.20 2.29 3.41 -1.26 -4.16 113.62 119.12 1rfd n SER 167 Ca -0.13 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.53 1rfd n SER 167 Cb 0.47 0.02 0.42 0.00 -0.26 0.00 0.00 64.21 64.85 1rfd n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1rfd h SER 168 N 0.00 0.00 -0.58 4.04 4.64 -1.95 -2.93 113.55 116.77 1rfd h SER 168 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1rfd h SER 168 Cb 0.02 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.02 1rfd h SER 168 CO 0.00 0.33 0.15 0.61 -0.87 0.00 0.00 176.83 177.06 1rfd n GLY 169 N -0.24 3.87 3.88 -0.77 0.00 -1.26 -4.98 105.19 105.69 1rfd n GLY 169 Ca -0.01 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1rfd n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rfd s VAL 171 N -2.98 5.45 -0.23 1.61 1.01 -1.11 -1.55 120.40 122.60 1rfd s VAL 171 Ca 0.51 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1rfd s VAL 171 Cb 0.41 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 33.41 1rfd s VAL 171 CO 0.11 0.57 0.04 -1.00 0.00 0.00 0.00 175.10 174.82 1rfd s HIS 172 N -1.08 1.27 -0.30 5.22 3.76 -0.41 -5.00 115.29 118.75 1rfd s HIS 172 Ca 0.18 -1.13 -0.10 0.00 -0.15 0.00 0.00 55.06 53.86 1rfd s HIS 172 Cb -0.13 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1rfd s HIS 172 CO 0.07 -0.69 0.16 0.99 -0.85 0.00 0.00 174.74 174.42 1rfd s THR 173 N 1.77 4.75 0.39 1.30 2.01 -1.26 -0.39 115.64 124.22 1rfd s THR 173 Ca 0.01 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.58 1rfd s THR 173 Cb -0.17 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 1rfd s THR 173 CO -0.13 0.11 0.81 -0.36 -0.69 0.00 0.00 174.62 174.37 1rfd s PHE 174 N 1.65 3.41 0.49 4.92 0.40 -0.26 -5.00 117.98 123.58 1rfd s PHE 174 Ca 0.05 1.25 -0.23 0.00 -0.60 0.00 0.00 56.93 57.41 1rfd s PHE 174 Cb -0.17 -2.59 -0.07 0.00 0.51 0.00 0.00 43.02 40.70 1rfd s PHE 174 CO 0.07 -0.07 1.20 -2.30 0.70 0.00 0.00 175.22 174.82 1rfd n PRO 175 N -0.88 1.58 -2.33 0.24 -0.02 -1.26 -4.48 135.00 127.84 1rfd n PRO 175 Ca 0.04 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1rfd n PRO 175 Cb 0.54 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1rfd n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rfd s ALA 176 N -1.30 2.78 -0.14 3.55 0.00 -1.26 -4.75 121.76 120.63 1rfd s ALA 176 Ca 0.67 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1rfd s ALA 176 Cb -0.47 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1rfd s ALA 176 CO 0.53 -0.57 -0.14 0.08 0.00 0.00 0.00 175.76 175.66 1rfd s VAL 177 N -2.06 2.88 -0.20 0.00 1.01 0.44 -4.91 120.40 117.55 1rfd s VAL 177 Ca 0.68 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1rfd s VAL 177 Cb -0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1rfd s VAL 177 CO 0.26 0.51 0.58 -0.22 0.00 0.00 0.00 175.10 176.24 1rfd s LEU 178 N 0.62 4.15 0.00 3.92 2.96 -1.26 -0.57 118.68 128.49 1rfd s LEU 178 Ca -0.08 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1rfd s LEU 178 Cb -0.16 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.72 1rfd s LEU 178 CO 0.03 -0.23 0.00 1.67 -1.32 0.00 0.00 176.35 176.50 1rfd n GLN 179 N 4.92 0.00 -2.65 1.98 -0.06 0.14 -4.93 117.38 116.78 1rfd n GLN 179 Ca -0.03 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.54 1rfd n GLN 179 Cb 0.50 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.69 1rfd n GLN 179 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1rfd n SER 180 N 0.00 5.72 -0.16 1.69 3.41 -1.26 -4.44 113.62 118.57 1rfd n SER 180 Ca 0.00 -3.25 -0.02 0.00 -0.26 0.00 0.00 58.87 55.34 1rfd n SER 180 Cb 0.00 -1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 62.56 1rfd n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rfd n ASP 181 N 2.67 -4.10 -3.97 4.04 8.00 -1.26 -5.00 116.55 116.94 1rfd n ASP 181 Ca 0.33 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.75 1rfd n ASP 181 Cb 0.35 -1.79 -0.13 0.00 -0.02 0.00 0.00 41.12 39.53 1rfd n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rfd s LEU 184 N -0.49 2.10 0.13 0.64 1.43 -1.26 -4.81 118.68 116.42 1rfd s LEU 184 Ca 0.00 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1rfd s LEU 184 Cb 0.00 -0.14 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 1rfd s LEU 184 CO 0.00 -0.06 0.39 -0.31 0.23 0.00 0.00 176.35 176.59 1rfd s TYR 185 N -0.59 3.49 -0.04 0.29 2.02 0.06 0.24 117.35 122.82 1rfd s TYR 185 Ca -0.04 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 1rfd s TYR 185 Cb -0.05 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1rfd s TYR 185 CO -0.00 0.44 -0.02 0.99 -1.57 0.00 0.00 175.55 175.39 1rfd s THR 186 N -1.62 0.38 0.05 -0.71 2.01 0.27 -1.21 115.64 114.80 1rfd s THR 186 Ca 0.40 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.41 1rfd s THR 186 Cb -0.12 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1rfd s THR 186 CO 0.23 0.20 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.03 1rfd s LEU 187 N 1.05 2.26 0.07 4.42 0.20 0.68 -0.42 118.68 126.93 1rfd s LEU 187 Ca -0.09 -0.57 0.10 0.00 0.69 0.00 0.00 54.13 54.26 1rfd s LEU 187 Cb -0.14 -0.32 -0.03 0.00 -0.43 0.00 0.00 46.19 45.26 1rfd s LEU 187 CO -0.01 -0.14 -0.26 -0.44 -0.29 0.00 0.00 176.35 175.21 1rfd s SER 188 N -1.61 3.19 -0.02 3.68 0.01 -1.26 -0.40 113.70 117.30 1rfd s SER 188 Ca -0.06 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1rfd s SER 188 Cb -0.10 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1rfd s SER 188 CO 0.01 0.23 -0.02 -0.55 0.41 0.00 0.00 173.24 173.32 1rfd s SER 189 N -1.52 0.46 0.18 2.44 0.15 -0.38 -1.11 113.70 113.92 1rfd s SER 189 Ca 0.12 -0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.82 1rfd s SER 189 Cb -0.10 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1rfd s SER 189 CO 0.03 -0.03 -0.21 -0.94 1.20 0.00 0.00 173.24 173.29 1rfd s SER 190 N 0.54 3.01 -0.00 5.45 1.04 0.48 -0.32 113.70 123.89 1rfd s SER 190 Ca -0.06 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1rfd s SER 190 Cb -0.09 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1rfd s SER 190 CO -0.01 0.03 -0.02 0.54 0.98 0.00 0.00 173.24 174.77 1rfd s VAL 191 N -1.87 0.13 -0.16 5.02 0.11 -0.15 -1.28 120.40 122.20 1rfd s VAL 191 Ca 0.18 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1rfd s VAL 191 Cb -0.07 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1rfd s VAL 191 CO 0.08 0.04 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.80 1rfd s THR 192 N 0.01 2.02 0.22 5.04 2.01 -0.60 -0.12 115.64 124.22 1rfd s THR 192 Ca 0.00 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1rfd s THR 192 Cb -0.01 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1rfd s THR 192 CO -0.00 0.54 0.04 0.68 -0.69 0.00 0.00 174.62 175.18 1rfd s VAL 193 N 1.11 0.69 0.58 3.82 -7.23 0.21 -4.56 120.40 115.03 1rfd s VAL 193 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1rfd s VAL 193 Cb -0.14 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1rfd s VAL 193 CO -0.08 -0.26 1.30 -2.84 -0.31 0.00 0.00 175.10 172.90 1rfd s PRO 194 N -3.95 2.97 0.13 4.82 0.02 -1.26 0.24 135.00 137.96 1rfd s PRO 194 Ca 0.30 2.08 0.17 0.00 0.02 0.00 0.00 61.00 63.57 1rfd s PRO 194 Cb 0.07 -2.08 0.75 0.00 0.02 0.00 0.00 34.50 33.25 1rfd s PRO 194 CO 0.09 -1.27 1.53 -1.13 -0.33 0.00 0.00 177.00 175.89 1rfd n SER 195 N -1.36 0.31 -0.04 2.53 3.41 0.17 -0.72 113.62 117.93 1rfd n SER 195 Ca 0.12 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.46 1rfd n SER 195 Cb 0.47 -0.65 0.55 0.00 -0.26 0.00 0.00 64.21 64.32 1rfd n SER 195 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rfd n SER 196 N -1.86 0.25 -0.11 4.04 3.41 -1.26 -4.00 113.62 114.09 1rfd n SER 196 Ca 0.02 -0.06 -0.23 0.00 -0.26 0.00 0.00 58.87 58.35 1rfd n SER 196 Cb 0.17 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1rfd n SER 196 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1rfd n THR 198 N -1.31 1.52 -4.67 6.66 -1.04 0.10 -4.80 114.28 110.74 1rfd n THR 198 Ca 0.10 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.65 1rfd n THR 198 Cb 0.31 -2.02 -0.12 0.00 -1.82 0.00 0.00 70.33 66.67 1rfd n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1rfd s TRP 199 N -2.44 2.63 -2.00 -1.42 -0.00 -1.19 -0.10 118.94 114.41 1rfd s TRP 199 Ca -0.32 -0.21 0.28 0.00 -0.00 0.00 0.00 56.10 55.85 1rfd s TRP 199 Cb 0.09 -1.51 1.67 0.00 -0.00 0.00 0.00 33.47 33.72 1rfd s TRP 199 CO 0.51 0.26 2.04 -0.35 -0.00 0.00 0.00 176.95 179.41 1rfd n PRO 200 N 1.67 0.94 0.15 5.86 -0.04 -1.26 -4.63 135.00 137.69 1rfd n PRO 200 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1rfd n PRO 200 Cb 0.52 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1rfd n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1rfd h SER 202 N 0.00 -0.67 -3.18 3.54 0.02 -1.86 -3.42 113.55 107.98 1rfd h SER 202 Ca 0.00 0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 60.44 1rfd h SER 202 Cb 0.00 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1rfd h SER 202 CO 0.00 -0.35 -0.24 -1.10 -1.14 0.00 0.00 176.83 174.00 1rfd s GLN 203 N -6.07 3.73 0.17 3.45 -0.21 0.85 -5.05 119.66 116.52 1rfd s GLN 203 Ca -0.16 0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1rfd s GLN 203 Cb 0.07 -2.90 -0.08 0.00 1.00 0.00 0.00 33.01 31.10 1rfd s GLN 203 CO 0.65 0.49 1.27 0.99 -2.12 0.00 0.00 175.29 176.57 1rfd s THR 204 N -1.54 3.43 -0.12 -0.19 2.01 -1.26 -4.56 115.64 113.40 1rfd s THR 204 Ca 0.38 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.53 1rfd s THR 204 Cb -0.13 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1rfd s THR 204 CO 0.21 0.15 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 1rfd s VAL 205 N 0.32 1.50 -0.01 3.82 1.01 -1.26 -4.98 120.40 120.81 1rfd s VAL 205 Ca 0.57 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1rfd s VAL 205 Cb -0.34 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1rfd s VAL 205 CO 0.35 0.44 -0.12 -0.89 0.00 0.00 0.00 175.10 174.89 1rfd s THR 206 N 1.21 0.96 -0.23 3.92 2.01 -1.26 -1.33 115.64 120.91 1rfd s THR 206 Ca -0.02 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 1rfd s THR 206 Cb -0.14 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1rfd s THR 206 CO -0.05 0.27 0.41 0.00 -0.69 0.00 0.00 174.62 174.56 1rfd s ASN 209 N 1.30 4.98 -0.10 0.00 -0.87 0.11 -1.86 114.94 118.50 1rfd s ASN 209 Ca 0.18 -0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.22 1rfd s ASN 209 Cb -0.15 -1.89 -0.02 0.00 -0.02 0.00 0.00 41.25 39.18 1rfd s ASN 209 CO 0.09 -0.04 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.72 1rfd s VAL 210 N 1.58 2.81 -0.02 1.60 1.01 0.23 -1.32 120.40 126.30 1rfd s VAL 210 Ca 0.06 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1rfd s VAL 210 Cb -0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1rfd s VAL 210 CO 0.02 0.55 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 1rfd s ALA 211 N 0.00 1.35 -0.41 5.51 0.00 -0.16 -1.27 121.76 126.78 1rfd s ALA 211 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1rfd s ALA 211 Cb -0.14 -0.39 0.12 0.00 0.00 0.00 0.00 23.12 22.70 1rfd s ALA 211 CO 0.04 0.30 0.16 -1.58 0.00 0.00 0.00 175.76 174.68 1rfd s HIS 212 N -0.20 2.74 0.27 0.00 2.46 -0.22 -0.81 115.29 119.53 1rfd s HIS 212 Ca 0.02 -2.65 0.01 0.00 0.47 0.00 0.00 55.06 52.91 1rfd s HIS 212 Cb -0.08 -2.39 0.59 0.00 -0.13 0.00 0.00 32.58 30.57 1rfd s HIS 212 CO 0.00 -0.84 1.76 -1.35 -2.47 0.00 0.00 174.74 171.85 1rfd h PRO 213 N 7.19 0.62 -0.61 2.88 0.11 -1.82 -0.78 132.00 139.58 1rfd h PRO 213 Ca -0.06 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.08 1rfd h PRO 213 Cb 0.96 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1rfd h PRO 213 CO 0.54 0.41 0.40 0.00 -0.21 0.00 0.00 178.00 179.15 1rfd h ALA 214 N 1.59 1.83 -0.24 -0.75 0.00 -1.90 -2.18 119.26 117.61 1rfd h ALA 214 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1rfd h ALA 214 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rfd h ALA 214 CO -0.38 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 1rfd n SER 215 N -4.48 2.64 -2.63 0.00 3.41 -0.91 -4.96 113.62 106.70 1rfd n SER 215 Ca 0.09 -1.81 -0.18 0.00 -0.26 0.00 0.00 58.87 56.71 1rfd n SER 215 Cb 0.25 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1rfd n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rfd n SER 216 N 0.68 -5.01 -4.84 4.04 7.64 -0.35 -4.96 113.62 110.82 1rfd n SER 216 Ca 0.11 -0.03 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 1rfd n SER 216 Cb 0.40 -4.17 -0.06 0.00 -1.01 0.00 0.00 64.21 59.37 1rfd n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rfd s THR 217 N -2.90 4.85 -0.08 0.44 2.01 -0.97 -4.95 115.64 114.03 1rfd s THR 217 Ca 0.10 0.89 -0.04 0.00 0.31 0.00 0.00 61.69 62.95 1rfd s THR 217 Cb -0.05 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1rfd s THR 217 CO 0.12 0.32 0.19 -1.10 -0.69 0.00 0.00 174.62 173.46 1rfd s GLN 218 N -1.75 0.14 -0.02 4.92 -0.21 -1.26 -1.05 119.66 120.43 1rfd s GLN 218 Ca 0.35 0.44 0.00 0.00 0.02 0.00 0.00 55.36 56.18 1rfd s GLN 218 Cb -0.16 -0.15 0.02 0.00 1.00 0.00 0.00 33.01 33.72 1rfd s GLN 218 CO 0.19 -0.16 0.01 0.08 -2.12 0.00 0.00 175.29 173.29 1rfd s VAL 219 N 1.20 0.02 -0.16 1.09 1.01 -0.40 -5.01 120.40 118.15 1rfd s VAL 219 Ca -0.09 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1rfd s VAL 219 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1rfd s VAL 219 CO -0.07 0.08 -0.12 -1.81 0.00 0.00 0.00 175.10 173.18 1rfd s ASP 220 N 0.78 3.94 -0.07 3.32 1.01 -1.26 -0.60 116.67 123.79 1rfd s ASP 220 Ca -0.07 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 52.82 1rfd s ASP 220 Cb -0.10 -1.62 0.01 0.00 1.01 0.00 0.00 42.92 42.22 1rfd s ASP 220 CO -0.02 0.09 -0.15 -0.54 0.21 0.00 0.00 175.17 174.76 1rfd s LYS 221 N 0.81 2.03 0.05 8.23 -0.14 -0.78 -4.97 119.74 124.97 1rfd s LYS 221 Ca -0.04 -0.53 -0.20 0.00 -1.36 0.00 0.00 55.97 53.84 1rfd s LYS 221 Cb -0.15 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.31 1rfd s LYS 221 CO 0.01 0.07 0.58 0.21 -0.76 0.00 0.00 175.35 175.45 1rfd s LYS 222 N 0.56 4.24 -0.37 1.68 2.20 -1.26 -1.16 119.74 125.64 1rfd s LYS 222 Ca -0.15 0.73 -0.23 0.00 -0.36 0.00 0.00 55.97 55.96 1rfd s LYS 222 Cb -0.16 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1rfd s LYS 222 CO 0.05 0.55 0.75 0.42 -0.36 0.00 0.00 175.35 176.76 1rfd s ILE 223 N -0.80 4.76 -0.03 5.43 -1.09 -0.44 -4.83 121.20 124.20 1rfd s ILE 223 Ca 0.30 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.52 1rfd s ILE 223 Cb -0.19 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.46 1rfd s ILE 223 CO 0.18 -0.43 -0.03 0.68 -1.23 0.00 0.00 174.94 174.12 1rfd s VAL 226 N 3.03 4.00 0.32 2.92 -7.23 -1.26 -4.70 120.40 117.48 1rfd s VAL 226 Ca 0.30 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.63 1rfd s VAL 226 Cb -0.13 -2.73 -0.11 0.00 0.56 0.00 0.00 36.38 33.97 1rfd s VAL 226 CO 0.17 0.46 1.47 -2.84 -0.31 0.00 0.00 175.10 174.05 1rfd s PRO 227 N -1.27 4.19 0.00 4.82 0.02 -1.26 -4.69 135.00 136.81 1rfd s PRO 227 Ca 0.17 2.45 0.25 0.00 0.02 0.00 0.00 61.00 63.88 1rfd s PRO 227 Cb -0.11 -3.03 0.44 0.00 0.02 0.00 0.00 34.50 31.82 1rfd s PRO 227 CO 0.07 -0.47 1.40 0.36 -0.33 0.00 0.00 177.00 178.03