#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz1 s VAL 2 N 0.00 3.36 -0.06 6.31 1.01 -1.26 -4.06 120.40 125.70 1wz1 s VAL 2 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1wz1 s VAL 2 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wz1 s VAL 2 CO 0.00 0.01 -0.12 -0.54 0.00 0.00 0.00 175.10 174.46 1wz1 s LYS 3 N 2.15 1.59 -0.05 2.72 1.02 0.83 -4.99 119.74 123.01 1wz1 s LYS 3 Ca 0.67 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1wz1 s LYS 3 Cb -0.36 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1wz1 s LYS 3 CO 0.29 0.05 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.24 1wz1 s LEU 4 N 0.58 1.12 -0.12 3.17 1.43 -1.26 -1.71 118.68 121.89 1wz1 s LEU 4 Ca -0.12 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1wz1 s LEU 4 Cb -0.15 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1wz1 s LEU 4 CO 0.03 -0.10 0.18 -0.70 0.23 0.00 0.00 176.35 176.00 1wz1 s GLU 5 N 1.18 0.08 0.40 1.70 2.12 -0.26 -4.09 118.70 119.83 1wz1 s GLU 5 Ca -0.07 0.47 -0.12 0.00 0.36 0.00 0.00 54.97 55.61 1wz1 s GLU 5 Cb -0.14 -0.55 -0.07 0.00 0.26 0.00 0.00 34.13 33.63 1wz1 s GLU 5 CO -0.02 -0.40 0.78 -1.21 -0.54 0.00 0.00 175.26 173.87 1wz1 s GLU 6 N 2.31 3.84 0.11 4.30 8.01 -1.26 -0.94 118.70 135.06 1wz1 s GLU 6 Ca 0.04 0.55 -0.19 0.00 0.01 0.00 0.00 54.97 55.37 1wz1 s GLU 6 Cb -0.13 -2.38 0.05 0.00 -4.31 0.00 0.00 34.13 27.36 1wz1 s GLU 6 CO -0.08 -0.02 0.48 -1.54 0.01 0.00 0.00 175.26 174.11 1wz1 s SER 7 N -2.97 -0.37 0.00 -0.19 1.04 0.30 -4.76 113.70 106.75 1wz1 s SER 7 Ca 0.52 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1wz1 s SER 7 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wz1 s SER 7 CO 0.29 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1wz1 n GLY 8 N -0.04 1.89 3.64 7.32 0.00 -1.26 -0.68 105.19 116.05 1wz1 n GLY 8 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1wz1 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wz1 s GLY 9 N -2.17 1.65 0.00 -0.02 0.00 -1.26 -4.74 107.32 100.78 1wz1 s GLY 9 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1wz1 s GLY 9 CO 0.00 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.56 1wz1 n GLY 10 N 0.18 -1.71 3.71 0.20 0.00 0.03 -4.89 105.19 102.70 1wz1 n GLY 10 Ca 0.09 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1wz1 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wz1 s LEU 11 N 0.00 4.20 0.10 0.99 0.20 -1.26 -1.32 118.68 121.59 1wz1 s LEU 11 Ca 0.00 0.33 0.03 0.00 0.69 0.00 0.00 54.13 55.18 1wz1 s LEU 11 Cb 0.00 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1wz1 s LEU 11 CO 0.00 0.10 -0.08 0.54 -0.29 0.00 0.00 176.35 176.62 1wz1 s VAL 12 N 0.65 0.84 0.45 1.68 0.11 0.73 -4.97 120.40 119.89 1wz1 s VAL 12 Ca 0.12 -1.77 -0.13 0.00 -2.93 0.00 0.00 61.98 57.27 1wz1 s VAL 12 Cb -0.13 -1.50 -0.07 0.00 -1.53 0.00 0.00 36.38 33.16 1wz1 s VAL 12 CO 0.02 -0.70 0.86 -1.10 -3.33 0.00 0.00 175.10 170.85 1wz1 s GLN 13 N -3.25 3.83 0.34 1.54 -1.52 -1.26 -1.53 119.66 117.81 1wz1 s GLN 13 Ca 0.08 0.66 -0.28 0.00 -1.95 0.00 0.00 55.36 53.87 1wz1 s GLN 13 Cb 0.01 -2.28 -0.12 0.00 -0.22 0.00 0.00 33.01 30.39 1wz1 s GLN 13 CO -0.02 -0.14 1.32 -2.30 -0.25 0.00 0.00 175.29 173.90 1wz1 n PRO 14 N -1.46 2.20 -0.62 2.91 -0.02 -1.26 -0.94 135.00 135.82 1wz1 n PRO 14 Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1wz1 n PRO 14 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1wz1 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wz1 n GLY 15 N 0.75 1.10 2.59 -1.23 0.00 0.18 -4.93 105.19 103.65 1wz1 n GLY 15 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1wz1 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wz1 n GLY 16 N -2.00 -1.09 3.15 -0.02 0.00 -0.11 -4.21 105.19 100.91 1wz1 n GLY 16 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1wz1 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wz1 s SER 17 N -4.19 1.43 -0.26 1.61 0.01 -1.26 -1.60 113.70 109.45 1wz1 s SER 17 Ca 0.50 -0.69 -0.25 0.00 1.31 0.00 0.00 55.95 56.81 1wz1 s SER 17 Cb -0.01 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.28 1wz1 s SER 17 CO 0.35 -0.18 0.71 -0.32 0.41 0.00 0.00 173.24 174.20 1wz1 s MET 18 N -2.19 0.84 -0.15 12.44 0.00 -0.25 -5.01 119.30 124.97 1wz1 s MET 18 Ca 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 55.69 56.64 1wz1 s MET 18 Cb -0.07 0.41 -0.01 0.00 0.00 0.00 0.00 34.83 35.16 1wz1 s MET 18 CO 0.01 -0.11 -0.11 0.21 0.00 0.00 0.00 175.02 175.02 1wz1 s LYS 19 N 0.32 3.40 0.07 4.11 2.20 -1.26 -0.64 119.74 127.95 1wz1 s LYS 19 Ca -0.00 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1wz1 s LYS 19 Cb -0.05 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 1wz1 s LYS 19 CO 0.01 0.14 0.17 -0.51 -0.36 0.00 0.00 175.35 174.80 1wz1 s LEU 20 N 0.56 4.15 0.11 5.43 1.43 -0.00 -4.61 118.68 125.74 1wz1 s LEU 20 Ca -0.07 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1wz1 s LEU 20 Cb -0.15 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1wz1 s LEU 20 CO 0.03 0.16 -0.14 -0.44 0.23 0.00 0.00 176.35 176.19 1wz1 s SER 21 N -2.52 1.95 -0.09 2.29 0.01 0.14 -1.71 113.70 113.78 1wz1 s SER 21 Ca 0.33 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1wz1 s SER 21 Cb -0.13 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.08 1wz1 s SER 21 CO 0.26 -0.13 0.06 0.00 0.41 0.00 0.00 173.24 173.84 1wz1 s ALA 23 N 2.13 3.70 0.12 0.00 0.00 -0.12 -2.20 121.76 125.39 1wz1 s ALA 23 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1wz1 s ALA 23 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1wz1 s ALA 23 CO -0.05 0.41 -0.06 0.95 0.00 0.00 0.00 175.76 177.01 1wz1 s THR 24 N -0.72 0.79 -0.11 0.00 -4.23 -1.06 -1.10 115.64 109.20 1wz1 s THR 24 Ca 0.21 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.44 1wz1 s THR 24 Cb -0.15 -1.80 0.12 0.00 1.34 0.00 0.00 72.50 72.01 1wz1 s THR 24 CO 0.10 -0.77 1.04 -0.94 -0.54 0.00 0.00 174.62 173.51 1wz1 s SER 25 N -3.09 -0.27 0.00 3.99 1.04 -0.70 -4.90 113.70 109.77 1wz1 s SER 25 Ca 0.15 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wz1 s SER 25 Cb 0.05 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1wz1 s SER 25 CO -0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1wz1 n GLY 26 N 0.06 0.76 3.39 7.32 0.00 -1.26 -0.12 105.19 115.35 1wz1 n GLY 26 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1wz1 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wz1 s PHE 27 N -2.17 -0.43 -0.23 1.61 -0.12 -1.26 -4.32 117.98 111.06 1wz1 s PHE 27 Ca 0.00 0.45 -0.29 0.00 -0.05 0.00 0.00 56.93 57.04 1wz1 s PHE 27 Cb 0.00 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1wz1 s PHE 27 CO 0.00 -0.66 1.79 0.95 -0.05 0.00 0.00 175.22 177.25 1wz1 s THR 28 N -2.59 3.46 -0.07 -4.49 -4.23 -1.26 -4.90 115.64 101.57 1wz1 s THR 28 Ca -0.04 0.50 -0.24 0.00 -1.18 0.00 0.00 61.69 60.73 1wz1 s THR 28 Cb -0.01 -3.53 -0.26 0.00 1.34 0.00 0.00 72.50 70.04 1wz1 s THR 28 CO -0.03 -0.27 0.93 0.15 -0.54 0.00 0.00 174.62 174.87 1wz1 h PHE 29 N 12.06 0.32 -0.30 3.99 3.57 -1.95 -3.32 116.94 131.30 1wz1 h PHE 29 Ca -0.36 -0.20 0.09 0.00 3.53 0.00 0.00 57.97 61.02 1wz1 h PHE 29 Cb 1.18 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1wz1 h PHE 29 CO 0.93 1.08 0.25 0.66 -2.23 0.00 0.00 178.31 179.00 1wz1 h SER 30 N -0.54 0.00 -0.01 0.41 4.64 -1.90 -1.48 113.55 114.66 1wz1 h SER 30 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wz1 h SER 30 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1wz1 h SER 30 CO 0.08 0.00 -0.37 -0.90 -0.87 0.00 0.00 176.83 174.77 1wz1 n ASP 31 N -4.21 2.23 -4.80 4.97 3.85 -1.26 -3.63 116.55 113.70 1wz1 n ASP 31 Ca 0.04 -1.61 -0.35 0.00 -0.71 0.00 0.00 54.79 52.16 1wz1 n ASP 31 Cb 0.41 0.36 -0.06 0.00 -1.35 0.00 0.00 41.12 40.48 1wz1 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wz1 s ALA 32 N -2.37 3.10 -0.28 2.12 0.00 -0.56 -4.67 121.76 119.10 1wz1 s ALA 32 Ca 0.21 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1wz1 s ALA 32 Cb 0.19 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1wz1 s ALA 32 CO 0.51 0.10 0.18 -1.58 0.00 0.00 0.00 175.76 174.97 1wz1 s TRP 33 N -1.93 3.20 -0.00 0.00 0.52 0.47 -4.05 118.94 117.15 1wz1 s TRP 33 Ca 0.58 0.03 -0.06 0.00 0.02 0.00 0.00 56.10 56.66 1wz1 s TRP 33 Cb -0.14 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.77 1wz1 s TRP 33 CO 0.18 -0.20 0.26 -1.64 0.02 0.00 0.00 176.95 175.57 1wz1 s MET 34 N 1.74 3.57 0.14 4.98 -1.94 -0.80 -0.22 119.30 126.76 1wz1 s MET 34 Ca 0.07 -0.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1wz1 s MET 34 Cb -0.16 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 1wz1 s MET 34 CO 0.10 0.66 -0.05 -0.51 -0.01 0.00 0.00 175.02 175.21 1wz1 s ASP 35 N -1.66 1.38 -0.08 3.03 1.01 0.20 -0.86 116.67 119.69 1wz1 s ASP 35 Ca 0.27 -1.07 0.04 0.00 0.71 0.00 0.00 52.55 52.50 1wz1 s ASP 35 Cb -0.13 0.07 -0.00 0.00 1.01 0.00 0.00 42.92 43.87 1wz1 s ASP 35 CO 0.15 -0.46 -0.21 0.26 0.21 0.00 0.00 175.17 175.12 1wz1 s TRP 36 N -3.54 2.24 -0.02 4.23 0.52 -0.32 -1.68 118.94 120.37 1wz1 s TRP 36 Ca 0.17 -0.83 0.03 0.00 0.02 0.00 0.00 56.10 55.49 1wz1 s TRP 36 Cb 0.05 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1wz1 s TRP 36 CO -0.00 -0.33 -0.11 0.08 0.02 0.00 0.00 176.95 176.61 1wz1 s VAL 37 N 0.27 0.93 0.30 4.03 1.01 -0.15 -1.20 120.40 125.60 1wz1 s VAL 37 Ca -0.14 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1wz1 s VAL 37 Cb -0.16 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1wz1 s VAL 37 CO 0.06 0.28 -0.03 0.00 0.00 0.00 0.00 175.10 175.40 1wz1 s ARG 38 N 0.03 2.07 -0.03 2.72 1.70 -0.32 0.49 118.95 125.61 1wz1 s ARG 38 Ca -0.01 -1.65 -0.01 0.00 -0.47 0.00 0.00 55.73 53.60 1wz1 s ARG 38 Cb -0.08 -1.97 0.03 0.00 -0.57 0.00 0.00 34.95 32.36 1wz1 s ARG 38 CO 0.00 0.25 0.06 -1.14 -1.08 0.00 0.00 175.30 173.39 1wz1 s GLN 39 N -3.66 0.00 -0.01 3.89 0.74 0.09 -0.63 119.66 120.08 1wz1 s GLN 39 Ca 0.33 0.21 -0.09 0.00 0.05 0.00 0.00 55.36 55.86 1wz1 s GLN 39 Cb -0.03 -0.19 0.01 0.00 1.10 0.00 0.00 33.01 33.89 1wz1 s GLN 39 CO 0.19 -0.14 0.17 -1.54 -0.55 0.00 0.00 175.29 173.42 1wz1 s SER 40 N 0.93 -0.03 0.50 6.67 1.04 -0.89 -0.82 113.70 121.10 1wz1 s SER 40 Ca -0.08 -0.10 0.17 0.00 0.48 0.00 0.00 55.95 56.42 1wz1 s SER 40 Cb -0.11 0.24 1.23 0.00 0.10 0.00 0.00 66.02 67.48 1wz1 s SER 40 CO -0.03 -0.36 2.10 1.55 0.98 0.00 0.00 173.24 177.48 1wz1 h PRO 41 N 4.33 0.00 0.57 4.02 0.13 -1.93 0.98 132.00 140.10 1wz1 h PRO 41 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1wz1 h PRO 41 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wz1 h PRO 41 CO 0.40 0.07 -0.27 1.49 -0.23 0.00 0.00 178.00 179.46 1wz1 h GLU 42 N 0.00 -0.73 -0.09 0.86 4.81 -1.96 -3.35 114.58 114.12 1wz1 h GLU 42 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1wz1 h GLU 42 Cb 0.13 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1wz1 h GLU 42 CO 0.01 -0.49 0.00 1.63 -0.73 0.00 0.00 179.01 179.43 1wz1 n LYS 43 N -5.42 2.83 0.00 1.92 4.76 -1.10 -5.11 118.16 116.05 1wz1 n LYS 43 Ca -0.13 -1.75 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 1wz1 n LYS 43 Cb 0.31 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1wz1 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wz1 n GLY 44 N -0.35 1.46 3.72 0.72 0.00 0.34 -4.60 105.19 106.48 1wz1 n GLY 44 Ca 0.05 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1wz1 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wz1 s LEU 45 N 0.00 4.41 -0.07 0.99 1.43 -1.26 -2.09 118.68 122.08 1wz1 s LEU 45 Ca 0.00 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.60 1wz1 s LEU 45 Cb 0.00 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.87 1wz1 s LEU 45 CO 0.00 -0.12 0.17 -1.83 0.23 0.00 0.00 176.35 174.80 1wz1 s GLU 46 N 0.49 0.13 0.26 1.70 -1.05 0.19 -5.00 118.70 115.41 1wz1 s GLU 46 Ca 0.45 0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 55.37 1wz1 s GLU 46 Cb -0.21 -0.15 -0.10 0.00 -0.44 0.00 0.00 34.13 33.24 1wz1 s GLU 46 CO 0.25 -0.16 1.36 -0.46 0.95 0.00 0.00 175.26 177.20 1wz1 s TRP 47 N 1.12 3.11 -0.15 4.83 -0.00 -1.26 -1.17 118.94 125.42 1wz1 s TRP 47 Ca -0.09 1.20 -0.09 0.00 -0.00 0.00 0.00 56.10 57.13 1wz1 s TRP 47 Cb -0.11 -3.70 -0.07 0.00 -0.00 0.00 0.00 33.47 29.59 1wz1 s TRP 47 CO -0.06 -2.16 -0.22 0.28 -0.00 0.00 0.00 176.95 174.79 1wz1 n VAL 48 N 2.00 1.05 -3.43 5.86 0.31 -0.34 -4.62 118.33 119.16 1wz1 n VAL 48 Ca 0.05 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 1wz1 n VAL 48 Cb 0.42 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 1wz1 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wz1 s ALA 49 N -2.37 -1.60 -0.00 3.52 0.00 -1.11 -0.65 121.76 119.54 1wz1 s ALA 49 Ca -0.23 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 1wz1 s ALA 49 Cb 0.08 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.07 1wz1 s ALA 49 CO 0.30 -0.77 0.09 -2.00 0.00 0.00 0.00 175.76 173.37 1wz1 s GLU 50 N -3.73 0.38 -0.13 0.00 2.12 0.05 -1.18 118.70 116.22 1wz1 s GLU 50 Ca 0.01 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 1wz1 s GLU 50 Cb -0.01 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.57 1wz1 s GLU 50 CO -0.12 -0.08 -0.03 -1.50 -0.54 0.00 0.00 175.26 172.99 1wz1 s ILE 51 N -1.16 0.78 1.24 -3.70 2.07 -0.04 -1.13 121.20 119.26 1wz1 s ILE 51 Ca -0.13 -0.32 -0.21 0.00 -1.41 0.00 0.00 60.65 58.59 1wz1 s ILE 51 Cb -0.07 -0.97 0.31 0.00 0.13 0.00 0.00 42.46 41.86 1wz1 s ILE 51 CO 0.01 0.17 1.11 0.54 -1.91 0.00 0.00 174.94 174.85 1wz1 n ARG 52 N 5.00 -3.16 -0.86 3.50 5.12 -0.47 -1.91 116.66 123.88 1wz1 n ARG 52 Ca -0.10 -1.77 -0.09 0.00 -1.93 0.00 0.00 57.85 53.96 1wz1 n ARG 52 Cb 0.49 -1.65 0.06 0.00 -1.16 0.00 0.00 32.46 30.19 1wz1 n ARG 52 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1wz1 n ASN 53 N -4.88 0.19 0.21 0.55 0.23 -1.26 -4.13 115.26 106.16 1wz1 n ASN 53 Ca 0.15 -1.24 0.04 0.00 -0.53 0.00 0.00 54.58 53.01 1wz1 n ASN 53 Cb 0.59 -0.29 0.45 0.00 -2.08 0.00 0.00 39.78 38.45 1wz1 n ASN 53 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1wz1 h LYS 54 N 0.00 0.01 0.00 -3.83 1.57 -1.92 0.88 116.57 113.28 1wz1 h LYS 54 Ca -0.13 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1wz1 h LYS 54 Cb 0.39 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1wz1 h LYS 54 CO 0.11 0.26 -0.06 0.00 -0.57 0.00 0.00 179.45 179.18 1wz1 h ALA 55 N 1.74 1.63 -0.40 3.86 0.00 -1.93 -0.05 119.26 124.10 1wz1 h ALA 55 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wz1 h ALA 55 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wz1 h ALA 55 CO 0.03 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1wz1 n ASN 56 N -4.07 4.08 -2.37 0.00 5.03 -0.83 -4.95 115.26 112.15 1wz1 n ASN 56 Ca -0.03 -2.64 -0.18 0.00 0.87 0.00 0.00 54.58 52.59 1wz1 n ASN 56 Cb 0.15 -0.50 -0.01 0.00 -1.02 0.00 0.00 39.78 38.40 1wz1 n ASN 56 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1wz1 n ASN 57 N 0.22 -5.33 -2.92 6.41 5.15 -0.03 -1.76 115.26 117.00 1wz1 n ASN 57 Ca 0.21 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 54.04 1wz1 n ASN 57 Cb 0.82 -4.47 0.04 0.00 -0.53 0.00 0.00 39.78 35.64 1wz1 n ASN 57 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1wz1 n HIS 58 N -3.75 -2.02 -1.69 1.20 8.25 0.24 -4.92 115.22 112.54 1wz1 n HIS 58 Ca -0.22 0.59 -0.44 0.00 -0.26 0.00 0.00 57.72 57.39 1wz1 n HIS 58 Cb 0.66 -4.36 -0.03 0.00 1.12 0.00 0.00 29.99 27.38 1wz1 n HIS 58 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wz1 n ALA 59 N -3.75 1.88 -2.78 -1.41 0.00 -0.72 -4.47 120.51 109.26 1wz1 n ALA 59 Ca -0.08 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1wz1 n ALA 59 Cb 0.60 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 1wz1 n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wz1 s THR 60 N 0.75 4.75 0.01 0.00 -4.23 -1.26 -1.37 115.64 114.29 1wz1 s THR 60 Ca 0.75 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1wz1 s THR 60 Cb -0.61 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1wz1 s THR 60 CO 0.39 0.37 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.44 1wz1 s TYR 61 N -1.18 0.78 0.10 3.99 1.51 -0.29 -5.00 117.35 117.26 1wz1 s TYR 61 Ca 0.22 -0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 1wz1 s TYR 61 Cb -0.12 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1wz1 s TYR 61 CO 0.13 -0.02 -0.10 0.71 -1.11 0.00 0.00 175.55 175.17 1wz1 s TYR 62 N -0.50 1.06 0.53 2.71 2.02 -1.26 -0.77 117.35 121.13 1wz1 s TYR 62 Ca 0.00 -0.68 -0.19 0.00 -0.37 0.00 0.00 57.07 55.83 1wz1 s TYR 62 Cb -0.05 -0.58 -0.07 0.00 -0.40 0.00 0.00 41.96 40.87 1wz1 s TYR 62 CO 0.00 -0.01 1.08 0.00 -1.57 0.00 0.00 175.55 175.06 1wz1 s ALA 63 N -2.59 2.77 0.41 3.71 0.00 0.17 -4.87 121.76 121.36 1wz1 s ALA 63 Ca 0.07 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1wz1 s ALA 63 Cb -0.02 -3.30 0.87 0.00 0.00 0.00 0.00 23.12 20.67 1wz1 s ALA 63 CO -0.00 -0.58 2.03 1.49 0.00 0.00 0.00 175.76 178.69 1wz1 h GLU 64 N 1.26 0.55 0.00 0.00 4.57 -1.94 -2.17 114.58 116.85 1wz1 h GLU 64 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1wz1 h GLU 64 Cb 1.24 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1wz1 h GLU 64 CO 0.58 0.36 0.00 0.66 -1.18 0.00 0.00 179.01 179.43 1wz1 h SER 65 N 0.57 0.00 0.00 1.04 4.64 -1.96 -3.15 113.55 114.68 1wz1 h SER 65 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1wz1 h SER 65 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1wz1 h SER 65 CO -0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.24 1wz1 n VAL 66 N -2.34 0.00 -1.66 0.95 0.24 -0.87 -5.02 118.33 109.63 1wz1 n VAL 66 Ca 0.01 -0.45 -0.47 0.00 -2.04 0.00 0.00 64.34 61.39 1wz1 n VAL 66 Cb 0.18 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1wz1 n VAL 66 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wz1 n LYS 67 N -0.49 1.98 0.00 7.34 4.81 -0.90 -1.42 118.16 129.49 1wz1 n LYS 67 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1wz1 n LYS 67 Cb 0.01 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1wz1 n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wz1 n GLY 68 N 3.24 1.73 0.01 3.14 0.00 -1.26 -4.79 105.19 107.26 1wz1 n GLY 68 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1wz1 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wz1 n ARG 69 N -2.00 2.60 -4.08 1.61 1.74 -0.51 -5.03 116.66 110.99 1wz1 n ARG 69 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1wz1 n ARG 69 Cb 0.00 -1.04 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1wz1 n ARG 69 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wz1 s PHE 70 N -2.04 3.30 -0.09 -1.55 0.40 -0.73 -1.19 117.98 116.08 1wz1 s PHE 70 Ca -0.01 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1wz1 s PHE 70 Cb 0.01 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.82 1wz1 s PHE 70 CO 0.06 0.56 -0.01 0.99 0.70 0.00 0.00 175.22 177.52 1wz1 s THR 71 N -1.21 0.47 0.01 0.64 2.01 0.16 -4.87 115.64 112.85 1wz1 s THR 71 Ca 0.23 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 1wz1 s THR 71 Cb -0.12 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1wz1 s THR 71 CO 0.15 0.23 0.29 -0.51 -0.69 0.00 0.00 174.62 174.08 1wz1 s ILE 72 N 1.93 5.27 0.26 1.82 2.07 -1.26 -0.71 121.20 130.58 1wz1 s ILE 72 Ca 0.04 0.26 -0.11 0.00 -1.41 0.00 0.00 60.65 59.43 1wz1 s ILE 72 Cb -0.13 -3.58 -0.00 0.00 0.13 0.00 0.00 42.46 38.88 1wz1 s ILE 72 CO -0.06 0.39 0.46 -0.94 -1.91 0.00 0.00 174.94 172.88 1wz1 s SER 73 N -1.61 0.03 0.11 4.50 1.04 -0.90 -5.00 113.70 111.87 1wz1 s SER 73 Ca 0.27 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 1wz1 s SER 73 Cb -0.13 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1wz1 s SER 73 CO 0.15 -1.15 0.30 0.00 0.98 0.00 0.00 173.24 173.52 1wz1 s ARG 74 N -3.88 0.96 -0.43 4.02 1.70 -1.26 -0.37 118.95 119.68 1wz1 s ARG 74 Ca 0.24 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.70 1wz1 s ARG 74 Cb -0.00 0.41 0.13 0.00 -0.57 0.00 0.00 34.95 34.91 1wz1 s ARG 74 CO 0.10 -0.34 0.21 0.34 -1.08 0.00 0.00 175.30 174.53 1wz1 s ASP 75 N -2.82 3.96 0.48 -2.89 3.68 0.14 -4.98 116.67 114.23 1wz1 s ASP 75 Ca 0.04 -2.54 0.18 0.00 2.13 0.00 0.00 52.55 52.36 1wz1 s ASP 75 Cb 0.03 -1.21 1.19 0.00 -1.45 0.00 0.00 42.92 41.48 1wz1 s ASP 75 CO -0.11 -0.29 2.00 0.44 0.13 0.00 0.00 175.17 177.34 1wz1 h ASP 76 N 6.94 0.20 0.33 -0.34 3.32 -1.96 0.36 116.42 125.26 1wz1 h ASP 76 Ca -0.05 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1wz1 h ASP 76 Cb 0.94 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1wz1 h ASP 76 CO 0.53 0.12 -0.43 0.28 -1.72 0.00 0.00 179.24 178.02 1wz1 h SER 77 N 0.22 0.14 -0.01 6.45 0.02 -1.95 -2.99 113.55 115.42 1wz1 h SER 77 Ca 0.24 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1wz1 h SER 77 Cb 0.65 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1wz1 h SER 77 CO -0.04 0.55 -0.78 0.29 -1.14 0.00 0.00 176.83 175.70 1wz1 n LYS 78 N -4.02 0.54 -3.48 3.45 5.02 -0.30 -4.98 118.16 114.39 1wz1 n LYS 78 Ca -0.02 -0.39 -0.20 0.00 -2.02 0.00 0.00 58.31 55.68 1wz1 n LYS 78 Cb 0.47 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.09 1wz1 n LYS 78 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wz1 n ARG 79 N -0.91 -7.10 -4.23 1.97 1.74 0.11 -4.77 116.66 103.47 1wz1 n ARG 79 Ca 0.06 0.81 -0.20 0.00 -0.77 0.00 0.00 57.85 57.75 1wz1 n ARG 79 Cb 0.38 -5.77 -0.12 0.00 -1.02 0.00 0.00 32.46 25.92 1wz1 n ARG 79 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wz1 s ARG 80 N -5.81 0.92 0.14 5.56 0.52 -1.01 -2.57 118.95 116.71 1wz1 s ARG 80 Ca 0.29 -0.99 0.10 0.00 -0.52 0.00 0.00 55.73 54.62 1wz1 s ARG 80 Cb -0.13 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 1wz1 s ARG 80 CO 0.71 0.23 -0.23 0.54 0.02 0.00 0.00 175.30 176.57 1wz1 s VAL 81 N -1.19 2.49 0.11 3.52 0.11 -0.94 -0.69 120.40 123.83 1wz1 s VAL 81 Ca 0.01 -1.74 0.03 0.00 -2.93 0.00 0.00 61.98 57.35 1wz1 s VAL 81 Cb -0.10 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 1wz1 s VAL 81 CO 0.03 0.04 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.44 1wz1 s TYR 82 N -1.24 1.04 -0.21 1.54 2.02 0.50 -1.22 117.35 119.77 1wz1 s TYR 82 Ca 0.17 -0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1wz1 s TYR 82 Cb -0.10 -0.57 0.08 0.00 -0.40 0.00 0.00 41.96 40.97 1wz1 s TYR 82 CO 0.08 -0.04 0.12 -1.17 -1.57 0.00 0.00 175.55 172.97 1wz1 s LEU 83 N -2.93 0.35 -0.34 -1.29 2.96 -0.70 -2.11 118.68 114.62 1wz1 s LEU 83 Ca 0.12 -0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 53.05 1wz1 s LEU 83 Cb 0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.51 1wz1 s LEU 83 CO -0.02 -0.38 0.61 -1.58 -1.32 0.00 0.00 176.35 173.66 1wz1 s GLN 84 N 2.15 3.75 -0.30 1.98 2.00 0.12 -0.82 119.66 128.53 1wz1 s GLN 84 Ca 0.05 0.10 -0.06 0.00 -2.00 0.00 0.00 55.36 53.44 1wz1 s GLN 84 Cb -0.16 -3.78 0.02 0.00 0.80 0.00 0.00 33.01 29.89 1wz1 s GLN 84 CO -0.18 -0.66 0.07 -1.64 -0.50 0.00 0.00 175.29 172.38 1wz1 s MET 85 N 2.61 2.97 0.34 1.67 -1.94 0.19 -0.67 119.30 124.47 1wz1 s MET 85 Ca 0.23 -0.94 0.09 0.00 -1.71 0.00 0.00 55.69 53.36 1wz1 s MET 85 Cb -0.15 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.29 1wz1 s MET 85 CO 0.13 -0.49 0.08 -0.80 -0.01 0.00 0.00 175.02 173.94 1wz1 s ASN 86 N 1.46 4.48 -1.48 3.03 0.01 -0.34 -1.09 114.94 121.01 1wz1 s ASN 86 Ca 0.01 -0.85 -0.04 0.00 -0.71 0.00 0.00 52.86 51.27 1wz1 s ASN 86 Cb -0.18 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 40.86 1wz1 s ASN 86 CO 0.02 -0.26 0.46 0.41 -1.51 0.00 0.00 177.10 176.22 1wz1 n THR 87 N -1.06 -2.44 -1.69 1.60 -1.04 -1.06 -4.65 114.28 103.93 1wz1 n THR 87 Ca -0.04 -0.39 -0.39 0.00 -2.04 0.00 0.00 64.05 61.20 1wz1 n THR 87 Cb 0.62 -2.31 0.04 0.00 -1.82 0.00 0.00 70.33 66.86 1wz1 n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wz1 n LEU 88 N -4.42 4.62 -4.42 -4.42 4.77 -0.62 -4.61 117.00 107.90 1wz1 n LEU 88 Ca -0.23 0.95 -0.22 0.00 -0.03 0.00 0.00 56.01 56.49 1wz1 n LEU 88 Cb 0.65 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 1wz1 n LEU 88 CO 0.78 -1.01 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.25 1wz1 s ARG 89 N -2.70 1.53 0.23 3.23 0.52 -1.26 0.47 118.95 120.96 1wz1 s ARG 89 Ca 0.71 -1.70 -0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1wz1 s ARG 89 Cb -0.44 -1.45 0.32 0.00 0.52 0.00 0.00 34.95 33.90 1wz1 s ARG 89 CO 0.50 0.24 1.79 0.00 0.02 0.00 0.00 175.30 177.86 1wz1 h ALA 90 N 2.38 1.00 0.00 2.13 0.00 -1.97 -0.19 119.26 122.62 1wz1 h ALA 90 Ca -0.39 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wz1 h ALA 90 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wz1 h ALA 90 CO 0.62 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 1wz1 n GLU 91 N -4.81 0.20 0.00 0.00 0.00 -1.26 -1.21 120.64 113.55 1wz1 n GLU 91 Ca 0.11 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.52 1wz1 n GLU 91 Cb 0.25 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.67 1wz1 n GLU 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wz1 n ASP 92 N -1.17 0.53 -4.77 -1.84 10.43 -0.08 -4.89 116.55 114.76 1wz1 n ASP 92 Ca 0.05 -0.42 -0.41 0.00 2.57 0.00 0.00 54.79 56.58 1wz1 n ASP 92 Cb 0.06 -0.02 -0.01 0.00 1.84 0.00 0.00 41.12 42.99 1wz1 n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1wz1 s THR 93 N -2.66 2.05 -5.00 -3.53 2.01 -0.35 -4.90 115.64 103.25 1wz1 s THR 93 Ca 0.22 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1wz1 s THR 93 Cb 0.19 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1wz1 s THR 93 CO 0.54 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1wz1 n GLY 94 N 1.17 -2.31 3.68 4.40 0.00 0.08 -4.66 105.19 107.56 1wz1 n GLY 94 Ca 0.04 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1wz1 n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wz1 s ILE 95 N -1.91 5.16 -0.22 -0.61 1.01 0.00 -0.80 121.20 123.83 1wz1 s ILE 95 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 60.65 61.43 1wz1 s ILE 95 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1wz1 s ILE 95 CO 0.00 0.25 0.13 -0.31 0.00 0.00 0.00 174.94 175.01 1wz1 s TYR 96 N 1.22 3.32 0.08 3.97 1.51 0.51 -0.73 117.35 127.23 1wz1 s TYR 96 Ca 0.23 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.56 1wz1 s TYR 96 Cb -0.15 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1wz1 s TYR 96 CO 0.09 0.11 -0.14 0.71 -1.11 0.00 0.00 175.55 175.21 1wz1 s TYR 97 N 0.82 2.65 -0.15 2.71 1.51 0.18 -1.65 117.35 123.42 1wz1 s TYR 97 Ca 0.07 -0.20 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1wz1 s TYR 97 Cb -0.13 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1wz1 s TYR 97 CO 0.02 0.36 0.06 0.00 -1.11 0.00 0.00 175.55 174.89 1wz1 n THR 99 N 2.92 0.00 -0.49 0.00 5.66 -0.68 -1.53 114.28 120.17 1wz1 n THR 99 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1wz1 n THR 99 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1wz1 n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wz1 n GLY 100 N 0.00 -1.72 3.33 1.09 0.00 -1.26 -0.63 105.19 105.99 1wz1 n GLY 100 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 1wz1 n GLY 100 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wz1 s ILE 101 N -2.14 0.00 0.06 -0.61 -4.36 0.69 -4.16 121.20 110.67 1wz1 s ILE 101 Ca 0.00 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 1wz1 s ILE 101 Cb 0.00 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1wz1 s ILE 101 CO 0.00 0.00 -0.22 -0.31 0.24 0.00 0.00 174.94 174.65 1wz1 s TYR 102 N -3.54 1.90 0.28 1.37 1.51 -1.19 -0.40 117.35 117.28 1wz1 s TYR 102 Ca 0.37 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1wz1 s TYR 102 Cb 0.03 -1.11 0.65 0.00 -0.11 0.00 0.00 41.96 41.41 1wz1 s TYR 102 CO 0.22 0.13 1.62 -0.92 -1.11 0.00 0.00 175.55 175.48 1wz1 h TYR 103 N 4.68 0.08 0.00 2.71 3.20 -1.98 0.44 116.97 126.11 1wz1 h TYR 103 Ca -0.44 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1wz1 h TYR 103 Cb 1.16 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1wz1 h TYR 103 CO 0.52 -0.30 -0.30 0.72 -1.64 0.00 0.00 178.16 177.16 1wz1 n HIS 104 N -5.36 0.13 -3.30 -3.82 8.25 -1.26 -4.28 115.22 105.57 1wz1 n HIS 104 Ca 0.20 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.44 1wz1 n HIS 104 Cb 0.65 -0.44 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1wz1 n HIS 104 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1wz1 n TYR 105 N -1.62 1.89 -0.47 4.41 4.02 0.13 -5.02 117.16 120.50 1wz1 n TYR 105 Ca 0.06 -3.89 -0.09 0.00 -0.01 0.00 0.00 57.90 53.96 1wz1 n TYR 105 Cb 0.36 -0.47 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 1wz1 n TYR 105 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1wz1 n PRO 106 N 1.02 1.11 -4.00 -0.72 -0.04 -1.13 -3.20 135.00 128.05 1wz1 n PRO 106 Ca 0.26 -0.73 -0.12 0.00 -0.04 0.00 0.00 63.50 62.88 1wz1 n PRO 106 Cb 0.47 -1.95 -0.12 0.00 -0.04 0.00 0.00 33.50 31.85 1wz1 n PRO 106 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1wz1 s TRP 107 N 2.81 0.31 -1.14 0.54 -2.14 -1.26 -5.03 118.94 113.03 1wz1 s TRP 107 Ca 0.28 -0.31 -0.21 0.00 2.66 0.00 0.00 56.10 58.52 1wz1 s TRP 107 Cb 0.11 -0.20 0.04 0.00 -3.10 0.00 0.00 33.47 30.32 1wz1 s TRP 107 CO -0.01 -0.09 1.65 -0.06 -2.66 0.00 0.00 176.95 175.79 1wz1 s PHE 108 N -0.84 2.52 0.21 1.66 2.99 -1.26 -4.57 117.98 118.70 1wz1 s PHE 108 Ca -0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 56.93 55.91 1wz1 s PHE 108 Cb -0.06 -4.61 0.18 0.00 0.00 0.00 0.00 43.02 38.53 1wz1 s PHE 108 CO -0.00 -1.81 1.58 0.00 -0.00 0.00 0.00 175.22 174.99 1wz1 h ALA 109 N 9.02 0.82 -3.84 5.36 0.00 -1.93 -3.45 119.26 125.25 1wz1 h ALA 109 Ca 0.29 -0.43 -0.39 0.00 0.00 0.00 0.00 54.91 54.39 1wz1 h ALA 109 Cb 0.95 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.32 1wz1 h ALA 109 CO 1.40 0.64 -0.77 0.71 0.00 0.00 0.00 179.25 181.24 1wz1 s TYR 110 N -4.32 0.74 0.02 0.00 2.02 -1.26 -5.13 117.35 109.41 1wz1 s TYR 110 Ca -0.08 -0.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 1wz1 s TYR 110 Cb 0.12 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1wz1 s TYR 110 CO 0.83 -0.06 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.97 1wz1 s TRP 111 N 0.12 1.79 0.99 2.71 0.52 -1.26 -4.26 118.94 119.55 1wz1 s TRP 111 Ca -0.01 -0.36 -0.15 0.00 0.02 0.00 0.00 56.10 55.60 1wz1 s TRP 111 Cb -0.06 -1.10 0.19 0.00 -1.15 0.00 0.00 33.47 31.34 1wz1 s TRP 111 CO -0.00 0.04 1.19 0.20 0.02 0.00 0.00 176.95 178.40 1wz1 s GLY 112 N -0.87 1.64 0.36 0.98 0.00 -0.58 -4.84 107.32 104.02 1wz1 s GLY 112 Ca 0.07 -0.85 0.27 0.00 0.00 0.00 0.00 44.72 44.21 1wz1 s GLY 112 CO 0.01 -0.15 1.78 1.46 0.00 0.00 0.00 173.10 176.19 1wz1 h GLN 113 N -1.76 0.00 0.00 2.90 1.08 -1.92 -3.44 115.11 111.97 1wz1 h GLN 113 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1wz1 h GLN 113 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1wz1 h GLN 113 CO 0.48 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.77 1wz1 n GLY 114 N 0.58 1.96 2.99 3.46 0.00 -1.26 -5.01 105.19 107.91 1wz1 n GLY 114 Ca 0.03 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1wz1 n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wz1 s THR 115 N -2.90 0.73 -0.08 2.61 -1.32 -0.66 -4.78 115.64 109.24 1wz1 s THR 115 Ca 0.00 -0.34 -0.22 0.00 -1.21 0.00 0.00 61.69 59.92 1wz1 s THR 115 Cb 0.00 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1wz1 s THR 115 CO 0.00 0.23 0.65 -0.22 -2.21 0.00 0.00 174.62 173.07 1wz1 s LEU 116 N 0.17 4.30 -0.21 9.08 2.96 -1.26 -0.36 118.68 133.35 1wz1 s LEU 116 Ca -0.03 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1wz1 s LEU 116 Cb -0.08 -2.99 0.03 0.00 0.50 0.00 0.00 46.19 43.65 1wz1 s LEU 116 CO 0.00 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.11 1wz1 s VAL 117 N 0.82 2.38 -0.18 1.68 1.01 0.02 -0.79 120.40 125.35 1wz1 s VAL 117 Ca 0.35 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1wz1 s VAL 117 Cb -0.17 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1wz1 s VAL 117 CO 0.16 0.34 -0.19 -0.89 0.00 0.00 0.00 175.10 174.52 1wz1 s THR 118 N 1.28 2.14 -0.43 3.92 2.01 -0.43 -0.74 115.64 123.39 1wz1 s THR 118 Ca 0.01 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 1wz1 s THR 118 Cb -0.15 -1.91 0.10 0.00 0.01 0.00 0.00 72.50 70.55 1wz1 s THR 118 CO -0.09 0.52 0.26 -0.69 -0.69 0.00 0.00 174.62 173.93 1wz1 s VAL 119 N 1.30 3.85 -0.07 3.82 1.01 -1.26 -0.19 120.40 128.86 1wz1 s VAL 119 Ca 0.05 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.07 1wz1 s VAL 119 Cb -0.13 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1wz1 s VAL 119 CO -0.12 -0.64 0.48 -0.55 0.00 0.00 0.00 175.10 174.27 1wz1 s SER 120 N 2.18 -0.43 0.00 3.32 0.15 -0.58 -4.36 113.70 113.97 1wz1 s SER 120 Ca 0.05 0.52 0.19 0.00 0.70 0.00 0.00 55.95 57.41 1wz1 s SER 120 Cb -0.24 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1wz1 s SER 120 CO -0.01 -0.43 0.92 0.00 1.20 0.00 0.00 173.24 174.91 1wz1 n ALA 121 N 1.53 3.51 -3.63 5.45 0.00 -1.26 -4.33 120.51 121.78 1wz1 n ALA 121 Ca -0.19 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1wz1 n ALA 121 Cb 0.56 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 1wz1 n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wz1 s GLU 122 N -2.24 0.74 0.00 0.00 -1.05 -1.26 -5.10 118.70 109.80 1wz1 s GLU 122 Ca 0.14 0.97 0.20 0.00 -0.15 0.00 0.00 54.97 56.13 1wz1 s GLU 122 Cb 0.15 0.32 1.20 0.00 -0.44 0.00 0.00 34.13 35.35 1wz1 s GLU 122 CO 0.52 -0.10 1.58 -2.30 0.95 0.00 0.00 175.26 175.91