#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwz s PRO 3 N 0.00 4.18 -0.05 5.56 0.04 -1.26 -4.86 135.00 138.61 2cwz s PRO 3 Ca 0.00 2.46 -0.24 0.00 0.04 0.00 0.00 61.00 63.26 2cwz s PRO 3 Cb 0.00 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2cwz s PRO 3 CO 0.00 -0.67 0.72 0.42 0.04 0.00 0.00 177.00 177.51 2cwz s ILE 4 N 1.23 5.01 0.43 0.56 1.01 -1.26 -5.02 121.20 123.16 2cwz s ILE 4 Ca 0.72 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 62.60 2cwz s ILE 4 Cb -0.46 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 2cwz s ILE 4 CO 0.32 0.26 1.41 -2.84 0.00 0.00 0.00 174.94 174.09 2cwz s PRO 5 N 0.71 3.80 0.23 2.79 0.02 -1.26 -4.91 135.00 136.38 2cwz s PRO 5 Ca 0.38 2.40 -0.31 0.00 0.02 0.00 0.00 61.00 63.49 2cwz s PRO 5 Cb -0.18 -2.72 -0.10 0.00 0.02 0.00 0.00 34.50 31.51 2cwz s PRO 5 CO 0.19 -0.72 1.51 -2.00 -0.33 0.00 0.00 177.00 175.65 2cwz s GLU 6 N -2.35 4.23 0.00 5.54 2.12 -1.26 -1.72 118.70 125.25 2cwz s GLU 6 Ca 0.59 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.28 2cwz s GLU 6 Cb -0.43 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2cwz s GLU 6 CO 0.56 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 2cwz n GLY 7 N 2.71 0.88 3.69 -1.50 0.00 -0.20 -5.00 105.19 105.76 2cwz n GLY 7 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2cwz n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cwz n TYR 8 N -2.01 2.43 -4.41 1.61 9.36 -0.70 -4.54 117.16 118.91 2cwz n TYR 8 Ca 0.00 0.24 -0.30 0.00 3.32 0.00 0.00 57.90 61.17 2cwz n TYR 8 Cb 0.00 -2.57 -0.12 0.00 -0.63 0.00 0.00 39.34 36.02 2cwz n TYR 8 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2cwz s GLU 9 N 0.58 1.73 0.03 2.98 2.02 -1.26 -0.44 118.70 124.35 2cwz s GLU 9 Ca 0.74 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 54.57 2cwz s GLU 9 Cb -0.61 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2cwz s GLU 9 CO 0.40 0.48 -0.08 0.00 0.02 0.00 0.00 175.26 176.08 2cwz s ALA 10 N -1.07 0.65 0.09 5.21 0.00 -0.64 -4.98 121.76 121.02 2cwz s ALA 10 Ca 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2cwz s ALA 10 Cb -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2cwz s ALA 10 CO 0.08 0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.83 2cwz s VAL 11 N -0.86 1.33 -0.06 0.00 1.01 -1.26 -1.05 120.40 119.51 2cwz s VAL 11 Ca -0.04 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.49 2cwz s VAL 11 Cb -0.07 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.02 2cwz s VAL 11 CO 0.00 -0.23 -0.07 0.12 0.00 0.00 0.00 175.10 174.93 2cwz s PHE 12 N -1.45 1.03 0.04 5.22 5.36 -0.33 -4.93 117.98 122.92 2cwz s PHE 12 Ca 0.03 -0.35 0.07 0.00 -0.96 0.00 0.00 56.93 55.72 2cwz s PHE 12 Cb -0.09 -0.84 -0.02 0.00 -0.34 0.00 0.00 43.02 41.72 2cwz s PHE 12 CO 0.03 -0.25 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.12 2cwz s GLU 13 N 0.93 1.46 0.32 10.12 2.02 -1.26 -0.38 118.70 131.91 2cwz s GLU 13 Ca -0.11 -0.93 -0.09 0.00 0.02 0.00 0.00 54.97 53.86 2cwz s GLU 13 Cb -0.15 -1.56 0.04 0.00 0.10 0.00 0.00 34.13 32.56 2cwz s GLU 13 CO 0.01 0.40 0.59 -2.37 0.02 0.00 0.00 175.26 173.90 2cwz n THR 14 N 1.93 0.00 -4.91 3.63 5.66 -0.55 -5.00 114.28 115.04 2cwz n THR 14 Ca -0.17 -1.02 -0.29 0.00 -3.05 0.00 0.00 64.05 59.52 2cwz n THR 14 Cb 0.53 0.85 -0.17 0.00 -1.55 0.00 0.00 70.33 70.00 2cwz n THR 14 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2cwz s VAL 15 N -2.40 1.68 0.08 1.08 1.01 -1.26 -0.59 120.40 120.00 2cwz s VAL 15 Ca 0.16 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 2cwz s VAL 15 Cb -0.03 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 2cwz s VAL 15 CO 0.12 0.47 1.75 -0.69 0.00 0.00 0.00 175.10 176.76 2cwz s VAL 16 N 0.52 2.87 0.30 2.92 1.01 -1.26 -4.85 120.40 121.91 2cwz s VAL 16 Ca -0.16 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2cwz s VAL 16 Cb -0.17 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2cwz s VAL 16 CO 0.06 -0.00 0.14 0.42 0.00 0.00 0.00 175.10 175.72 2cwz s THR 17 N 2.95 3.60 0.49 3.92 -4.23 -1.26 0.71 115.64 121.83 2cwz s THR 17 Ca 0.78 -1.62 0.22 0.00 -1.18 0.00 0.00 61.69 59.89 2cwz s THR 17 Cb -0.42 -3.09 0.38 0.00 1.34 0.00 0.00 72.50 70.72 2cwz s THR 17 CO 0.35 -0.28 1.97 -0.65 -0.54 0.00 0.00 174.62 175.46 2cwz h PRO 18 N 1.58 0.15 -2.39 3.99 0.11 -1.96 -3.34 132.00 130.13 2cwz h PRO 18 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2cwz h PRO 18 Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2cwz h PRO 18 CO 0.61 0.10 0.11 0.39 -0.21 0.00 0.00 178.00 179.00 2cwz n GLU 19 N -4.41 0.59 -1.13 1.05 4.71 -1.26 -4.91 120.64 115.27 2cwz n GLU 19 Ca 0.12 -0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.16 2cwz n GLU 19 Cb 0.59 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 29.42 2cwz n GLU 19 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2cwz n THR 21 N 2.43 -0.19 -1.85 2.62 -2.24 -1.25 -5.01 114.28 108.78 2cwz n THR 21 Ca 0.10 0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 61.88 2cwz n THR 21 Cb 0.28 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 2cwz n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2cwz s VAL 22 N -3.62 3.28 -0.13 2.28 1.01 -0.75 -4.63 120.40 117.84 2cwz s VAL 22 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2cwz s VAL 22 Cb 0.00 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2cwz s VAL 22 CO 0.00 -0.34 0.27 -0.60 0.00 0.00 0.00 175.10 174.43 2cwz s ARG 23 N 6.38 0.17 0.24 2.72 3.52 -1.26 -0.99 118.95 129.72 2cwz s ARG 23 Ca 0.85 0.73 0.08 0.00 -0.13 0.00 0.00 55.73 57.27 2cwz s ARG 23 Cb -0.23 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 2cwz s ARG 23 CO 0.31 -0.26 0.04 -0.06 -0.81 0.00 0.00 175.30 174.52 2cwz s PHE 24 N 2.25 2.83 0.51 5.12 0.08 -0.63 -4.95 117.98 123.20 2cwz s PHE 24 Ca -0.01 -0.17 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 2cwz s PHE 24 Cb -0.12 -1.29 -0.07 0.00 -0.57 0.00 0.00 43.02 40.97 2cwz s PHE 24 CO -0.09 0.57 1.12 -1.21 -0.10 0.00 0.00 175.22 175.51 2cwz s GLU 25 N -3.51 3.54 0.00 0.44 8.01 -1.26 -0.32 118.70 125.60 2cwz s GLU 25 Ca 0.31 1.60 0.00 0.00 0.01 0.00 0.00 54.97 56.89 2cwz s GLU 25 Cb -0.08 -2.12 0.00 0.00 -4.31 0.00 0.00 34.13 27.63 2cwz s GLU 25 CO 0.21 -0.69 0.00 0.39 0.01 0.00 0.00 175.26 175.17 2cwz n GLU 26 N -1.04 0.00 0.09 1.61 1.02 -1.26 -4.39 120.64 116.67 2cwz n GLU 26 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2cwz n GLU 26 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.80 2cwz n GLU 26 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2cwz h LEU 27 N 0.00 0.26 0.00 -4.62 3.38 -2.00 -3.50 115.31 108.84 2cwz h LEU 27 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2cwz h LEU 27 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2cwz h LEU 27 CO 0.00 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2cwz n GLY 28 N 1.41 -1.61 3.74 0.83 0.00 0.57 -4.90 105.19 105.23 2cwz n GLY 28 Ca -0.05 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2cwz n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cwz n PRO 29 N 0.00 2.65 0.03 1.61 -0.02 -1.26 -1.61 135.00 136.40 2cwz n PRO 29 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2cwz n PRO 29 Cb 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 2cwz n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2cwz n VAL 30 N 1.91 0.53 -4.03 -1.45 0.31 -0.16 -4.94 118.33 110.51 2cwz n VAL 30 Ca 0.08 0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 64.41 2cwz n VAL 30 Cb 0.37 -1.41 -0.16 0.00 -0.91 0.00 0.00 33.84 31.73 2cwz n VAL 30 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2cwz s HIS 31 N -2.00 0.43 0.00 3.52 3.76 -1.14 -5.05 115.29 114.81 2cwz s HIS 31 Ca 0.00 -0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 54.83 2cwz s HIS 31 Cb 0.00 -0.42 -0.07 0.00 1.11 0.00 0.00 32.58 33.20 2cwz s HIS 31 CO 0.00 -0.11 2.23 -0.35 -0.85 0.00 0.00 174.74 175.66 2cwz n PRO 32 N 3.82 1.16 -4.16 8.40 -0.04 -1.26 -1.82 135.00 141.10 2cwz n PRO 32 Ca -0.23 -0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 62.87 2cwz n PRO 32 Cb 0.52 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2cwz n PRO 32 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cwz s VAL 33 N 0.49 0.42 -0.36 0.52 -7.23 -1.26 -4.52 120.40 108.46 2cwz s VAL 33 Ca 0.17 -1.90 -0.42 0.00 -1.81 0.00 0.00 61.98 58.02 2cwz s VAL 33 Cb 0.08 -1.81 -0.17 0.00 0.56 0.00 0.00 36.38 35.04 2cwz s VAL 33 CO 0.00 -0.73 1.74 0.00 -0.31 0.00 0.00 175.10 175.80 2cwz n TYR 34 N -0.05 1.91 -2.57 2.82 9.36 -0.49 -2.53 117.16 125.60 2cwz n TYR 34 Ca -0.10 0.73 -0.35 0.00 3.32 0.00 0.00 57.90 61.50 2cwz n TYR 34 Cb 0.62 -2.38 -0.04 0.00 -0.63 0.00 0.00 39.34 36.91 2cwz n TYR 34 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2cwz s ALA 35 N 3.68 2.99 0.21 2.98 0.00 -1.26 -4.78 121.76 125.57 2cwz s ALA 35 Ca 1.02 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 2cwz s ALA 35 Cb -1.22 -3.25 0.16 0.00 0.00 0.00 0.00 23.12 18.81 2cwz s ALA 35 CO 0.70 -0.22 1.88 1.15 0.00 0.00 0.00 175.76 179.27 2cwz h THR 36 N 1.89 1.20 0.00 0.00 2.02 -1.97 -1.99 112.91 114.06 2cwz h THR 36 Ca -0.49 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 2cwz h THR 36 Cb 1.21 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2cwz h THR 36 CO 0.61 0.19 -0.18 0.10 0.37 0.00 0.00 175.52 176.61 2cwz h TYR 37 N 1.03 0.00 0.00 3.16 -0.00 -2.00 -0.04 116.97 119.11 2cwz h TYR 37 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 2cwz h TYR 37 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.62 2cwz h TYR 37 CO -0.02 0.18 0.00 0.91 -0.00 0.00 0.00 178.16 179.23 2cwz n TRP 38 N -3.67 0.00 0.00 0.10 7.02 -0.75 -1.92 117.44 118.22 2cwz n TRP 38 Ca -0.01 -0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.00 2cwz n TRP 38 Cb 0.30 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 2cwz n TRP 38 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2cwz n VAL 40 N 0.71 0.00 -0.18 -0.99 0.31 -0.03 -1.71 118.33 116.43 2cwz n VAL 40 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2cwz n VAL 40 Cb 0.41 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.41 2cwz n VAL 40 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2cwz h LYS 41 N 0.00 0.50 -1.72 5.55 3.64 -1.65 -0.29 116.57 122.60 2cwz h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2cwz h LYS 41 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2cwz h LYS 41 CO 0.00 0.33 0.00 0.72 -2.27 0.00 0.00 179.45 178.23 2cwz n HIS 42 N -4.89 0.00 0.00 1.91 8.25 -0.70 -1.17 115.22 118.62 2cwz n HIS 42 Ca 0.06 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 2cwz n HIS 42 Cb 0.16 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2cwz n HIS 42 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2cwz n GLU 44 N 1.20 0.00 -0.04 -0.41 1.02 -0.12 -0.97 120.64 121.32 2cwz n GLU 44 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2cwz n GLU 44 Cb 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.63 2cwz n GLU 44 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2cwz h LEU 45 N 0.00 0.21 -0.84 -4.62 5.85 -1.39 -0.65 115.31 113.86 2cwz h LEU 45 Ca 0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2cwz h LEU 45 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2cwz h LEU 45 CO 0.00 0.31 0.39 0.00 -0.34 0.00 0.00 178.44 178.80 2cwz h ALA 46 N 0.91 1.09 -0.83 1.25 0.00 -1.34 -2.16 119.26 118.18 2cwz h ALA 46 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2cwz h ALA 46 Cb 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2cwz h ALA 46 CO -0.00 0.67 0.41 0.78 0.00 0.00 0.00 179.25 181.10 2cwz h GLY 47 N 1.21 1.27 1.73 0.00 0.00 -1.75 -2.35 103.07 103.17 2cwz h GLY 47 Ca 0.29 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 2cwz h GLY 47 CO -0.03 0.58 -0.29 -0.09 0.00 0.00 0.00 176.54 176.71 2cwz h ARG 48 N 1.18 0.32 0.00 4.80 2.43 -0.66 -2.13 114.38 120.31 2cwz h ARG 48 Ca 0.29 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2cwz h ARG 48 Cb 0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2cwz h ARG 48 CO -0.04 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.63 2cwz n LYS 49 N -4.12 0.18 0.06 0.20 5.02 -0.85 -2.06 118.16 116.59 2cwz n LYS 49 Ca -0.01 0.52 -0.21 0.00 -2.02 0.00 0.00 58.31 56.59 2cwz n LYS 49 Cb 0.40 -1.93 -0.12 0.00 -0.02 0.00 0.00 35.03 33.37 2cwz n LYS 49 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2cwz h ILE 50 N 0.00 1.31 0.00 -0.18 2.04 -1.29 -3.36 117.51 116.03 2cwz h ILE 50 Ca 0.00 -2.36 -0.18 0.00 1.00 0.00 0.00 64.86 63.33 2cwz h ILE 50 Cb 0.21 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 2cwz h ILE 50 CO 0.00 0.71 -1.12 0.16 0.00 0.00 0.00 178.15 177.91 2cwz h ILE 51 N 0.22 0.90 -0.75 -0.67 3.07 -1.47 -3.39 117.51 115.42 2cwz h ILE 51 Ca -0.16 -2.45 0.16 0.00 1.55 0.00 0.00 64.86 63.95 2cwz h ILE 51 Cb 1.77 2.37 -0.10 0.00 -0.27 0.00 0.00 36.82 40.58 2cwz h ILE 51 CO 0.21 0.51 0.24 -0.07 -1.05 0.00 0.00 178.15 177.99 2cwz h LEU 52 N 0.00 0.14 -0.26 0.16 3.38 -1.58 -0.32 115.31 116.83 2cwz h LEU 52 Ca -0.11 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cwz h LEU 52 Cb 1.63 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2cwz h LEU 52 CO 0.07 0.02 0.00 -2.65 0.09 0.00 0.00 178.44 175.97 2cwz n PRO 53 N -5.09 0.06 -0.00 1.13 -0.02 -1.26 -3.18 135.00 126.64 2cwz n PRO 53 Ca 0.15 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 2cwz n PRO 53 Cb 0.46 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2cwz n PRO 53 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2cwz n PHE 54 N -1.73 0.00 -1.96 6.00 3.72 -0.20 -5.00 117.46 118.29 2cwz n PHE 54 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 2cwz n PHE 54 Cb 0.16 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2cwz n PHE 54 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2cwz s LEU 55 N -2.74 4.37 0.32 4.37 1.43 -0.77 -0.93 118.68 124.73 2cwz s LEU 55 Ca 0.02 2.65 -0.03 0.00 -1.03 0.00 0.00 54.13 55.73 2cwz s LEU 55 Cb 0.06 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2cwz s LEU 55 CO 0.37 -0.78 0.56 -1.61 0.23 0.00 0.00 176.35 175.12 2cwz s GLU 56 N 0.51 3.58 0.03 1.70 2.02 -1.26 -4.91 118.70 120.37 2cwz s GLU 56 Ca 0.66 -0.09 -0.38 0.00 0.02 0.00 0.00 54.97 55.17 2cwz s GLU 56 Cb -0.43 -2.64 -0.19 0.00 0.10 0.00 0.00 34.13 30.97 2cwz s GLU 56 CO 0.36 0.17 1.04 -1.91 0.02 0.00 0.00 175.26 174.95 2cwz n GLU 57 N -1.26 0.14 0.00 1.61 2.13 -1.26 -1.05 120.64 120.96 2cwz n GLU 57 Ca -0.03 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2cwz n GLU 57 Cb 0.55 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2cwz n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cwz n GLY 58 N 1.66 1.84 3.90 8.31 0.00 -1.26 -5.04 105.19 114.60 2cwz n GLY 58 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2cwz n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwz s GLU 59 N -0.40 3.65 0.07 1.61 2.02 -0.21 -0.02 118.70 125.42 2cwz s GLU 59 Ca 0.00 0.12 -0.06 0.00 0.02 0.00 0.00 54.97 55.05 2cwz s GLU 59 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 2cwz s GLU 59 CO 0.00 0.09 0.12 -2.00 0.02 0.00 0.00 175.26 173.48 2cwz s GLU 60 N -3.85 0.74 -0.02 1.61 2.56 0.80 -4.64 118.70 115.91 2cwz s GLU 60 Ca 0.46 -1.00 0.07 0.00 0.00 0.00 0.00 54.97 54.49 2cwz s GLU 60 Cb -0.10 0.29 -0.02 0.00 2.00 0.00 0.00 34.13 36.30 2cwz s GLU 60 CO 0.33 -0.21 -0.22 0.20 -0.56 0.00 0.00 175.26 174.80 2cwz s GLY 61 N -2.78 1.06 -0.00 -1.50 0.00 -1.26 -1.02 107.32 101.82 2cwz s GLY 61 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.88 2cwz s GLY 61 CO -0.10 -0.77 -0.16 -0.26 0.00 0.00 0.00 173.10 171.81 2cwz s ILE 62 N -0.51 1.23 0.16 0.90 -4.36 -0.26 -4.96 121.20 113.41 2cwz s ILE 62 Ca 0.08 -0.71 -0.30 0.00 -0.26 0.00 0.00 60.65 59.45 2cwz s ILE 62 Cb -0.08 -1.03 -0.08 0.00 1.25 0.00 0.00 42.46 42.51 2cwz s ILE 62 CO -0.01 0.31 1.31 -0.83 0.24 0.00 0.00 174.94 175.96 2cwz s GLY 63 N -0.47 2.35 -0.01 6.27 0.00 -1.26 -0.94 107.32 113.27 2cwz s GLY 63 Ca 0.06 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.85 2cwz s GLY 63 CO -0.00 2.11 -0.00 -1.26 0.00 0.00 0.00 173.10 173.95 2cwz n SER 64 N 3.06 4.48 -3.75 1.64 2.88 -0.02 -4.89 113.62 117.02 2cwz n SER 64 Ca 0.08 -0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 2cwz n SER 64 Cb 0.43 0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.11 2cwz n SER 64 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2cwz s TYR 65 N -2.02 -0.30 -0.02 0.66 5.04 -0.91 -4.94 117.35 114.85 2cwz s TYR 65 Ca -0.01 0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 55.23 2cwz s TYR 65 Cb 0.00 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.44 2cwz s TYR 65 CO 0.03 -0.28 0.11 0.14 -1.34 0.00 0.00 175.55 174.21 2cwz s VAL 66 N -0.48 0.05 -0.13 3.14 -7.23 -1.26 -1.19 120.40 113.31 2cwz s VAL 66 Ca -0.06 -0.42 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2cwz s VAL 66 Cb -0.04 -0.30 0.04 0.00 0.56 0.00 0.00 36.38 36.64 2cwz s VAL 66 CO 0.02 -0.23 0.33 -0.70 -0.31 0.00 0.00 175.10 174.21 2cwz s GLU 67 N -0.77 0.36 -0.20 4.82 2.12 -0.54 -4.98 118.70 119.51 2cwz s GLU 67 Ca -0.09 0.50 -0.13 0.00 0.36 0.00 0.00 54.97 55.61 2cwz s GLU 67 Cb -0.05 0.12 0.06 0.00 0.26 0.00 0.00 34.13 34.52 2cwz s GLU 67 CO 0.01 -0.07 0.50 0.00 -0.54 0.00 0.00 175.26 175.16 2cwz s ALA 68 N 0.45 -1.30 -0.20 6.30 0.00 -1.26 -2.04 121.76 123.71 2cwz s ALA 68 Ca -0.02 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2cwz s ALA 68 Cb -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2cwz s ALA 68 CO -0.02 -0.28 -0.06 0.50 0.00 0.00 0.00 175.76 175.90 2cwz s ARG 69 N 1.09 3.39 -0.49 0.00 3.52 0.18 -4.98 118.95 121.66 2cwz s ARG 69 Ca -0.07 -0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 54.68 2cwz s ARG 69 Cb -0.06 -2.94 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 2cwz s ARG 69 CO -0.10 -0.11 0.83 -1.58 -0.81 0.00 0.00 175.30 173.52 2cwz s HIS 70 N 1.24 2.93 -0.13 5.12 5.65 -1.26 -2.27 115.29 126.56 2cwz s HIS 70 Ca 0.03 0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.37 2cwz s HIS 70 Cb -0.14 -3.80 -0.24 0.00 -1.18 0.00 0.00 32.58 27.22 2cwz s HIS 70 CO -0.02 -1.12 0.30 1.28 -0.65 0.00 0.00 174.74 174.53 2cwz n LEU 71 N 6.93 2.10 -4.17 8.88 4.77 0.33 -4.98 117.00 130.86 2cwz n LEU 71 Ca 0.01 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2cwz n LEU 71 Cb 0.48 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 2cwz n LEU 71 CO 0.60 0.74 -0.14 0.00 -1.33 0.00 0.00 177.39 177.26 2cwz s ALA 72 N -2.56 0.97 0.32 -1.18 0.00 -0.98 -4.97 121.76 113.37 2cwz s ALA 72 Ca -0.20 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.25 2cwz s ALA 72 Cb 0.07 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.51 2cwz s ALA 72 CO 0.76 -0.65 0.38 -1.12 0.00 0.00 0.00 175.76 175.12 2cwz s SER 73 N -3.16 5.75 -0.06 0.00 0.01 -1.26 -4.64 113.70 110.34 2cwz s SER 73 Ca 0.36 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.35 2cwz s SER 73 Cb 0.05 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 65.07 2cwz s SER 73 CO 0.13 -0.34 -0.02 0.00 0.41 0.00 0.00 173.24 173.43 2cwz s ALA 74 N -2.19 0.69 0.31 1.44 0.00 -1.26 -4.87 121.76 115.88 2cwz s ALA 74 Ca 0.41 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2cwz s ALA 74 Cb -0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.37 2cwz s ALA 74 CO 0.29 -0.26 0.65 -0.51 0.00 0.00 0.00 175.76 175.93 2cwz s LEU 75 N 1.49 4.02 0.26 0.00 1.43 -1.26 -1.40 118.68 123.22 2cwz s LEU 75 Ca -0.02 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.79 2cwz s LEU 75 Cb -0.13 -3.83 -0.13 0.00 0.03 0.00 0.00 46.19 42.12 2cwz s LEU 75 CO -0.03 -0.23 1.31 -2.65 0.23 0.00 0.00 176.35 174.98 2cwz n PRO 76 N -0.72 1.88 -0.21 1.29 -0.02 -1.26 -4.64 135.00 131.31 2cwz n PRO 76 Ca 0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2cwz n PRO 76 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2cwz n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwz n GLY 77 N 1.76 0.56 3.26 -1.23 0.00 0.22 -4.96 105.19 104.80 2cwz n GLY 77 Ca 0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2cwz n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cwz s ARG 79 N 0.36 1.18 -0.00 1.61 0.52 -1.26 -4.72 118.95 116.63 2cwz s ARG 79 Ca 0.00 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2cwz s ARG 79 Cb 0.00 -1.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.10 2cwz s ARG 79 CO 0.00 0.33 -0.07 0.08 0.02 0.00 0.00 175.30 175.66 2cwz s VAL 80 N -1.03 0.55 -0.10 3.52 1.01 0.24 -0.41 120.40 124.18 2cwz s VAL 80 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2cwz s VAL 80 Cb -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.83 2cwz s VAL 80 CO 0.03 0.12 -0.13 -0.60 0.00 0.00 0.00 175.10 174.52 2cwz s ARG 81 N -0.25 1.95 -0.19 2.72 3.52 -0.45 -1.47 118.95 124.78 2cwz s ARG 81 Ca 0.02 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.12 2cwz s ARG 81 Cb -0.03 -1.69 -0.02 0.00 -1.56 0.00 0.00 34.95 31.65 2cwz s ARG 81 CO -0.00 -0.07 -0.04 0.08 -0.81 0.00 0.00 175.30 174.46 2cwz s VAL 82 N 1.01 3.59 -0.20 7.11 1.01 0.49 -0.89 120.40 132.52 2cwz s VAL 82 Ca -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2cwz s VAL 82 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 2cwz s VAL 82 CO -0.01 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 2cwz s VAL 83 N 0.95 3.08 -0.09 2.92 1.01 0.82 -1.18 120.40 127.91 2cwz s VAL 83 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2cwz s VAL 83 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2cwz s VAL 83 CO 0.01 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.57 2cwz s ALA 84 N 1.30 3.27 -0.07 5.51 0.00 -0.21 -1.40 121.76 130.16 2cwz s ALA 84 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2cwz s ALA 84 Cb -0.14 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.51 2cwz s ALA 84 CO -0.04 0.57 -0.09 0.50 0.00 0.00 0.00 175.76 176.70 2cwz s ARG 85 N -0.82 1.40 -0.06 0.00 3.52 0.59 -1.61 118.95 121.96 2cwz s ARG 85 Ca 0.12 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 2cwz s ARG 85 Cb -0.11 -1.28 -0.05 0.00 -1.56 0.00 0.00 34.95 31.94 2cwz s ARG 85 CO 0.02 -0.07 1.62 -1.58 -0.81 0.00 0.00 175.30 174.48 2cwz s HIS 86 N 0.98 2.06 -0.18 5.12 5.65 0.42 -0.71 115.29 128.64 2cwz s HIS 86 Ca -0.09 0.26 -0.16 0.00 0.25 0.00 0.00 55.06 55.32 2cwz s HIS 86 Cb -0.15 -3.88 -0.11 0.00 -1.18 0.00 0.00 32.58 27.26 2cwz s HIS 86 CO 0.00 -3.68 0.01 -1.91 -0.65 0.00 0.00 174.74 168.51 2cwz n GLU 87 N 7.03 0.51 -3.59 2.88 2.13 0.13 -1.03 120.64 128.71 2cwz n GLU 87 Ca 0.17 0.54 -0.06 0.00 0.66 0.00 0.00 57.16 58.47 2cwz n GLU 87 Cb 0.43 -1.71 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 2cwz n GLU 87 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2cwz s LYS 88 N -2.32 0.82 -0.12 5.31 -2.85 -1.12 -4.72 119.74 114.74 2cwz s LYS 88 Ca -0.23 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 2cwz s LYS 88 Cb 0.04 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 2cwz s LYS 88 CO 0.42 -0.36 -0.12 0.99 0.10 0.00 0.00 175.35 176.38 2cwz s THR 89 N -3.02 1.30 -0.22 3.79 2.01 -1.26 -0.22 115.64 118.02 2cwz s THR 89 Ca 0.08 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2cwz s THR 89 Cb -0.01 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.30 2cwz s THR 89 CO -0.05 0.41 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.54 2cwz s GLU 90 N 1.39 2.43 7.86 4.92 2.02 -0.01 -4.96 118.70 132.35 2cwz s GLU 90 Ca 0.01 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.93 2cwz s GLU 90 Cb -0.13 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2cwz s GLU 90 CO -0.07 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.20 2cwz n GLY 91 N 4.55 3.54 1.38 -1.39 0.00 -1.26 -1.22 105.19 110.78 2cwz n GLY 91 Ca -0.16 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.85 2cwz n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwz n ASN 92 N 8.14 4.72 -4.33 1.61 6.94 -1.26 -4.93 115.26 126.14 2cwz n ASN 92 Ca 0.00 -3.01 -0.34 0.00 -0.02 0.00 0.00 54.58 51.21 2cwz n ASN 92 Cb 0.00 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 36.66 2cwz n ASN 92 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2cwz s ARG 93 N -2.83 3.39 -0.24 -3.83 3.52 -0.36 -0.09 118.95 118.51 2cwz s ARG 93 Ca 0.48 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 55.36 2cwz s ARG 93 Cb 0.38 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 2cwz s ARG 93 CO 0.12 -0.09 0.13 0.08 -0.81 0.00 0.00 175.30 174.73 2cwz s VAL 94 N 1.17 4.97 -0.18 7.11 1.01 0.56 -0.83 120.40 134.21 2cwz s VAL 94 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2cwz s VAL 94 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2cwz s VAL 94 CO -0.02 0.33 0.08 -0.31 0.00 0.00 0.00 175.10 175.19 2cwz s TYR 95 N 1.30 3.31 0.02 5.22 1.51 0.69 -1.54 117.35 127.86 2cwz s TYR 95 Ca 0.06 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 2cwz s TYR 95 Cb -0.14 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 2cwz s TYR 95 CO 0.06 0.22 -0.08 0.00 -1.11 0.00 0.00 175.55 174.63 2cwz s ALA 96 N 0.29 0.67 0.04 3.71 0.00 -0.63 -0.69 121.76 125.14 2cwz s ALA 96 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2cwz s ALA 96 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2cwz s ALA 96 CO -0.00 0.08 0.23 1.03 0.00 0.00 0.00 175.76 177.10 2cwz s ARG 97 N -0.96 3.49 0.02 0.00 1.81 0.12 -0.92 118.95 122.50 2cwz s ARG 97 Ca -0.03 -0.29 0.02 0.00 -1.72 0.00 0.00 55.73 53.71 2cwz s ARG 97 Cb -0.07 -3.04 -0.01 0.00 -0.45 0.00 0.00 34.95 31.38 2cwz s ARG 97 CO 0.00 0.62 -0.07 0.14 -0.68 0.00 0.00 175.30 175.32 2cwz s VAL 98 N -1.42 0.51 -0.02 3.52 -7.23 -0.22 -0.30 120.40 115.24 2cwz s VAL 98 Ca 0.32 -0.60 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2cwz s VAL 98 Cb -0.13 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.32 2cwz s VAL 98 CO 0.22 -0.08 0.07 -1.83 -0.31 0.00 0.00 175.10 173.18 2cwz s GLU 99 N -0.74 0.18 0.03 4.82 -1.05 -0.49 -0.26 118.70 121.19 2cwz s GLU 99 Ca -0.03 -0.07 0.05 0.00 -0.15 0.00 0.00 54.97 54.78 2cwz s GLU 99 Cb -0.05 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 2cwz s GLU 99 CO 0.00 -0.03 -0.14 0.00 0.95 0.00 0.00 175.26 176.04 2cwz s ALA 100 N -0.38 1.20 0.08 -0.84 0.00 0.28 -0.13 121.76 121.96 2cwz s ALA 100 Ca -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2cwz s ALA 100 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2cwz s ALA 100 CO 0.00 0.24 -0.14 0.71 0.00 0.00 0.00 175.76 176.57 2cwz s TYR 101 N -0.79 1.22 0.61 0.00 1.51 -0.07 -0.70 117.35 119.13 2cwz s TYR 101 Ca 0.02 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 2cwz s TYR 101 Cb -0.08 -0.68 0.09 0.00 -0.11 0.00 0.00 41.96 41.18 2cwz s TYR 101 CO 0.01 0.06 0.84 0.54 -1.11 0.00 0.00 175.55 175.89 2cwz s ASN 102 N -1.84 4.91 0.45 2.29 2.20 -0.70 -1.33 114.94 120.91 2cwz s ASN 102 Ca -0.01 -0.56 0.20 0.00 -0.94 0.00 0.00 52.86 51.56 2cwz s ASN 102 Cb -0.09 -0.02 1.17 0.00 -2.00 0.00 0.00 41.25 40.31 2cwz s ASN 102 CO 0.02 -1.45 1.87 -0.08 -2.94 0.00 0.00 177.10 174.52 2cwz h GLU 103 N -0.03 0.30 0.00 3.55 4.81 -1.09 0.11 114.58 122.23 2cwz h GLU 103 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2cwz h GLU 103 Cb 1.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2cwz h GLU 103 CO 0.42 0.20 0.00 1.28 -0.73 0.00 0.00 179.01 180.18 2cwz n LEU 104 N -4.46 0.00 0.00 1.64 4.77 -1.26 -4.88 117.00 112.80 2cwz n LEU 104 Ca 0.18 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2cwz n LEU 104 Cb 0.73 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2cwz n LEU 104 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2cwz n GLY 105 N 1.19 0.66 3.77 -0.72 0.00 0.38 -5.05 105.19 105.41 2cwz n GLY 105 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2cwz n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cwz s ASP 106 N -2.99 6.27 -0.52 1.61 1.01 -1.26 -4.74 116.67 116.05 2cwz s ASP 106 Ca 0.00 2.51 -0.28 0.00 0.71 0.00 0.00 52.55 55.50 2cwz s ASP 106 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.34 2cwz s ASP 106 CO 0.00 -0.86 1.11 -0.22 0.21 0.00 0.00 175.17 175.41 2cwz s LEU 107 N -2.62 3.66 0.14 1.23 2.96 -1.26 -1.72 118.68 121.07 2cwz s LEU 107 Ca 0.59 0.19 0.23 0.00 -0.22 0.00 0.00 54.13 54.92 2cwz s LEU 107 Cb -0.35 -3.27 0.04 0.00 0.50 0.00 0.00 46.19 43.11 2cwz s LEU 107 CO 0.43 -1.31 1.03 2.30 -1.32 0.00 0.00 176.35 177.49 2cwz n ILE 108 N 6.65 0.43 -3.57 6.68 -5.35 0.13 -3.78 119.36 120.55 2cwz n ILE 108 Ca 0.09 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 2cwz n ILE 108 Cb 0.49 -0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 38.18 2cwz n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cwz s GLY 109 N -4.12 -0.30 0.02 3.28 0.00 -1.15 -0.51 107.32 104.54 2cwz s GLY 109 Ca 0.01 1.89 0.02 0.00 0.00 0.00 0.00 44.72 46.63 2cwz s GLY 109 CO 0.79 0.95 -0.06 -1.34 0.00 0.00 0.00 173.10 173.44 2cwz s VAL 110 N -1.33 0.44 0.00 1.40 -7.23 -0.96 -0.56 120.40 112.17 2cwz s VAL 110 Ca -0.01 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2cwz s VAL 110 Cb -0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.47 2cwz s VAL 110 CO 0.01 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2cwz n GLY 111 N 2.12 1.89 3.33 2.32 0.00 0.64 -0.65 105.19 114.83 2cwz n GLY 111 Ca -0.18 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2cwz n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cwz s ARG 112 N 0.01 0.96 0.06 1.61 0.52 -0.87 -1.05 118.95 120.18 2cwz s ARG 112 Ca 0.00 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2cwz s ARG 112 Cb 0.00 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 2cwz s ARG 112 CO 0.00 -0.34 -0.02 0.95 0.02 0.00 0.00 175.30 175.91 2cwz s THR 113 N -2.73 0.21 -0.03 0.02 -4.23 -0.10 -1.47 115.64 107.32 2cwz s THR 113 Ca -0.04 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2cwz s THR 113 Cb -0.00 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.31 2cwz s THR 113 CO -0.04 -0.96 -0.06 -1.61 -0.54 0.00 0.00 174.62 171.42 2cwz s GLU 114 N -3.92 0.73 0.03 3.99 2.02 -0.33 -1.61 118.70 119.61 2cwz s GLU 114 Ca 0.08 -0.17 0.06 0.00 0.02 0.00 0.00 54.97 54.96 2cwz s GLU 114 Cb 0.08 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 2cwz s GLU 114 CO -0.09 0.02 -0.16 -0.65 0.02 0.00 0.00 175.26 174.39 2cwz s GLN 115 N 0.47 1.13 -0.13 1.61 -0.21 -0.59 -0.84 119.66 121.09 2cwz s GLN 115 Ca -0.06 -0.78 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 2cwz s GLN 115 Cb -0.10 -1.17 -0.03 0.00 1.00 0.00 0.00 33.01 32.72 2cwz s GLN 115 CO 0.00 0.30 -0.05 0.08 -2.12 0.00 0.00 175.29 173.50 2cwz s VAL 116 N -0.75 3.82 -0.23 1.09 1.01 -0.11 -0.33 120.40 124.90 2cwz s VAL 116 Ca 0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2cwz s VAL 116 Cb -0.08 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2cwz s VAL 116 CO 0.01 0.52 0.24 -0.63 0.00 0.00 0.00 175.10 175.24 2cwz s ILE 117 N 0.08 5.31 0.08 2.22 -1.09 0.87 -1.10 121.20 127.56 2cwz s ILE 117 Ca -0.01 0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2cwz s ILE 117 Cb -0.14 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2cwz s ILE 117 CO 0.03 0.31 0.14 -0.76 -1.23 0.00 0.00 174.94 173.43 2cwz s LEU 118 N 1.17 1.66 0.38 2.97 1.43 -0.19 -4.85 118.68 121.25 2cwz s LEU 118 Ca 0.11 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 2cwz s LEU 118 Cb -0.14 0.84 -0.10 0.00 0.03 0.00 0.00 46.19 46.83 2cwz s LEU 118 CO 0.06 -0.69 1.37 -2.84 0.23 0.00 0.00 176.35 174.47 2cwz s PRO 119 N -3.80 4.10 0.45 1.29 0.02 -1.26 -0.14 135.00 135.66 2cwz s PRO 119 Ca 0.05 2.32 0.16 0.00 0.02 0.00 0.00 61.00 63.55 2cwz s PRO 119 Cb 0.05 -2.91 1.10 0.00 0.02 0.00 0.00 34.50 32.76 2cwz s PRO 119 CO -0.10 -0.44 1.97 0.87 -0.33 0.00 0.00 177.00 178.97 2cwz h LYS 120 N 2.96 0.33 -0.71 5.54 1.57 -0.70 -0.01 116.57 125.54 2cwz h LYS 120 Ca -0.50 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2cwz h LYS 120 Cb 1.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2cwz h LYS 120 CO 0.64 0.22 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 2cwz h ALA 121 N 1.69 1.09 -0.47 3.86 0.00 -1.89 -1.19 119.26 122.34 2cwz h ALA 121 Ca 0.30 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2cwz h ALA 121 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2cwz h ALA 121 CO -0.08 0.63 -0.05 -0.22 0.00 0.00 0.00 179.25 179.53 2cwz h LYS 122 N 1.04 0.87 -0.26 0.00 1.63 -1.37 -0.97 116.57 117.51 2cwz h LYS 122 Ca 0.23 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2cwz h LYS 122 Cb 0.26 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2cwz h LYS 122 CO -0.01 0.94 0.13 0.28 -3.45 0.00 0.00 179.45 177.34 2cwz h VAL 123 N 0.72 1.14 -0.73 2.00 2.07 -1.08 -1.09 116.25 119.28 2cwz h VAL 123 Ca 0.13 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2cwz h VAL 123 Cb 0.58 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2cwz h VAL 123 CO 0.03 0.14 0.37 -0.33 0.02 0.00 0.00 177.57 177.81 2cwz h GLU 124 N 0.29 1.03 -0.53 1.57 5.08 -1.12 -2.13 114.58 118.77 2cwz h GLU 124 Ca 0.09 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2cwz h GLU 124 Cb 0.10 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2cwz h GLU 124 CO -0.01 0.78 0.04 0.00 -1.00 0.00 0.00 179.01 178.82 2cwz h ALA 125 N 1.38 1.07 -0.33 3.43 0.00 -0.78 0.08 119.26 124.10 2cwz h ALA 125 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2cwz h ALA 125 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2cwz h ALA 125 CO -0.04 0.59 0.07 -0.07 0.00 0.00 0.00 179.25 179.80 2cwz h LEU 126 N 0.82 0.51 -0.84 0.00 3.38 -0.64 -0.29 115.31 118.24 2cwz h LEU 126 Ca 0.16 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2cwz h LEU 126 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2cwz h LEU 126 CO 0.02 0.63 -0.32 -0.26 0.09 0.00 0.00 178.44 178.60 2cwz h PHE 127 N 0.38 0.56 -0.36 1.13 0.04 -1.21 -2.57 116.94 114.91 2cwz h PHE 127 Ca 0.10 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 2cwz h PHE 127 Cb 0.32 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2cwz h PHE 127 CO 0.02 0.75 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.37 2cwz h ARG 128 N 0.42 0.66 -0.93 1.51 2.43 -0.75 -1.90 114.38 115.81 2cwz h ARG 128 Ca 0.05 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2cwz h ARG 128 Cb 0.76 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 2cwz h ARG 128 CO 0.06 0.78 0.57 -0.09 -1.51 0.00 0.00 179.97 179.78 2cwz h ARG 129 N 0.47 1.26 -0.63 0.20 9.65 -0.95 -0.83 114.38 123.54 2cwz h ARG 129 Ca 0.10 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2cwz h ARG 129 Cb 0.50 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 2cwz h ARG 129 CO 0.02 0.87 0.23 1.25 2.80 0.00 0.00 179.97 185.15 2cwz h LEU 130 N 1.28 0.89 -0.80 3.80 5.85 -1.27 -1.81 115.31 123.25 2cwz h LEU 130 Ca 0.34 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2cwz h LEU 130 Cb -0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2cwz h LEU 130 CO -0.07 0.83 -0.20 0.50 -0.34 0.00 0.00 178.44 179.17 2cwz h LYS 131 N 0.89 0.69 -0.42 1.25 3.64 -0.81 -1.80 116.57 120.02 2cwz h LYS 131 Ca 0.21 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2cwz h LYS 131 Cb 0.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2cwz h LYS 131 CO -0.01 0.84 -0.07 0.93 -2.27 0.00 0.00 179.45 178.87 2cwz h GLU 132 N 0.61 0.71 -0.38 1.90 5.08 -0.88 -0.38 114.58 121.24 2cwz h GLU 132 Ca 0.09 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2cwz h GLU 132 Cb 0.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2cwz h GLU 132 CO 0.05 0.77 -0.27 0.00 -1.00 0.00 0.00 179.01 178.56 2cwz h ARG 133 N 0.66 0.79 -0.27 2.33 3.08 -1.04 -1.23 114.38 118.69 2cwz h ARG 133 Ca 0.12 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2cwz h ARG 133 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2cwz h ARG 133 CO 0.03 0.97 0.05 2.35 -1.07 0.00 0.00 179.97 182.29 2cwz h TRP 134 N 0.68 0.48 -0.36 3.04 7.01 -0.90 -2.72 115.95 123.18 2cwz h TRP 134 Ca 0.08 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2cwz h TRP 134 Cb 0.80 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 2cwz h TRP 134 CO 0.04 0.55 0.19 0.93 -2.79 0.00 0.00 178.44 177.36 2cwz h GLU 135 N 0.27 0.50 0.00 2.65 5.08 -0.92 -1.65 114.58 120.51 2cwz h GLU 135 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2cwz h GLU 135 Cb 0.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2cwz h GLU 135 CO 0.00 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 2cwz h ALA 136 N 1.70 1.00 0.00 3.43 0.00 -0.89 0.19 119.26 124.70 2cwz h ALA 136 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cwz h ALA 136 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cwz h ALA 136 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 2cwz n GLU 137 N -2.60 0.14 0.00 0.00 -0.58 -0.62 -5.10 120.64 111.87 2cwz n GLU 137 Ca -0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2cwz n GLU 137 Cb 0.07 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 2cwz n GLU 137 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19