#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 4.14 -0.10 5.56 0.04 -1.26 -4.86 135.00 138.52 2cwz s PRO 3 Ca 0.00 2.57 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 2cwz s PRO 3 Cb 0.00 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2cwz s PRO 3 CO 0.00 -0.71 0.65 0.42 0.04 0.00 0.00 177.00 177.40 2cwz s ILE 4 N 0.94 5.07 0.44 0.56 1.01 -1.26 -5.03 121.20 122.93 2cwz s ILE 4 Ca 0.72 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 2cwz s ILE 4 Cb -0.48 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 2cwz s ILE 4 CO 0.35 0.24 1.42 -2.84 0.00 0.00 0.00 174.94 174.11 2cwz s PRO 5 N 0.95 3.76 0.22 2.79 0.02 -1.26 -4.91 135.00 136.56 2cwz s PRO 5 Ca 0.34 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 2cwz s PRO 5 Cb -0.17 -2.70 -0.11 0.00 0.02 0.00 0.00 34.50 31.55 2cwz s PRO 5 CO 0.15 -0.75 1.56 -2.00 -0.33 0.00 0.00 177.00 175.63 2cwz s GLU 6 N -2.39 4.20 0.00 5.54 2.12 -1.26 -1.66 118.70 125.24 2cwz s GLU 6 Ca 0.60 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.35 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 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2cwz n GLY 7 N 3.08 0.87 3.68 -1.50 0.00 -0.01 -5.00 105.19 106.32 2cwz n GLY 7 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.06 2.38 -4.46 1.61 9.36 -0.67 -4.51 117.16 118.82 2cwz n TYR 8 Ca 0.00 0.27 -0.30 0.00 3.32 0.00 0.00 57.90 61.19 2cwz n TYR 8 Cb 0.00 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.04 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 0.54 1.72 0.04 2.98 2.02 -1.26 -0.40 118.70 124.35 2cwz s GLU 9 Ca 0.75 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 54.58 2cwz s GLU 9 Cb -0.63 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2cwz s GLU 9 CO 0.40 0.49 -0.10 0.00 0.02 0.00 0.00 175.26 176.07 2cwz s ALA 10 N -1.04 0.76 0.07 5.21 0.00 -0.63 -4.99 121.76 121.13 2cwz s ALA 10 Ca 0.15 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.46 2cwz s ALA 10 Cb -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2cwz s ALA 10 CO 0.07 0.08 -0.16 0.08 0.00 0.00 0.00 175.76 175.84 2cwz s VAL 11 N -1.01 1.24 -0.07 0.00 1.01 -1.26 -1.14 120.40 119.17 2cwz s VAL 11 Ca -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2cwz s VAL 11 Cb -0.08 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2cwz s VAL 11 CO 0.01 -0.11 -0.09 0.12 0.00 0.00 0.00 175.10 175.02 2cwz s PHE 12 N -1.11 1.29 0.04 5.22 5.36 -0.26 -4.94 117.98 123.58 2cwz s PHE 12 Ca 0.01 -0.50 0.08 0.00 -0.96 0.00 0.00 56.93 55.55 2cwz s PHE 12 Cb -0.09 -1.01 -0.03 0.00 -0.34 0.00 0.00 43.02 41.55 2cwz s PHE 12 CO 0.02 -0.31 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.05 2cwz s GLU 13 N 0.97 1.43 0.38 10.12 2.02 -1.26 -0.35 118.70 132.01 2cwz s GLU 13 Ca -0.09 -0.97 -0.13 0.00 0.02 0.00 0.00 54.97 53.80 2cwz s GLU 13 Cb -0.15 -1.56 0.05 0.00 0.10 0.00 0.00 34.13 32.58 2cwz s GLU 13 CO 0.00 0.40 0.74 -2.37 0.02 0.00 0.00 175.26 174.05 2cwz n THR 14 N 1.82 0.00 -5.15 3.63 5.66 -0.51 -5.00 114.28 114.73 2cwz n THR 14 Ca -0.17 -1.05 -0.31 0.00 -3.05 0.00 0.00 64.05 59.47 2cwz n THR 14 Cb 0.53 0.98 -0.17 0.00 -1.55 0.00 0.00 70.33 70.12 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 -2.19 1.95 0.10 1.08 1.01 -1.26 -0.41 120.40 120.67 2cwz s VAL 15 Ca 0.17 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 2cwz s VAL 15 Cb -0.04 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2cwz s VAL 15 CO 0.13 0.54 1.64 -0.69 0.00 0.00 0.00 175.10 176.71 2cwz s VAL 16 N 0.29 2.88 0.29 2.92 1.01 -1.26 -4.86 120.40 121.67 2cwz s VAL 16 Ca -0.16 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.35 2cwz s VAL 16 Cb -0.17 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2cwz s VAL 16 CO 0.08 0.01 0.11 0.42 0.00 0.00 0.00 175.10 175.71 2cwz s THR 17 N 2.21 3.58 0.53 3.92 -4.23 -1.26 0.57 115.64 120.96 2cwz s THR 17 Ca 0.73 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 59.80 2cwz s THR 17 Cb -0.41 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 70.77 2cwz s THR 17 CO 0.32 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.46 2cwz h PRO 18 N 1.65 0.00 -2.37 3.99 0.11 -1.96 -3.33 132.00 130.09 2cwz h PRO 18 Ca -0.45 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2cwz h PRO 18 Cb 1.25 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2cwz h PRO 18 CO 0.61 0.00 0.07 0.39 -0.21 0.00 0.00 178.00 178.86 2cwz n GLU 19 N -4.39 0.75 -1.16 1.05 4.71 -1.26 -4.92 120.64 115.43 2cwz n GLU 19 Ca 0.09 -0.30 0.12 0.00 -0.01 0.00 0.00 57.16 57.06 2cwz n GLU 19 Cb 0.56 -1.58 -0.06 0.00 -1.01 0.00 0.00 31.44 29.36 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 2.44 -0.29 -1.88 2.62 -2.24 -1.25 -5.02 114.28 108.67 2cwz n THR 21 Ca 0.13 0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 61.97 2cwz n THR 21 Cb 0.35 -0.81 -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 -3.80 3.32 -0.15 2.28 1.01 -0.80 -4.63 120.40 117.63 2cwz s VAL 22 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 2cwz s VAL 22 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2cwz s VAL 22 CO 0.00 -0.33 0.32 -0.60 0.00 0.00 0.00 175.10 174.48 2cwz s ARG 23 N 6.15 0.22 0.26 2.72 3.52 -1.26 -0.82 118.95 129.74 2cwz s ARG 23 Ca 0.85 0.82 0.08 0.00 -0.13 0.00 0.00 55.73 57.35 2cwz s ARG 23 Cb -0.24 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 2cwz s ARG 23 CO 0.32 -0.26 0.09 -0.06 -0.81 0.00 0.00 175.30 174.58 2cwz s PHE 24 N 2.32 2.89 0.50 5.12 0.08 -0.73 -4.93 117.98 123.24 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 -0.08 0.00 -0.57 0.00 0.00 43.02 40.97 2cwz s PHE 24 CO -0.10 0.57 1.07 -1.21 -0.10 0.00 0.00 175.22 175.45 2cwz s GLU 25 N -3.75 3.67 0.00 0.44 8.01 -1.26 -0.70 118.70 125.11 2cwz s GLU 25 Ca 0.32 1.46 0.00 0.00 0.01 0.00 0.00 54.97 56.76 2cwz s GLU 25 Cb -0.07 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 2cwz s GLU 25 CO 0.22 -0.56 0.00 0.39 0.01 0.00 0.00 175.26 175.32 2cwz n GLU 26 N -1.04 0.00 0.04 1.61 1.02 -1.26 -4.41 120.64 116.60 2cwz n GLU 26 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 2cwz n GLU 26 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.81 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 0.10 0.00 -4.62 3.38 -2.00 -3.50 115.31 108.67 2cwz h LEU 27 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cwz h LEU 27 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2cwz h LEU 27 CO 0.00 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2cwz n GLY 28 N 1.47 -1.76 3.77 0.83 0.00 0.13 -4.90 105.19 104.72 2cwz n GLY 28 Ca -0.07 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2cwz n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cwz s PRO 29 N 0.00 4.17 0.06 1.61 0.04 -1.26 -1.77 135.00 137.85 2cwz s PRO 29 Ca 0.00 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2cwz s PRO 29 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2cwz s PRO 29 CO 0.00 -0.46 0.00 0.28 0.04 0.00 0.00 177.00 176.86 2cwz n VAL 30 N 0.77 0.67 -4.18 -0.36 0.31 0.00 -4.94 118.33 110.60 2cwz n VAL 30 Ca 0.02 0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 64.38 2cwz n VAL 30 Cb 0.40 -1.52 -0.16 0.00 -0.91 0.00 0.00 33.84 31.65 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 0.66 0.00 3.52 3.76 -1.15 -5.05 115.29 115.04 2cwz s HIS 31 Ca 0.00 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2cwz s HIS 31 Cb 0.00 -0.54 -0.05 0.00 1.11 0.00 0.00 32.58 33.09 2cwz s HIS 31 CO 0.00 -0.12 2.09 -0.35 -0.85 0.00 0.00 174.74 175.52 2cwz n PRO 32 N 3.62 1.08 -4.19 8.40 -0.04 -1.26 -1.90 135.00 140.72 2cwz n PRO 32 Ca -0.21 -0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 62.93 2cwz n PRO 32 Cb 0.53 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.48 0.53 -0.30 0.52 -7.23 -1.26 -4.47 120.40 108.66 2cwz s VAL 33 Ca 0.13 -1.94 -0.39 0.00 -1.81 0.00 0.00 61.98 57.98 2cwz s VAL 33 Cb 0.06 -1.92 -0.15 0.00 0.56 0.00 0.00 36.38 34.94 2cwz s VAL 33 CO 0.00 -0.64 1.85 0.00 -0.31 0.00 0.00 175.10 175.99 2cwz n TYR 34 N -0.12 1.95 -2.42 2.82 9.36 -0.45 -2.45 117.16 125.86 2cwz n TYR 34 Ca -0.09 0.48 -0.35 0.00 3.32 0.00 0.00 57.90 61.26 2cwz n TYR 34 Cb 0.62 -2.47 -0.02 0.00 -0.63 0.00 0.00 39.34 36.84 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 4.34 2.87 0.20 2.98 0.00 -1.26 -4.77 121.76 126.12 2cwz s ALA 35 Ca 1.01 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 2cwz s ALA 35 Cb -1.04 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 18.92 2cwz s ALA 35 CO 0.63 -0.48 1.86 1.15 0.00 0.00 0.00 175.76 178.92 2cwz h THR 36 N 1.61 1.15 0.00 0.00 2.02 -1.97 -1.86 112.91 113.87 2cwz h THR 36 Ca -0.49 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2cwz h THR 36 Cb 1.24 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2cwz h THR 36 CO 0.59 0.17 -0.11 0.10 0.37 0.00 0.00 175.52 176.64 2cwz h TYR 37 N 0.92 0.00 0.00 3.16 -0.00 -2.00 -0.30 116.97 118.75 2cwz h TYR 37 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.00 2cwz h TYR 37 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 2cwz h TYR 37 CO -0.03 0.11 0.00 0.91 -0.00 0.00 0.00 178.16 179.15 2cwz n TRP 38 N -3.36 0.00 0.00 0.10 7.02 -0.70 -2.09 117.44 118.40 2cwz n TRP 38 Ca -0.01 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 55.95 2cwz n TRP 38 Cb 0.29 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 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 0.65 0.00 -0.13 -0.99 0.31 -0.13 -1.76 118.33 116.28 2cwz n VAL 40 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2cwz n VAL 40 Cb 0.47 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.42 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 0.46 -1.74 5.55 3.64 -1.69 -0.87 116.57 121.92 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 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2cwz h LYS 41 CO 0.00 0.30 0.00 0.72 -2.27 0.00 0.00 179.45 178.20 2cwz n HIS 42 N -4.87 0.00 0.00 1.91 8.25 -0.72 -1.21 115.22 118.57 2cwz n HIS 42 Ca 0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 2cwz n HIS 42 Cb 0.08 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 1.24 0.00 0.01 -0.41 1.02 -0.33 -1.23 120.64 120.94 2cwz n GLU 44 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2cwz n GLU 44 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.61 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 0.05 -1.00 -4.62 5.85 -1.41 -0.03 115.31 114.15 2cwz h LEU 45 Ca 0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2cwz h LEU 45 Cb 0.00 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2cwz h LEU 45 CO 0.00 0.15 0.46 0.00 -0.34 0.00 0.00 178.44 178.71 2cwz h ALA 46 N 0.90 1.23 -0.79 1.25 0.00 -1.45 -1.88 119.26 118.53 2cwz h ALA 46 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2cwz h ALA 46 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2cwz h ALA 46 CO -0.00 0.62 0.31 0.78 0.00 0.00 0.00 179.25 180.96 2cwz h GLY 47 N 1.18 1.27 1.50 0.00 0.00 -1.74 -2.53 103.07 102.75 2cwz h GLY 47 Ca 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2cwz h GLY 47 CO -0.05 0.65 -0.13 -0.09 0.00 0.00 0.00 176.54 176.92 2cwz h ARG 48 N 1.15 0.60 0.00 4.80 2.43 -0.40 -2.03 114.38 120.93 2cwz h ARG 48 Ca 0.26 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2cwz h ARG 48 Cb 0.22 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2cwz h ARG 48 CO -0.02 0.71 0.00 0.87 -1.51 0.00 0.00 179.97 180.02 2cwz h LYS 49 N 0.55 0.00 -0.10 0.20 1.57 -0.92 -1.79 116.57 116.07 2cwz h LYS 49 Ca 0.10 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 2cwz h LYS 49 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 2cwz h LYS 49 CO 0.03 0.00 -0.83 0.82 -0.57 0.00 0.00 179.45 178.91 2cwz h ILE 50 N 0.00 1.29 0.00 1.86 2.04 -1.27 -3.35 117.51 118.07 2cwz h ILE 50 Ca 0.00 -2.04 -0.20 0.00 1.00 0.00 0.00 64.86 63.62 2cwz h ILE 50 Cb 0.10 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2cwz h ILE 50 CO 0.00 0.64 -1.15 0.16 0.00 0.00 0.00 178.15 177.80 2cwz h ILE 51 N 0.44 1.04 -0.78 -0.67 3.07 -1.40 -3.39 117.51 115.83 2cwz h ILE 51 Ca -0.08 -2.66 0.18 0.00 1.55 0.00 0.00 64.86 63.85 2cwz h ILE 51 Cb 1.47 2.47 -0.12 0.00 -0.27 0.00 0.00 36.82 40.37 2cwz h ILE 51 CO 0.17 0.59 0.22 -0.07 -1.05 0.00 0.00 178.15 178.01 2cwz h LEU 52 N 0.00 0.06 -0.53 0.16 3.38 -1.56 -0.01 115.31 116.82 2cwz h LEU 52 Ca -0.11 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2cwz h LEU 52 Cb 1.70 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2cwz h LEU 52 CO 0.08 -0.04 0.00 -2.65 0.09 0.00 0.00 178.44 175.92 2cwz n PRO 53 N -5.14 0.12 -0.00 1.13 -0.02 -1.26 -3.17 135.00 126.66 2cwz n PRO 53 Ca 0.16 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 2cwz n PRO 53 Cb 0.51 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.98 0.00 -2.05 6.00 3.72 -0.09 -5.00 117.46 118.06 2cwz n PHE 54 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 2cwz n PHE 54 Cb 0.18 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.75 4.39 0.53 4.37 1.43 -0.74 -1.12 118.68 124.80 2cwz s LEU 55 Ca 0.02 2.65 -0.01 0.00 -1.03 0.00 0.00 54.13 55.76 2cwz s LEU 55 Cb 0.08 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.69 2cwz s LEU 55 CO 0.43 -0.66 0.77 -1.61 0.23 0.00 0.00 176.35 175.51 2cwz s GLU 56 N -0.57 2.76 0.10 1.70 2.02 -1.26 -4.92 118.70 118.53 2cwz s GLU 56 Ca 0.57 -0.52 -0.35 0.00 0.02 0.00 0.00 54.97 54.69 2cwz s GLU 56 Cb -0.41 -2.46 -0.15 0.00 0.10 0.00 0.00 34.13 31.22 2cwz s GLU 56 CO 0.44 -0.59 1.53 -1.91 0.02 0.00 0.00 175.26 174.75 2cwz n GLU 57 N -2.33 1.78 -0.36 1.61 4.07 -1.26 -1.07 120.64 123.08 2cwz n GLU 57 Ca 0.05 0.64 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2cwz n GLU 57 Cb 0.59 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 2cwz n GLU 57 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2cwz n GLY 58 N 3.23 1.46 3.90 8.31 0.00 -1.26 -5.04 105.19 115.79 2cwz n GLY 58 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 3.65 0.07 1.61 2.02 -0.23 0.32 118.70 125.83 2cwz s GLU 59 Ca 0.00 0.03 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 2cwz s GLU 59 Cb 0.00 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 2cwz s GLU 59 CO 0.00 0.24 0.13 -2.00 0.02 0.00 0.00 175.26 173.65 2cwz s GLU 60 N -3.42 0.75 -0.02 1.61 2.56 0.80 -4.67 118.70 116.32 2cwz s GLU 60 Ca 0.44 -0.97 0.07 0.00 0.00 0.00 0.00 54.97 54.51 2cwz s GLU 60 Cb -0.11 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.30 2cwz s GLU 60 CO 0.29 -0.21 -0.21 0.20 -0.56 0.00 0.00 175.26 174.76 2cwz s GLY 61 N -2.73 1.04 -0.00 -1.50 0.00 -1.26 -0.80 107.32 102.08 2cwz s GLY 61 Ca 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.89 2cwz s GLY 61 CO -0.10 -0.76 -0.17 -0.26 0.00 0.00 0.00 173.10 171.82 2cwz s ILE 62 N -0.49 1.33 0.12 0.90 -4.36 -0.31 -4.94 121.20 113.45 2cwz s ILE 62 Ca 0.08 -0.80 -0.31 0.00 -0.26 0.00 0.00 60.65 59.36 2cwz s ILE 62 Cb -0.08 -1.12 -0.08 0.00 1.25 0.00 0.00 42.46 42.42 2cwz s ILE 62 CO -0.01 0.31 1.37 -0.83 0.24 0.00 0.00 174.94 176.03 2cwz s GLY 63 N -0.57 2.03 -0.03 6.27 0.00 -1.26 -0.79 107.32 112.97 2cwz s GLY 63 Ca 0.06 1.10 0.02 0.00 0.00 0.00 0.00 44.72 45.90 2cwz s GLY 63 CO -0.00 2.31 0.00 -1.26 0.00 0.00 0.00 173.10 174.15 2cwz n SER 64 N 3.84 4.26 -3.68 1.64 2.88 0.04 -4.89 113.62 117.71 2cwz n SER 64 Ca 0.11 -0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.50 2cwz n SER 64 Cb 0.43 0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 64.25 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 -2.06 -0.47 -0.03 0.66 5.04 -1.00 -4.94 117.35 114.56 2cwz s TYR 65 Ca -0.02 0.97 -0.08 0.00 -2.44 0.00 0.00 57.07 55.51 2cwz s TYR 65 Cb 0.01 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.54 2cwz s TYR 65 CO 0.10 -0.38 0.18 0.54 -1.34 0.00 0.00 175.55 174.64 2cwz s VAL 66 N -0.55 0.05 -0.09 3.14 0.11 -1.26 -1.13 120.40 120.67 2cwz s VAL 66 Ca -0.07 -0.41 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2cwz s VAL 66 Cb -0.03 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2cwz s VAL 66 CO 0.04 -0.22 0.26 -0.70 -3.33 0.00 0.00 175.10 171.14 2cwz s GLU 67 N -0.81 0.34 -0.21 1.54 2.12 -0.48 -4.98 118.70 116.21 2cwz s GLU 67 Ca -0.09 0.28 -0.14 0.00 0.36 0.00 0.00 54.97 55.38 2cwz s GLU 67 Cb -0.05 0.16 0.06 0.00 0.26 0.00 0.00 34.13 34.57 2cwz s GLU 67 CO 0.01 -0.05 0.53 0.00 -0.54 0.00 0.00 175.26 175.22 2cwz s ALA 68 N -0.05 -1.39 -0.22 6.30 0.00 -1.26 -2.05 121.76 123.08 2cwz s ALA 68 Ca -0.02 1.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 2cwz s ALA 68 Cb -0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2cwz s ALA 68 CO 0.01 -0.30 -0.04 0.50 0.00 0.00 0.00 175.76 175.93 2cwz s ARG 69 N 1.21 3.40 -0.56 0.00 3.52 0.24 -4.98 118.95 121.78 2cwz s ARG 69 Ca -0.07 -0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 54.69 2cwz s ARG 69 Cb -0.06 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2cwz s ARG 69 CO -0.12 -0.18 0.86 -1.58 -0.81 0.00 0.00 175.30 173.47 2cwz s HIS 70 N 1.43 2.84 -0.09 5.12 5.65 -1.26 -2.11 115.29 126.88 2cwz s HIS 70 Ca 0.05 -0.27 -0.00 0.00 0.25 0.00 0.00 55.06 55.09 2cwz s HIS 70 Cb -0.14 -3.97 -0.25 0.00 -1.18 0.00 0.00 32.58 27.03 2cwz s HIS 70 CO -0.03 -1.32 0.47 1.28 -0.65 0.00 0.00 174.74 174.50 2cwz n LEU 71 N 7.15 2.04 -4.18 8.88 4.77 0.14 -4.98 117.00 130.83 2cwz n LEU 71 Ca -0.02 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2cwz n LEU 71 Cb 0.46 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2cwz n LEU 71 CO 0.61 0.70 -0.15 0.00 -1.33 0.00 0.00 177.39 177.22 2cwz s ALA 72 N -2.57 1.02 0.33 -1.18 0.00 -1.05 -4.97 121.76 113.34 2cwz s ALA 72 Ca -0.16 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.25 2cwz s ALA 72 Cb 0.07 1.34 -0.02 0.00 0.00 0.00 0.00 23.12 24.51 2cwz s ALA 72 CO 0.79 -0.65 0.36 -1.12 0.00 0.00 0.00 175.76 175.14 2cwz s SER 73 N -3.17 5.60 -0.05 0.00 0.01 -1.26 -4.64 113.70 110.19 2cwz s SER 73 Ca 0.36 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.28 2cwz s SER 73 Cb 0.05 -1.12 0.02 0.00 0.21 0.00 0.00 66.02 65.19 2cwz s SER 73 CO 0.14 -0.36 -0.05 0.00 0.41 0.00 0.00 173.24 173.38 2cwz s ALA 74 N -2.24 0.74 0.28 1.44 0.00 -1.26 -4.88 121.76 115.84 2cwz s ALA 74 Ca 0.42 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 2cwz s ALA 74 Cb -0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 2cwz s ALA 74 CO 0.28 -0.08 0.57 -0.51 0.00 0.00 0.00 175.76 176.02 2cwz s LEU 75 N 1.06 4.07 0.29 0.00 1.43 -1.26 -1.34 118.68 122.93 2cwz s LEU 75 Ca -0.09 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 2cwz s LEU 75 Cb -0.14 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 2cwz s LEU 75 CO -0.01 -0.18 1.33 -2.65 0.23 0.00 0.00 176.35 175.07 2cwz n PRO 76 N -0.76 2.04 -0.59 1.29 -0.02 -1.26 -4.65 135.00 131.05 2cwz n PRO 76 Ca -0.01 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2cwz n PRO 76 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.47 0.62 3.28 -1.23 0.00 0.19 -4.96 105.19 104.56 2cwz n GLY 77 Ca 0.08 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.16 1.23 -0.01 1.61 0.52 -1.26 -4.77 118.95 115.11 2cwz s ARG 79 Ca 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 2cwz s ARG 79 Cb 0.00 -1.46 -0.00 0.00 0.52 0.00 0.00 34.95 34.01 2cwz s ARG 79 CO 0.00 0.35 -0.06 0.08 0.02 0.00 0.00 175.30 175.69 2cwz s VAL 80 N -1.03 0.54 -0.10 3.52 1.01 0.45 -0.67 120.40 124.11 2cwz s VAL 80 Ca 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2cwz s VAL 80 Cb -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2cwz s VAL 80 CO 0.04 0.17 -0.17 -0.60 0.00 0.00 0.00 175.10 174.53 2cwz s ARG 81 N 0.03 2.33 -0.17 2.72 3.52 -0.40 -1.42 118.95 125.56 2cwz s ARG 81 Ca -0.00 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.97 2cwz s ARG 81 Cb -0.05 -1.90 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 2cwz s ARG 81 CO -0.00 0.02 -0.12 0.08 -0.81 0.00 0.00 175.30 174.47 2cwz s VAL 82 N 0.75 2.95 -0.20 7.11 1.01 0.52 -0.71 120.40 131.83 2cwz s VAL 82 Ca -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2cwz s VAL 82 Cb -0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2cwz s VAL 82 CO 0.02 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 2cwz s VAL 83 N 0.92 2.87 -0.10 2.92 1.01 0.62 -1.11 120.40 127.53 2cwz s VAL 83 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2cwz s VAL 83 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2cwz s VAL 83 CO -0.01 0.47 0.04 0.00 0.00 0.00 0.00 175.10 175.61 2cwz s ALA 84 N 1.29 3.46 -0.07 5.51 0.00 -0.29 -1.39 121.76 130.27 2cwz s ALA 84 Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2cwz s ALA 84 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.36 2cwz s ALA 84 CO -0.06 0.58 -0.11 0.50 0.00 0.00 0.00 175.76 176.68 2cwz s ARG 85 N -0.87 1.56 -0.13 0.00 3.52 0.88 -1.60 118.95 122.30 2cwz s ARG 85 Ca 0.13 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 2cwz s ARG 85 Cb -0.12 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.88 2cwz s ARG 85 CO 0.03 -0.02 1.68 -1.58 -0.81 0.00 0.00 175.30 174.59 2cwz s HIS 86 N 0.83 1.96 -0.18 5.12 5.65 0.47 -0.76 115.29 128.38 2cwz s HIS 86 Ca -0.12 0.34 -0.18 0.00 0.25 0.00 0.00 55.06 55.36 2cwz s HIS 86 Cb -0.15 -3.95 -0.15 0.00 -1.18 0.00 0.00 32.58 27.15 2cwz s HIS 86 CO 0.02 -3.53 0.16 1.49 -0.65 0.00 0.00 174.74 172.23 2cwz h GLU 87 N 10.38 0.00 -1.95 2.88 4.81 -1.33 0.02 114.58 129.40 2cwz h GLU 87 Ca -0.37 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2cwz h GLU 87 Cb 1.17 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 2cwz h GLU 87 CO 0.97 0.69 0.63 -1.59 -0.73 0.00 0.00 179.01 178.98 2cwz s LYS 88 N -2.28 0.70 -0.09 1.92 -2.85 -1.11 -4.72 119.74 111.31 2cwz s LYS 88 Ca -0.23 -0.31 0.02 0.00 -1.00 0.00 0.00 55.97 54.44 2cwz s LYS 88 Cb 0.04 0.29 0.02 0.00 -2.06 0.00 0.00 37.83 36.11 2cwz s LYS 88 CO 0.48 -0.31 -0.12 0.99 0.10 0.00 0.00 175.35 176.48 2cwz s THR 89 N -2.86 1.23 -0.20 3.79 2.01 -1.26 -0.33 115.64 118.02 2cwz s THR 89 Ca 0.09 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2cwz s THR 89 Cb -0.00 -1.15 0.05 0.00 0.01 0.00 0.00 72.50 71.41 2cwz s THR 89 CO -0.05 0.39 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.57 2cwz s GLU 90 N 0.98 1.89 7.70 4.92 2.02 -0.09 -4.98 118.70 131.14 2cwz s GLU 90 Ca -0.08 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2cwz s GLU 90 Cb -0.15 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2cwz s GLU 90 CO -0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2cwz n GLY 91 N 4.70 3.22 1.67 -1.39 0.00 -1.26 -1.36 105.19 110.77 2cwz n GLY 91 Ca -0.14 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 7.00 4.98 -4.30 1.61 6.94 -1.26 -4.91 115.26 125.32 2cwz n ASN 92 Ca 0.00 -3.06 -0.34 0.00 -0.02 0.00 0.00 54.58 51.15 2cwz n ASN 92 Cb 0.00 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 36.61 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 -2.87 3.33 -0.25 -3.83 3.52 -0.46 -0.10 118.95 118.30 2cwz s ARG 93 Ca 0.52 -0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 55.36 2cwz s ARG 93 Cb 0.41 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 2cwz s ARG 93 CO 0.13 -0.10 0.12 0.08 -0.81 0.00 0.00 175.30 174.72 2cwz s VAL 94 N 1.18 4.84 -0.18 7.11 1.01 0.29 -0.91 120.40 133.74 2cwz s VAL 94 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2cwz s VAL 94 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2cwz s VAL 94 CO -0.03 0.33 0.09 -0.31 0.00 0.00 0.00 175.10 175.19 2cwz s TYR 95 N 1.39 3.34 0.02 5.22 1.51 0.56 -1.64 117.35 127.75 2cwz s TYR 95 Ca 0.06 0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 2cwz s TYR 95 Cb -0.15 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 2cwz s TYR 95 CO 0.06 0.28 -0.10 0.00 -1.11 0.00 0.00 175.55 174.68 2cwz s ALA 96 N 0.17 0.78 -0.10 3.71 0.00 -0.71 -0.82 121.76 124.79 2cwz s ALA 96 Ca 0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 2cwz s ALA 96 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2cwz s ALA 96 CO -0.00 0.14 0.15 1.03 0.00 0.00 0.00 175.76 177.07 2cwz s ARG 97 N -0.79 3.44 0.04 0.00 1.81 0.06 -1.08 118.95 122.42 2cwz s ARG 97 Ca -0.00 -0.17 0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2cwz s ARG 97 Cb -0.06 -3.17 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2cwz s ARG 97 CO 0.00 0.76 -0.13 0.08 -0.68 0.00 0.00 175.30 175.33 2cwz s VAL 98 N -1.09 1.00 -0.02 3.52 1.01 -0.28 -0.08 120.40 124.45 2cwz s VAL 98 Ca 0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2cwz s VAL 98 Cb -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2cwz s VAL 98 CO 0.07 -0.07 0.09 -1.83 0.00 0.00 0.00 175.10 173.37 2cwz s GLU 99 N -1.22 0.20 0.03 2.72 -1.05 -0.48 -0.59 118.70 118.30 2cwz s GLU 99 Ca -0.00 -0.04 0.06 0.00 -0.15 0.00 0.00 54.97 54.84 2cwz s GLU 99 Cb -0.08 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 2cwz s GLU 99 CO 0.01 -0.04 -0.17 0.00 0.95 0.00 0.00 175.26 176.01 2cwz s ALA 100 N -0.36 1.45 0.09 -0.84 0.00 0.42 -0.27 121.76 122.24 2cwz s ALA 100 Ca -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2cwz s ALA 100 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2cwz s ALA 100 CO 0.00 0.32 -0.14 0.71 0.00 0.00 0.00 175.76 176.65 2cwz s TYR 101 N -0.69 1.30 0.62 0.00 1.51 0.11 -0.57 117.35 119.62 2cwz s TYR 101 Ca 0.05 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 2cwz s TYR 101 Cb -0.08 -0.71 0.10 0.00 -0.11 0.00 0.00 41.96 41.17 2cwz s TYR 101 CO 0.01 0.09 0.86 0.54 -1.11 0.00 0.00 175.55 175.94 2cwz s ASN 102 N -2.07 4.85 0.45 2.29 2.20 -0.64 -1.27 114.94 120.74 2cwz s ASN 102 Ca 0.03 -0.71 0.17 0.00 -0.94 0.00 0.00 52.86 51.41 2cwz s ASN 102 Cb -0.07 0.23 1.12 0.00 -2.00 0.00 0.00 41.25 40.52 2cwz s ASN 102 CO 0.02 -1.52 1.96 -0.08 -2.94 0.00 0.00 177.10 174.55 2cwz h GLU 103 N -0.05 0.31 0.00 3.55 4.81 -1.25 -0.02 114.58 121.93 2cwz h GLU 103 Ca -0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 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 0.40 0.20 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 2cwz n LEU 104 N -4.45 0.00 0.00 1.64 4.77 -1.26 -4.88 117.00 112.82 2cwz n LEU 104 Ca 0.11 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2cwz n LEU 104 Cb 0.47 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2cwz n LEU 104 CO 0.34 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2cwz n GLY 105 N 1.11 0.70 3.77 -0.72 0.00 -0.02 -5.05 105.19 104.98 2cwz n GLY 105 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.89 6.41 -0.50 1.61 1.01 -1.26 -4.75 116.67 116.30 2cwz s ASP 106 Ca 0.00 2.54 -0.28 0.00 0.71 0.00 0.00 52.55 55.52 2cwz s ASP 106 Cb 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.33 2cwz s ASP 106 CO 0.00 -0.77 1.09 -0.22 0.21 0.00 0.00 175.17 175.48 2cwz s LEU 107 N -2.42 3.71 0.06 1.23 2.96 -1.26 -1.62 118.68 121.34 2cwz s LEU 107 Ca 0.56 0.24 0.23 0.00 -0.22 0.00 0.00 54.13 54.94 2cwz s LEU 107 Cb -0.35 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2cwz s LEU 107 CO 0.45 -1.26 0.95 2.30 -1.32 0.00 0.00 176.35 177.46 2cwz n ILE 108 N 6.67 0.22 -3.57 6.68 -5.35 0.26 -3.82 119.36 120.45 2cwz n ILE 108 Ca 0.09 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 2cwz n ILE 108 Cb 0.49 0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 38.44 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 -3.89 -0.36 0.01 3.28 0.00 -1.10 -0.68 107.32 104.58 2cwz s GLY 109 Ca 0.01 1.90 0.02 0.00 0.00 0.00 0.00 44.72 46.65 2cwz s GLY 109 CO 0.82 1.15 -0.05 -1.34 0.00 0.00 0.00 173.10 173.68 2cwz s VAL 110 N -0.88 0.38 0.00 1.40 -7.23 -0.89 -0.43 120.40 112.74 2cwz s VAL 110 Ca -0.04 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 2cwz s VAL 110 Cb -0.01 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.57 2cwz s VAL 110 CO 0.03 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2cwz n GLY 111 N 2.62 1.88 3.47 2.32 0.00 0.24 -0.60 105.19 115.12 2cwz n GLY 111 Ca -0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2cwz n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cwz s ARG 112 N 1.28 1.10 0.13 1.61 1.70 -0.87 -1.12 118.95 122.77 2cwz s ARG 112 Ca 0.00 -0.42 -0.00 0.00 -0.47 0.00 0.00 55.73 54.84 2cwz s ARG 112 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2cwz s ARG 112 CO 0.00 -0.48 0.03 0.95 -1.08 0.00 0.00 175.30 174.72 2cwz s THR 113 N -3.48 0.29 -0.02 4.99 -4.23 -0.24 -1.39 115.64 111.56 2cwz s THR 113 Ca 0.03 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2cwz s THR 113 Cb -0.01 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.86 2cwz s THR 113 CO -0.10 -0.55 -0.05 -1.61 -0.54 0.00 0.00 174.62 171.76 2cwz s GLU 114 N -3.99 0.58 0.02 3.99 2.02 -0.28 -1.74 118.70 119.30 2cwz s GLU 114 Ca 0.21 -0.14 0.05 0.00 0.02 0.00 0.00 54.97 55.11 2cwz s GLU 114 Cb 0.07 -0.60 -0.02 0.00 0.10 0.00 0.00 34.13 33.69 2cwz s GLU 114 CO 0.00 0.02 -0.14 -0.65 0.02 0.00 0.00 175.26 174.52 2cwz s GLN 115 N 0.38 0.99 -0.17 1.61 -0.21 -0.65 -0.78 119.66 120.84 2cwz s GLN 115 Ca -0.04 -0.66 -0.05 0.00 0.02 0.00 0.00 55.36 54.63 2cwz s GLN 115 Cb -0.08 -0.98 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 2cwz s GLN 115 CO -0.00 0.25 -0.01 0.08 -2.12 0.00 0.00 175.29 173.49 2cwz s VAL 116 N -0.66 4.06 -0.23 1.09 1.01 0.03 -0.55 120.40 125.16 2cwz s VAL 116 Ca 0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2cwz s VAL 116 Cb -0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2cwz s VAL 116 CO 0.01 0.48 0.42 -0.63 0.00 0.00 0.00 175.10 175.37 2cwz s ILE 117 N 0.44 5.17 0.05 2.22 -1.09 0.86 -1.16 121.20 127.69 2cwz s ILE 117 Ca -0.02 0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 59.06 2cwz s ILE 117 Cb -0.14 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2cwz s ILE 117 CO 0.02 0.20 0.09 -0.76 -1.23 0.00 0.00 174.94 173.26 2cwz s LEU 118 N 1.67 1.86 0.38 2.97 1.43 0.02 -4.85 118.68 122.17 2cwz s LEU 118 Ca 0.19 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 2cwz s LEU 118 Cb -0.15 0.62 -0.09 0.00 0.03 0.00 0.00 46.19 46.60 2cwz s LEU 118 CO 0.09 -0.59 1.31 -2.84 0.23 0.00 0.00 176.35 174.55 2cwz s PRO 119 N -3.24 4.08 0.44 1.29 0.02 -1.26 -0.14 135.00 136.18 2cwz s PRO 119 Ca 0.00 2.20 0.17 0.00 0.02 0.00 0.00 61.00 63.39 2cwz s PRO 119 Cb 0.03 -2.85 1.09 0.00 0.02 0.00 0.00 34.50 32.79 2cwz s PRO 119 CO -0.08 -0.42 1.93 0.87 -0.33 0.00 0.00 177.00 178.98 2cwz h LYS 120 N 2.88 0.35 -0.67 5.54 1.57 -0.41 0.45 116.57 126.28 2cwz h LYS 120 Ca -0.49 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 2cwz h LYS 120 Cb 1.24 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2cwz h LYS 120 CO 0.63 0.23 0.22 0.00 -0.57 0.00 0.00 179.45 179.97 2cwz h ALA 121 N 1.66 1.13 -0.34 3.86 0.00 -1.90 -1.06 119.26 122.61 2cwz h ALA 121 Ca 0.35 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2cwz h ALA 121 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2cwz h ALA 121 CO -0.10 0.61 -0.04 -0.22 0.00 0.00 0.00 179.25 179.49 2cwz h LYS 122 N 0.98 0.63 -0.24 0.00 1.63 -1.29 -0.97 116.57 117.30 2cwz h LYS 122 Ca 0.22 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2cwz h LYS 122 Cb 0.26 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2cwz h LYS 122 CO -0.01 0.77 0.15 0.28 -3.45 0.00 0.00 179.45 177.20 2cwz h VAL 123 N 0.42 1.08 -0.72 2.00 2.07 -1.09 -1.06 116.25 118.94 2cwz h VAL 123 Ca 0.09 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2cwz h VAL 123 Cb 0.52 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2cwz h VAL 123 CO 0.03 0.08 0.36 -0.33 0.02 0.00 0.00 177.57 177.73 2cwz h GLU 124 N 0.32 1.01 -0.51 1.57 5.08 -1.13 -2.21 114.58 118.71 2cwz h GLU 124 Ca 0.09 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2cwz h GLU 124 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2cwz h GLU 124 CO -0.02 0.76 0.07 0.00 -1.00 0.00 0.00 179.01 178.82 2cwz h ALA 125 N 1.39 1.17 -0.21 3.43 0.00 -0.68 0.04 119.26 124.41 2cwz h ALA 125 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2cwz h ALA 125 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2cwz h ALA 125 CO -0.04 0.55 0.02 -0.07 0.00 0.00 0.00 179.25 179.72 2cwz h LEU 126 N 0.76 0.33 -0.86 0.00 3.38 -0.63 -0.86 115.31 117.44 2cwz h LEU 126 Ca 0.16 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2cwz h LEU 126 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2cwz h LEU 126 CO 0.01 0.53 -0.20 -0.26 0.09 0.00 0.00 178.44 178.60 2cwz h PHE 127 N 0.13 0.69 -0.53 1.13 0.04 -1.24 -2.54 116.94 114.63 2cwz h PHE 127 Ca 0.06 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 2cwz h PHE 127 Cb 0.34 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2cwz h PHE 127 CO 0.02 0.78 -0.00 -0.09 -0.60 0.00 0.00 178.31 178.42 2cwz h ARG 128 N 0.55 0.93 -0.79 1.51 2.43 -0.83 -2.08 114.38 116.11 2cwz h ARG 128 Ca 0.08 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2cwz h ARG 128 Cb 0.66 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2cwz h ARG 128 CO 0.05 0.95 0.34 -0.09 -1.51 0.00 0.00 179.97 179.71 2cwz h ARG 129 N 0.81 1.16 -0.64 0.20 9.65 -1.02 -1.20 114.38 123.33 2cwz h ARG 129 Ca 0.15 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2cwz h ARG 129 Cb 0.54 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2cwz h ARG 129 CO 0.03 0.92 0.28 1.25 2.80 0.00 0.00 179.97 185.25 2cwz h LEU 130 N 1.13 0.86 -0.81 3.80 5.85 -1.27 -1.67 115.31 123.20 2cwz h LEU 130 Ca 0.27 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2cwz h LEU 130 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2cwz h LEU 130 CO -0.03 0.78 -0.08 0.50 -0.34 0.00 0.00 178.44 179.27 2cwz h LYS 131 N 0.89 0.82 -0.53 1.25 3.64 -0.98 -1.80 116.57 119.86 2cwz h LYS 131 Ca 0.22 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2cwz h LYS 131 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2cwz h LYS 131 CO -0.02 0.87 0.01 0.93 -2.27 0.00 0.00 179.45 178.97 2cwz h GLU 132 N 0.75 0.89 -0.39 1.90 5.08 -0.91 -0.76 114.58 121.13 2cwz h GLU 132 Ca 0.13 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2cwz h GLU 132 Cb 0.56 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2cwz h GLU 132 CO 0.03 0.88 -0.15 0.00 -1.00 0.00 0.00 179.01 178.77 2cwz h ARG 133 N 0.83 0.73 -0.25 2.33 3.08 -1.02 -1.60 114.38 118.47 2cwz h ARG 133 Ca 0.16 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2cwz h ARG 133 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2cwz h ARG 133 CO 0.02 0.84 -0.03 2.35 -1.07 0.00 0.00 179.97 182.08 2cwz h TRP 134 N 0.65 0.51 -0.15 3.04 7.01 -0.87 -2.90 115.95 123.25 2cwz h TRP 134 Ca 0.11 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2cwz h TRP 134 Cb 0.62 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 2cwz h TRP 134 CO 0.03 0.66 -0.04 0.93 -2.79 0.00 0.00 178.44 177.22 2cwz h GLU 135 N 0.22 0.22 0.00 2.65 5.08 -0.99 -1.62 114.58 120.14 2cwz h GLU 135 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2cwz h GLU 135 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cwz h GLU 135 CO 0.02 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 2cwz n ALA 136 N -2.50 1.30 1.55 3.43 0.00 -0.62 -5.10 120.51 118.57 2cwz n ALA 136 Ca -0.01 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.67 2cwz n ALA 136 Cb 0.20 -1.27 0.57 0.00 0.00 0.00 0.00 19.45 18.95 2cwz n ALA 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89