#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 4.20 -0.08 5.56 0.04 -1.26 -4.87 135.00 138.59 2cwz s PRO 3 Ca 0.00 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2cwz s PRO 3 Cb 0.00 -3.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2cwz s PRO 3 CO 0.00 -0.70 0.88 0.42 0.04 0.00 0.00 177.00 177.64 2cwz s ILE 4 N 2.20 4.90 0.47 0.56 1.01 -1.26 -5.01 121.20 124.06 2cwz s ILE 4 Ca 0.73 1.79 -0.24 0.00 0.00 0.00 0.00 60.65 62.93 2cwz s ILE 4 Cb -0.41 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 37.78 2cwz s ILE 4 CO 0.32 0.12 1.30 -2.65 0.00 0.00 0.00 174.94 174.03 2cwz n PRO 5 N 4.43 1.87 -1.97 2.79 -0.02 -1.26 -4.90 135.00 135.94 2cwz n PRO 5 Ca 0.04 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 2cwz n PRO 5 Cb 0.50 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 2cwz n PRO 5 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2cwz s GLU 6 N -2.45 4.24 0.00 -0.52 2.12 -1.26 -1.97 118.70 118.86 2cwz s GLU 6 Ca 0.64 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.32 2cwz s GLU 6 Cb -0.47 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 30.82 2cwz s GLU 6 CO 0.55 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2cwz n GLY 7 N 2.35 0.91 3.63 -1.50 0.00 -0.36 -4.98 105.19 105.24 2cwz n GLY 7 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.19 1.86 -4.70 1.61 4.19 -0.83 -4.38 117.16 112.72 2cwz n TYR 8 Ca 0.00 0.47 -0.33 0.00 3.31 0.00 0.00 57.90 61.35 2cwz n TYR 8 Cb 0.00 -2.43 -0.12 0.00 0.49 0.00 0.00 39.34 37.28 2cwz n TYR 8 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2cwz s GLU 9 N 1.15 2.89 0.02 2.98 2.12 -1.26 -0.51 118.70 126.08 2cwz s GLU 9 Ca 0.85 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.60 2cwz s GLU 9 Cb -0.86 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 2cwz s GLU 9 CO 0.46 0.54 -0.10 0.00 -0.54 0.00 0.00 175.26 175.61 2cwz s ALA 10 N -0.48 0.84 0.12 6.30 0.00 -0.30 -4.99 121.76 123.25 2cwz s ALA 10 Ca 0.07 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2cwz s ALA 10 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2cwz s ALA 10 CO 0.02 0.15 -0.14 0.14 0.00 0.00 0.00 175.76 175.94 2cwz s VAL 11 N -0.65 1.28 -0.08 0.00 -7.23 -1.26 -0.95 120.40 111.50 2cwz s VAL 11 Ca 0.00 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2cwz s VAL 11 Cb -0.06 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.40 2cwz s VAL 11 CO 0.00 -0.43 -0.05 0.12 -0.31 0.00 0.00 175.10 174.44 2cwz s PHE 12 N -2.14 1.08 -0.00 2.82 5.36 -0.14 -4.91 117.98 120.04 2cwz s PHE 12 Ca 0.08 -0.43 0.06 0.00 -0.96 0.00 0.00 56.93 55.68 2cwz s PHE 12 Cb -0.05 -0.96 -0.03 0.00 -0.34 0.00 0.00 43.02 41.64 2cwz s PHE 12 CO 0.03 -0.36 -0.17 -1.21 -1.46 0.00 0.00 175.22 172.05 2cwz s GLU 13 N 1.48 2.27 0.29 10.12 2.02 -1.26 -0.60 118.70 133.01 2cwz s GLU 13 Ca -0.01 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 2cwz s GLU 13 Cb -0.13 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.86 2cwz s GLU 13 CO -0.04 0.58 0.46 -2.37 0.02 0.00 0.00 175.26 173.91 2cwz n THR 14 N 1.97 0.00 -4.24 3.63 5.66 -0.41 -5.00 114.28 115.88 2cwz n THR 14 Ca -0.16 -1.21 -0.23 0.00 -3.05 0.00 0.00 64.05 59.40 2cwz n THR 14 Cb 0.52 0.84 -0.17 0.00 -1.55 0.00 0.00 70.33 69.97 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 -2.60 0.79 -0.02 1.08 1.01 -1.26 -0.52 120.40 118.87 2cwz s VAL 15 Ca 0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2cwz s VAL 15 Cb -0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 2cwz s VAL 15 CO 0.14 0.29 2.02 0.52 0.00 0.00 0.00 175.10 178.07 2cwz n VAL 16 N 4.16 0.68 -3.44 2.92 0.31 -1.26 -4.86 118.33 116.85 2cwz n VAL 16 Ca -0.21 -0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 63.70 2cwz n VAL 16 Cb 0.51 -2.32 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 2cwz n VAL 16 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2cwz s THR 17 N 5.16 4.73 0.53 2.52 -4.23 -1.26 0.14 115.64 123.23 2cwz s THR 17 Ca 0.92 -0.67 0.24 0.00 -1.18 0.00 0.00 61.69 61.00 2cwz s THR 17 Cb -0.45 -3.70 0.38 0.00 1.34 0.00 0.00 72.50 70.07 2cwz s THR 17 CO 0.42 -0.39 2.02 -0.65 -0.54 0.00 0.00 174.62 175.48 2cwz h PRO 18 N 0.79 0.00 -2.34 3.99 0.11 -1.97 -3.35 132.00 129.22 2cwz h PRO 18 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2cwz h PRO 18 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2cwz h PRO 18 CO 0.59 0.00 -0.07 -1.91 -0.21 0.00 0.00 178.00 176.40 2cwz n GLU 19 N -4.37 1.26 -1.19 1.05 2.13 -1.26 -4.95 120.64 113.32 2cwz n GLU 19 Ca 0.07 -0.62 0.13 0.00 0.66 0.00 0.00 57.16 57.40 2cwz n GLU 19 Cb 0.52 -1.80 -0.06 0.00 0.27 0.00 0.00 31.44 30.37 2cwz n GLU 19 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2cwz n THR 21 N 2.64 -0.39 -1.91 6.31 -2.24 -1.26 -4.98 114.28 112.46 2cwz n THR 21 Ca 0.27 0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 62.17 2cwz n THR 21 Cb 0.58 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.96 3.35 -0.13 2.28 1.01 -0.80 -4.64 120.40 117.51 2cwz s VAL 22 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 2cwz s VAL 22 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.91 2cwz s VAL 22 CO 0.00 -0.37 0.27 -0.60 0.00 0.00 0.00 175.10 174.40 2cwz s ARG 23 N 6.08 0.16 0.26 2.72 3.52 -1.26 -0.96 118.95 129.47 2cwz s ARG 23 Ca 0.83 0.72 0.09 0.00 -0.13 0.00 0.00 55.73 57.24 2cwz s ARG 23 Cb -0.23 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 2cwz s ARG 23 CO 0.32 -0.26 0.03 -0.06 -0.81 0.00 0.00 175.30 174.52 2cwz s PHE 24 N 2.21 2.77 0.48 5.12 0.08 -0.59 -4.94 117.98 123.11 2cwz s PHE 24 Ca -0.01 -0.20 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 2cwz s PHE 24 Cb -0.12 -1.23 -0.07 0.00 -0.57 0.00 0.00 43.02 41.03 2cwz s PHE 24 CO -0.09 0.60 1.12 -1.21 -0.10 0.00 0.00 175.22 175.54 2cwz s GLU 25 N -3.70 3.70 0.00 0.44 8.01 -1.26 -0.49 118.70 125.40 2cwz s GLU 25 Ca 0.32 1.61 0.00 0.00 0.01 0.00 0.00 54.97 56.91 2cwz s GLU 25 Cb -0.07 -2.24 0.00 0.00 -4.31 0.00 0.00 34.13 27.51 2cwz s GLU 25 CO 0.21 -0.57 0.00 0.39 0.01 0.00 0.00 175.26 175.30 2cwz n GLU 26 N -0.77 0.00 0.05 1.61 1.02 -1.26 -4.42 120.64 116.87 2cwz n GLU 26 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2cwz n GLU 26 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.79 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 0.18 0.00 -4.62 3.38 -1.99 -3.50 115.31 108.75 2cwz h LEU 27 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2cwz h LEU 27 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2cwz h LEU 27 CO 0.00 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2cwz n GLY 28 N 1.52 -1.63 3.75 0.83 0.00 0.36 -4.89 105.19 105.13 2cwz n GLY 28 Ca -0.10 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2cwz n GLY 28 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2cwz s PRO 29 N 0.00 4.15 0.03 1.61 0.02 -1.26 -1.54 135.00 138.00 2cwz s PRO 29 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2cwz s PRO 29 Cb 0.00 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2cwz s PRO 29 CO 0.00 -0.60 0.00 0.28 -0.33 0.00 0.00 177.00 176.35 2cwz n VAL 30 N 2.36 0.37 -4.01 3.83 0.31 -0.14 -4.95 118.33 116.11 2cwz n VAL 30 Ca 0.09 0.12 -0.17 0.00 -0.01 0.00 0.00 64.34 64.37 2cwz n VAL 30 Cb 0.38 -1.52 -0.16 0.00 -0.91 0.00 0.00 33.84 31.63 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 0.38 0.00 3.52 3.76 -1.14 -5.05 115.29 114.76 2cwz s HIS 31 Ca 0.00 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2cwz s HIS 31 Cb 0.00 -0.38 -0.15 0.00 1.11 0.00 0.00 32.58 33.16 2cwz s HIS 31 CO 0.00 -0.10 2.83 -0.35 -0.85 0.00 0.00 174.74 176.27 2cwz n PRO 32 N 3.76 1.51 -4.12 8.40 -0.04 -1.26 -1.90 135.00 141.35 2cwz n PRO 32 Ca -0.22 -0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 62.61 2cwz n PRO 32 Cb 0.53 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.61 0.25 -0.27 0.52 -7.23 -1.26 -4.37 120.40 108.65 2cwz s VAL 33 Ca 0.36 -1.85 -0.39 0.00 -1.81 0.00 0.00 61.98 58.28 2cwz s VAL 33 Cb 0.17 -1.69 -0.15 0.00 0.56 0.00 0.00 36.38 35.27 2cwz s VAL 33 CO 0.00 -0.83 1.80 0.00 -0.31 0.00 0.00 175.10 175.75 2cwz n TYR 34 N 0.03 2.05 -2.47 2.82 9.36 -0.31 -2.39 117.16 126.25 2cwz n TYR 34 Ca -0.11 0.47 -0.36 0.00 3.32 0.00 0.00 57.90 61.22 2cwz n TYR 34 Cb 0.62 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.81 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 3.92 2.97 0.25 2.98 0.00 -1.26 -4.77 121.76 125.85 2cwz s ALA 35 Ca 0.99 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 2cwz s ALA 35 Cb -1.03 -3.29 0.28 0.00 0.00 0.00 0.00 23.12 19.08 2cwz s ALA 35 CO 0.64 -0.36 1.93 1.15 0.00 0.00 0.00 175.76 179.11 2cwz h THR 36 N 1.87 1.24 0.00 0.00 2.02 -1.97 -1.72 112.91 114.35 2cwz h THR 36 Ca -0.49 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 2cwz h THR 36 Cb 1.23 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2cwz h THR 36 CO 0.60 0.25 -0.18 0.10 0.37 0.00 0.00 175.52 176.66 2cwz h TYR 37 N 1.34 0.00 0.00 3.16 -0.00 -2.00 0.03 116.97 119.50 2cwz h TYR 37 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 2cwz h TYR 37 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.60 2cwz h TYR 37 CO -0.00 0.18 0.00 0.91 -0.00 0.00 0.00 178.16 179.25 2cwz n TRP 38 N -3.45 0.00 0.00 0.10 7.02 -0.65 -2.08 117.44 118.38 2cwz n TRP 38 Ca -0.01 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 2cwz n TRP 38 Cb 0.36 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 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 0.68 0.00 -0.20 -0.99 0.31 -0.00 -1.61 118.33 116.51 2cwz n VAL 40 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2cwz n VAL 40 Cb 0.44 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.68 -1.68 5.55 3.64 -1.69 -0.61 116.57 122.46 2cwz h LYS 41 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2cwz h LYS 41 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2cwz h LYS 41 CO 0.00 0.45 0.00 0.72 -2.27 0.00 0.00 179.45 178.35 2cwz n HIS 42 N -4.76 0.00 0.00 1.91 8.25 -0.64 -1.26 115.22 118.73 2cwz n HIS 42 Ca 0.05 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2cwz n HIS 42 Cb 0.09 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 1.12 0.00 -0.00 -0.41 1.02 -0.24 -1.10 120.64 121.03 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 -0.06 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 0.09 -0.86 -4.62 5.85 -1.44 0.20 115.31 114.54 2cwz h LEU 45 Ca 0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2cwz h LEU 45 Cb 0.00 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2cwz h LEU 45 CO 0.00 0.19 0.56 0.00 -0.34 0.00 0.00 178.44 178.85 2cwz h ALA 46 N 0.91 1.11 -0.62 1.25 0.00 -1.39 -1.98 119.26 118.53 2cwz h ALA 46 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2cwz h ALA 46 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2cwz h ALA 46 CO -0.00 0.44 0.17 0.78 0.00 0.00 0.00 179.25 180.64 2cwz h GLY 47 N 1.12 1.02 1.57 0.00 0.00 -1.74 -2.65 103.07 102.40 2cwz h GLY 47 Ca 0.33 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 2cwz h GLY 47 CO -0.09 0.56 -0.08 -0.09 0.00 0.00 0.00 176.54 176.83 2cwz h ARG 48 N 0.92 0.52 0.00 4.80 2.43 -0.26 -2.00 114.38 120.79 2cwz h ARG 48 Ca 0.20 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2cwz h ARG 48 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2cwz h ARG 48 CO -0.00 0.61 0.00 0.87 -1.51 0.00 0.00 179.97 179.94 2cwz h LYS 49 N 0.49 0.00 -0.12 0.20 1.57 -1.02 -2.19 116.57 115.50 2cwz h LYS 49 Ca 0.09 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.64 2cwz h LYS 49 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2cwz h LYS 49 CO 0.02 0.00 -0.83 0.82 -0.57 0.00 0.00 179.45 178.89 2cwz h ILE 50 N 0.00 1.28 0.00 1.86 2.04 -1.34 -3.35 117.51 118.00 2cwz h ILE 50 Ca 0.00 -2.04 -0.16 0.00 1.00 0.00 0.00 64.86 63.67 2cwz h ILE 50 Cb 0.22 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2cwz h ILE 50 CO 0.00 0.64 -1.09 0.16 0.00 0.00 0.00 178.15 177.86 2cwz h ILE 51 N 0.51 0.75 -0.74 -0.67 3.07 -1.47 -3.39 117.51 115.57 2cwz h ILE 51 Ca -0.07 -2.24 0.16 0.00 1.55 0.00 0.00 64.86 64.26 2cwz h ILE 51 Cb 1.47 2.26 -0.11 0.00 -0.27 0.00 0.00 36.82 40.17 2cwz h ILE 51 CO 0.17 0.43 0.21 -0.07 -1.05 0.00 0.00 178.15 177.83 2cwz h LEU 52 N 0.00 0.07 -2.01 0.16 3.38 -1.60 -0.62 115.31 114.70 2cwz h LEU 52 Ca -0.10 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cwz h LEU 52 Cb 1.56 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2cwz h LEU 52 CO 0.06 -0.01 0.00 -0.65 0.09 0.00 0.00 178.44 177.93 2cwz h PRO 53 N 0.30 0.00 0.00 1.13 0.11 -1.78 -3.10 132.00 128.67 2cwz h PRO 53 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2cwz h PRO 53 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2cwz h PRO 53 CO -0.48 0.00 -0.99 1.19 -0.21 0.00 0.00 178.00 177.50 2cwz n PHE 54 N -2.87 0.00 -1.85 0.65 3.72 -0.31 -4.99 117.46 111.80 2cwz n PHE 54 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 2cwz n PHE 54 Cb 0.16 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 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 -3.10 4.35 0.47 4.37 1.43 -0.77 -1.32 118.68 124.11 2cwz s LEU 55 Ca 0.02 2.93 0.06 0.00 -1.03 0.00 0.00 54.13 56.10 2cwz s LEU 55 Cb 0.11 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.70 2cwz s LEU 55 CO 0.60 -0.83 0.65 -1.61 0.23 0.00 0.00 176.35 175.39 2cwz s GLU 56 N -1.20 2.70 0.05 1.70 2.02 -1.26 -4.91 118.70 117.80 2cwz s GLU 56 Ca 0.57 -1.11 -0.37 0.00 0.02 0.00 0.00 54.97 54.08 2cwz s GLU 56 Cb -0.46 -2.66 -0.17 0.00 0.10 0.00 0.00 34.13 30.94 2cwz s GLU 56 CO 0.53 -0.45 1.32 -1.91 0.02 0.00 0.00 175.26 174.77 2cwz n GLU 57 N -2.04 0.96 -0.86 1.61 4.07 -1.26 -1.36 120.64 121.77 2cwz n GLU 57 Ca 0.08 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 2cwz n GLU 57 Cb 0.59 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 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 2.46 0.77 3.87 8.31 0.00 -1.26 -4.99 105.19 114.35 2cwz n GLY 58 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 3.81 0.03 1.61 2.02 -0.46 0.12 118.70 125.59 2cwz s GLU 59 Ca 0.00 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 2cwz s GLU 59 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 2cwz s GLU 59 CO 0.00 0.18 0.02 -2.00 0.02 0.00 0.00 175.26 173.48 2cwz s GLU 60 N -3.21 0.50 -0.06 1.61 2.56 0.34 -4.73 118.70 115.70 2cwz s GLU 60 Ca 0.49 -0.84 0.03 0.00 0.00 0.00 0.00 54.97 54.65 2cwz s GLU 60 Cb -0.11 0.18 -0.02 0.00 2.00 0.00 0.00 34.13 36.18 2cwz s GLU 60 CO 0.24 -0.10 -0.13 0.20 -0.56 0.00 0.00 175.26 174.91 2cwz s GLY 61 N -2.13 1.56 -0.03 -1.50 0.00 -1.26 -0.92 107.32 103.03 2cwz s GLY 61 Ca -0.05 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.75 2cwz s GLY 61 CO -0.05 -0.66 -0.15 -0.26 0.00 0.00 0.00 173.10 171.98 2cwz s ILE 62 N -0.57 1.22 0.17 0.90 -4.36 -0.07 -4.94 121.20 113.55 2cwz s ILE 62 Ca 0.08 -0.61 -0.31 0.00 -0.26 0.00 0.00 60.65 59.56 2cwz s ILE 62 Cb -0.11 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.46 2cwz s ILE 62 CO 0.01 0.36 1.43 -0.83 0.24 0.00 0.00 174.94 176.15 2cwz s GLY 63 N 0.03 2.05 0.00 6.27 0.00 -1.26 -0.82 107.32 113.59 2cwz s GLY 63 Ca -0.02 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.92 2cwz s GLY 63 CO 0.01 2.35 0.00 -1.26 0.00 0.00 0.00 173.10 174.20 2cwz n SER 64 N 3.32 4.69 -3.70 1.64 2.88 -0.07 -4.89 113.62 117.49 2cwz n SER 64 Ca 0.10 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.50 2cwz n SER 64 Cb 0.41 0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 64.16 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 -1.98 -0.45 -0.04 0.66 5.04 -1.01 -4.95 117.35 114.62 2cwz s TYR 65 Ca 0.00 1.01 -0.10 0.00 -2.44 0.00 0.00 57.07 55.54 2cwz s TYR 65 Cb 0.00 0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.51 2cwz s TYR 65 CO 0.00 -0.32 0.24 0.14 -1.34 0.00 0.00 175.55 174.27 2cwz s VAL 66 N -0.26 0.04 -0.07 3.14 -7.23 -1.26 -0.93 120.40 113.82 2cwz s VAL 66 Ca -0.04 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 2cwz s VAL 66 Cb -0.03 -0.46 0.02 0.00 0.56 0.00 0.00 36.38 36.47 2cwz s VAL 66 CO 0.02 -0.19 0.27 -1.83 -0.31 0.00 0.00 175.10 173.07 2cwz s GLU 67 N -0.77 0.42 -0.19 4.82 -1.05 -0.66 -4.99 118.70 116.28 2cwz s GLU 67 Ca -0.09 0.18 -0.13 0.00 -0.15 0.00 0.00 54.97 54.79 2cwz s GLU 67 Cb -0.05 0.20 0.06 0.00 -0.44 0.00 0.00 34.13 33.90 2cwz s GLU 67 CO 0.02 -0.08 0.47 0.00 0.95 0.00 0.00 175.26 176.62 2cwz s ALA 68 N -0.34 -1.21 -0.21 -0.84 0.00 -1.26 -2.14 121.76 115.76 2cwz s ALA 68 Ca -0.05 1.60 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 2cwz s ALA 68 Cb -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2cwz s ALA 68 CO 0.01 -0.27 -0.01 0.50 0.00 0.00 0.00 175.76 175.99 2cwz s ARG 69 N 1.06 3.51 -0.51 0.00 3.52 -0.01 -4.98 118.95 121.55 2cwz s ARG 69 Ca -0.07 -0.56 -0.22 0.00 -0.13 0.00 0.00 55.73 54.75 2cwz s ARG 69 Cb -0.06 -3.07 0.04 0.00 -1.56 0.00 0.00 34.95 30.30 2cwz s ARG 69 CO -0.09 -0.09 0.81 -1.58 -0.81 0.00 0.00 175.30 173.53 2cwz s HIS 70 N 1.26 2.92 -0.11 5.12 5.65 -1.26 -2.28 115.29 126.58 2cwz s HIS 70 Ca 0.03 -0.14 0.01 0.00 0.25 0.00 0.00 55.06 55.21 2cwz s HIS 70 Cb -0.15 -3.81 -0.25 0.00 -1.18 0.00 0.00 32.58 27.20 2cwz s HIS 70 CO 0.00 -1.17 0.41 1.28 -0.65 0.00 0.00 174.74 174.61 2cwz n LEU 71 N 6.89 2.03 -4.17 8.88 4.77 0.23 -4.98 117.00 130.66 2cwz n LEU 71 Ca -0.01 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 2cwz n LEU 71 Cb 0.47 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2cwz n LEU 71 CO 0.59 0.71 -0.07 0.00 -1.33 0.00 0.00 177.39 177.29 2cwz s ALA 72 N -2.57 1.03 0.33 -1.18 0.00 -1.07 -4.98 121.76 113.33 2cwz s ALA 72 Ca -0.17 -1.62 0.08 0.00 0.00 0.00 0.00 51.96 50.24 2cwz s ALA 72 Cb 0.07 1.32 -0.03 0.00 0.00 0.00 0.00 23.12 24.48 2cwz s ALA 72 CO 0.78 -0.69 0.26 -1.12 0.00 0.00 0.00 175.76 174.99 2cwz s SER 73 N -3.20 5.19 -0.07 0.00 0.01 -1.26 -4.65 113.70 109.72 2cwz s SER 73 Ca 0.35 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2cwz s SER 73 Cb 0.03 -0.95 0.02 0.00 0.21 0.00 0.00 66.02 65.33 2cwz s SER 73 CO 0.17 -0.33 -0.06 0.00 0.41 0.00 0.00 173.24 173.43 2cwz s ALA 74 N -2.32 0.96 0.43 1.44 0.00 -1.26 -4.87 121.76 116.13 2cwz s ALA 74 Ca 0.40 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 2cwz s ALA 74 Cb -0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 2cwz s ALA 74 CO 0.26 -0.19 0.80 -0.51 0.00 0.00 0.00 175.76 176.12 2cwz s LEU 75 N 1.30 3.76 0.34 0.00 1.43 -1.26 -1.16 118.68 123.09 2cwz s LEU 75 Ca -0.04 1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 2cwz s LEU 75 Cb -0.14 -4.05 -0.12 0.00 0.03 0.00 0.00 46.19 41.91 2cwz s LEU 75 CO -0.03 -0.46 1.30 -2.65 0.23 0.00 0.00 176.35 174.75 2cwz n PRO 76 N -1.51 2.16 -0.47 1.29 -0.02 -1.26 -4.66 135.00 130.53 2cwz n PRO 76 Ca 0.03 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2cwz n PRO 76 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.77 0.56 3.36 -1.23 0.00 0.12 -4.96 105.19 103.81 2cwz n GLY 77 Ca 0.05 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.27 1.40 -0.01 1.61 0.52 -1.26 -4.71 118.95 116.22 2cwz s ARG 79 Ca 0.00 -1.28 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2cwz s ARG 79 Cb 0.00 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2cwz s ARG 79 CO 0.00 0.43 -0.05 0.08 0.02 0.00 0.00 175.30 175.79 2cwz s VAL 80 N -1.04 0.42 -0.14 3.52 1.01 0.32 -0.63 120.40 123.86 2cwz s VAL 80 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2cwz s VAL 80 Cb -0.10 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2cwz s VAL 80 CO 0.05 0.14 -0.18 -0.60 0.00 0.00 0.00 175.10 174.52 2cwz s ARG 81 N 0.21 2.61 -0.19 2.72 3.52 -0.47 -1.29 118.95 126.06 2cwz s ARG 81 Ca -0.02 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2cwz s ARG 81 Cb -0.06 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 2cwz s ARG 81 CO -0.00 -0.13 -0.03 0.08 -0.81 0.00 0.00 175.30 174.40 2cwz s VAL 82 N 1.16 3.65 -0.22 7.11 1.01 0.23 -0.80 120.40 132.53 2cwz s VAL 82 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2cwz s VAL 82 Cb -0.14 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2cwz s VAL 82 CO -0.07 0.45 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 2cwz s VAL 83 N 1.00 2.41 -0.09 2.92 1.01 0.66 -0.97 120.40 127.33 2cwz s VAL 83 Ca 0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 2cwz s VAL 83 Cb -0.15 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2cwz s VAL 83 CO 0.01 0.30 -0.00 0.00 0.00 0.00 0.00 175.10 175.41 2cwz s ALA 84 N 1.27 3.27 -0.04 5.51 0.00 -0.13 -1.20 121.76 130.44 2cwz s ALA 84 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2cwz s ALA 84 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2cwz s ALA 84 CO -0.08 0.56 -0.07 1.03 0.00 0.00 0.00 175.76 177.20 2cwz s ARG 85 N -0.79 0.96 0.07 0.00 0.52 0.13 -1.15 118.95 118.69 2cwz s ARG 85 Ca 0.12 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 2cwz s ARG 85 Cb -0.11 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.36 2cwz s ARG 85 CO 0.02 0.02 1.88 -1.58 0.02 0.00 0.00 175.30 175.66 2cwz s HIS 86 N 0.54 1.71 -0.20 -0.53 5.65 0.33 -1.33 115.29 121.47 2cwz s HIS 86 Ca -0.08 -0.22 -0.17 0.00 0.25 0.00 0.00 55.06 54.85 2cwz s HIS 86 Cb -0.12 -4.19 -0.12 0.00 -1.18 0.00 0.00 32.58 26.97 2cwz s HIS 86 CO 0.01 -5.12 -0.03 -1.91 -0.65 0.00 0.00 174.74 167.03 2cwz n GLU 87 N 6.70 0.53 -3.63 2.88 2.13 0.23 -1.22 120.64 128.26 2cwz n GLU 87 Ca 0.19 0.49 -0.04 0.00 0.66 0.00 0.00 57.16 58.46 2cwz n GLU 87 Cb 0.40 -1.67 -0.01 0.00 0.27 0.00 0.00 31.44 30.43 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 -2.39 0.74 -0.10 5.31 -2.85 -1.16 -4.76 119.74 114.52 2cwz s LYS 88 Ca -0.26 -0.36 0.01 0.00 -1.00 0.00 0.00 55.97 54.36 2cwz s LYS 88 Cb 0.06 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2cwz s LYS 88 CO 0.45 -0.33 -0.12 0.99 0.10 0.00 0.00 175.35 176.44 2cwz s THR 89 N -2.87 1.24 -0.29 3.79 2.01 -1.26 -0.32 115.64 117.94 2cwz s THR 89 Ca 0.10 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2cwz s THR 89 Cb 0.00 -1.17 0.06 0.00 0.01 0.00 0.00 72.50 71.40 2cwz s THR 89 CO -0.03 0.39 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.65 2cwz s GLU 90 N 1.17 2.28 7.97 4.92 0.41 0.17 -4.96 118.70 130.67 2cwz s GLU 90 Ca -0.04 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 2cwz s GLU 90 Cb -0.14 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2cwz s GLU 90 CO -0.03 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 2cwz n GLY 91 N 4.53 4.21 1.52 -1.39 0.00 -1.26 -0.81 105.19 111.98 2cwz n GLY 91 Ca -0.12 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 9.04 4.42 -4.24 1.61 6.94 -1.26 -4.92 115.26 126.85 2cwz n ASN 92 Ca 0.00 -3.17 -0.34 0.00 -0.02 0.00 0.00 54.58 51.04 2cwz n ASN 92 Cb 0.00 -0.66 -0.15 0.00 -2.36 0.00 0.00 39.78 36.62 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 -2.94 3.22 -0.24 -3.83 3.52 0.01 -0.37 118.95 118.33 2cwz s ARG 93 Ca 0.50 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 2cwz s ARG 93 Cb 0.40 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.89 2cwz s ARG 93 CO 0.11 -0.21 0.18 0.08 -0.81 0.00 0.00 175.30 174.65 2cwz s VAL 94 N 1.41 5.34 -0.14 7.11 1.01 0.52 -0.65 120.40 135.00 2cwz s VAL 94 Ca 0.05 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 2cwz s VAL 94 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2cwz s VAL 94 CO -0.07 0.33 0.09 -0.31 0.00 0.00 0.00 175.10 175.14 2cwz s TYR 95 N 1.15 3.39 0.01 5.22 1.51 0.57 -1.40 117.35 127.80 2cwz s TYR 95 Ca 0.08 0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.48 2cwz s TYR 95 Cb -0.14 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2cwz s TYR 95 CO 0.05 0.48 -0.07 0.00 -1.11 0.00 0.00 175.55 174.91 2cwz s ALA 96 N -0.49 0.52 -0.11 3.71 0.00 -0.70 -0.60 121.76 124.08 2cwz s ALA 96 Ca 0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2cwz s ALA 96 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2cwz s ALA 96 CO 0.02 0.07 0.06 1.03 0.00 0.00 0.00 175.76 176.94 2cwz s ARG 97 N -0.65 3.28 0.06 0.00 1.81 -0.44 -1.25 118.95 121.76 2cwz s ARG 97 Ca -0.02 -0.31 0.04 0.00 -1.72 0.00 0.00 55.73 53.73 2cwz s ARG 97 Cb -0.05 -2.98 -0.03 0.00 -0.45 0.00 0.00 34.95 31.44 2cwz s ARG 97 CO 0.00 0.66 -0.13 0.08 -0.68 0.00 0.00 175.30 175.24 2cwz s VAL 98 N -0.74 0.99 0.02 3.52 1.01 0.14 -0.70 120.40 124.64 2cwz s VAL 98 Ca 0.12 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2cwz s VAL 98 Cb -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2cwz s VAL 98 CO 0.03 -0.18 -0.07 -1.61 0.00 0.00 0.00 175.10 173.26 2cwz s GLU 99 N -1.50 0.53 -0.02 2.72 2.02 -0.34 -0.45 118.70 121.66 2cwz s GLU 99 Ca -0.02 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.50 2cwz s GLU 99 Cb -0.09 -0.41 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 2cwz s GLU 99 CO 0.02 0.10 -0.17 0.00 0.02 0.00 0.00 175.26 175.22 2cwz s ALA 100 N -0.80 1.45 0.10 5.21 0.00 -0.04 -0.25 121.76 127.43 2cwz s ALA 100 Ca -0.04 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2cwz s ALA 100 Cb -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2cwz s ALA 100 CO 0.00 0.33 -0.19 0.71 0.00 0.00 0.00 175.76 176.61 2cwz s TYR 101 N -0.26 1.63 0.61 0.00 1.51 0.02 -0.38 117.35 120.47 2cwz s TYR 101 Ca 0.03 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2cwz s TYR 101 Cb -0.08 -0.89 0.09 0.00 -0.11 0.00 0.00 41.96 40.97 2cwz s TYR 101 CO 0.00 0.18 0.84 0.54 -1.11 0.00 0.00 175.55 176.00 2cwz s ASN 102 N -1.97 4.90 0.47 2.29 2.20 -0.62 -1.36 114.94 120.86 2cwz s ASN 102 Ca 0.05 -0.57 0.23 0.00 -0.94 0.00 0.00 52.86 51.63 2cwz s ASN 102 Cb -0.09 0.01 1.25 0.00 -2.00 0.00 0.00 41.25 40.41 2cwz s ASN 102 CO 0.04 -1.45 1.90 -0.08 -2.94 0.00 0.00 177.10 174.57 2cwz h GLU 103 N -0.03 0.21 -0.00 3.55 4.81 -1.22 0.11 114.58 122.01 2cwz h GLU 103 Ca -0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2cwz h GLU 103 Cb 1.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2cwz h GLU 103 CO 0.42 0.14 -0.02 1.28 -0.73 0.00 0.00 179.01 180.10 2cwz n LEU 104 N -4.41 0.44 0.00 1.64 4.77 -1.26 -4.89 117.00 113.28 2cwz n LEU 104 Ca 0.17 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2cwz n LEU 104 Cb 0.73 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2cwz n LEU 104 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2cwz n GLY 105 N 1.10 0.75 3.77 -0.72 0.00 0.40 -5.05 105.19 105.44 2cwz n GLY 105 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.72 6.51 -0.52 1.61 1.01 -1.26 -4.75 116.67 116.56 2cwz s ASP 106 Ca 0.00 2.50 -0.28 0.00 0.71 0.00 0.00 52.55 55.48 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 -0.70 1.13 -0.22 0.21 0.00 0.00 175.17 175.60 2cwz s LEU 107 N -2.33 3.62 0.06 1.23 2.96 -1.26 -1.59 118.68 121.37 2cwz s LEU 107 Ca 0.55 0.25 0.23 0.00 -0.22 0.00 0.00 54.13 54.94 2cwz s LEU 107 Cb -0.35 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.07 2cwz s LEU 107 CO 0.44 -1.33 1.03 2.30 -1.32 0.00 0.00 176.35 177.47 2cwz n ILE 108 N 6.71 0.20 -3.54 6.68 -5.35 0.48 -3.88 119.36 120.66 2cwz n ILE 108 Ca 0.10 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 2cwz n ILE 108 Cb 0.49 0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.51 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 -3.71 -0.38 -0.01 3.28 0.00 -1.07 -0.60 107.32 104.84 2cwz s GLY 109 Ca 0.03 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.36 2cwz s GLY 109 CO 0.80 0.80 -0.05 0.14 0.00 0.00 0.00 173.10 174.79 2cwz s VAL 110 N -1.77 0.38 0.17 1.40 1.01 -0.97 -0.86 120.40 119.76 2cwz s VAL 110 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 2cwz s VAL 110 Cb -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2cwz s VAL 110 CO -0.01 0.12 0.32 0.61 0.00 0.00 0.00 175.10 176.14 2cwz n GLY 111 N 3.12 1.77 3.21 4.51 0.00 0.40 -0.83 105.19 117.38 2cwz n GLY 111 Ca -0.15 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2cwz n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cwz s ARG 112 N -2.10 0.56 0.07 1.61 3.52 -0.91 -0.69 118.95 121.02 2cwz s ARG 112 Ca 0.08 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 2cwz s ARG 112 Cb -0.02 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.58 2cwz s ARG 112 CO 0.06 -0.14 -0.05 0.95 -0.81 0.00 0.00 175.30 175.31 2cwz s THR 113 N -0.94 0.49 -0.04 4.11 -4.23 -0.38 -1.66 115.64 112.99 2cwz s THR 113 Ca -0.10 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2cwz s THR 113 Cb -0.05 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.32 2cwz s THR 113 CO 0.03 -0.87 -0.09 -1.61 -0.54 0.00 0.00 174.62 171.54 2cwz s GLU 114 N -3.61 1.17 -0.01 3.99 2.02 -0.10 -1.72 118.70 120.44 2cwz s GLU 114 Ca 0.07 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 54.83 2cwz s GLU 114 Cb 0.05 -1.05 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 2cwz s GLU 114 CO -0.06 0.04 -0.18 -0.65 0.02 0.00 0.00 175.26 174.43 2cwz s GLN 115 N 0.53 1.42 -0.13 1.61 -0.21 -0.49 -0.89 119.66 121.51 2cwz s GLN 115 Ca -0.09 -0.66 -0.03 0.00 0.02 0.00 0.00 55.36 54.60 2cwz s GLN 115 Cb -0.13 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.47 2cwz s GLN 115 CO 0.01 0.38 -0.02 0.08 -2.12 0.00 0.00 175.29 173.62 2cwz s VAL 116 N -0.45 4.05 -0.25 1.09 1.01 0.00 -0.36 120.40 125.49 2cwz s VAL 116 Ca 0.07 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2cwz s VAL 116 Cb -0.07 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2cwz s VAL 116 CO -0.00 0.54 0.22 -0.63 0.00 0.00 0.00 175.10 175.22 2cwz s ILE 117 N -0.14 5.31 0.04 2.22 -1.09 0.51 -0.89 121.20 127.16 2cwz s ILE 117 Ca 0.03 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 2cwz s ILE 117 Cb -0.13 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2cwz s ILE 117 CO 0.02 0.28 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.22 2cwz s LEU 118 N 1.45 2.42 0.37 2.97 1.43 -0.10 -4.87 118.68 122.34 2cwz s LEU 118 Ca 0.09 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.06 2cwz s LEU 118 Cb -0.15 0.15 -0.10 0.00 0.03 0.00 0.00 46.19 46.12 2cwz s LEU 118 CO 0.08 -0.50 1.38 -2.84 0.23 0.00 0.00 176.35 174.69 2cwz s PRO 119 N -3.18 4.17 0.32 1.29 0.02 -1.26 -0.50 135.00 135.85 2cwz s PRO 119 Ca 0.00 2.34 0.08 0.00 0.02 0.00 0.00 61.00 63.45 2cwz s PRO 119 Cb 0.02 -2.96 0.80 0.00 0.02 0.00 0.00 34.50 32.38 2cwz s PRO 119 CO -0.07 -0.39 1.77 1.57 -0.33 0.00 0.00 177.00 179.55 2cwz h LYS 120 N 3.08 0.68 -0.81 5.54 2.10 0.67 0.70 116.57 128.53 2cwz h LYS 120 Ca -0.50 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.08 2cwz h LYS 120 Cb 1.24 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 2cwz h LYS 120 CO 0.64 0.45 0.38 0.00 -2.00 0.00 0.00 179.45 178.92 2cwz h ALA 121 N 1.66 1.04 -0.47 0.07 0.00 -1.89 -1.29 119.26 118.37 2cwz h ALA 121 Ca 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2cwz h ALA 121 Cb 1.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2cwz h ALA 121 CO -0.39 0.61 0.24 -0.22 0.00 0.00 0.00 179.25 179.50 2cwz h LYS 122 N 1.15 0.67 -0.02 0.00 1.63 -1.23 -0.01 116.57 118.76 2cwz h LYS 122 Ca 0.28 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2cwz h LYS 122 Cb 0.12 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2cwz h LYS 122 CO -0.03 0.55 0.01 0.28 -3.45 0.00 0.00 179.45 176.80 2cwz h VAL 123 N 0.62 1.07 -0.96 2.00 2.07 -1.12 -1.36 116.25 118.58 2cwz h VAL 123 Ca 0.16 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2cwz h VAL 123 Cb 0.09 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2cwz h VAL 123 CO -0.02 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.91 2cwz h GLU 124 N -0.05 1.12 -0.56 1.57 5.08 -1.06 -1.58 114.58 119.10 2cwz h GLU 124 Ca 0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2cwz h GLU 124 Cb 0.08 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2cwz h GLU 124 CO -0.00 0.74 0.15 0.00 -1.00 0.00 0.00 179.01 178.90 2cwz h ALA 125 N 1.42 1.21 -0.36 3.43 0.00 -0.62 0.36 119.26 124.70 2cwz h ALA 125 Ca 0.40 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2cwz h ALA 125 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2cwz h ALA 125 CO -0.15 0.55 -0.04 -0.07 0.00 0.00 0.00 179.25 179.54 2cwz h LEU 126 N 0.82 0.66 -0.76 0.00 3.38 -0.32 -0.77 115.31 118.32 2cwz h LEU 126 Ca 0.18 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2cwz h LEU 126 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2cwz h LEU 126 CO -0.00 0.84 -0.30 -0.26 0.09 0.00 0.00 178.44 178.80 2cwz h PHE 127 N 0.48 0.69 -0.43 1.13 0.04 -1.11 -2.46 116.94 115.27 2cwz h PHE 127 Ca 0.10 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 2cwz h PHE 127 Cb 0.52 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2cwz h PHE 127 CO 0.04 0.83 -0.17 -0.09 -0.60 0.00 0.00 178.31 178.32 2cwz h ARG 128 N 0.51 0.88 -0.82 1.51 2.43 -0.78 -2.01 114.38 116.11 2cwz h ARG 128 Ca 0.06 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 2cwz h ARG 128 Cb 0.78 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2cwz h ARG 128 CO 0.06 1.02 0.37 -0.09 -1.51 0.00 0.00 179.97 179.82 2cwz h ARG 129 N 0.71 1.20 -0.64 0.20 9.65 -1.02 -1.23 114.38 123.25 2cwz h ARG 129 Ca 0.10 -0.19 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 2cwz h ARG 129 Cb 0.73 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2cwz h ARG 129 CO 0.06 0.94 0.15 1.25 2.80 0.00 0.00 179.97 185.16 2cwz h LEU 130 N 1.18 0.98 -0.75 3.80 5.85 -1.30 -2.03 115.31 123.04 2cwz h LEU 130 Ca 0.28 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2cwz h LEU 130 Cb 0.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2cwz h LEU 130 CO -0.03 0.97 0.31 0.50 -0.34 0.00 0.00 178.44 179.84 2cwz h LYS 131 N 0.95 1.11 -0.65 1.25 3.64 -0.91 -1.86 116.57 120.10 2cwz h LYS 131 Ca 0.20 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2cwz h LYS 131 Cb 0.37 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2cwz h LYS 131 CO 0.00 0.90 0.25 0.93 -2.27 0.00 0.00 179.45 179.27 2cwz h GLU 132 N 1.07 0.99 -0.71 1.90 5.08 -0.95 -1.05 114.58 120.91 2cwz h GLU 132 Ca 0.25 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2cwz h GLU 132 Cb 0.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2cwz h GLU 132 CO -0.02 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 179.02 2cwz h ARG 133 N 0.93 1.11 -0.39 2.33 3.08 -1.12 -1.07 114.38 119.25 2cwz h ARG 133 Ca 0.22 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2cwz h ARG 133 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2cwz h ARG 133 CO -0.02 0.96 0.10 2.35 -1.07 0.00 0.00 179.97 182.29 2cwz h TRP 134 N 1.06 0.66 0.00 3.04 7.01 -0.98 -2.62 115.95 124.11 2cwz h TRP 134 Ca 0.23 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 2cwz h TRP 134 Cb 0.33 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2cwz h TRP 134 CO 0.03 0.63 -0.29 0.93 -2.79 0.00 0.00 178.44 176.95 2cwz h GLU 135 N 0.49 0.00 0.00 2.65 5.08 -1.00 -2.19 114.58 119.61 2cwz h GLU 135 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2cwz h GLU 135 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2cwz h GLU 135 CO 0.00 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 2cwz n ALA 136 N -2.33 1.51 1.43 3.43 0.00 -0.42 -5.10 120.51 119.03 2cwz n ALA 136 Ca -0.01 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2cwz n ALA 136 Cb 0.40 -1.18 0.47 0.00 0.00 0.00 0.00 19.45 19.13 2cwz n ALA 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89