#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 -0.06 5.56 0.04 -1.26 -4.88 135.00 138.60 2cwz s PRO 3 Ca 0.00 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 2cwz s PRO 3 Cb 0.00 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2cwz s PRO 3 CO 0.00 -0.72 0.92 0.42 0.04 0.00 0.00 177.00 177.66 2cwz s ILE 4 N 2.51 4.88 0.53 0.56 1.01 -1.26 -5.01 121.20 124.41 2cwz s ILE 4 Ca 0.73 1.90 -0.22 0.00 0.00 0.00 0.00 60.65 63.05 2cwz s ILE 4 Cb -0.40 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.77 2cwz s ILE 4 CO 0.32 0.11 1.38 -2.65 0.00 0.00 0.00 174.94 174.10 2cwz n PRO 5 N 4.36 1.82 -2.02 2.79 -0.02 -1.26 -4.91 135.00 135.77 2cwz n PRO 5 Ca 0.05 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2cwz n PRO 5 Cb 0.50 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 -2.80 4.26 0.00 -0.52 2.12 -1.26 -2.04 118.70 118.46 2cwz s GLU 6 Ca 0.69 2.28 0.00 0.00 0.36 0.00 0.00 54.97 58.30 2cwz s GLU 6 Cb -0.42 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 30.81 2cwz s GLU 6 CO 0.51 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2cwz n GLY 7 N 3.03 0.80 3.63 -1.50 0.00 -0.17 -4.98 105.19 106.00 2cwz n GLY 7 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.32 1.92 -4.81 1.61 4.19 -0.87 -4.41 117.16 112.48 2cwz n TYR 8 Ca 0.00 0.44 -0.33 0.00 3.31 0.00 0.00 57.90 61.32 2cwz n TYR 8 Cb 0.00 -2.45 -0.13 0.00 0.49 0.00 0.00 39.34 37.25 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 0.85 2.89 0.02 2.98 2.12 -1.26 -0.33 118.70 125.96 2cwz s GLU 9 Ca 0.82 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 55.52 2cwz s GLU 9 Cb -0.81 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2cwz s GLU 9 CO 0.43 0.47 -0.13 0.00 -0.54 0.00 0.00 175.26 175.49 2cwz s ALA 10 N -0.31 1.05 0.11 6.30 0.00 -0.36 -4.99 121.76 123.56 2cwz s ALA 10 Ca 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2cwz s ALA 10 Cb -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2cwz s ALA 10 CO 0.03 0.21 -0.15 0.14 0.00 0.00 0.00 175.76 175.99 2cwz s VAL 11 N -0.68 1.33 -0.08 0.00 -7.23 -1.26 -1.03 120.40 111.45 2cwz s VAL 11 Ca 0.02 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2cwz s VAL 11 Cb -0.07 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.44 2cwz s VAL 11 CO 0.01 -0.35 -0.07 0.12 -0.31 0.00 0.00 175.10 174.50 2cwz s PHE 12 N -1.91 1.20 -0.03 2.82 5.36 -0.18 -4.92 117.98 120.32 2cwz s PHE 12 Ca 0.07 -0.49 0.06 0.00 -0.96 0.00 0.00 56.93 55.61 2cwz s PHE 12 Cb -0.06 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 2cwz s PHE 12 CO 0.03 -0.36 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.01 2cwz s GLU 13 N 1.35 2.30 0.28 10.12 2.02 -1.26 -0.58 118.70 132.92 2cwz s GLU 13 Ca -0.03 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 2cwz s GLU 13 Cb -0.14 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.92 2cwz s GLU 13 CO -0.03 0.58 0.43 -2.37 0.02 0.00 0.00 175.26 173.88 2cwz n THR 14 N 2.41 0.00 -4.33 3.63 5.66 -0.47 -5.01 114.28 116.17 2cwz n THR 14 Ca -0.17 -1.21 -0.22 0.00 -3.05 0.00 0.00 64.05 59.41 2cwz n THR 14 Cb 0.52 0.81 -0.16 0.00 -1.55 0.00 0.00 70.33 69.94 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 -2.63 0.81 -0.01 1.08 1.01 -1.26 -0.57 120.40 118.83 2cwz s VAL 15 Ca 0.20 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2cwz s VAL 15 Cb -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 2cwz s VAL 15 CO 0.14 0.29 2.03 0.52 0.00 0.00 0.00 175.10 178.08 2cwz n VAL 16 N 3.99 0.69 -3.61 2.92 0.31 -1.26 -4.87 118.33 116.49 2cwz n VAL 16 Ca -0.23 -0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 63.67 2cwz n VAL 16 Cb 0.51 -2.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.06 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 5.25 4.98 0.49 2.52 -4.23 -1.26 0.08 115.64 123.48 2cwz s THR 17 Ca 0.91 -0.75 0.22 0.00 -1.18 0.00 0.00 61.69 60.90 2cwz s THR 17 Cb -0.41 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.03 2cwz s THR 17 CO 0.41 -0.40 1.96 -0.65 -0.54 0.00 0.00 174.62 175.40 2cwz h PRO 18 N 0.92 0.15 -2.44 3.99 0.11 -1.97 -3.35 132.00 129.40 2cwz h PRO 18 Ca -0.50 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 2cwz h PRO 18 Cb 1.23 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2cwz h PRO 18 CO 0.60 0.10 0.06 -1.91 -0.21 0.00 0.00 178.00 176.64 2cwz n GLU 19 N -4.41 1.22 -1.10 1.05 2.13 -1.26 -4.95 120.64 113.31 2cwz n GLU 19 Ca 0.12 -0.62 0.11 0.00 0.66 0.00 0.00 57.16 57.43 2cwz n GLU 19 Cb 0.60 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.44 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 2.75 -0.39 -1.79 6.31 -2.24 -1.26 -4.99 114.28 112.68 2cwz n THR 21 Ca 0.26 0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 62.13 2cwz n THR 21 Cb 0.53 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -4.08 3.22 -0.11 2.28 1.01 -0.88 -4.65 120.40 117.17 2cwz s VAL 22 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 2cwz s VAL 22 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2cwz s VAL 22 CO 0.00 -0.26 0.24 -0.60 0.00 0.00 0.00 175.10 174.48 2cwz s ARG 23 N 6.55 0.15 0.27 2.72 3.52 -1.26 -0.82 118.95 130.08 2cwz s ARG 23 Ca 0.89 0.65 0.10 0.00 -0.13 0.00 0.00 55.73 57.23 2cwz s ARG 23 Cb -0.24 -0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 2cwz s ARG 23 CO 0.31 -0.25 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.48 2cwz s PHE 24 N 2.04 2.66 0.50 5.12 0.08 -0.77 -4.95 117.98 122.66 2cwz s PHE 24 Ca -0.02 -0.25 -0.21 0.00 0.12 0.00 0.00 56.93 56.58 2cwz s PHE 24 Cb -0.12 -1.22 -0.07 0.00 -0.57 0.00 0.00 43.02 41.05 2cwz s PHE 24 CO -0.08 0.61 1.10 -1.21 -0.10 0.00 0.00 175.22 175.54 2cwz s GLU 25 N -3.67 3.62 0.00 0.44 8.01 -1.26 -0.68 118.70 125.15 2cwz s GLU 25 Ca 0.32 1.55 0.00 0.00 0.01 0.00 0.00 54.97 56.85 2cwz s GLU 25 Cb -0.06 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.63 2cwz s GLU 25 CO 0.20 -0.62 0.00 0.39 0.01 0.00 0.00 175.26 175.24 2cwz n GLU 26 N -0.98 0.00 0.06 1.61 1.02 -1.26 -4.42 120.64 116.67 2cwz n GLU 26 Ca 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 2cwz n GLU 26 Cb 0.51 0.00 -0.13 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 0.18 0.00 -4.62 3.38 -2.00 -3.50 115.31 108.75 2cwz h LEU 27 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 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 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2cwz n GLY 28 N 1.48 -1.66 3.75 0.83 0.00 0.14 -4.88 105.19 104.85 2cwz n GLY 28 Ca -0.07 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 2.69 0.02 1.61 -0.02 -1.26 -1.85 135.00 136.19 2cwz n PRO 29 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2cwz n PRO 29 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 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 1.56 0.57 -4.03 -1.45 0.31 -0.00 -4.94 118.33 110.34 2cwz n VAL 30 Ca 0.06 0.19 -0.17 0.00 -0.01 0.00 0.00 64.34 64.41 2cwz n VAL 30 Cb 0.37 -1.52 -0.15 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 0.40 -0.01 3.52 3.76 -1.15 -5.05 115.29 114.76 2cwz s HIS 31 Ca 0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.81 2cwz s HIS 31 Cb 0.00 -0.38 -0.16 0.00 1.11 0.00 0.00 32.58 33.15 2cwz s HIS 31 CO 0.00 -0.09 2.99 -0.35 -0.85 0.00 0.00 174.74 176.44 2cwz n PRO 32 N 3.66 1.63 -4.17 8.40 -0.04 -1.26 -2.08 135.00 141.15 2cwz n PRO 32 Ca -0.21 -0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 62.49 2cwz n PRO 32 Cb 0.54 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.55 0.35 -0.22 0.52 -7.23 -1.26 -4.39 120.40 108.71 2cwz s VAL 33 Ca 0.42 -1.91 -0.39 0.00 -1.81 0.00 0.00 61.98 58.28 2cwz s VAL 33 Cb 0.20 -1.92 -0.15 0.00 0.56 0.00 0.00 36.38 35.07 2cwz s VAL 33 CO -0.00 -0.62 1.75 0.00 -0.31 0.00 0.00 175.10 175.92 2cwz n TYR 34 N -0.09 2.09 -2.51 2.82 9.36 -0.09 -2.35 117.16 126.38 2cwz n TYR 34 Ca -0.08 0.43 -0.35 0.00 3.32 0.00 0.00 57.90 61.22 2cwz n TYR 34 Cb 0.63 -2.49 -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 3.50 2.96 0.23 2.98 0.00 -1.26 -4.77 121.76 125.40 2cwz s ALA 35 Ca 0.97 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.52 2cwz s ALA 35 Cb -0.99 -3.27 0.22 0.00 0.00 0.00 0.00 23.12 19.08 2cwz s ALA 35 CO 0.62 -0.31 1.91 1.15 0.00 0.00 0.00 175.76 179.12 2cwz h THR 36 N 1.82 1.22 0.00 0.00 2.02 -1.97 -1.95 112.91 114.05 2cwz h THR 36 Ca -0.49 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 2cwz h THR 36 Cb 1.22 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2cwz h THR 36 CO 0.60 0.22 -0.17 0.10 0.37 0.00 0.00 175.52 176.64 2cwz h TYR 37 N 1.20 0.00 0.00 3.16 -0.00 -2.01 0.06 116.97 119.39 2cwz h TYR 37 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.06 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 -0.01 0.17 0.00 0.91 -0.00 0.00 0.00 178.16 179.23 2cwz n TRP 38 N -3.50 0.00 0.00 0.10 7.02 -0.74 -1.95 117.44 118.37 2cwz n TRP 38 Ca -0.01 -0.51 0.00 0.00 -1.02 0.00 0.00 57.50 55.96 2cwz n TRP 38 Cb 0.33 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 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 0.72 0.00 -0.23 -0.99 0.31 0.01 -1.63 118.33 116.52 2cwz n VAL 40 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2cwz n VAL 40 Cb 0.44 0.00 0.04 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 0.85 -1.75 5.55 3.64 -1.66 -1.09 116.57 122.11 2cwz h LYS 41 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2cwz h LYS 41 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2cwz h LYS 41 CO 0.00 0.57 0.00 0.72 -2.27 0.00 0.00 179.45 178.47 2cwz n HIS 42 N -4.63 0.00 0.00 1.91 8.25 -0.65 -1.39 115.22 118.72 2cwz n HIS 42 Ca 0.05 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 2cwz n HIS 42 Cb 0.02 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 1.27 0.00 -0.10 -0.41 1.02 -0.41 -1.15 120.64 120.86 2cwz n GLU 44 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2cwz n GLU 44 Cb 0.29 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.41 -0.84 -4.62 5.85 -1.48 0.56 115.31 115.19 2cwz h LEU 45 Ca 0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2cwz h LEU 45 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2cwz h LEU 45 CO 0.00 0.40 0.32 0.00 -0.34 0.00 0.00 178.44 178.82 2cwz h ALA 46 N 1.03 1.07 -0.52 1.25 0.00 -1.41 -2.30 119.26 118.38 2cwz h ALA 46 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2cwz h ALA 46 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2cwz h ALA 46 CO -0.02 0.66 0.05 0.78 0.00 0.00 0.00 179.25 180.72 2cwz h GLY 47 N 1.16 0.90 1.82 0.00 0.00 -1.71 -2.71 103.07 102.53 2cwz h GLY 47 Ca 0.26 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2cwz h GLY 47 CO -0.02 0.54 -0.31 -0.09 0.00 0.00 0.00 176.54 176.66 2cwz h ARG 48 N 0.79 0.21 0.00 4.80 2.43 -0.45 -1.99 114.38 120.17 2cwz h ARG 48 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2cwz h ARG 48 Cb 0.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2cwz h ARG 48 CO 0.01 0.51 0.00 0.87 -1.51 0.00 0.00 179.97 179.85 2cwz h LYS 49 N 0.19 0.00 -0.07 0.20 1.57 -1.09 -2.31 116.57 115.05 2cwz h LYS 49 Ca 0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 2cwz h LYS 49 Cb 0.64 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.97 2cwz h LYS 49 CO 0.05 0.00 -0.91 0.82 -0.57 0.00 0.00 179.45 178.83 2cwz h ILE 50 N 0.00 1.28 0.00 1.86 2.04 -1.32 -3.36 117.51 118.01 2cwz h ILE 50 Ca 0.00 -2.12 -0.17 0.00 1.00 0.00 0.00 64.86 63.57 2cwz h ILE 50 Cb 0.30 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2cwz h ILE 50 CO 0.00 0.66 -1.10 0.16 0.00 0.00 0.00 178.15 177.87 2cwz h ILE 51 N 0.46 0.83 -0.76 -0.67 3.07 -1.48 -3.39 117.51 115.57 2cwz h ILE 51 Ca -0.09 -2.35 0.14 0.00 1.55 0.00 0.00 64.86 64.11 2cwz h ILE 51 Cb 1.55 2.32 -0.09 0.00 -0.27 0.00 0.00 36.82 40.33 2cwz h ILE 51 CO 0.18 0.47 0.32 -0.07 -1.05 0.00 0.00 178.15 178.00 2cwz h LEU 52 N 0.00 0.32 -2.34 0.16 3.38 -1.60 -0.65 115.31 114.58 2cwz h LEU 52 Ca -0.11 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cwz h LEU 52 Cb 1.60 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2cwz h LEU 52 CO 0.07 0.12 0.00 -0.65 0.09 0.00 0.00 178.44 178.07 2cwz h PRO 53 N 0.47 0.00 0.00 1.13 0.11 -1.78 -3.07 132.00 128.86 2cwz h PRO 53 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2cwz h PRO 53 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2cwz h PRO 53 CO -0.39 0.00 -0.87 1.19 -0.21 0.00 0.00 178.00 177.72 2cwz n PHE 54 N -3.03 0.00 -1.82 0.65 3.72 -0.31 -4.99 117.46 111.68 2cwz n PHE 54 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2cwz n PHE 54 Cb 0.16 -0.05 -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 -2.92 4.36 0.58 4.37 1.43 -0.84 -1.46 118.68 124.21 2cwz s LEU 55 Ca 0.04 2.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.96 2cwz s LEU 55 Cb 0.12 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.78 2cwz s LEU 55 CO 0.65 -0.90 0.81 -1.61 0.23 0.00 0.00 176.35 175.53 2cwz s GLU 56 N 0.60 2.39 0.02 1.70 2.02 -1.26 -4.92 118.70 119.25 2cwz s GLU 56 Ca 0.69 -0.86 -0.38 0.00 0.02 0.00 0.00 54.97 54.44 2cwz s GLU 56 Cb -0.47 -2.46 -0.18 0.00 0.10 0.00 0.00 34.13 31.12 2cwz s GLU 56 CO 0.37 -0.85 1.29 -1.91 0.02 0.00 0.00 175.26 174.18 2cwz n GLU 57 N -2.43 0.78 -0.94 1.61 4.07 -1.26 -1.40 120.64 121.08 2cwz n GLU 57 Ca 0.09 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 2cwz n GLU 57 Cb 0.60 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 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 2.36 0.41 3.90 8.31 0.00 -1.26 -5.01 105.19 113.90 2cwz n GLY 58 Ca 0.20 0.00 -0.29 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 -0.63 3.63 0.05 1.61 2.02 -0.49 0.20 118.70 125.09 2cwz s GLU 59 Ca 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 2cwz s GLU 59 Cb 0.00 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2cwz s GLU 59 CO 0.00 0.28 0.10 -2.00 0.02 0.00 0.00 175.26 173.66 2cwz s GLU 60 N -3.35 0.64 -0.02 1.61 2.56 0.52 -4.68 118.70 115.99 2cwz s GLU 60 Ca 0.43 -0.83 0.07 0.00 0.00 0.00 0.00 54.97 54.64 2cwz s GLU 60 Cb -0.11 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.25 2cwz s GLU 60 CO 0.28 -0.17 -0.22 0.20 -0.56 0.00 0.00 175.26 174.80 2cwz s GLY 61 N -2.33 1.38 -0.01 -1.50 0.00 -1.26 -0.92 107.32 102.67 2cwz s GLY 61 Ca -0.02 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.64 2cwz s GLY 61 CO -0.06 -0.91 -0.13 -0.42 0.00 0.00 0.00 173.10 171.57 2cwz s ILE 62 N -0.69 1.06 0.14 0.90 1.01 -0.30 -4.95 121.20 118.37 2cwz s ILE 62 Ca 0.11 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 2cwz s ILE 62 Cb -0.10 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.40 2cwz s ILE 62 CO 0.00 0.30 1.36 -0.83 0.00 0.00 0.00 174.94 175.78 2cwz s GLY 63 N -0.22 2.13 -0.00 6.18 0.00 -1.26 -0.72 107.32 113.42 2cwz s GLY 63 Ca 0.03 1.12 0.01 0.00 0.00 0.00 0.00 44.72 45.87 2cwz s GLY 63 CO -0.00 2.26 0.01 -1.26 0.00 0.00 0.00 173.10 174.10 2cwz n SER 64 N 3.52 4.87 -3.59 1.64 2.88 -0.05 -4.89 113.62 118.00 2cwz n SER 64 Ca 0.10 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.48 2cwz n SER 64 Cb 0.42 0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 64.49 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 -0.61 -0.06 0.66 6.14 -1.05 -4.95 117.35 115.46 2cwz s TYR 65 Ca -0.00 1.20 -0.17 0.00 0.64 0.00 0.00 57.07 58.74 2cwz s TYR 65 Cb 0.00 0.32 0.04 0.00 0.42 0.00 0.00 41.96 42.74 2cwz s TYR 65 CO 0.02 -0.50 0.40 0.54 0.64 0.00 0.00 175.55 176.66 2cwz s VAL 66 N -0.74 0.03 -0.05 3.14 0.11 -1.26 -0.92 120.40 120.71 2cwz s VAL 66 Ca -0.08 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.60 2cwz s VAL 66 Cb -0.02 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2cwz s VAL 66 CO 0.06 -0.14 0.26 -1.83 -3.33 0.00 0.00 175.10 170.12 2cwz s GLU 67 N -0.84 0.49 -0.21 1.54 -1.05 -0.63 -4.99 118.70 113.02 2cwz s GLU 67 Ca -0.09 -0.01 -0.15 0.00 -0.15 0.00 0.00 54.97 54.56 2cwz s GLU 67 Cb -0.04 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.93 2cwz s GLU 67 CO 0.04 -0.11 0.53 0.00 0.95 0.00 0.00 175.26 176.67 2cwz s ALA 68 N -0.76 -1.34 -0.20 -0.84 0.00 -1.26 -2.04 121.76 115.31 2cwz s ALA 68 Ca -0.09 1.68 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 2cwz s ALA 68 Cb -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2cwz s ALA 68 CO 0.02 -0.28 -0.05 0.50 0.00 0.00 0.00 175.76 175.95 2cwz s ARG 69 N 0.85 3.42 -0.47 0.00 3.52 0.11 -4.98 118.95 121.39 2cwz s ARG 69 Ca -0.05 -0.62 -0.23 0.00 -0.13 0.00 0.00 55.73 54.70 2cwz s ARG 69 Cb -0.05 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2cwz s ARG 69 CO -0.07 -0.10 0.82 -1.58 -0.81 0.00 0.00 175.30 173.56 2cwz s HIS 70 N 1.22 2.95 -0.16 5.12 2.46 -1.26 -2.30 115.29 123.32 2cwz s HIS 70 Ca 0.03 0.10 -0.08 0.00 0.47 0.00 0.00 55.06 55.58 2cwz s HIS 70 Cb -0.14 -3.76 -0.23 0.00 -0.13 0.00 0.00 32.58 28.31 2cwz s HIS 70 CO -0.01 -1.07 0.21 1.28 -2.47 0.00 0.00 174.74 172.67 2cwz n LEU 71 N 6.87 2.56 -4.21 8.88 4.77 0.19 -4.98 117.00 131.08 2cwz n LEU 71 Ca 0.02 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2cwz n LEU 71 Cb 0.48 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 2cwz n LEU 71 CO 0.60 0.78 -0.12 0.00 -1.33 0.00 0.00 177.39 177.32 2cwz s ALA 72 N -2.52 1.31 0.33 -1.18 0.00 -1.10 -4.98 121.76 113.61 2cwz s ALA 72 Ca -0.26 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.00 2cwz s ALA 72 Cb 0.07 1.38 -0.03 0.00 0.00 0.00 0.00 23.12 24.54 2cwz s ALA 72 CO 0.70 -0.66 0.24 -1.12 0.00 0.00 0.00 175.76 174.92 2cwz s SER 73 N -3.24 5.14 -0.08 0.00 0.01 -1.26 -4.62 113.70 109.64 2cwz s SER 73 Ca 0.38 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2cwz s SER 73 Cb 0.04 -0.94 0.02 0.00 0.21 0.00 0.00 66.02 65.35 2cwz s SER 73 CO 0.19 -0.30 -0.07 0.00 0.41 0.00 0.00 173.24 173.47 2cwz s ALA 74 N -2.32 1.08 0.48 1.44 0.00 -1.26 -4.87 121.76 116.31 2cwz s ALA 74 Ca 0.39 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 2cwz s ALA 74 Cb -0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2cwz s ALA 74 CO 0.25 -0.25 0.85 -0.51 0.00 0.00 0.00 175.76 176.10 2cwz s LEU 75 N 1.41 3.64 0.33 0.00 1.43 -1.26 -0.92 118.68 123.32 2cwz s LEU 75 Ca -0.02 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 2cwz s LEU 75 Cb -0.13 -4.11 -0.12 0.00 0.03 0.00 0.00 46.19 41.85 2cwz s LEU 75 CO -0.04 -0.55 1.42 -2.65 0.23 0.00 0.00 176.35 174.76 2cwz n PRO 76 N -1.86 2.40 -0.36 1.29 -0.02 -1.26 -4.65 135.00 130.53 2cwz n PRO 76 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2cwz n PRO 76 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.07 0.52 3.35 -1.23 0.00 0.11 -4.97 105.19 104.04 2cwz n GLY 77 Ca 0.05 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 0.05 1.45 -0.02 1.61 0.52 -1.26 -4.73 118.95 116.57 2cwz s ARG 79 Ca 0.00 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 2cwz s ARG 79 Cb 0.00 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.66 2cwz s ARG 79 CO 0.00 0.44 -0.05 0.08 0.02 0.00 0.00 175.30 175.79 2cwz s VAL 80 N -1.00 0.48 -0.14 3.52 1.01 0.26 -0.81 120.40 123.72 2cwz s VAL 80 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2cwz s VAL 80 Cb -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2cwz s VAL 80 CO 0.05 0.16 -0.17 -0.60 0.00 0.00 0.00 175.10 174.54 2cwz s ARG 81 N 0.20 2.55 -0.19 2.72 3.52 -0.29 -1.37 118.95 126.08 2cwz s ARG 81 Ca -0.02 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2cwz s ARG 81 Cb -0.06 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 2cwz s ARG 81 CO -0.00 -0.15 -0.05 0.08 -0.81 0.00 0.00 175.30 174.36 2cwz s VAL 82 N 1.22 3.45 -0.23 7.11 1.01 0.25 -0.75 120.40 132.45 2cwz s VAL 82 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2cwz s VAL 82 Cb -0.14 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2cwz s VAL 82 CO -0.08 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 2cwz s VAL 83 N 1.08 2.66 -0.10 2.92 1.01 0.87 -1.01 120.40 127.84 2cwz s VAL 83 Ca 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2cwz s VAL 83 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2cwz s VAL 83 CO -0.00 0.26 0.01 0.00 0.00 0.00 0.00 175.10 175.37 2cwz s ALA 84 N 1.30 3.29 -0.04 5.51 0.00 -0.19 -1.22 121.76 130.40 2cwz s ALA 84 Ca 0.01 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2cwz s ALA 84 Cb -0.16 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.43 2cwz s ALA 84 CO -0.06 0.52 -0.10 1.03 0.00 0.00 0.00 175.76 177.15 2cwz s ARG 85 N -0.68 1.27 0.02 0.00 0.52 0.13 -1.22 118.95 118.98 2cwz s ARG 85 Ca 0.11 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2cwz s ARG 85 Cb -0.12 -1.12 -0.08 0.00 0.52 0.00 0.00 34.95 34.15 2cwz s ARG 85 CO 0.02 0.08 1.81 -1.58 0.02 0.00 0.00 175.30 175.65 2cwz s HIS 86 N 0.41 1.71 -0.18 -0.53 5.65 0.55 -1.26 115.29 121.65 2cwz s HIS 86 Ca -0.08 -0.12 -0.17 0.00 0.25 0.00 0.00 55.06 54.95 2cwz s HIS 86 Cb -0.12 -4.10 -0.13 0.00 -1.18 0.00 0.00 32.58 27.06 2cwz s HIS 86 CO 0.02 -4.74 0.07 1.49 -0.65 0.00 0.00 174.74 170.92 2cwz h GLU 87 N 9.83 0.00 -1.98 2.88 4.57 -1.00 -0.42 114.58 128.46 2cwz h GLU 87 Ca -0.45 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 57.94 2cwz h GLU 87 Cb 1.21 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 2cwz h GLU 87 CO 0.94 0.61 0.62 -1.59 -1.18 0.00 0.00 179.01 178.41 2cwz s LYS 88 N -2.30 0.77 -0.10 1.92 -2.85 -1.13 -4.76 119.74 111.30 2cwz s LYS 88 Ca -0.23 -0.38 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 2cwz s LYS 88 Cb 0.04 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2cwz s LYS 88 CO 0.44 -0.35 -0.11 0.99 0.10 0.00 0.00 175.35 176.43 2cwz s THR 89 N -2.91 1.17 -0.32 3.79 2.01 -1.26 -0.48 115.64 117.65 2cwz s THR 89 Ca 0.10 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 2cwz s THR 89 Cb 0.00 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.46 2cwz s THR 89 CO -0.03 0.38 0.03 -1.61 -0.69 0.00 0.00 174.62 172.70 2cwz s GLU 90 N 1.27 2.20 7.91 4.92 0.41 0.34 -4.96 118.70 130.79 2cwz s GLU 90 Ca -0.03 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 53.07 2cwz s GLU 90 Cb -0.14 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 2cwz s GLU 90 CO -0.04 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 2cwz n GLY 91 N 4.55 4.02 1.66 -1.39 0.00 -1.26 -0.96 105.19 111.81 2cwz n GLY 91 Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 9.12 4.69 -4.18 1.61 6.94 -1.26 -4.91 115.26 127.26 2cwz n ASN 92 Ca 0.00 -3.15 -0.33 0.00 -0.02 0.00 0.00 54.58 51.08 2cwz n ASN 92 Cb 0.00 -0.68 -0.16 0.00 -2.36 0.00 0.00 39.78 36.59 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 -2.93 3.11 -0.24 -3.83 3.52 -0.13 0.12 118.95 118.57 2cwz s ARG 93 Ca 0.51 -0.78 -0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2cwz s ARG 93 Cb 0.41 -2.66 -0.05 0.00 -1.56 0.00 0.00 34.95 31.09 2cwz s ARG 93 CO 0.12 -0.16 0.15 0.08 -0.81 0.00 0.00 175.30 174.68 2cwz s VAL 94 N 1.23 5.26 -0.16 7.11 1.01 0.33 -0.50 120.40 134.68 2cwz s VAL 94 Ca 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2cwz s VAL 94 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2cwz s VAL 94 CO -0.08 0.35 0.06 -0.31 0.00 0.00 0.00 175.10 175.12 2cwz s TYR 95 N 1.03 3.26 0.02 5.22 1.51 0.37 -1.48 117.35 127.28 2cwz s TYR 95 Ca 0.07 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 2cwz s TYR 95 Cb -0.13 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2cwz s TYR 95 CO 0.04 0.26 -0.08 0.00 -1.11 0.00 0.00 175.55 174.66 2cwz s ALA 96 N 0.01 0.68 -0.11 3.71 0.00 -0.78 -0.30 121.76 124.98 2cwz s ALA 96 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2cwz s ALA 96 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2cwz s ALA 96 CO 0.01 0.11 0.04 1.03 0.00 0.00 0.00 175.76 176.96 2cwz s ARG 97 N -0.71 3.22 0.06 0.00 0.52 -0.39 -1.11 118.95 120.56 2cwz s ARG 97 Ca -0.01 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 2cwz s ARG 97 Cb -0.05 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 2cwz s ARG 97 CO 0.00 0.67 -0.14 0.08 0.02 0.00 0.00 175.30 175.92 2cwz s VAL 98 N -0.76 1.14 0.02 3.52 1.01 0.45 -0.69 120.40 125.09 2cwz s VAL 98 Ca 0.12 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2cwz s VAL 98 Cb -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2cwz s VAL 98 CO 0.03 -0.15 -0.08 -1.61 0.00 0.00 0.00 175.10 173.29 2cwz s GLU 99 N -1.57 0.55 -0.02 2.72 2.02 -0.36 -0.52 118.70 121.52 2cwz s GLU 99 Ca -0.01 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.54 2cwz s GLU 99 Cb -0.09 -0.45 -0.01 0.00 0.10 0.00 0.00 34.13 33.67 2cwz s GLU 99 CO 0.02 0.11 -0.18 0.00 0.02 0.00 0.00 175.26 175.23 2cwz s ALA 100 N -0.73 1.49 0.07 5.21 0.00 -0.08 -0.09 121.76 127.63 2cwz s ALA 100 Ca -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2cwz s ALA 100 Cb -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2cwz s ALA 100 CO 0.00 0.35 -0.17 0.71 0.00 0.00 0.00 175.76 176.66 2cwz s TYR 101 N -0.35 1.43 0.72 0.00 1.51 0.07 -0.36 117.35 120.37 2cwz s TYR 101 Ca 0.05 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2cwz s TYR 101 Cb -0.08 -0.81 0.14 0.00 -0.11 0.00 0.00 41.96 41.10 2cwz s TYR 101 CO -0.00 0.09 0.99 0.54 -1.11 0.00 0.00 175.55 176.06 2cwz s ASN 102 N -1.58 4.35 0.48 2.29 2.20 -0.59 -1.14 114.94 120.96 2cwz s ASN 102 Ca 0.02 -0.55 0.20 0.00 -0.94 0.00 0.00 52.86 51.59 2cwz s ASN 102 Cb -0.09 0.23 1.22 0.00 -2.00 0.00 0.00 41.25 40.61 2cwz s ASN 102 CO 0.02 -1.87 1.98 -0.08 -2.94 0.00 0.00 177.10 174.21 2cwz h GLU 103 N -0.47 0.19 -0.01 3.55 4.81 -1.32 -0.31 114.58 121.02 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 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2cwz h GLU 103 CO 0.38 0.13 0.00 1.28 -0.73 0.00 0.00 179.01 180.07 2cwz n LEU 104 N -4.43 0.63 0.00 1.64 4.77 -1.26 -4.89 117.00 113.45 2cwz n LEU 104 Ca 0.11 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2cwz n LEU 104 Cb 0.52 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2cwz n LEU 104 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2cwz n GLY 105 N 1.05 0.76 3.77 -0.72 0.00 -0.13 -5.04 105.19 104.88 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 6.69 -0.46 1.61 1.01 -1.26 -4.76 116.67 116.78 2cwz s ASP 106 Ca 0.00 2.43 -0.29 0.00 0.71 0.00 0.00 52.55 55.40 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 -0.57 1.12 -0.22 0.21 0.00 0.00 175.17 175.72 2cwz s LEU 107 N -2.16 3.68 0.02 1.23 2.96 -1.26 -1.55 118.68 121.61 2cwz s LEU 107 Ca 0.53 0.51 0.22 0.00 -0.22 0.00 0.00 54.13 55.18 2cwz s LEU 107 Cb -0.33 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.77 2cwz s LEU 107 CO 0.43 -1.21 0.93 2.30 -1.32 0.00 0.00 176.35 177.49 2cwz n ILE 108 N 6.73 0.09 -3.55 6.68 -5.35 0.51 -3.82 119.36 120.65 2cwz n ILE 108 Ca 0.12 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.29 2cwz n ILE 108 Cb 0.49 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.74 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 -3.57 -0.35 -0.01 3.28 0.00 -1.08 -0.64 107.32 104.97 2cwz s GLY 109 Ca 0.04 1.71 0.02 0.00 0.00 0.00 0.00 44.72 46.48 2cwz s GLY 109 CO 0.83 0.85 -0.06 -1.34 0.00 0.00 0.00 173.10 173.38 2cwz s VAL 110 N -1.63 0.45 0.13 1.40 -7.23 -0.97 -0.91 120.40 111.64 2cwz s VAL 110 Ca -0.01 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 59.88 2cwz s VAL 110 Cb -0.01 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.57 2cwz s VAL 110 CO -0.00 0.13 0.26 0.61 -0.31 0.00 0.00 175.10 175.79 2cwz n GLY 111 N 2.99 1.66 3.22 2.32 0.00 0.32 -0.71 105.19 114.99 2cwz n GLY 111 Ca -0.13 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.03 0.64 0.09 1.61 0.52 -0.87 -0.41 118.95 118.51 2cwz s ARG 112 Ca 0.05 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 2cwz s ARG 112 Cb -0.02 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 2cwz s ARG 112 CO 0.04 -0.18 -0.05 0.95 0.02 0.00 0.00 175.30 176.09 2cwz s THR 113 N -1.37 0.55 -0.03 0.02 -4.23 -0.27 -1.60 115.64 108.72 2cwz s THR 113 Ca -0.14 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2cwz s THR 113 Cb -0.05 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.11 2cwz s THR 113 CO 0.04 -0.86 -0.06 -1.61 -0.54 0.00 0.00 174.62 171.58 2cwz s GLU 114 N -3.87 0.81 0.00 3.99 2.02 -0.10 -1.86 118.70 119.69 2cwz s GLU 114 Ca 0.12 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 54.96 2cwz s GLU 114 Cb 0.06 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 2cwz s GLU 114 CO -0.05 0.03 -0.14 -0.65 0.02 0.00 0.00 175.26 174.47 2cwz s GLN 115 N 0.43 1.11 -0.13 1.61 -0.21 -0.55 -0.87 119.66 121.04 2cwz s GLN 115 Ca -0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 2cwz s GLN 115 Cb -0.10 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 2cwz s GLN 115 CO 0.00 0.29 -0.02 0.08 -2.12 0.00 0.00 175.29 173.53 2cwz s VAL 116 N -0.47 4.09 -0.24 1.09 1.01 0.10 -0.51 120.40 125.47 2cwz s VAL 116 Ca 0.05 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2cwz s VAL 116 Cb -0.06 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2cwz s VAL 116 CO -0.00 0.53 0.29 -0.63 0.00 0.00 0.00 175.10 175.29 2cwz s ILE 117 N -0.09 5.26 0.05 2.22 -1.09 0.12 -1.15 121.20 126.51 2cwz s ILE 117 Ca 0.03 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.83 2cwz s ILE 117 Cb -0.13 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2cwz s ILE 117 CO 0.02 0.25 0.06 -0.76 -1.23 0.00 0.00 174.94 173.29 2cwz s LEU 118 N 1.51 1.98 0.32 2.97 1.43 -0.10 -4.86 118.68 121.94 2cwz s LEU 118 Ca 0.13 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 2cwz s LEU 118 Cb -0.15 0.51 -0.11 0.00 0.03 0.00 0.00 46.19 46.48 2cwz s LEU 118 CO 0.08 -0.56 1.42 -2.84 0.23 0.00 0.00 176.35 174.68 2cwz s PRO 119 N -3.12 4.24 0.43 1.29 0.02 -1.26 -0.35 135.00 136.25 2cwz s PRO 119 Ca -0.01 2.38 0.18 0.00 0.02 0.00 0.00 61.00 63.57 2cwz s PRO 119 Cb 0.02 -3.04 1.11 0.00 0.02 0.00 0.00 34.50 32.61 2cwz s PRO 119 CO -0.07 -0.38 1.89 0.87 -0.33 0.00 0.00 177.00 178.98 2cwz h LYS 120 N 3.76 0.36 -0.65 5.54 1.57 -0.52 0.10 116.57 126.72 2cwz h LYS 120 Ca -0.49 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2cwz h LYS 120 Cb 1.23 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2cwz h LYS 120 CO 0.69 0.23 0.24 0.00 -0.57 0.00 0.00 179.45 180.05 2cwz h ALA 121 N 1.63 0.85 -0.53 3.86 0.00 -1.89 -1.09 119.26 122.09 2cwz h ALA 121 Ca 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2cwz h ALA 121 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2cwz h ALA 121 CO -0.13 0.49 0.22 -0.22 0.00 0.00 0.00 179.25 179.60 2cwz h LYS 122 N 0.93 0.79 -0.08 0.00 1.63 -1.18 -0.14 116.57 118.52 2cwz h LYS 122 Ca 0.22 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2cwz h LYS 122 Cb 0.24 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2cwz h LYS 122 CO -0.01 0.69 0.05 0.28 -3.45 0.00 0.00 179.45 177.00 2cwz h VAL 123 N 0.71 1.05 -1.00 2.00 2.07 -1.09 -1.29 116.25 118.71 2cwz h VAL 123 Ca 0.18 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2cwz h VAL 123 Cb 0.19 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2cwz h VAL 123 CO -0.02 0.04 0.65 -0.33 0.02 0.00 0.00 177.57 177.94 2cwz h GLU 124 N 0.07 1.23 -0.66 1.57 5.08 -1.02 -1.95 114.58 118.90 2cwz h GLU 124 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2cwz h GLU 124 Cb 0.03 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 2cwz h GLU 124 CO -0.01 0.81 0.24 0.00 -1.00 0.00 0.00 179.01 179.06 2cwz h ALA 125 N 1.42 1.18 -0.24 3.43 0.00 -0.55 0.42 119.26 124.92 2cwz h ALA 125 Ca 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2cwz h ALA 125 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2cwz h ALA 125 CO -0.12 0.59 0.01 -0.07 0.00 0.00 0.00 179.25 179.66 2cwz h LEU 126 N 0.96 0.41 -0.95 0.00 3.38 -0.51 -0.58 115.31 118.02 2cwz h LEU 126 Ca 0.22 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2cwz h LEU 126 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2cwz h LEU 126 CO -0.02 0.60 -0.26 -0.26 0.09 0.00 0.00 178.44 178.60 2cwz h PHE 127 N 0.20 0.52 -0.17 1.13 0.04 -1.23 -2.38 116.94 115.04 2cwz h PHE 127 Ca 0.07 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2cwz h PHE 127 Cb 0.39 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2cwz h PHE 127 CO 0.03 0.68 0.07 -0.09 -0.60 0.00 0.00 178.31 178.40 2cwz h ARG 128 N 0.41 0.26 -0.65 1.51 9.65 -0.70 -1.97 114.38 122.89 2cwz h ARG 128 Ca 0.06 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2cwz h ARG 128 Cb 0.67 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 2cwz h ARG 128 CO 0.05 0.35 0.29 -0.09 2.80 0.00 0.00 179.97 183.37 2cwz h ARG 129 N 0.12 0.94 -0.60 0.20 9.65 -0.95 -1.60 114.38 122.14 2cwz h ARG 129 Ca 0.06 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 2cwz h ARG 129 Cb 0.19 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2cwz h ARG 129 CO -0.00 0.75 0.03 1.25 2.80 0.00 0.00 179.97 184.79 2cwz h LEU 130 N 0.93 1.00 -0.63 3.80 5.85 -1.25 -2.04 115.31 122.96 2cwz h LEU 130 Ca 0.22 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2cwz h LEU 130 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2cwz h LEU 130 CO -0.02 1.03 0.14 0.50 -0.34 0.00 0.00 178.44 179.74 2cwz h LYS 131 N 0.95 1.02 -0.43 1.25 3.64 -0.86 -1.96 116.57 120.17 2cwz h LYS 131 Ca 0.18 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2cwz h LYS 131 Cb 0.50 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2cwz h LYS 131 CO 0.02 0.93 0.24 0.93 -2.27 0.00 0.00 179.45 179.30 2cwz h GLU 132 N 0.93 0.60 -0.89 1.90 5.08 -1.04 -0.76 114.58 120.41 2cwz h GLU 132 Ca 0.20 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2cwz h GLU 132 Cb 0.38 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2cwz h GLU 132 CO 0.01 0.48 0.49 0.00 -1.00 0.00 0.00 179.01 178.99 2cwz h ARG 133 N 0.56 1.23 -0.46 2.33 3.08 -1.21 -0.43 114.38 119.47 2cwz h ARG 133 Ca 0.15 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2cwz h ARG 133 Cb 0.05 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2cwz h ARG 133 CO -0.02 0.89 0.06 2.35 -1.07 0.00 0.00 179.97 182.17 2cwz h TRP 134 N 1.24 0.83 -0.21 3.04 7.01 -0.95 -2.67 115.95 124.25 2cwz h TRP 134 Ca 0.31 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.12 2cwz h TRP 134 Cb 0.01 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 2cwz h TRP 134 CO 0.01 0.79 -0.18 0.93 -2.79 0.00 0.00 178.44 177.20 2cwz h GLU 135 N 0.64 0.36 0.00 2.65 5.08 -0.76 -2.01 114.58 120.54 2cwz h GLU 135 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2cwz h GLU 135 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cwz h GLU 135 CO 0.01 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 2cwz n ALA 136 N -2.48 1.22 1.77 3.43 0.00 -0.21 -5.10 120.51 119.14 2cwz n ALA 136 Ca -0.00 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2cwz n ALA 136 Cb 0.33 -1.17 0.75 0.00 0.00 0.00 0.00 19.45 19.36 2cwz n ALA 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89