#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcz h ARG 10 N 0.00 0.15 -0.85 5.31 3.08 -2.03 -2.77 114.38 117.27 2wcz h ARG 10 Ca 0.00 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.83 2wcz h ARG 10 Cb 0.00 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2wcz h ARG 10 CO 0.00 0.91 0.56 0.22 -1.07 0.00 0.00 179.97 180.59 2wcz h ASP 11 N 0.04 0.92 -0.56 7.04 3.58 -2.05 -2.35 116.42 123.04 2wcz h ASP 11 Ca -0.28 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.05 2wcz h ASP 11 Cb 2.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 2wcz h ASP 11 CO 0.11 0.64 -0.08 0.25 -2.88 0.00 0.00 179.24 177.28 2wcz h LEU 12 N 1.07 1.04 -0.43 2.28 5.85 -1.99 -1.80 115.31 121.32 2wcz h LEU 12 Ca 0.33 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wcz h LEU 12 Cb 0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2wcz h LEU 12 CO -0.10 1.13 0.20 -0.07 -0.34 0.00 0.00 178.44 179.26 2wcz h LEU 13 N 0.93 0.27 -0.50 2.25 3.38 -1.18 -0.01 115.31 120.44 2wcz h LEU 13 Ca 0.15 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2wcz h LEU 13 Cb 0.65 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2wcz h LEU 13 CO 0.04 0.19 0.33 0.58 0.09 0.00 0.00 178.44 179.67 2wcz h VAL 14 N 0.40 1.11 -0.78 1.22 2.07 -1.25 -1.23 116.25 117.79 2wcz h VAL 14 Ca 0.19 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wcz h VAL 14 Cb 0.12 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2wcz h VAL 14 CO -0.15 0.12 0.50 -0.33 0.02 0.00 0.00 177.57 177.73 2wcz h GLU 15 N 0.66 1.04 -0.26 1.57 4.39 -0.79 -0.44 114.58 120.75 2wcz h GLU 15 Ca 0.19 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2wcz h GLU 15 Cb -0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 2wcz h GLU 15 CO -0.05 0.71 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.32 2wcz h LEU 16 N 1.07 0.56 -0.78 1.33 3.38 -0.37 -2.20 115.31 118.29 2wcz h LEU 16 Ca 0.29 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2wcz h LEU 16 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2wcz h LEU 16 CO -0.06 0.84 -0.07 -0.50 0.09 0.00 0.00 178.44 178.74 2wcz h TRP 17 N 0.28 0.93 -0.36 1.13 4.06 -0.97 -0.06 115.95 120.96 2wcz h TRP 17 Ca 0.06 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.82 2wcz h TRP 17 Cb 0.62 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 2wcz h TRP 17 CO 0.06 0.88 0.10 0.87 -3.56 0.00 0.00 178.44 176.79 2wcz h LYS 18 N 0.78 0.52 -0.06 0.49 1.57 -0.99 -1.14 116.57 117.74 2wcz h LYS 18 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wcz h LYS 18 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2wcz h LYS 18 CO 0.03 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 2wcz n ALA 19 N -2.48 2.59 -0.16 3.86 0.00 -0.84 -4.89 120.51 118.60 2wcz n ALA 19 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2wcz n ALA 19 Cb 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2wcz n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wcz n GLY 20 N 0.98 0.91 3.82 0.00 0.00 -0.43 -4.97 105.19 105.50 2wcz n GLY 20 Ca 0.17 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2wcz n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wcz s PHE 21 N -2.00 3.61 -0.20 1.61 0.08 -0.07 -4.67 117.98 116.34 2wcz s PHE 21 Ca 0.00 0.72 -0.28 0.00 0.12 0.00 0.00 56.93 57.49 2wcz s PHE 21 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2wcz s PHE 21 CO 0.00 0.58 0.98 0.00 -0.10 0.00 0.00 175.22 176.68 2wcz s ALA 22 N -0.67 3.61 0.03 5.36 0.00 -0.21 -3.27 121.76 126.61 2wcz s ALA 22 Ca 0.18 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2wcz s ALA 22 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2wcz s ALA 22 CO 0.07 -0.91 -0.10 0.00 0.00 0.00 0.00 175.76 174.83 2wcz s ALA 23 N 2.82 0.79 0.08 0.00 0.00 -1.26 -1.06 121.76 123.12 2wcz s ALA 23 Ca 0.43 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2wcz s ALA 23 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2wcz s ALA 23 CO 0.09 0.12 -0.13 0.96 0.00 0.00 0.00 175.76 176.79 2wcz s ILE 24 N -0.82 1.07 0.19 0.00 -5.25 -0.29 -5.00 121.20 111.10 2wcz s ILE 24 Ca -0.02 -1.37 -0.20 0.00 -0.99 0.00 0.00 60.65 58.07 2wcz s ILE 24 Cb -0.07 -1.11 -0.08 0.00 2.95 0.00 0.00 42.46 44.15 2wcz s ILE 24 CO 0.01 -0.29 0.70 -0.13 -1.79 0.00 0.00 174.94 173.44 2wcz s ARG 25 N -1.93 4.27 -0.09 0.37 0.52 -1.26 -1.70 118.95 119.13 2wcz s ARG 25 Ca -0.01 0.87 -0.21 0.00 -0.52 0.00 0.00 55.73 55.86 2wcz s ARG 25 Cb -0.09 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2wcz s ARG 25 CO 0.02 0.45 0.59 0.08 0.02 0.00 0.00 175.30 176.46 2wcz s VAL 26 N -1.42 5.10 0.00 3.52 1.01 -0.30 -4.94 120.40 123.38 2wcz s VAL 26 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.58 2wcz s VAL 26 Cb -0.18 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2wcz s VAL 26 CO 0.21 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.64 2wcz n ALA 27 N 3.65 0.00 0.00 5.51 0.00 -1.26 -4.96 120.51 123.45 2wcz n ALA 27 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wcz n ALA 27 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wcz n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wcz n SER 32 N -0.20 0.00 0.30 0.00 2.88 -1.26 -5.13 113.62 110.20 2wcz n SER 32 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2wcz n SER 32 Cb 0.00 0.00 0.91 0.00 -0.75 0.00 0.00 64.21 64.37 2wcz n SER 32 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wcz h PRO 33 N 0.00 0.00 -6.51 -1.46 0.11 -2.10 -3.44 132.00 118.60 2wcz h PRO 33 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 2wcz h PRO 33 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2wcz h PRO 33 CO 0.00 0.00 -0.81 -0.06 -0.21 0.00 0.00 178.00 176.92 2wcz s PHE 34 N -4.24 2.29 0.37 0.65 0.08 -1.26 -5.11 117.98 110.77 2wcz s PHE 34 Ca -0.04 -0.35 -0.28 0.00 0.12 0.00 0.00 56.93 56.37 2wcz s PHE 34 Cb 0.11 -1.10 -0.11 0.00 -0.57 0.00 0.00 43.02 41.35 2wcz s PHE 34 CO 0.37 0.55 1.51 -2.14 -0.10 0.00 0.00 175.22 175.41 2wcz s PRO 35 N -2.88 4.10 -0.27 0.24 0.02 -1.26 -5.02 135.00 129.93 2wcz s PRO 35 Ca 0.23 2.58 -0.23 0.00 0.02 0.00 0.00 61.00 63.60 2wcz s PRO 35 Cb -0.07 -2.97 0.08 0.00 0.02 0.00 0.00 34.50 31.56 2wcz s PRO 35 CO 0.11 -0.56 0.76 0.00 -0.33 0.00 0.00 177.00 176.98 2wcz n PRO 37 N 2.95 -0.39 0.01 0.00 -0.05 -1.26 -4.89 135.00 131.37 2wcz n PRO 37 Ca -0.15 -0.94 -0.17 0.00 -0.05 0.00 0.00 63.50 62.19 2wcz n PRO 37 Cb 0.56 -0.53 -0.14 0.00 -0.05 0.00 0.00 33.50 33.34 2wcz n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2wcz h ASP 38 N -0.65 0.30 -4.01 3.54 3.32 -1.46 -3.42 116.42 114.03 2wcz h ASP 38 Ca -0.18 -0.60 -0.27 0.00 0.02 0.00 0.00 57.03 56.01 2wcz h ASP 38 Cb 0.51 -0.10 -0.27 0.00 0.22 0.00 0.00 39.33 39.70 2wcz h ASP 38 CO 0.14 1.53 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.82 2wcz s ILE 39 N -2.58 0.24 -0.02 0.35 1.01 -0.79 -1.15 121.20 118.26 2wcz s ILE 39 Ca -0.14 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.30 2wcz s ILE 39 Cb 0.07 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 2wcz s ILE 39 CO 0.81 -0.03 -0.24 -0.69 0.00 0.00 0.00 174.94 174.79 2wcz s VAL 40 N -0.31 1.89 0.03 2.92 1.01 -0.69 -0.99 120.40 124.26 2wcz s VAL 40 Ca -0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2wcz s VAL 40 Cb -0.03 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2wcz s VAL 40 CO -0.00 0.53 0.01 0.00 0.00 0.00 0.00 175.10 175.64 2wcz s ALA 41 N -0.49 0.16 0.02 5.51 0.00 -0.50 -1.14 121.76 125.33 2wcz s ALA 41 Ca 0.07 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 2wcz s ALA 41 Cb -0.10 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2wcz s ALA 41 CO -0.00 -0.25 0.41 0.20 0.00 0.00 0.00 175.76 176.11 2wcz s GLY 42 N -2.00 -0.27 -0.06 0.00 0.00 -0.23 -0.28 107.32 104.49 2wcz s GLY 42 Ca -0.07 0.39 0.09 0.00 0.00 0.00 0.00 44.72 45.12 2wcz s GLY 42 CO -0.04 0.14 1.02 1.16 0.00 0.00 0.00 173.10 175.37 2wcz n ASN 43 N 0.71 1.35 0.00 1.64 0.23 -0.74 -1.05 115.26 117.39 2wcz n ASN 43 Ca -0.19 -2.39 0.00 0.00 -0.53 0.00 0.00 54.58 51.47 2wcz n ASN 43 Cb 0.59 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 2wcz n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wcz n GLY 44 N -0.72 3.33 0.84 4.83 0.00 -1.26 -4.71 105.19 107.50 2wcz n GLY 44 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2wcz n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wcz n ARG 45 N -1.80 0.08 -4.92 1.61 0.63 -1.26 -5.03 116.66 105.96 2wcz n ARG 45 Ca 0.00 0.03 -0.33 0.00 -0.92 0.00 0.00 57.85 56.64 2wcz n ARG 45 Cb 0.00 -0.65 -0.14 0.00 0.45 0.00 0.00 32.46 32.12 2wcz n ARG 45 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2wcz s THR 46 N -2.07 2.93 0.02 5.15 2.01 -1.26 -5.12 115.64 117.29 2wcz s THR 46 Ca -0.05 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.28 2wcz s THR 46 Cb 0.02 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2wcz s THR 46 CO 0.06 0.58 -0.26 -0.31 -0.69 0.00 0.00 174.62 174.00 2wcz s TYR 47 N -0.48 2.29 -0.03 4.92 2.02 -1.26 -1.79 117.35 123.01 2wcz s TYR 47 Ca 0.06 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2wcz s TYR 47 Cb -0.12 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2wcz s TYR 47 CO 0.02 0.05 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.36 2wcz s LEU 48 N -0.94 1.95 -0.20 -1.29 1.43 0.61 -0.61 118.68 119.63 2wcz s LEU 48 Ca 0.11 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2wcz s LEU 48 Cb -0.10 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2wcz s LEU 48 CO 0.01 0.17 -0.18 0.00 0.23 0.00 0.00 176.35 176.58 2wcz s ALA 49 N -0.11 2.35 -0.09 4.21 0.00 -0.29 -1.40 121.76 126.42 2wcz s ALA 49 Ca -0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.67 2wcz s ALA 49 Cb -0.10 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.77 2wcz s ALA 49 CO 0.01 -0.53 -0.18 0.42 0.00 0.00 0.00 175.76 175.47 2wcz s ILE 50 N 1.26 1.64 -0.19 0.00 1.01 -0.16 -1.30 121.20 123.47 2wcz s ILE 50 Ca 0.02 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 2wcz s ILE 50 Cb -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2wcz s ILE 50 CO -0.11 0.47 0.37 -0.70 0.00 0.00 0.00 174.94 174.96 2wcz s GLU 51 N 0.61 4.20 -0.20 2.79 2.56 -0.37 -1.06 118.70 127.22 2wcz s GLU 51 Ca -0.14 0.17 -0.07 0.00 0.00 0.00 0.00 54.97 54.92 2wcz s GLU 51 Cb -0.17 -3.50 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 2wcz s GLU 51 CO 0.04 0.04 0.06 0.08 -0.56 0.00 0.00 175.26 174.93 2wcz s VAL 52 N 1.05 4.58 -0.03 3.70 1.01 -1.26 -0.87 120.40 128.58 2wcz s VAL 52 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2wcz s VAL 52 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2wcz s VAL 52 CO 0.07 0.42 -0.09 -0.54 0.00 0.00 0.00 175.10 174.96 2wcz s LYS 53 N 0.81 0.96 -0.10 2.72 -0.14 0.26 -4.98 119.74 119.28 2wcz s LYS 53 Ca 0.03 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.38 2wcz s LYS 53 Cb -0.14 -0.90 0.01 0.00 -1.68 0.00 0.00 37.83 35.12 2wcz s LYS 53 CO 0.02 0.10 -0.21 -1.64 -0.76 0.00 0.00 175.35 172.87 2wcz s MET 54 N 0.23 2.72 0.03 1.68 -1.94 -1.26 -1.31 119.30 119.44 2wcz s MET 54 Ca -0.04 -0.76 -0.00 0.00 -1.71 0.00 0.00 55.69 53.18 2wcz s MET 54 Cb -0.09 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 2wcz s MET 54 CO 0.01 0.10 -0.02 1.03 -0.01 0.00 0.00 175.02 176.12 2wcz s ARG 55 N 0.54 0.38 0.24 2.03 1.81 -0.85 -4.98 118.95 118.11 2wcz s ARG 55 Ca -0.15 -0.73 0.12 0.00 -1.72 0.00 0.00 55.73 53.25 2wcz s ARG 55 Cb -0.17 0.13 0.18 0.00 -0.45 0.00 0.00 34.95 34.64 2wcz s ARG 55 CO 0.05 -0.06 1.50 0.87 -0.68 0.00 0.00 175.30 176.97 2wcz h LYS 56 N 4.33 0.00 -2.54 3.54 1.79 -1.99 -3.35 116.57 118.34 2wcz h LYS 56 Ca -0.32 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.24 2wcz h LYS 56 Cb 1.20 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.73 2wcz h LYS 56 CO 0.46 0.68 0.40 -1.83 -1.08 0.00 0.00 179.45 178.08 2wcz s GLU 57 N -3.20 1.12 0.63 3.15 -1.05 -1.26 -4.55 118.70 113.54 2wcz s GLU 57 Ca 0.01 -0.50 -0.11 0.00 -0.15 0.00 0.00 54.97 54.22 2wcz s GLU 57 Cb 0.11 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2wcz s GLU 57 CO 0.76 -0.50 1.03 -0.51 0.95 0.00 0.00 175.26 176.99 2wcz s LEU 58 N -2.70 3.17 0.56 1.83 1.43 -1.26 -4.54 118.68 117.18 2wcz s LEU 58 Ca 0.06 1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 54.37 2wcz s LEU 58 Cb -0.02 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 2wcz s LEU 58 CO -0.05 -0.98 0.93 -2.84 0.23 0.00 0.00 176.35 173.63 2wcz s PRO 59 N -5.19 3.53 -0.16 1.29 0.02 -1.26 -5.00 135.00 128.23 2wcz s PRO 59 Ca 0.55 0.49 -0.16 0.00 0.02 0.00 0.00 61.00 61.90 2wcz s PRO 59 Cb -0.11 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2wcz s PRO 59 CO 0.53 -0.44 0.37 -1.17 -0.33 0.00 0.00 177.00 175.96 2wcz s LEU 60 N -5.00 4.22 -0.14 -5.54 2.96 -0.34 -4.94 118.68 109.90 2wcz s LEU 60 Ca 0.52 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.95 2wcz s LEU 60 Cb -0.11 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2wcz s LEU 60 CO 0.50 0.02 0.09 -0.31 -1.32 0.00 0.00 176.35 175.32 2wcz s TYR 61 N 0.78 3.38 -0.03 5.38 2.02 -1.26 -1.03 117.35 126.59 2wcz s TYR 61 Ca 0.20 0.31 0.06 0.00 -0.37 0.00 0.00 57.07 57.26 2wcz s TYR 61 Cb -0.14 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2wcz s TYR 61 CO 0.07 0.47 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.80 2wcz s LEU 62 N -0.46 2.02 0.58 -1.29 1.43 -0.10 -4.99 118.68 115.86 2wcz s LEU 62 Ca 0.11 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2wcz s LEU 62 Cb -0.12 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2wcz s LEU 62 CO 0.02 0.24 1.08 -0.94 0.23 0.00 0.00 176.35 176.97 2wcz s SER 63 N -0.33 5.69 0.29 2.29 1.04 -1.26 -0.51 113.70 120.91 2wcz s SER 63 Ca 0.04 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 58.39 2wcz s SER 63 Cb -0.10 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 63.92 2wcz s SER 63 CO 0.01 -1.23 1.92 0.00 0.98 0.00 0.00 173.24 174.92 2wcz h ALA 64 N 0.64 1.44 -0.62 5.32 0.00 -1.88 -2.38 119.26 121.78 2wcz h ALA 64 Ca -0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2wcz h ALA 64 Cb 1.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2wcz h ALA 64 CO 0.57 0.46 0.30 -0.44 0.00 0.00 0.00 179.25 180.14 2wcz h ASP 65 N 1.13 0.80 -0.33 0.00 5.19 -1.92 0.68 116.42 121.97 2wcz h ASP 65 Ca 0.37 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 2wcz h ASP 65 Cb 0.06 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2wcz h ASP 65 CO -0.12 0.70 0.09 -0.08 -3.12 0.00 0.00 179.24 176.72 2wcz h GLU 66 N 0.84 0.51 -0.48 3.56 4.81 -1.86 -0.42 114.58 121.56 2wcz h GLU 66 Ca 0.21 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2wcz h GLU 66 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2wcz h GLU 66 CO -0.03 0.56 -0.14 0.28 -0.73 0.00 0.00 179.01 178.95 2wcz h VAL 67 N 0.37 1.27 -0.52 0.32 2.07 -1.33 -1.35 116.25 117.09 2wcz h VAL 67 Ca 0.10 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 2wcz h VAL 67 Cb 0.26 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2wcz h VAL 67 CO -0.00 0.44 0.31 -0.33 0.02 0.00 0.00 177.57 178.01 2wcz h GLU 68 N 0.78 0.71 -0.62 1.57 5.08 -0.73 -0.67 114.58 120.70 2wcz h GLU 68 Ca 0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2wcz h GLU 68 Cb 0.70 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2wcz h GLU 68 CO 0.05 0.52 0.23 0.37 -1.00 0.00 0.00 179.01 179.18 2wcz h GLN 69 N 0.69 0.94 -0.46 2.33 4.15 -0.94 -0.29 115.11 121.54 2wcz h GLN 69 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2wcz h GLN 69 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2wcz h GLN 69 CO -0.03 0.81 0.24 1.25 -1.93 0.00 0.00 178.83 179.17 2wcz h LEU 70 N 0.88 0.59 -0.65 -2.39 5.85 -0.95 -1.05 115.31 117.59 2wcz h LEU 70 Ca 0.21 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2wcz h LEU 70 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2wcz h LEU 70 CO -0.01 0.53 -0.17 0.58 -0.34 0.00 0.00 178.44 179.02 2wcz h VAL 71 N 0.61 1.27 -0.41 1.05 2.07 -0.87 -0.48 116.25 119.49 2wcz h VAL 71 Ca 0.16 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 2wcz h VAL 71 Cb 0.08 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2wcz h VAL 71 CO -0.02 0.44 0.04 0.74 0.02 0.00 0.00 177.57 178.79 2wcz h THR 72 N 0.78 1.25 -0.28 2.57 2.02 -0.91 0.14 112.91 118.47 2wcz h THR 72 Ca 0.11 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2wcz h THR 72 Cb 0.71 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2wcz h THR 72 CO 0.05 0.32 0.14 0.15 0.37 0.00 0.00 175.52 176.55 2wcz h PHE 73 N 0.54 0.41 -0.73 3.16 3.57 -1.03 -1.50 116.94 121.35 2wcz h PHE 73 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2wcz h PHE 73 Cb 0.42 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2wcz h PHE 73 CO 0.03 0.37 0.47 0.00 -2.23 0.00 0.00 178.31 176.95 2wcz h ALA 74 N 1.00 0.93 -0.61 2.41 0.00 -0.86 0.16 119.26 122.28 2wcz h ALA 74 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wcz h ALA 74 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2wcz h ALA 74 CO -0.01 0.37 0.20 -0.09 0.00 0.00 0.00 179.25 179.72 2wcz h ARG 75 N 1.00 0.95 -0.35 0.00 2.43 -0.82 -0.66 114.38 116.92 2wcz h ARG 75 Ca 0.27 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 2wcz h ARG 75 Cb -0.08 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2wcz h ARG 75 CO -0.05 0.83 -0.35 0.78 -1.51 0.00 0.00 179.97 179.67 2wcz h GLY 76 N 0.87 0.94 1.53 2.80 0.00 -0.63 -3.25 103.07 105.34 2wcz h GLY 76 Ca 0.20 -0.96 -0.21 0.00 0.00 0.00 0.00 47.33 46.35 2wcz h GLY 76 CO -0.01 0.87 -0.87 -2.75 0.00 0.00 0.00 176.54 173.78 2wcz h PHE 77 N 0.66 0.62 -1.36 5.60 3.57 -0.66 -3.48 116.94 121.89 2wcz h PHE 77 Ca 0.06 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2wcz h PHE 77 Cb 0.94 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2wcz h PHE 77 CO 0.07 1.12 0.00 0.41 -2.23 0.00 0.00 178.31 177.67 2wcz n GLY 78 N 0.82 0.77 3.17 2.40 0.00 -0.39 -5.09 105.19 106.87 2wcz n GLY 78 Ca -0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2wcz n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcz s ALA 79 N -2.35 0.98 -0.10 4.61 0.00 -0.41 -4.66 121.76 119.83 2wcz s ALA 79 Ca 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 2wcz s ALA 79 Cb 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 2wcz s ALA 79 CO 0.00 -0.49 0.40 -1.21 0.00 0.00 0.00 175.76 174.47 2wcz s GLU 80 N -4.05 4.20 -0.11 0.00 2.02 0.22 -4.46 118.70 116.51 2wcz s GLU 80 Ca 0.27 0.33 -0.23 0.00 0.02 0.00 0.00 54.97 55.36 2wcz s GLU 80 Cb 0.07 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 2wcz s GLU 80 CO 0.04 0.32 0.69 0.00 0.02 0.00 0.00 175.26 176.33 2wcz s ALA 81 N 0.12 3.41 0.03 5.21 0.00 -1.26 -1.14 121.76 128.13 2wcz s ALA 81 Ca 0.23 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2wcz s ALA 81 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2wcz s ALA 81 CO 0.09 -0.26 -0.07 0.71 0.00 0.00 0.00 175.76 176.23 2wcz s TYR 82 N 1.20 0.63 -0.20 0.00 2.02 -0.42 -3.04 117.35 117.54 2wcz s TYR 82 Ca 0.35 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 2wcz s TYR 82 Cb -0.17 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 2wcz s TYR 82 CO 0.15 -0.05 0.09 0.08 -1.57 0.00 0.00 175.55 174.25 2wcz s VAL 83 N -0.96 4.99 -0.20 0.71 1.01 0.12 -1.24 120.40 124.83 2wcz s VAL 83 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2wcz s VAL 83 Cb -0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2wcz s VAL 83 CO 0.00 0.43 0.06 0.00 0.00 0.00 0.00 175.10 175.59 2wcz s ALA 84 N 0.57 3.30 -0.10 5.51 0.00 -0.05 -0.41 121.76 130.58 2wcz s ALA 84 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2wcz s ALA 84 Cb -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2wcz s ALA 84 CO 0.01 -0.01 -0.15 -1.17 0.00 0.00 0.00 175.76 174.44 2wcz s LEU 85 N 0.72 1.71 -0.18 0.00 2.96 0.13 -0.57 118.68 123.44 2wcz s LEU 85 Ca 0.03 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2wcz s LEU 85 Cb -0.13 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 2wcz s LEU 85 CO 0.02 0.03 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.25 2wcz s LYS 86 N 0.87 3.38 0.20 1.98 2.47 -0.43 -1.71 119.74 126.50 2wcz s LYS 86 Ca -0.09 -0.65 0.08 0.00 -1.56 0.00 0.00 55.97 53.75 2wcz s LYS 86 Cb -0.15 -2.85 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 2wcz s LYS 86 CO 0.01 -0.03 0.01 -0.51 0.16 0.00 0.00 175.35 174.99 2wcz s LEU 87 N 1.01 3.32 0.23 5.43 1.43 -1.26 -2.01 118.68 126.83 2wcz s LEU 87 Ca -0.00 -0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 52.34 2wcz s LEU 87 Cb -0.15 -1.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.01 2wcz s LEU 87 CO -0.01 0.06 1.55 -2.65 0.23 0.00 0.00 176.35 175.53 2wcz n PRO 88 N -0.35 2.36 -1.01 1.29 -0.02 -1.26 -2.05 135.00 133.96 2wcz n PRO 88 Ca -0.09 0.84 -0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2wcz n PRO 88 Cb 0.56 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2wcz n PRO 88 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wcz n ARG 89 N 2.67 -0.58 -4.42 -0.52 5.12 -1.26 -5.00 116.66 112.68 2wcz n ARG 89 Ca 0.13 0.16 -0.25 0.00 -1.93 0.00 0.00 57.85 55.96 2wcz n ARG 89 Cb 0.33 -3.61 -0.13 0.00 -1.16 0.00 0.00 32.46 27.89 2wcz n ARG 89 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wcz s LYS 90 N -0.64 1.24 0.71 5.56 -0.14 -0.87 -5.13 119.74 120.47 2wcz s LYS 90 Ca 0.00 -1.12 -0.14 0.00 -1.36 0.00 0.00 55.97 53.35 2wcz s LYS 90 Cb 0.00 -1.49 0.03 0.00 -1.68 0.00 0.00 37.83 34.69 2wcz s LYS 90 CO 0.00 0.36 1.14 0.15 -0.76 0.00 0.00 175.35 176.23 2wcz s LYS 91 N -1.69 2.45 0.27 1.68 1.02 -1.26 -4.47 119.74 117.74 2wcz s LYS 91 Ca 0.08 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 2wcz s LYS 91 Cb -0.10 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.18 2wcz s LYS 91 CO 0.04 -1.54 1.23 0.91 -0.92 0.00 0.00 175.35 175.07 2wcz n TRP 92 N -2.73 1.82 -5.23 3.18 7.02 -1.26 -4.71 117.44 115.53 2wcz n TRP 92 Ca 0.11 0.57 -0.30 0.00 -1.02 0.00 0.00 57.50 56.86 2wcz n TRP 92 Cb 0.52 -2.36 -0.16 0.00 -2.42 0.00 0.00 31.31 26.88 2wcz n TRP 92 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2wcz s ARG 93 N -1.10 2.08 -0.13 -0.99 3.00 -0.70 -4.54 118.95 116.58 2wcz s ARG 93 Ca 0.63 -0.88 -0.00 0.00 0.00 0.00 0.00 55.73 55.48 2wcz s ARG 93 Cb -0.67 -1.96 -0.02 0.00 0.00 0.00 0.00 34.95 32.30 2wcz s ARG 93 CO 0.56 0.50 -0.13 -0.06 0.00 0.00 0.00 175.30 176.17 2wcz s PHE 94 N -0.50 2.81 -0.21 -0.53 0.08 0.77 -0.70 117.98 119.70 2wcz s PHE 94 Ca 0.07 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.51 2wcz s PHE 94 Cb -0.10 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2wcz s PHE 94 CO -0.00 -0.19 -0.09 -0.06 -0.10 0.00 0.00 175.22 174.78 2wcz s PHE 95 N 0.31 2.45 0.68 0.36 0.08 0.45 -0.76 117.98 121.54 2wcz s PHE 95 Ca -0.10 -1.67 -0.17 0.00 0.12 0.00 0.00 56.93 55.11 2wcz s PHE 95 Cb -0.16 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2wcz s PHE 95 CO 0.06 -0.76 1.10 -2.30 -0.10 0.00 0.00 175.22 173.22 2wcz n PRO 96 N 4.67 0.79 -0.02 0.24 -0.02 -1.26 -0.70 135.00 138.68 2wcz n PRO 96 Ca -0.14 0.32 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 2wcz n PRO 96 Cb 0.46 -2.34 0.60 0.00 -0.02 0.00 0.00 33.50 32.19 2wcz n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wcz h VAL 97 N 0.14 0.82 0.00 -1.45 2.07 -1.92 -0.70 116.25 115.21 2wcz h VAL 97 Ca -0.49 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wcz h VAL 97 Cb 1.34 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2wcz h VAL 97 CO 0.50 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.12 2wcz n GLN 98 N -4.44 0.07 0.15 1.57 3.00 -1.26 -1.68 117.38 114.78 2wcz n GLN 98 Ca 0.09 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.40 2wcz n GLN 98 Cb 0.46 -1.63 0.06 0.00 0.00 0.00 0.00 30.24 29.13 2wcz n GLN 98 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 2wcz h MET 99 N 0.00 0.00 -6.98 -1.09 2.86 -1.46 -3.47 114.93 104.79 2wcz h MET 99 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2wcz h MET 99 Cb 0.32 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.09 2wcz h MET 99 CO 0.00 0.48 0.68 -0.51 1.06 0.00 0.00 176.91 178.63 2wcz s LEU 100 N -6.51 4.14 -0.06 1.22 1.43 -0.68 -4.98 118.68 113.25 2wcz s LEU 100 Ca 0.04 2.86 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 2wcz s LEU 100 Cb 0.08 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2wcz s LEU 100 CO 0.74 -1.10 0.90 -0.70 0.23 0.00 0.00 176.35 176.42 2wcz s GLU 101 N -2.40 4.47 -0.34 1.70 2.56 -0.40 -4.90 118.70 119.40 2wcz s GLU 101 Ca 0.60 1.24 -0.18 0.00 0.00 0.00 0.00 54.97 56.63 2wcz s GLU 101 Cb -0.42 -3.49 -0.01 0.00 2.00 0.00 0.00 34.13 32.21 2wcz s GLU 101 CO 0.55 -0.11 0.51 0.50 -0.56 0.00 0.00 175.26 176.14 2wcz s ARG 102 N 1.30 3.69 0.00 4.30 3.52 -1.26 -0.16 118.95 130.35 2wcz s ARG 102 Ca 0.46 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2wcz s ARG 102 Cb -0.19 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 2wcz s ARG 102 CO 0.22 -0.59 0.00 0.25 -0.81 0.00 0.00 175.30 174.37 2wcz n THR 103 N 5.38 0.00 0.04 4.11 -2.24 -0.58 -5.00 114.28 116.00 2wcz n THR 103 Ca -0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2wcz n THR 103 Cb 0.49 -1.41 -0.08 0.00 -2.10 0.00 0.00 70.33 67.24 2wcz n THR 103 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wcz h GLU 104 N 0.00 -0.49 0.00 -0.78 3.07 -2.01 -3.33 114.58 111.04 2wcz h GLU 104 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2wcz h GLU 104 Cb 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2wcz h GLU 104 CO 0.00 -0.33 0.00 1.63 -1.40 0.00 0.00 179.01 178.91 2wcz n LYS 105 N -4.73 3.16 -2.10 2.33 5.02 -1.26 -5.08 118.16 115.51 2wcz n LYS 105 Ca -0.06 -0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.00 2wcz n LYS 105 Cb 0.30 -0.71 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2wcz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wcz n ASN 106 N -0.52 1.81 -4.33 4.39 3.02 -1.25 -3.72 115.26 114.67 2wcz n ASN 106 Ca 0.00 -1.08 -0.19 0.00 -0.03 0.00 0.00 54.58 53.28 2wcz n ASN 106 Cb 0.00 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2wcz n ASN 106 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wcz s PHE 107 N -1.18 1.67 -0.05 3.10 0.08 0.33 -1.53 117.98 120.39 2wcz s PHE 107 Ca 0.00 -0.57 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 2wcz s PHE 107 Cb 0.00 -0.79 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 2wcz s PHE 107 CO 0.00 0.32 0.35 0.21 -0.10 0.00 0.00 175.22 176.00 2wcz s LYS 108 N -3.46 0.63 -0.30 0.44 2.20 0.78 -0.93 119.74 119.09 2wcz s LYS 108 Ca 0.20 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 2wcz s LYS 108 Cb -0.01 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.67 2wcz s LYS 108 CO 0.06 -0.15 -0.00 0.42 -0.36 0.00 0.00 175.35 175.31 2wcz s ILE 109 N -0.86 2.07 0.05 5.43 1.01 -0.20 -1.28 121.20 127.42 2wcz s ILE 109 Ca -0.09 -1.96 0.01 0.00 0.00 0.00 0.00 60.65 58.60 2wcz s ILE 109 Cb -0.04 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.03 2wcz s ILE 109 CO 0.04 -0.39 0.05 -0.90 0.00 0.00 0.00 174.94 173.73 2wcz n ASP 110 N 4.39 0.84 0.23 3.58 5.68 -1.26 -1.20 116.55 128.81 2wcz n ASP 110 Ca -0.03 -1.15 0.12 0.00 -0.50 0.00 0.00 54.79 53.23 2wcz n ASP 110 Cb 0.42 -0.01 0.73 0.00 -1.14 0.00 0.00 41.12 41.12 2wcz n ASP 110 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wcz h GLU 111 N 0.00 0.00 0.00 0.11 4.39 -2.00 -0.71 114.58 116.38 2wcz h GLU 111 Ca -0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2wcz h GLU 111 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2wcz h GLU 111 CO 0.04 0.00 -0.79 0.66 -1.16 0.00 0.00 179.01 177.76 2wcz h SER 112 N 0.00 0.00 0.40 1.42 4.64 -2.02 -3.33 113.55 114.67 2wcz h SER 112 Ca 0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.05 2wcz h SER 112 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2wcz h SER 112 CO -0.00 0.51 -1.63 0.58 -0.87 0.00 0.00 176.83 175.43 2wcz h VAL 113 N 0.00 1.03 -0.87 0.95 2.07 -1.63 -3.40 116.25 114.40 2wcz h VAL 113 Ca -0.05 -2.71 0.09 0.00 0.82 0.00 0.00 66.70 64.85 2wcz h VAL 113 Cb 1.44 2.68 -0.07 0.00 -1.52 0.00 0.00 31.29 33.81 2wcz h VAL 113 CO 0.06 0.79 0.52 0.22 0.02 0.00 0.00 177.57 179.18 2wcz h TYR 114 N 0.06 0.96 -0.31 1.57 3.20 -1.28 -0.98 116.97 120.19 2wcz h TYR 114 Ca -0.28 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.71 2wcz h TYR 114 Cb 2.02 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.98 2wcz h TYR 114 CO 0.06 0.42 0.30 -1.35 -1.64 0.00 0.00 178.16 175.96 2wcz h PRO 115 N 0.90 0.00 0.00 1.82 0.11 -1.78 -1.43 132.00 131.62 2wcz h PRO 115 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2wcz h PRO 115 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2wcz h PRO 115 CO -0.22 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.50 2wcz h LEU 116 N 0.00 0.00 -9.58 2.35 3.38 -1.44 -3.46 115.31 106.55 2wcz h LEU 116 Ca 0.15 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.53 2wcz h LEU 116 Cb 0.75 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.59 2wcz h LEU 116 CO -0.00 0.00 0.54 0.61 0.09 0.00 0.00 178.44 179.67 2wcz n GLY 117 N 0.37 0.62 3.85 0.83 0.00 -0.54 -4.97 105.19 105.34 2wcz n GLY 117 Ca 0.02 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2wcz n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wcz s LEU 118 N -0.01 3.75 0.37 0.99 1.43 0.06 -4.73 118.68 120.54 2wcz s LEU 118 Ca 0.66 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2wcz s LEU 118 Cb -0.66 -4.37 -0.01 0.00 0.03 0.00 0.00 46.19 41.18 2wcz s LEU 118 CO 0.52 -0.48 0.54 -1.61 0.23 0.00 0.00 176.35 175.56 2wcz s GLU 119 N -3.80 3.18 0.29 1.70 2.02 -1.26 -0.17 118.70 120.67 2wcz s GLU 119 Ca 0.57 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.86 2wcz s GLU 119 Cb -0.10 -2.71 0.49 0.00 0.10 0.00 0.00 34.13 31.91 2wcz s GLU 119 CO 0.27 -0.01 1.91 0.97 0.02 0.00 0.00 175.26 178.42 2wcz h ILE 120 N 0.72 1.08 -0.98 -1.63 2.10 -1.99 -0.86 117.51 115.95 2wcz h ILE 120 Ca -0.47 -0.37 0.13 0.00 1.08 0.00 0.00 64.86 65.23 2wcz h ILE 120 Cb 1.25 -0.09 -0.08 0.00 -1.09 0.00 0.00 36.82 36.81 2wcz h ILE 120 CO 0.56 0.20 0.62 0.00 -1.08 0.00 0.00 178.15 178.45 2wcz h ALA 121 N 1.49 1.58 -0.19 0.18 0.00 -1.96 -1.49 119.26 118.88 2wcz h ALA 121 Ca 0.40 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 2wcz h ALA 121 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wcz h ALA 121 CO -0.15 0.17 -0.58 0.93 0.00 0.00 0.00 179.25 179.63 2wcz h GLU 122 N 0.94 0.60 -0.83 0.00 5.08 -1.40 -1.83 114.58 117.14 2wcz h GLU 122 Ca 0.49 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2wcz h GLU 122 Cb 0.53 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2wcz h GLU 122 CO -0.26 1.01 0.44 0.28 -1.00 0.00 0.00 179.01 179.49 2wcz h VAL 123 N 0.45 1.25 -0.05 3.13 2.07 -1.07 -3.08 116.25 118.94 2wcz h VAL 123 Ca 0.00 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 2wcz h VAL 123 Cb 1.14 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2wcz h VAL 123 CO 0.11 0.28 -0.27 0.00 0.02 0.00 0.00 177.57 177.72 2wcz h ALA 124 N 1.24 0.10 0.00 1.67 0.00 -1.36 -3.50 119.26 117.41 2wcz h ALA 124 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wcz h ALA 124 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wcz h ALA 124 CO -0.04 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.74