#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cvl s ALA 3 N 0.00 3.33 -0.17 4.31 0.00 -1.26 -0.64 121.76 127.32 2cvl s ALA 3 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 2cvl s ALA 3 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2cvl s ALA 3 CO 0.00 0.14 0.05 0.08 0.00 0.00 0.00 175.76 176.03 2cvl s VAL 4 N -1.24 4.72 -0.04 0.00 1.01 0.21 -4.93 120.40 120.13 2cvl s VAL 4 Ca 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2cvl s VAL 4 Cb -0.26 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2cvl s VAL 4 CO 0.32 0.48 0.02 -0.75 0.00 0.00 0.00 175.10 175.18 2cvl s LYS 5 N 0.22 0.21 -0.02 2.72 2.20 -1.26 -3.69 119.74 120.12 2cvl s LYS 5 Ca 0.04 0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.78 2cvl s LYS 5 Cb -0.12 -0.58 0.01 0.00 -1.51 0.00 0.00 37.83 35.62 2cvl s LYS 5 CO 0.01 -0.24 0.14 -0.08 -0.36 0.00 0.00 175.35 174.81 2cvl s THR 6 N 1.63 0.06 -2.09 3.43 -1.32 -1.26 -5.02 115.64 111.07 2cvl s THR 6 Ca -0.01 -0.48 0.16 0.00 -1.21 0.00 0.00 61.69 60.15 2cvl s THR 6 Cb -0.13 -0.36 0.41 0.00 -1.51 0.00 0.00 72.50 70.91 2cvl s THR 6 CO -0.03 -0.26 1.38 -0.90 -2.21 0.00 0.00 174.62 172.60 2cvl n ASP 7 N 1.95 2.32 -0.41 8.08 5.75 -1.26 -3.79 116.55 129.20 2cvl n ASP 7 Ca -0.19 -1.94 0.13 0.00 -0.01 0.00 0.00 54.79 52.78 2cvl n ASP 7 Cb 0.57 -0.26 0.55 0.00 -1.03 0.00 0.00 41.12 40.95 2cvl n ASP 7 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cvl n ARG 8 N 0.76 1.56 -3.94 0.11 1.74 -1.26 -4.84 116.66 110.79 2cvl n ARG 8 Ca 0.15 -0.81 -0.08 0.00 -0.77 0.00 0.00 57.85 56.34 2cvl n ARG 8 Cb 0.38 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.29 2cvl n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cvl s ALA 9 N -1.95 0.02 0.15 7.54 0.00 -1.25 -4.80 121.76 121.47 2cvl s ALA 9 Ca 0.38 -0.79 -0.34 0.00 0.00 0.00 0.00 51.96 51.20 2cvl s ALA 9 Cb 0.20 0.39 -0.15 0.00 0.00 0.00 0.00 23.12 23.56 2cvl s ALA 9 CO 0.32 -0.44 1.43 -2.30 0.00 0.00 0.00 175.76 174.77 2cvl n PRO 10 N 0.10 1.70 -1.94 0.00 -0.02 -1.26 -4.73 135.00 128.86 2cvl n PRO 10 Ca -0.15 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 2cvl n PRO 10 Cb 0.61 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2cvl n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cvl s ALA 11 N 0.53 2.64 -0.61 3.55 0.00 -1.26 -4.92 121.76 121.69 2cvl s ALA 11 Ca 0.79 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 2cvl s ALA 11 Cb -0.78 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 18.87 2cvl s ALA 11 CO 0.44 -1.24 1.25 0.00 0.00 0.00 0.00 175.76 176.22 2cvl s ALA 12 N -1.47 2.91 -0.87 0.00 0.00 -1.26 -4.95 121.76 116.12 2cvl s ALA 12 Ca 0.75 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2cvl s ALA 12 Cb -0.34 -4.09 0.22 0.00 0.00 0.00 0.00 23.12 18.90 2cvl s ALA 12 CO 0.38 -2.83 0.84 0.42 0.00 0.00 0.00 175.76 174.57 2cvl s ILE 13 N 5.33 5.58 -5.00 0.00 1.01 -1.26 -4.89 121.20 121.97 2cvl s ILE 13 Ca 0.43 -2.51 0.00 0.00 0.00 0.00 0.00 60.65 58.57 2cvl s ILE 13 Cb -0.08 -4.51 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2cvl s ILE 13 CO 0.23 -1.09 0.00 0.61 0.00 0.00 0.00 174.94 174.69 2cvl n GLY 14 N 3.95 0.27 2.23 6.18 0.00 -1.26 -4.96 105.19 111.61 2cvl n GLY 14 Ca 0.16 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2cvl n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cvl n PRO 15 N 0.00 2.76 -3.53 1.61 -0.04 -1.26 -4.82 135.00 129.72 2cvl n PRO 15 Ca 0.00 -1.59 -0.13 0.00 -0.04 0.00 0.00 63.50 61.74 2cvl n PRO 15 Cb 0.00 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.00 2cvl n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cvl s TYR 16 N 1.88 -0.43 0.14 0.54 -0.85 -1.26 -5.17 117.35 112.20 2cvl s TYR 16 Ca 0.63 0.35 0.06 0.00 -0.52 0.00 0.00 57.07 57.59 2cvl s TYR 16 Cb 0.22 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 2cvl s TYR 16 CO -0.03 -0.72 0.02 0.00 -1.52 0.00 0.00 175.55 173.30 2cvl s ALA 17 N -3.06 3.29 0.26 9.51 0.00 -1.26 -4.78 121.76 125.72 2cvl s ALA 17 Ca -0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 2cvl s ALA 17 Cb -0.00 -1.13 0.43 0.00 0.00 0.00 0.00 23.12 22.42 2cvl s ALA 17 CO -0.07 0.58 1.85 1.96 0.00 0.00 0.00 175.76 180.08 2cvl h GLN 18 N 2.97 0.97 -3.11 0.00 4.20 -1.94 -3.40 115.11 114.80 2cvl h GLN 18 Ca -0.47 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 2cvl h GLN 18 Cb 1.19 -0.22 -0.11 0.00 0.30 0.00 0.00 27.48 28.64 2cvl h GLN 18 CO 0.59 0.64 0.14 0.00 -0.67 0.00 0.00 178.83 179.54 2cvl s ALA 19 N -6.02 -1.36 -0.03 3.87 0.00 -1.25 -0.77 121.76 116.20 2cvl s ALA 19 Ca -0.12 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2cvl s ALA 19 Cb 0.20 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2cvl s ALA 19 CO 0.80 -0.78 -0.04 0.08 0.00 0.00 0.00 175.76 175.82 2cvl s VAL 20 N -3.79 0.43 -0.24 0.00 1.01 0.41 -0.62 120.40 117.59 2cvl s VAL 20 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2cvl s VAL 20 Cb -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2cvl s VAL 20 CO -0.09 0.19 0.27 -0.54 0.00 0.00 0.00 175.10 174.93 2cvl s LYS 21 N 0.77 4.08 -0.23 2.72 1.02 0.18 -0.30 119.74 127.98 2cvl s LYS 21 Ca -0.09 -0.09 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 2cvl s LYS 21 Cb -0.13 -3.57 0.10 0.00 -0.52 0.00 0.00 37.83 33.71 2cvl s LYS 21 CO -0.00 -0.06 0.86 0.00 -0.92 0.00 0.00 175.35 175.23 2cvl s ALA 22 N 1.40 -1.87 -1.46 5.17 0.00 -0.12 -2.09 121.76 122.79 2cvl s ALA 22 Ca 0.12 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2cvl s ALA 22 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2cvl s ALA 22 CO 0.07 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2cvl n GLY 23 N 2.04 0.03 1.55 0.00 0.00 -1.26 -1.15 105.19 106.39 2cvl n GLY 23 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2cvl n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cvl n GLY 24 N -0.74 0.74 3.46 -0.02 0.00 -1.26 -5.04 105.19 102.33 2cvl n GLY 24 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2cvl n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cvl s PHE 25 N -2.58 2.01 -0.16 1.61 0.40 -0.30 -1.36 117.98 117.61 2cvl s PHE 25 Ca 0.00 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2cvl s PHE 25 Cb 0.00 -1.28 0.02 0.00 0.51 0.00 0.00 43.02 42.28 2cvl s PHE 25 CO 0.00 0.15 -0.14 0.08 0.70 0.00 0.00 175.22 176.01 2cvl s VAL 26 N -3.14 1.60 -0.34 -0.44 1.01 0.14 -0.95 120.40 118.28 2cvl s VAL 26 Ca 0.34 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2cvl s VAL 26 Cb 0.07 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2cvl s VAL 26 CO 0.14 0.43 0.23 -0.36 0.00 0.00 0.00 175.10 175.54 2cvl s PHE 27 N 1.47 3.22 -0.20 5.22 0.08 0.59 -0.98 117.98 127.37 2cvl s PHE 27 Ca 0.04 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 2cvl s PHE 27 Cb -0.13 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2cvl s PHE 27 CO -0.11 -0.39 0.09 0.08 -0.10 0.00 0.00 175.22 174.80 2cvl s VAL 28 N 1.70 4.96 0.81 -0.44 1.01 -0.22 -0.45 120.40 127.77 2cvl s VAL 28 Ca 0.06 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2cvl s VAL 28 Cb -0.17 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.03 2cvl s VAL 28 CO 0.10 0.42 1.16 -0.44 0.00 0.00 0.00 175.10 176.34 2cvl s SER 29 N 0.62 3.77 0.07 3.32 0.01 0.05 -2.68 113.70 118.87 2cvl s SER 29 Ca 0.05 2.18 -0.30 0.00 1.31 0.00 0.00 55.95 59.18 2cvl s SER 29 Cb -0.13 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 2cvl s SER 29 CO 0.01 -2.54 1.87 -0.83 0.41 0.00 0.00 173.24 172.17 2cvl s GLY 30 N -2.56 1.41 -0.05 3.44 0.00 -1.26 -4.54 107.32 103.75 2cvl s GLY 30 Ca 0.68 1.35 -0.10 0.00 0.00 0.00 0.00 44.72 46.66 2cvl s GLY 30 CO 0.52 3.27 0.27 1.20 0.00 0.00 0.00 173.10 178.36 2cvl s GLN 31 N 3.56 3.66 0.34 2.90 -1.52 0.73 -4.84 119.66 124.49 2cvl s GLN 31 Ca 0.83 0.11 0.07 0.00 -1.95 0.00 0.00 55.36 54.43 2cvl s GLN 31 Cb -0.44 -3.19 -0.07 0.00 -0.22 0.00 0.00 33.01 29.10 2cvl s GLN 31 CO 0.38 0.73 -0.04 0.96 -0.25 0.00 0.00 175.29 177.07 2cvl s ILE 32 N -1.09 1.87 -0.73 1.08 -4.36 -1.26 -1.58 121.20 115.13 2cvl s ILE 32 Ca 0.20 -2.11 -0.05 0.00 -0.26 0.00 0.00 60.65 58.44 2cvl s ILE 32 Cb -0.14 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.82 2cvl s ILE 32 CO 0.09 -0.16 2.00 -0.81 0.24 0.00 0.00 174.94 176.31 2cvl n PRO 33 N -0.76 1.78 -4.39 0.37 -0.04 -1.26 -4.52 135.00 126.18 2cvl n PRO 33 Ca -0.05 -1.26 -0.33 0.00 -0.04 0.00 0.00 63.50 61.82 2cvl n PRO 33 Cb 0.65 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 2cvl n PRO 33 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cvl s LEU 34 N 0.08 3.42 0.68 1.53 1.43 -1.26 -0.99 118.68 123.56 2cvl s LEU 34 Ca 0.35 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 2cvl s LEU 34 Cb 0.10 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2cvl s LEU 34 CO -0.03 0.32 1.07 0.00 0.23 0.00 0.00 176.35 177.94 2cvl s ALA 35 N -0.98 2.96 0.52 4.21 0.00 0.11 -4.58 121.76 124.00 2cvl s ALA 35 Ca 0.17 -0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.03 2cvl s ALA 35 Cb -0.11 -2.98 1.38 0.00 0.00 0.00 0.00 23.12 21.40 2cvl s ALA 35 CO 0.07 -1.05 1.97 -1.35 0.00 0.00 0.00 175.76 175.40 2cvl h PRO 36 N -0.57 0.03 0.00 0.00 0.11 -1.87 0.14 132.00 129.85 2cvl h PRO 36 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cvl h PRO 36 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2cvl h PRO 36 CO 0.63 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2cvl n ASP 37 N -4.37 0.00 0.00 -2.05 5.75 -1.26 -4.33 116.55 110.29 2cvl n ASP 37 Ca 0.12 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2cvl n ASP 37 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2cvl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cvl n GLY 38 N 0.65 1.12 3.79 6.12 0.00 0.48 -5.05 105.19 112.30 2cvl n GLY 38 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2cvl n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cvl s SER 39 N -2.90 7.27 0.24 1.61 0.01 -1.26 -4.73 113.70 113.95 2cvl s SER 39 Ca 0.00 1.71 -0.30 0.00 1.31 0.00 0.00 55.95 58.67 2cvl s SER 39 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 2cvl s SER 39 CO 0.00 -0.02 1.15 -0.22 0.41 0.00 0.00 173.24 174.56 2cvl s LEU 40 N -1.96 4.50 -0.44 2.44 2.96 -1.26 0.06 118.68 124.98 2cvl s LEU 40 Ca 0.47 2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 56.44 2cvl s LEU 40 Cb -0.18 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.91 2cvl s LEU 40 CO 0.23 -0.26 0.63 -0.69 -1.32 0.00 0.00 176.35 174.94 2cvl s VAL 41 N -0.66 4.85 0.25 1.68 1.01 -0.17 -4.86 120.40 122.51 2cvl s VAL 41 Ca 0.48 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 2cvl s VAL 41 Cb -0.32 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 2cvl s VAL 41 CO 0.40 -0.59 0.92 -1.61 0.00 0.00 0.00 175.10 174.22 2cvl s GLU 42 N 2.77 4.76 0.00 2.72 2.02 -1.26 -4.78 118.70 124.93 2cvl s GLU 42 Ca 0.22 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.62 2cvl s GLU 42 Cb -0.14 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2cvl s GLU 42 CO 0.18 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2cvl n GLY 43 N 1.26 -1.05 2.63 -1.39 0.00 -1.26 -4.93 105.19 100.45 2cvl n GLY 43 Ca -0.01 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 2cvl n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cvl n ASP 44 N 3.00 -1.10 -0.35 1.61 5.68 -1.26 -4.68 116.55 119.46 2cvl n ASP 44 Ca 0.00 -1.12 0.01 0.00 -0.50 0.00 0.00 54.79 53.18 2cvl n ASP 44 Cb 0.00 -0.73 0.17 0.00 -1.14 0.00 0.00 41.12 39.42 2cvl n ASP 44 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2cvl h ILE 45 N -2.08 1.16 0.25 2.12 6.09 -1.97 -1.17 117.51 121.90 2cvl h ILE 45 Ca -0.30 -0.42 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 2cvl h ILE 45 Cb 0.89 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.02 2cvl h ILE 45 CO 0.20 0.22 -0.12 -0.09 -3.07 0.00 0.00 178.15 175.30 2cvl h ARG 46 N 1.21 -0.32 -0.75 2.19 2.43 -1.92 0.11 114.38 117.32 2cvl h ARG 46 Ca 0.39 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 2cvl h ARG 46 Cb 0.02 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2cvl h ARG 46 CO -0.12 -0.16 0.49 0.28 -1.51 0.00 0.00 179.97 178.95 2cvl h VAL 47 N -0.40 1.17 -0.26 0.20 2.07 -1.83 -0.28 116.25 116.93 2cvl h VAL 47 Ca -0.03 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 2cvl h VAL 47 Cb 0.30 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2cvl h VAL 47 CO 0.06 0.18 -0.54 1.56 0.02 0.00 0.00 177.57 178.85 2cvl h GLN 48 N 1.00 0.77 -0.59 1.57 4.20 -1.13 -2.60 115.11 118.32 2cvl h GLN 48 Ca 0.28 -0.48 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 2cvl h GLN 48 Cb -0.08 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2cvl h GLN 48 CO -0.07 1.11 0.05 1.15 -0.67 0.00 0.00 178.83 180.39 2cvl h THR 49 N 0.59 1.26 -0.90 -0.54 2.02 -0.46 -1.82 112.91 113.05 2cvl h THR 49 Ca 0.01 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2cvl h THR 49 Cb 1.13 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2cvl h THR 49 CO 0.11 0.38 0.57 -0.33 0.37 0.00 0.00 175.52 176.62 2cvl h GLU 50 N 0.92 1.21 -0.72 6.66 5.08 -0.96 -2.22 114.58 124.54 2cvl h GLU 50 Ca 0.18 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2cvl h GLU 50 Cb 0.47 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2cvl h GLU 50 CO 0.02 0.83 0.19 -0.09 -1.00 0.00 0.00 179.01 178.96 2cvl h ARG 51 N 1.23 1.15 -1.03 2.33 9.65 -1.06 -0.66 114.38 126.00 2cvl h ARG 51 Ca 0.33 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2cvl h ARG 51 Cb -0.09 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.34 2cvl h ARG 51 CO -0.07 1.00 0.00 0.28 2.80 0.00 0.00 179.97 183.98 2cvl n VAL 52 N -4.24 0.15 0.00 0.20 0.31 -0.72 -1.65 118.33 112.38 2cvl n VAL 52 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2cvl n VAL 52 Cb 0.25 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 2cvl n VAL 52 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cvl n GLU 54 N 0.62 0.00 -0.11 5.55 -0.58 -0.26 -1.04 120.64 124.82 2cvl n GLU 54 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2cvl n GLU 54 Cb 0.11 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.95 2cvl n GLU 54 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2cvl h ASN 55 N 0.00 0.74 -0.03 1.62 2.35 -1.57 -0.37 115.58 118.32 2cvl h ASN 55 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2cvl h ASN 55 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2cvl h ASN 55 CO 0.00 1.00 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.69 2cvl h LEU 56 N 0.49 -0.05 -0.40 1.61 3.38 -1.36 -1.21 115.31 117.78 2cvl h LEU 56 Ca 0.07 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2cvl h LEU 56 Cb 0.73 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2cvl h LEU 56 CO 0.05 -0.02 0.10 0.50 0.09 0.00 0.00 178.44 179.17 2cvl h LYS 57 N -0.01 0.23 -0.54 1.13 3.64 -1.79 0.42 116.57 119.65 2cvl h LYS 57 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2cvl h LYS 57 Cb 0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2cvl h LYS 57 CO -0.04 0.16 0.31 0.00 -2.27 0.00 0.00 179.45 177.60 2cvl h ALA 58 N 1.28 0.69 -0.39 5.00 0.00 -0.78 -0.75 119.26 124.31 2cvl h ALA 58 Ca 0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2cvl h ALA 58 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2cvl h ALA 58 CO -0.23 0.19 -0.16 0.28 0.00 0.00 0.00 179.25 179.34 2cvl h VAL 59 N 0.72 1.28 -0.50 0.00 2.07 -0.90 -1.83 116.25 117.09 2cvl h VAL 59 Ca 0.19 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2cvl h VAL 59 Cb 0.02 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2cvl h VAL 59 CO -0.03 0.43 0.28 -0.07 0.02 0.00 0.00 177.57 178.19 2cvl h LEU 60 N 0.61 0.62 -0.92 2.57 3.38 -0.73 -2.15 115.31 118.69 2cvl h LEU 60 Ca 0.09 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2cvl h LEU 60 Cb 0.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2cvl h LEU 60 CO 0.05 0.52 -0.32 -0.33 0.09 0.00 0.00 178.44 178.45 2cvl h GLU 61 N 0.66 0.40 0.00 1.13 5.08 -1.09 0.76 114.58 121.53 2cvl h GLU 61 Ca 0.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2cvl h GLU 61 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2cvl h GLU 61 CO -0.03 0.68 -0.01 0.00 -1.00 0.00 0.00 179.01 178.66 2cvl h ALA 62 N 1.31 1.00 -0.01 3.43 0.00 -1.04 -1.64 119.26 122.31 2cvl h ALA 62 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cvl h ALA 62 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cvl h ALA 62 CO 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 2cvl n ALA 63 N -2.09 2.71 -0.72 0.00 0.00 -0.76 -4.90 120.51 114.75 2cvl n ALA 63 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2cvl n ALA 63 Cb 0.30 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2cvl n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cvl n GLY 64 N 1.22 0.63 0.00 0.00 0.00 -0.62 -4.79 105.19 101.64 2cvl n GLY 64 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2cvl n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cvl n SER 65 N 0.27 0.61 -3.65 1.61 2.88 0.19 -4.27 113.62 111.26 2cvl n SER 65 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2cvl n SER 65 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2cvl n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cvl s GLY 66 N -0.16 -0.35 0.32 0.46 0.00 -1.25 -3.73 107.32 102.62 2cvl s GLY 66 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.26 2cvl s GLY 66 CO 0.00 0.99 1.98 1.41 0.00 0.00 0.00 173.10 177.48 2cvl h LEU 67 N 2.00 0.84 -0.53 0.66 3.38 -1.92 -1.48 115.31 118.26 2cvl h LEU 67 Ca -0.29 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2cvl h LEU 67 Cb 1.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2cvl h LEU 67 CO 0.29 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.87 2cvl n SER 68 N -4.44 0.37 -0.94 -0.43 3.41 -1.26 -1.86 113.62 108.47 2cvl n SER 68 Ca 0.09 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 2cvl n SER 68 Cb 0.07 -0.68 0.11 0.00 -0.26 0.00 0.00 64.21 63.45 2cvl n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cvl n ARG 69 N -1.94 2.31 -2.30 4.33 1.74 -0.56 -4.94 116.66 115.29 2cvl n ARG 69 Ca 0.02 -1.90 -0.42 0.00 -0.77 0.00 0.00 57.85 54.78 2cvl n ARG 69 Cb 0.15 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2cvl n ARG 69 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cvl s VAL 70 N -2.00 3.76 -0.22 1.55 1.01 -0.78 -0.87 120.40 122.85 2cvl s VAL 70 Ca 0.28 1.23 0.12 0.00 0.00 0.00 0.00 61.98 63.61 2cvl s VAL 70 Cb 0.20 -3.79 -0.16 0.00 0.00 0.00 0.00 36.38 32.63 2cvl s VAL 70 CO 0.30 0.07 0.35 1.33 0.00 0.00 0.00 175.10 177.15 2cvl n VAL 71 N 4.15 0.00 -3.67 2.92 0.24 -0.36 -4.29 118.33 117.32 2cvl n VAL 71 Ca 0.11 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2cvl n VAL 71 Cb 0.44 0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 2cvl n VAL 71 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2cvl s GLN 72 N -2.52 0.63 0.08 7.34 0.74 -0.99 -0.89 119.66 124.04 2cvl s GLN 72 Ca -0.01 0.92 0.06 0.00 0.05 0.00 0.00 55.36 56.38 2cvl s GLN 72 Cb 0.08 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 2cvl s GLN 72 CO 0.48 -0.12 -0.16 0.95 -0.55 0.00 0.00 175.29 175.89 2cvl s THR 73 N 0.88 1.31 -0.19 -0.34 -4.23 -0.44 -0.55 115.64 112.08 2cvl s THR 73 Ca -0.05 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2cvl s THR 73 Cb -0.05 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.60 2cvl s THR 73 CO -0.07 -0.15 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.87 2cvl s THR 74 N -1.20 1.58 -0.12 3.99 2.01 -0.07 -2.26 115.64 119.57 2cvl s THR 74 Ca 0.01 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2cvl s THR 74 Cb -0.10 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 2cvl s THR 74 CO 0.03 0.18 -0.14 0.00 -0.69 0.00 0.00 174.62 174.00 2cvl s PHE 76 N 0.24 2.55 0.15 0.00 0.40 0.15 -1.77 117.98 119.70 2cvl s PHE 76 Ca -0.09 -0.97 0.10 0.00 -0.60 0.00 0.00 56.93 55.36 2cvl s PHE 76 Cb -0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2cvl s PHE 76 CO 0.05 -0.37 -0.23 -0.51 0.70 0.00 0.00 175.22 174.86 2cvl s LEU 77 N 0.25 2.37 0.48 -0.37 1.43 -0.30 -1.20 118.68 121.35 2cvl s LEU 77 Ca -0.16 -0.79 0.27 0.00 -1.03 0.00 0.00 54.13 52.42 2cvl s LEU 77 Cb -0.17 -1.04 0.83 0.00 0.03 0.00 0.00 46.19 45.84 2cvl s LEU 77 CO 0.08 0.09 1.79 0.00 0.23 0.00 0.00 176.35 178.53 2cvl h ALA 78 N 3.60 0.98 -3.00 4.21 0.00 -1.52 0.36 119.26 123.89 2cvl h ALA 78 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2cvl h ALA 78 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2cvl h ALA 78 CO 0.44 0.09 0.00 -3.47 0.00 0.00 0.00 179.25 176.31 2cvl n ASP 79 N -3.15 1.50 0.00 0.00 -0.08 -1.26 -4.54 116.55 109.01 2cvl n ASP 79 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2cvl n ASP 79 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2cvl n ASP 79 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2cvl n GLU 81 N 0.00 0.00 0.00 -0.67 4.71 -1.26 -4.10 120.64 119.32 2cvl n GLU 81 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 2cvl n GLU 81 Cb 0.00 -0.13 0.46 0.00 -1.01 0.00 0.00 31.44 30.77 2cvl n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2cvl n ASP 82 N 0.00 0.21 -0.15 1.62 8.00 -1.26 -4.22 116.55 120.75 2cvl n ASP 82 Ca 0.00 0.18 -0.03 0.00 0.71 0.00 0.00 54.79 55.65 2cvl n ASP 82 Cb 0.00 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 2cvl n ASP 82 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2cvl h PHE 83 N 0.00 0.05 -0.11 1.24 0.05 -1.99 -0.80 116.94 115.38 2cvl h PHE 83 Ca 0.00 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.85 2cvl h PHE 83 Cb 0.50 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.48 2cvl h PHE 83 CO 0.00 -0.07 -0.03 -1.35 -0.18 0.00 0.00 178.31 176.68 2cvl h PRO 84 N 0.16 -0.01 -0.42 1.51 0.11 -1.97 0.82 132.00 132.20 2cvl h PRO 84 Ca 0.24 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 2cvl h PRO 84 Cb 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2cvl h PRO 84 CO -0.36 -0.01 -0.20 0.78 -0.21 0.00 0.00 178.00 178.00 2cvl h GLY 85 N -0.01 0.91 0.95 -0.55 0.00 -1.80 -2.29 103.07 100.29 2cvl h GLY 85 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2cvl h GLY 85 CO -0.12 0.70 0.18 -2.75 0.00 0.00 0.00 176.54 174.56 2cvl h PHE 86 N 0.73 0.52 -0.63 5.60 3.04 -0.93 -2.81 116.94 122.46 2cvl h PHE 86 Ca 0.10 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 2cvl h PHE 86 Cb 0.73 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 2cvl h PHE 86 CO 0.04 0.43 0.27 -0.91 -2.02 0.00 0.00 178.31 176.12 2cvl h ASN 87 N 0.46 0.82 -0.40 0.41 2.35 -0.68 -0.48 115.58 118.06 2cvl h ASN 87 Ca 0.13 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2cvl h ASN 87 Cb 0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2cvl h ASN 87 CO -0.02 0.72 0.23 -0.08 -1.65 0.00 0.00 177.43 176.64 2cvl h GLU 88 N 0.90 0.46 -0.07 0.81 4.81 -1.16 -0.23 114.58 120.09 2cvl h GLU 88 Ca 0.22 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2cvl h GLU 88 Cb 0.14 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2cvl h GLU 88 CO -0.02 0.30 -0.37 0.28 -0.73 0.00 0.00 179.01 178.47 2cvl h VAL 89 N 0.47 1.42 -0.64 0.32 2.07 -1.36 -3.25 116.25 115.28 2cvl h VAL 89 Ca 0.16 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.02 2cvl h VAL 89 Cb 0.01 2.33 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 2cvl h VAL 89 CO -0.08 0.51 0.21 0.22 0.02 0.00 0.00 177.57 178.45 2cvl h TYR 90 N -0.11 0.35 0.00 1.57 3.20 -0.94 -0.92 116.97 120.12 2cvl h TYR 90 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2cvl h TYR 90 Cb 1.03 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2cvl h TYR 90 CO 0.13 0.04 0.00 0.00 -1.64 0.00 0.00 178.16 176.68 2cvl h ALA 91 N 1.48 1.00 0.00 1.82 0.00 -1.09 -2.00 119.26 120.47 2cvl h ALA 91 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 2cvl h ALA 91 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2cvl h ALA 91 CO -0.37 0.00 -0.64 0.00 0.00 0.00 0.00 179.25 178.24 2cvl h ARG 92 N 0.00 0.00 0.00 0.00 3.08 -1.20 -3.33 114.38 112.94 2cvl h ARG 92 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 2cvl h ARG 92 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2cvl h ARG 92 CO 0.00 0.53 -1.72 0.66 -1.07 0.00 0.00 179.97 178.38 2cvl n TYR 93 N -3.21 0.65 -5.05 3.04 4.02 -0.82 -4.88 117.16 110.91 2cvl n TYR 93 Ca 0.01 0.22 -0.32 0.00 -0.01 0.00 0.00 57.90 57.79 2cvl n TYR 93 Cb 0.77 -1.00 -0.15 0.00 -0.02 0.00 0.00 39.34 38.94 2cvl n TYR 93 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2cvl s PHE 94 N -2.89 2.58 0.12 -0.72 0.40 -0.82 -4.85 117.98 111.79 2cvl s PHE 94 Ca -0.05 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 2cvl s PHE 94 Cb 0.09 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2cvl s PHE 94 CO 0.83 -0.03 -0.13 0.95 0.70 0.00 0.00 175.22 177.54 2cvl s THR 95 N -0.38 1.23 0.15 0.64 -4.23 -1.26 -4.59 115.64 107.19 2cvl s THR 95 Ca 0.03 -1.69 -0.34 0.00 -1.18 0.00 0.00 61.69 58.51 2cvl s THR 95 Cb -0.12 -1.48 -0.16 0.00 1.34 0.00 0.00 72.50 72.08 2cvl s THR 95 CO 0.02 -0.45 1.29 -2.65 -0.54 0.00 0.00 174.62 172.29 2cvl n PRO 96 N 0.54 1.34 -2.45 3.99 -0.02 -1.26 -3.63 135.00 133.51 2cvl n PRO 96 Ca -0.16 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2cvl n PRO 96 Cb 0.57 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2cvl n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2cvl s PRO 97 N 0.05 4.43 0.56 0.52 0.04 -1.26 -5.16 135.00 134.19 2cvl s PRO 97 Ca 0.77 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.39 2cvl s PRO 97 Cb -0.85 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2cvl s PRO 97 CO 0.49 -0.26 1.02 0.71 0.04 0.00 0.00 177.00 179.00 2cvl s TYR 98 N 1.17 3.24 0.88 0.56 4.12 -1.24 -5.04 117.35 121.04 2cvl s TYR 98 Ca 0.58 1.48 -0.12 0.00 0.02 0.00 0.00 57.07 59.03 2cvl s TYR 98 Cb -0.28 -2.89 0.12 0.00 -1.52 0.00 0.00 41.96 37.39 2cvl s TYR 98 CO 0.28 -0.75 1.09 -2.14 0.02 0.00 0.00 175.55 174.06 2cvl s PRO 99 N -4.16 1.37 0.60 -1.71 0.02 -1.26 -5.00 135.00 124.85 2cvl s PRO 99 Ca 0.61 0.78 -0.15 0.00 0.02 0.00 0.00 61.00 62.26 2cvl s PRO 99 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2cvl s PRO 99 CO 0.36 -2.15 1.04 0.00 -0.33 0.00 0.00 177.00 175.92 2cvl s ALA 100 N -2.97 2.81 -0.04 -1.55 0.00 -0.07 -4.88 121.76 115.05 2cvl s ALA 100 Ca 0.63 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 2cvl s ALA 100 Cb -0.17 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2cvl s ALA 100 CO 0.56 -0.77 0.38 0.50 0.00 0.00 0.00 175.76 176.43 2cvl s ARG 101 N -4.33 0.69 -0.05 0.00 3.52 -1.26 -1.33 118.95 116.19 2cvl s ARG 101 Ca 0.61 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.23 2cvl s ARG 101 Cb -0.14 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2cvl s ARG 101 CO 0.40 -0.18 -0.13 0.00 -0.81 0.00 0.00 175.30 174.58 2cvl s ALA 102 N -1.06 1.23 -0.02 6.12 0.00 -0.96 -4.99 121.76 122.09 2cvl s ALA 102 Ca -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2cvl s ALA 102 Cb -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2cvl s ALA 102 CO 0.04 0.17 -0.03 0.99 0.00 0.00 0.00 175.76 176.94 2cvl s THR 103 N 0.34 0.32 0.09 0.00 2.01 -1.26 -0.63 115.64 116.51 2cvl s THR 103 Ca -0.08 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 2cvl s THR 103 Cb -0.12 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 2cvl s THR 103 CO 0.02 0.14 0.13 0.68 -0.69 0.00 0.00 174.62 174.90 2cvl s VAL 104 N 0.49 0.15 -0.14 3.82 -7.23 -0.73 -5.01 120.40 111.75 2cvl s VAL 104 Ca -0.05 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2cvl s VAL 104 Cb -0.08 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2cvl s VAL 104 CO -0.01 -0.69 -0.04 0.00 -0.31 0.00 0.00 175.10 174.05 2cvl s ALA 105 N -3.91 3.00 0.45 1.32 0.00 -1.26 -1.15 121.76 120.22 2cvl s ALA 105 Ca 0.09 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2cvl s ALA 105 Cb 0.06 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 2cvl s ALA 105 CO -0.08 0.29 0.01 0.14 0.00 0.00 0.00 175.76 176.12 2cvl s VAL 106 N 0.11 1.57 0.06 0.00 -7.23 0.12 -4.92 120.40 110.10 2cvl s VAL 106 Ca -0.01 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 57.82 2cvl s VAL 106 Cb -0.14 -2.61 -0.19 0.00 0.56 0.00 0.00 36.38 34.01 2cvl s VAL 106 CO 0.03 0.00 1.52 0.50 -0.31 0.00 0.00 175.10 176.83 2cvl h LYS 107 N 1.60 -1.04 -2.71 4.82 1.63 -1.88 -3.43 116.57 115.55 2cvl h LYS 107 Ca -0.44 0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.33 2cvl h LYS 107 Cb 1.27 0.24 -0.21 0.00 -0.60 0.00 0.00 32.23 32.93 2cvl h LYS 107 CO 0.77 -0.69 -0.15 0.00 -3.45 0.00 0.00 179.45 175.93 2cvl s ALA 108 N -5.83 -1.08 0.27 5.00 0.00 -1.26 -5.02 121.76 113.84 2cvl s ALA 108 Ca -0.18 0.79 0.10 0.00 0.00 0.00 0.00 51.96 52.68 2cvl s ALA 108 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2cvl s ALA 108 CO 0.58 -0.27 -0.07 -0.51 0.00 0.00 0.00 175.76 175.50 2cvl s LEU 109 N -0.87 2.99 0.32 0.00 1.43 -1.26 -5.05 118.68 116.23 2cvl s LEU 109 Ca -0.09 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 51.96 2cvl s LEU 109 Cb -0.04 -1.51 -0.14 0.00 0.03 0.00 0.00 46.19 44.54 2cvl s LEU 109 CO 0.04 0.00 0.93 -2.65 0.23 0.00 0.00 176.35 174.91 2cvl n PRO 110 N -0.81 1.20 -1.03 1.29 -0.02 -1.26 -1.28 135.00 133.08 2cvl n PRO 110 Ca -0.06 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2cvl n PRO 110 Cb 0.59 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 2cvl n PRO 110 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cvl n ARG 111 N 0.64 -1.88 -1.73 -0.52 5.12 -1.26 -2.01 116.66 115.02 2cvl n ARG 111 Ca 0.10 0.59 -0.11 0.00 -1.93 0.00 0.00 57.85 56.50 2cvl n ARG 111 Cb 0.33 -4.90 -0.03 0.00 -1.16 0.00 0.00 32.46 26.70 2cvl n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cvl n GLY 112 N 0.65 0.62 3.74 -0.13 0.00 -0.40 -5.01 105.19 104.67 2cvl n GLY 112 Ca -0.04 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 2cvl n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cvl s VAL 113 N -2.47 2.62 -2.67 1.61 -7.23 -0.85 -4.93 120.40 106.48 2cvl s VAL 113 Ca 0.00 0.20 0.23 0.00 -1.81 0.00 0.00 61.98 60.60 2cvl s VAL 113 Cb 0.00 -2.79 0.13 0.00 0.56 0.00 0.00 36.38 34.28 2cvl s VAL 113 CO 0.00 -0.26 1.20 -2.11 -0.31 0.00 0.00 175.10 173.61 2cvl n ARG 114 N -3.78 1.96 -3.68 4.82 1.85 -1.26 -4.42 116.66 112.15 2cvl n ARG 114 Ca 0.07 -1.63 -0.14 0.00 -1.00 0.00 0.00 57.85 55.15 2cvl n ARG 114 Cb 0.56 -1.46 -0.08 0.00 -1.05 0.00 0.00 32.46 30.43 2cvl n ARG 114 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2cvl s VAL 115 N -2.11 0.00 -0.06 8.89 0.11 -1.26 -1.48 120.40 124.49 2cvl s VAL 115 Ca 0.25 -0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 2cvl s VAL 115 Cb 0.19 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2cvl s VAL 115 CO 0.38 -0.00 0.13 -0.70 -3.33 0.00 0.00 175.10 171.57 2cvl s GLU 116 N 0.28 0.08 -0.05 1.54 2.12 -0.34 -4.21 118.70 118.12 2cvl s GLU 116 Ca -0.00 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.67 2cvl s GLU 116 Cb -0.04 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.21 2cvl s GLU 116 CO 0.01 -0.15 -0.07 0.08 -0.54 0.00 0.00 175.26 174.59 2cvl s VAL 117 N 1.04 0.75 0.31 3.70 1.01 -0.61 -0.67 120.40 125.93 2cvl s VAL 117 Ca -0.08 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2cvl s VAL 117 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2cvl s VAL 117 CO -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.29 2cvl s ALA 118 N 0.86 3.10 0.28 5.51 0.00 -0.46 -0.19 121.76 130.86 2cvl s ALA 118 Ca -0.12 -1.88 -0.21 0.00 0.00 0.00 0.00 51.96 49.76 2cvl s ALA 118 Cb -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2cvl s ALA 118 CO 0.01 0.16 0.70 0.00 0.00 0.00 0.00 175.76 176.63 2cvl s VAL 120 N -3.92 0.96 0.16 0.00 1.01 0.29 -1.05 120.40 117.84 2cvl s VAL 120 Ca 0.12 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2cvl s VAL 120 Cb -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2cvl s VAL 120 CO 0.07 0.30 -0.02 0.00 0.00 0.00 0.00 175.10 175.45 2cvl s ALA 121 N 0.42 1.32 0.30 5.51 0.00 -0.15 -1.22 121.76 127.95 2cvl s ALA 121 Ca -0.08 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.06 2cvl s ALA 121 Cb -0.12 0.41 -0.10 0.00 0.00 0.00 0.00 23.12 23.31 2cvl s ALA 121 CO 0.02 -0.27 0.96 -0.51 0.00 0.00 0.00 175.76 175.95 2cvl s LEU 122 N -3.16 4.42 0.00 0.00 1.43 -0.05 0.23 118.68 121.56 2cvl s LEU 122 Ca 0.21 1.90 -0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2cvl s LEU 122 Cb 0.05 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.42 2cvl s LEU 122 CO 0.02 -0.04 0.22 0.00 0.23 0.00 0.00 176.35 176.78 2cvl n ALA 123 N 0.81 -0.28 -0.36 4.21 0.00 -0.46 -4.67 120.51 119.76 2cvl n ALA 123 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2cvl n ALA 123 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2cvl n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89