#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cum s SER 2 N 0.00 6.53 -0.32 1.61 1.04 -1.26 -5.02 113.70 116.29 2cum s SER 2 Ca 0.00 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.30 2cum s SER 2 Cb 0.00 -2.17 0.46 0.00 0.10 0.00 0.00 66.02 64.41 2cum s SER 2 CO 0.00 -0.10 1.16 -0.24 0.98 0.00 0.00 173.24 175.04 2cum n SER 3 N -0.42 4.36 -2.47 7.02 2.88 -1.26 -4.97 113.62 118.76 2cum n SER 3 Ca -0.01 -3.50 -0.00 0.00 -1.33 0.00 0.00 58.87 54.04 2cum n SER 3 Cb 0.53 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2cum n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cum n GLY 4 N -0.63 -0.88 3.25 0.46 0.00 -1.26 -5.07 105.19 101.05 2cum n GLY 4 Ca 0.37 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 2cum n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cum s SER 5 N -2.62 -0.44 -1.47 1.61 0.01 -1.26 -4.91 113.70 104.62 2cum s SER 5 Ca 0.00 0.80 -0.09 0.00 1.31 0.00 0.00 55.95 57.97 2cum s SER 5 Cb -0.00 0.73 0.06 0.00 0.21 0.00 0.00 66.02 67.02 2cum s SER 5 CO 0.46 -0.16 0.82 -1.20 0.41 0.00 0.00 173.24 173.57 2cum n SER 6 N 3.68 -3.10 -3.60 2.44 7.64 -1.26 -4.84 113.62 114.58 2cum n SER 6 Ca -0.19 -0.84 -0.41 0.00 1.01 0.00 0.00 58.87 58.44 2cum n SER 6 Cb 0.56 -3.74 -0.01 0.00 -1.01 0.00 0.00 64.21 60.01 2cum n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cum n GLY 7 N -1.67 4.58 3.99 0.23 0.00 -1.26 -4.94 105.19 106.12 2cum n GLY 7 Ca -0.10 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.97 2cum n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cum s LEU 8 N 0.42 3.28 0.04 0.99 1.43 -1.26 -5.10 118.68 118.48 2cum s LEU 8 Ca 0.53 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2cum s LEU 8 Cb 0.15 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 2cum s LEU 8 CO -0.06 -1.21 -0.12 -1.61 0.23 0.00 0.00 176.35 173.57 2cum s GLU 9 N -4.74 0.81 0.29 1.70 0.41 -1.26 -5.13 118.70 110.78 2cum s GLU 9 Ca 0.59 -0.73 0.08 0.00 -0.41 0.00 0.00 54.97 54.49 2cum s GLU 9 Cb -0.09 -0.78 -0.04 0.00 -1.78 0.00 0.00 34.13 31.45 2cum s GLU 9 CO 0.38 0.19 0.18 0.00 -0.49 0.00 0.00 175.26 175.52 2cum s ALA 10 N -0.93 3.57 0.35 5.21 0.00 -1.26 -4.81 121.76 123.89 2cum s ALA 10 Ca -0.01 -1.59 -0.28 0.00 0.00 0.00 0.00 51.96 50.08 2cum s ALA 10 Cb -0.08 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 2cum s ALA 10 CO 0.01 0.15 1.21 -1.25 0.00 0.00 0.00 175.76 175.88 2cum s PRO 11 N -3.86 4.30 0.37 0.00 0.04 -1.26 -4.60 135.00 129.99 2cum s PRO 11 Ca 0.36 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.43 2cum s PRO 11 Cb -0.06 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 2cum s PRO 11 CO 0.24 -0.16 0.18 -0.98 0.04 0.00 0.00 177.00 176.33 2cum s ARG 12 N -1.91 1.82 -1.33 4.56 1.70 -1.14 -4.72 118.95 117.92 2cum s ARG 12 Ca 0.51 -2.08 -0.08 0.00 -0.47 0.00 0.00 55.73 53.61 2cum s ARG 12 Cb -0.35 -0.21 0.01 0.00 -0.57 0.00 0.00 34.95 33.83 2cum s ARG 12 CO 0.45 -0.53 1.08 -3.47 -1.08 0.00 0.00 175.30 171.75 2cum n ASP 13 N -1.32 -6.21 -4.55 -2.89 2.03 -1.26 -0.75 116.55 101.59 2cum n ASP 13 Ca -0.00 -0.49 -0.43 0.00 0.52 0.00 0.00 54.79 54.38 2cum n ASP 13 Cb 0.64 -4.86 -0.04 0.00 -0.72 0.00 0.00 41.12 36.14 2cum n ASP 13 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2cum s LEU 14 N -7.00 4.08 0.02 -2.67 2.96 -1.26 -4.30 118.68 110.50 2cum s LEU 14 Ca 0.54 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2cum s LEU 14 Cb -0.24 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 2cum s LEU 14 CO 0.66 -1.09 -0.03 -0.70 -1.32 0.00 0.00 176.35 173.88 2cum s GLU 15 N 3.74 0.28 -0.22 1.98 2.12 -1.15 -4.83 118.70 120.62 2cum s GLU 15 Ca 0.34 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.86 2cum s GLU 15 Cb -0.11 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2cum s GLU 15 CO 0.23 -0.03 0.98 0.00 -0.54 0.00 0.00 175.26 175.90 2cum s ALA 16 N -1.22 3.65 0.22 6.30 0.00 -1.26 -2.96 121.76 126.48 2cum s ALA 16 Ca -0.13 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.07 2cum s ALA 16 Cb -0.08 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2cum s ALA 16 CO -0.01 -0.97 -0.20 0.15 0.00 0.00 0.00 175.76 174.73 2cum s LYS 17 N 2.97 1.66 -1.47 0.00 1.02 0.93 -4.70 119.74 120.15 2cum s LYS 17 Ca 0.42 -1.55 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 2cum s LYS 17 Cb -0.15 -1.88 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2cum s LYS 17 CO 0.08 0.39 1.03 0.39 -0.92 0.00 0.00 175.35 176.31 2cum n GLU 18 N -0.03 -6.30 -2.02 1.68 -0.58 -1.26 -1.74 120.64 110.39 2cum n GLU 18 Ca -0.10 0.69 -0.42 0.00 -0.42 0.00 0.00 57.16 56.90 2cum n GLU 18 Cb 0.57 -5.63 -0.03 0.00 -0.57 0.00 0.00 31.44 25.78 2cum n GLU 18 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cum s VAL 19 N -3.29 3.04 0.05 2.62 1.01 -1.26 -4.04 120.40 118.53 2cum s VAL 19 Ca 0.62 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 2cum s VAL 19 Cb -0.30 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2cum s VAL 19 CO 0.77 0.03 -0.03 0.42 0.00 0.00 0.00 175.10 176.29 2cum s THR 20 N 1.75 0.21 -2.00 3.92 -4.23 0.57 -4.65 115.64 111.21 2cum s THR 20 Ca 0.69 -1.76 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 2cum s THR 20 Cb -0.39 -1.45 0.38 0.00 1.34 0.00 0.00 72.50 72.37 2cum s THR 20 CO 0.31 -0.97 1.21 -0.81 -0.54 0.00 0.00 174.62 173.82 2cum n PRO 21 N 0.19 0.49 0.00 3.99 -0.04 -1.26 -3.03 135.00 135.34 2cum n PRO 21 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2cum n PRO 21 Cb 0.61 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2cum n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cum n ARG 22 N -0.92 0.53 -4.16 0.54 1.74 -1.26 -4.21 116.66 108.91 2cum n ARG 22 Ca 0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 2cum n ARG 22 Cb 0.05 -0.95 -0.08 0.00 -1.02 0.00 0.00 32.46 30.46 2cum n ARG 22 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2cum s THR 23 N -1.89 0.00 -0.25 0.55 -4.23 -1.17 -4.16 115.64 104.49 2cum s THR 23 Ca 0.00 -1.82 -0.15 0.00 -1.18 0.00 0.00 61.69 58.54 2cum s THR 23 Cb 0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.43 2cum s THR 23 CO 0.00 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.70 2cum s ALA 24 N -3.75 -1.67 -0.11 3.99 0.00 -1.17 -0.32 121.76 118.73 2cum s ALA 24 Ca 0.35 2.18 -0.05 0.00 0.00 0.00 0.00 51.96 54.44 2cum s ALA 24 Cb 0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2cum s ALA 24 CO 0.17 -0.35 0.10 -1.17 0.00 0.00 0.00 175.76 174.51 2cum s LEU 25 N 1.50 4.13 -0.25 0.00 2.96 -0.71 -1.25 118.68 125.06 2cum s LEU 25 Ca -0.09 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2cum s LEU 25 Cb -0.06 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.70 2cum s LEU 25 CO -0.17 0.39 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.44 2cum s LEU 26 N -0.95 2.94 -0.18 -0.68 1.43 -1.02 -0.05 118.68 120.17 2cum s LEU 26 Ca 0.14 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 2cum s LEU 26 Cb -0.12 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 2cum s LEU 26 CO 0.03 -0.24 0.16 0.42 0.23 0.00 0.00 176.35 176.96 2cum s THR 27 N 1.29 5.40 0.11 5.49 -4.23 -1.16 -2.87 115.64 119.67 2cum s THR 27 Ca -0.05 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 2cum s THR 27 Cb -0.19 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2cum s THR 27 CO -0.06 0.46 -0.10 -1.66 -0.54 0.00 0.00 174.62 172.71 2cum s TRP 28 N 0.12 1.14 -0.18 3.99 -2.14 -1.09 -2.94 118.94 117.85 2cum s TRP 28 Ca 0.11 -0.67 -0.18 0.00 2.66 0.00 0.00 56.10 58.02 2cum s TRP 28 Cb -0.12 -0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 29.61 2cum s TRP 28 CO 0.00 0.03 0.47 0.99 -2.66 0.00 0.00 176.95 175.78 2cum s THR 29 N -2.60 5.16 0.24 0.66 2.01 0.07 -4.69 115.64 116.48 2cum s THR 29 Ca 0.08 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 2cum s THR 29 Cb -0.02 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 2cum s THR 29 CO 0.00 0.24 1.02 -1.61 -0.69 0.00 0.00 174.62 173.58 2cum s GLU 30 N 1.27 4.73 1.01 4.92 8.01 -1.26 -2.90 118.70 134.48 2cum s GLU 30 Ca 0.23 1.64 -0.12 0.00 0.01 0.00 0.00 54.97 56.72 2cum s GLU 30 Cb -0.15 -3.25 0.19 0.00 -4.31 0.00 0.00 34.13 26.61 2cum s GLU 30 CO 0.09 0.32 1.09 -1.25 0.01 0.00 0.00 175.26 175.53 2cum s PRO 31 N -1.10 0.34 0.00 0.39 0.04 -1.26 -4.89 135.00 128.51 2cum s PRO 31 Ca 0.44 0.49 0.11 0.00 0.04 0.00 0.00 61.00 62.08 2cum s PRO 31 Cb -0.29 -1.73 0.65 0.00 0.04 0.00 0.00 34.50 33.18 2cum s PRO 31 CO 0.36 -2.79 1.08 -0.35 0.04 0.00 0.00 177.00 175.34 2cum n PRO 32 N -4.21 0.49 -4.14 0.56 -0.04 -1.26 -4.56 135.00 121.83 2cum n PRO 32 Ca 0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 2cum n PRO 32 Cb 0.57 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.52 2cum n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cum s VAL 33 N -2.00 0.94 -0.27 0.52 1.01 -1.26 -5.10 120.40 114.24 2cum s VAL 33 Ca 0.16 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2cum s VAL 33 Cb 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2cum s VAL 33 CO 0.13 0.34 1.63 -0.60 0.00 0.00 0.00 175.10 176.59 2cum s ARG 34 N 1.29 3.66 1.16 2.72 6.06 -1.26 -4.97 118.95 127.60 2cum s ARG 34 Ca -0.03 1.50 -0.18 0.00 -2.50 0.00 0.00 55.73 54.52 2cum s ARG 34 Cb -0.14 -4.07 0.27 0.00 0.06 0.00 0.00 34.95 31.07 2cum s ARG 34 CO -0.03 -1.46 1.11 -1.25 -2.50 0.00 0.00 175.30 171.16 2cum s PRO 35 N 4.94 -0.88 -0.08 5.12 0.04 -1.26 -5.00 135.00 137.87 2cum s PRO 35 Ca 0.72 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.82 2cum s PRO 35 Cb -0.23 -1.63 -0.25 0.00 0.04 0.00 0.00 34.50 32.44 2cum s PRO 35 CO 0.31 -3.51 0.53 0.00 0.04 0.00 0.00 177.00 174.36 2cum h ALA 36 N -2.44 0.55 -2.95 8.56 0.00 -0.81 -3.48 119.26 118.68 2cum h ALA 36 Ca -0.47 -1.39 0.01 0.00 0.00 0.00 0.00 54.91 53.05 2cum h ALA 36 Cb 1.30 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2cum h ALA 36 CO 0.39 1.40 0.30 0.20 0.00 0.00 0.00 179.25 181.54 2cum s GLY 37 N -5.35 0.28 -0.01 0.00 0.00 -1.24 -4.64 107.32 96.37 2cum s GLY 37 Ca -0.14 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2cum s GLY 37 CO 0.80 -0.06 -0.02 -0.19 0.00 0.00 0.00 173.10 173.62 2cum s TYR 38 N -2.53 0.26 -0.29 1.90 2.02 -1.02 -1.58 117.35 116.12 2cum s TYR 38 Ca 0.15 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2cum s TYR 38 Cb -0.05 -0.20 0.09 0.00 -0.40 0.00 0.00 41.96 41.40 2cum s TYR 38 CO 0.10 -0.02 0.08 -1.17 -1.57 0.00 0.00 175.55 172.97 2cum s LEU 39 N 0.11 2.02 -0.25 -1.29 2.96 0.75 -0.70 118.68 122.28 2cum s LEU 39 Ca -0.01 -1.48 -0.21 0.00 -0.22 0.00 0.00 54.13 52.21 2cum s LEU 39 Cb -0.03 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2cum s LEU 39 CO -0.00 -0.39 0.67 -0.22 -1.32 0.00 0.00 176.35 175.09 2cum s LEU 40 N 1.66 4.07 -0.25 -0.68 2.96 -0.76 -2.98 118.68 122.69 2cum s LEU 40 Ca 0.07 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2cum s LEU 40 Cb -0.17 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.62 2cum s LEU 40 CO -0.22 -0.41 -0.04 -0.55 -1.32 0.00 0.00 176.35 173.81 2cum s SER 41 N 1.45 4.42 -0.12 3.68 0.15 -1.14 -1.31 113.70 120.83 2cum s SER 41 Ca 0.28 -0.86 0.03 0.00 0.70 0.00 0.00 55.95 56.10 2cum s SER 41 Cb -0.15 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2cum s SER 41 CO 0.08 -0.14 -0.20 0.72 1.20 0.00 0.00 173.24 174.91 2cum s PHE 42 N 1.34 2.38 0.18 3.44 -0.12 -1.00 -1.87 117.98 122.33 2cum s PHE 42 Ca 0.00 -1.12 0.09 0.00 -0.05 0.00 0.00 56.93 55.85 2cum s PHE 42 Cb -0.17 -1.64 -0.04 0.00 -0.63 0.00 0.00 43.02 40.54 2cum s PHE 42 CO -0.04 -0.51 -0.18 -3.38 -0.05 0.00 0.00 175.22 171.06 2cum s HIS 43 N 0.75 1.86 0.11 3.49 -3.43 -1.00 -2.98 115.29 114.08 2cum s HIS 43 Ca -0.10 -0.47 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 2cum s HIS 43 Cb -0.16 -0.91 -0.04 0.00 -1.43 0.00 0.00 32.58 30.04 2cum s HIS 43 CO 0.01 0.36 0.22 0.95 -2.00 0.00 0.00 174.74 174.28 2cum s THR 44 N -2.14 5.18 -1.19 -5.38 -4.23 -1.26 -2.65 115.64 103.97 2cum s THR 44 Ca 0.17 -0.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.83 2cum s THR 44 Cb -0.05 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 2cum s THR 44 CO 0.07 0.01 1.93 -0.81 -0.54 0.00 0.00 174.62 175.29 2cum n PRO 45 N -0.13 1.60 0.00 3.99 -0.04 -1.26 -2.11 135.00 137.05 2cum n PRO 45 Ca -0.07 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 2cum n PRO 45 Cb 0.53 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 2cum n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cum n GLY 46 N 5.76 1.09 0.00 0.55 0.00 -1.26 -5.11 105.19 106.23 2cum n GLY 46 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2cum n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cum n GLY 47 N 0.00 2.88 3.84 -0.02 0.00 -0.90 -5.13 105.19 105.86 2cum n GLY 47 Ca 0.00 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 2cum n GLY 47 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cum s GLN 48 N 2.96 3.04 0.50 1.61 2.00 -1.26 -4.75 119.66 123.75 2cum s GLN 48 Ca 0.00 -0.84 -0.19 0.00 -2.00 0.00 0.00 55.36 52.34 2cum s GLN 48 Cb 0.00 -2.71 -0.08 0.00 0.80 0.00 0.00 33.01 31.02 2cum s GLN 48 CO 0.00 0.48 1.00 0.99 -0.50 0.00 0.00 175.29 177.26 2cum s THR 49 N -1.82 4.19 0.02 -0.34 2.01 -1.26 -4.23 115.64 114.21 2cum s THR 49 Ca 0.32 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.56 2cum s THR 49 Cb -0.10 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 2cum s THR 49 CO 0.25 -0.44 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.07 2cum s GLN 50 N -3.62 0.62 -0.08 4.92 2.00 -1.16 -5.00 119.66 117.35 2cum s GLN 50 Ca 0.63 -0.51 0.04 0.00 -2.00 0.00 0.00 55.36 53.52 2cum s GLN 50 Cb -0.12 -0.55 -0.01 0.00 0.80 0.00 0.00 33.01 33.13 2cum s GLN 50 CO 0.24 0.14 -0.19 -1.21 -0.50 0.00 0.00 175.29 173.77 2cum s GLU 51 N -0.79 2.79 -0.10 1.67 2.02 -1.26 -2.37 118.70 120.65 2cum s GLU 51 Ca -0.01 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2cum s GLU 51 Cb -0.06 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.84 2cum s GLU 51 CO 0.00 0.39 -0.13 0.42 0.02 0.00 0.00 175.26 175.96 2cum s ILE 52 N -0.14 1.32 -0.19 -1.63 1.01 -0.43 -5.02 121.20 116.12 2cum s ILE 52 Ca -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2cum s ILE 52 Cb -0.14 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.11 2cum s ILE 52 CO 0.04 0.41 1.06 -0.22 0.00 0.00 0.00 174.94 176.22 2cum s LEU 53 N 1.00 4.15 0.07 2.97 2.96 -1.26 -1.83 118.68 126.74 2cum s LEU 53 Ca -0.07 1.46 0.09 0.00 -0.22 0.00 0.00 54.13 55.38 2cum s LEU 53 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2cum s LEU 53 CO -0.01 -0.63 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.42 2cum s LEU 54 N 2.94 2.47 0.81 -0.68 1.02 0.12 -4.99 118.68 120.38 2cum s LEU 54 Ca 0.46 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.96 2cum s LEU 54 Cb -0.17 -1.42 0.08 0.00 0.02 0.00 0.00 46.19 44.71 2cum s LEU 54 CO 0.10 0.23 1.09 -2.16 0.02 0.00 0.00 176.35 175.63 2cum s PRO 55 N -1.65 1.92 -0.43 1.29 0.04 -1.26 -2.42 135.00 132.49 2cum s PRO 55 Ca 0.15 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 2cum s PRO 55 Cb -0.10 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2cum s PRO 55 CO 0.06 -1.84 0.48 0.20 0.04 0.00 0.00 177.00 175.94 2cum s GLY 56 N -3.41 1.86 0.00 0.56 0.00 -1.26 -4.34 107.32 100.73 2cum s GLY 56 Ca 0.62 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2cum s GLY 56 CO 0.56 1.25 0.00 0.61 0.00 0.00 0.00 173.10 175.52 2cum n GLY 57 N 5.10 0.62 3.22 0.20 0.00 -1.26 -5.04 105.19 108.03 2cum n GLY 57 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2cum n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cum s ILE 58 N -0.62 1.66 -0.19 -0.61 -4.36 -1.26 -5.02 121.20 110.79 2cum s ILE 58 Ca 0.00 -0.90 0.16 0.00 -0.26 0.00 0.00 60.65 59.66 2cum s ILE 58 Cb 0.00 -1.38 0.58 0.00 1.25 0.00 0.00 42.46 42.91 2cum s ILE 58 CO 0.00 0.47 1.48 0.35 0.24 0.00 0.00 174.94 177.47 2cum n THR 59 N 2.58 2.37 -3.60 8.37 -2.24 -1.26 -4.93 114.28 115.56 2cum n THR 59 Ca -0.15 -1.81 -0.05 0.00 -2.27 0.00 0.00 64.05 59.77 2cum n THR 59 Cb 0.53 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 2cum n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2cum s SER 60 N -1.75 -0.16 -0.17 3.42 1.04 -1.26 -2.66 113.70 112.15 2cum s SER 60 Ca 0.44 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.82 2cum s SER 60 Cb 0.35 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2cum s SER 60 CO 0.10 -0.21 0.46 -2.28 0.98 0.00 0.00 173.24 172.29 2cum s HIS 61 N -1.76 -0.53 -0.27 5.02 2.46 -1.14 -5.00 115.29 114.07 2cum s HIS 61 Ca 0.07 1.26 -0.17 0.00 0.47 0.00 0.00 55.06 56.69 2cum s HIS 61 Cb -0.01 0.20 -0.03 0.00 -0.13 0.00 0.00 32.58 32.61 2cum s HIS 61 CO -0.04 -0.26 0.48 -1.14 -2.47 0.00 0.00 174.74 171.30 2cum s GLN 62 N 0.45 4.04 0.01 2.88 2.00 -1.26 -2.42 119.66 125.36 2cum s GLN 62 Ca -0.02 0.23 -0.17 0.00 -2.00 0.00 0.00 55.36 53.40 2cum s GLN 62 Cb -0.04 -3.66 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 2cum s GLN 62 CO -0.02 -0.34 0.48 -0.51 -0.50 0.00 0.00 175.29 174.40 2cum s LEU 63 N 2.25 4.47 0.39 3.68 1.43 -0.38 -4.99 118.68 125.52 2cum s LEU 63 Ca 0.19 1.06 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2cum s LEU 63 Cb -0.16 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 2cum s LEU 63 CO 0.09 0.26 0.03 -0.76 0.23 0.00 0.00 176.35 176.20 2cum s LEU 64 N -0.84 2.92 -0.59 1.79 2.01 -1.26 -3.07 118.68 119.64 2cum s LEU 64 Ca 0.26 -1.22 -0.03 0.00 0.01 0.00 0.00 54.13 53.15 2cum s LEU 64 Cb -0.18 -1.10 0.00 0.00 0.01 0.00 0.00 46.19 44.93 2cum s LEU 64 CO 0.15 -0.39 0.60 0.61 1.01 0.00 0.00 176.35 178.33 2cum n GLY 65 N -0.99 -1.16 3.31 -3.19 0.00 -1.26 -5.05 105.19 96.85 2cum n GLY 65 Ca -0.04 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.34 2cum n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cum s LEU 66 N -3.45 2.46 0.08 0.99 1.43 -1.26 -5.12 118.68 113.82 2cum s LEU 66 Ca 0.05 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.21 2cum s LEU 66 Cb -0.01 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 2cum s LEU 66 CO 0.66 -0.11 0.32 -0.36 0.23 0.00 0.00 176.35 177.09 2cum s PHE 67 N -2.37 3.53 -0.07 0.29 0.08 -1.26 -4.78 117.98 113.40 2cum s PHE 67 Ca 0.16 0.53 -0.30 0.00 0.12 0.00 0.00 56.93 57.44 2cum s PHE 67 Cb -0.04 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 2cum s PHE 67 CO 0.05 0.53 1.51 -1.25 -0.10 0.00 0.00 175.22 175.96 2cum s PRO 68 N -2.26 4.21 -1.18 0.24 0.04 -1.26 -2.81 135.00 131.99 2cum s PRO 68 Ca 0.35 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.36 2cum s PRO 68 Cb -0.13 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2cum s PRO 68 CO 0.22 -0.76 0.61 0.45 0.04 0.00 0.00 177.00 177.56 2cum n SER 69 N 6.61 -5.25 -4.26 6.66 2.88 0.39 -4.92 113.62 115.73 2cum n SER 69 Ca 0.16 -0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 57.08 2cum n SER 69 Cb 0.43 -4.02 -0.15 0.00 -0.75 0.00 0.00 64.21 59.72 2cum n SER 69 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2cum s THR 70 N -3.10 2.74 0.32 2.46 2.01 -1.12 -4.81 115.64 114.12 2cum s THR 70 Ca 0.30 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2cum s THR 70 Cb -0.13 -2.17 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 2cum s THR 70 CO 0.37 0.50 1.29 -0.55 -0.69 0.00 0.00 174.62 175.55 2cum s SER 71 N 0.94 6.82 -0.00 3.53 0.15 -1.26 -3.53 113.70 120.35 2cum s SER 71 Ca -0.03 2.63 0.03 0.00 0.70 0.00 0.00 55.95 59.28 2cum s SER 71 Cb -0.15 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 2cum s SER 71 CO -0.02 -0.50 -0.09 -0.31 1.20 0.00 0.00 173.24 173.52 2cum s TYR 72 N -1.02 0.80 -0.36 3.44 2.02 -0.59 -4.22 117.35 117.42 2cum s TYR 72 Ca 0.49 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 57.01 2cum s TYR 72 Cb -0.39 -0.51 0.08 0.00 -0.40 0.00 0.00 41.96 40.74 2cum s TYR 72 CO 0.51 -0.01 0.11 1.21 -1.57 0.00 0.00 175.55 175.79 2cum s ASN 73 N -0.26 5.08 0.29 2.29 2.47 -1.08 -2.35 114.94 121.38 2cum s ASN 73 Ca 0.03 -1.68 0.05 0.00 0.42 0.00 0.00 52.86 51.68 2cum s ASN 73 Cb -0.04 -1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 37.97 2cum s ASN 73 CO -0.00 -0.41 0.43 0.00 -3.72 0.00 0.00 177.10 173.40 2cum s ALA 74 N 1.18 4.00 0.01 1.71 0.00 -1.22 -2.37 121.76 125.08 2cum s ALA 74 Ca 0.02 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 2cum s ALA 74 Cb -0.21 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 2cum s ALA 74 CO -0.03 0.09 0.12 1.03 0.00 0.00 0.00 175.76 176.97 2cum s ARG 75 N -4.11 0.51 -0.31 0.00 0.52 -0.78 -2.95 118.95 111.83 2cum s ARG 75 Ca 0.39 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 2cum s ARG 75 Cb -0.09 0.21 0.09 0.00 0.52 0.00 0.00 34.95 35.68 2cum s ARG 75 CO 0.31 -0.12 0.04 -1.17 0.02 0.00 0.00 175.30 174.38 2cum s LEU 76 N -1.61 3.68 -0.17 2.53 2.96 -1.22 -2.87 118.68 121.98 2cum s LEU 76 Ca -0.12 -1.85 0.01 0.00 -0.22 0.00 0.00 54.13 51.95 2cum s LEU 76 Cb -0.06 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.30 2cum s LEU 76 CO -0.00 -0.36 -0.18 -1.58 -1.32 0.00 0.00 176.35 172.90 2cum s GLN 77 N 1.18 3.06 0.12 1.98 0.74 -1.16 -3.70 119.66 121.88 2cum s GLN 77 Ca 0.08 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.73 2cum s GLN 77 Cb -0.18 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 2cum s GLN 77 CO -0.13 -0.14 0.06 0.00 -0.55 0.00 0.00 175.29 174.53 2cum s ALA 78 N 1.16 3.45 -0.23 1.58 0.00 -1.26 -0.18 121.76 126.28 2cum s ALA 78 Ca 0.02 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 2cum s ALA 78 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2cum s ALA 78 CO -0.08 0.63 0.52 -1.64 0.00 0.00 0.00 175.76 175.19 2cum s MET 79 N -2.64 4.12 -0.38 0.00 1.00 -0.62 -3.71 119.30 117.08 2cum s MET 79 Ca 0.29 0.36 0.04 0.00 0.00 0.00 0.00 55.69 56.38 2cum s MET 79 Cb -0.11 -3.61 0.11 0.00 0.00 0.00 0.00 34.83 31.21 2cum s MET 79 CO 0.21 -0.26 0.10 -1.58 0.00 0.00 0.00 175.02 173.49 2cum s TRP 80 N 2.01 3.65 -0.05 -0.03 0.51 0.73 -0.01 118.94 125.74 2cum s TRP 80 Ca 0.22 -3.03 -0.05 0.00 -2.12 0.00 0.00 56.10 51.13 2cum s TRP 80 Cb -0.15 -2.92 0.01 0.00 -0.81 0.00 0.00 33.47 29.59 2cum s TRP 80 CO 0.09 -0.91 0.08 0.41 -0.51 0.00 0.00 176.95 176.11 2cum n GLY 81 N 4.03 0.02 4.21 0.98 0.00 -1.26 -0.74 105.19 112.43 2cum n GLY 81 Ca 0.04 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2cum n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cum n GLN 82 N 0.81 -2.85 -3.75 1.61 6.02 -1.26 -4.93 117.38 113.03 2cum n GLN 82 Ca -0.01 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 2cum n GLN 82 Cb 0.35 -4.86 -0.09 0.00 1.02 0.00 0.00 30.24 26.66 2cum n GLN 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2cum s SER 83 N -3.57 -0.24 -0.65 1.08 0.01 0.08 -5.11 113.70 105.30 2cum s SER 83 Ca 0.56 0.21 0.05 0.00 1.31 0.00 0.00 55.95 58.08 2cum s SER 83 Cb -0.31 0.39 0.17 0.00 0.21 0.00 0.00 66.02 66.48 2cum s SER 83 CO 0.93 -0.40 0.46 -0.76 0.41 0.00 0.00 173.24 173.88 2cum s LEU 84 N -1.07 4.34 0.82 2.44 1.43 -1.26 -0.19 118.68 125.18 2cum s LEU 84 Ca -0.11 -3.70 -0.16 0.00 -1.03 0.00 0.00 54.13 49.13 2cum s LEU 84 Cb -0.05 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 2cum s LEU 84 CO 0.04 -0.10 -0.14 0.18 0.23 0.00 0.00 176.35 176.55 2cum n LEU 85 N 2.16 -2.94 -4.60 1.79 4.77 -1.24 -4.79 117.00 112.14 2cum n LEU 85 Ca 0.20 0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 56.15 2cum n LEU 85 Cb 0.36 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2cum n LEU 85 CO 0.25 -4.69 1.45 -2.16 -1.33 0.00 0.00 177.39 170.91 2cum s PRO 86 N -2.25 3.44 1.18 3.23 0.04 -1.26 -4.67 135.00 134.71 2cum s PRO 86 Ca 0.52 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2cum s PRO 86 Cb -0.29 -4.14 0.29 0.00 0.04 0.00 0.00 34.50 30.40 2cum s PRO 86 CO 0.71 -1.73 1.05 -0.35 0.04 0.00 0.00 177.00 176.72 2cum n PRO 87 N 8.28 -3.07 -4.33 0.56 -0.04 -1.26 -4.72 135.00 130.42 2cum n PRO 87 Ca 0.21 -1.67 -0.26 0.00 -0.04 0.00 0.00 63.50 61.73 2cum n PRO 87 Cb 0.47 -1.57 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2cum n PRO 87 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cum s VAL 88 N -2.89 1.18 -0.13 0.52 -7.23 -1.24 -4.94 120.40 105.67 2cum s VAL 88 Ca 0.68 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 60.29 2cum s VAL 88 Cb -0.07 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2cum s VAL 88 CO 0.52 0.38 0.20 -0.94 -0.31 0.00 0.00 175.10 174.95 2cum s SER 89 N 1.08 6.41 -0.04 4.85 1.04 -1.26 -3.45 113.70 122.33 2cum s SER 89 Ca -0.06 0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 2cum s SER 89 Cb -0.14 -2.12 0.03 0.00 0.10 0.00 0.00 66.02 63.88 2cum s SER 89 CO -0.02 0.28 0.02 0.28 0.98 0.00 0.00 173.24 174.78 2cum s THR 90 N -0.39 0.12 -0.08 2.02 -1.32 -1.15 -5.03 115.64 109.81 2cum s THR 90 Ca 0.15 0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.60 2cum s THR 90 Cb -0.13 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 2cum s THR 90 CO 0.04 0.16 0.57 -0.94 -2.21 0.00 0.00 174.62 172.24 2cum s SER 91 N 1.41 6.83 -0.01 8.08 1.04 -1.26 -3.40 113.70 126.38 2cum s SER 91 Ca -0.04 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2cum s SER 91 Cb -0.13 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.66 2cum s SER 91 CO -0.03 -0.02 0.00 0.72 0.98 0.00 0.00 173.24 174.90 2cum s PHE 92 N 0.53 0.09 -0.13 5.02 -0.71 -0.99 -4.94 117.98 116.84 2cum s PHE 92 Ca 0.30 0.02 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 2cum s PHE 92 Cb -0.16 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2cum s PHE 92 CO 0.14 -0.04 0.04 0.99 -1.34 0.00 0.00 175.22 175.02 2cum s THR 93 N 0.36 4.67 0.63 -4.49 2.01 -1.26 -1.54 115.64 116.01 2cum s THR 93 Ca -0.03 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2cum s THR 93 Cb -0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 2cum s THR 93 CO -0.01 0.54 1.00 0.42 -0.69 0.00 0.00 174.62 175.88 2cum s THR 94 N -0.32 4.07 0.00 -0.82 -4.23 -1.23 -4.90 115.64 108.20 2cum s THR 94 Ca 0.08 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2cum s THR 94 Cb -0.12 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2cum s THR 94 CO 0.02 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 2cum n GLY 95 N -2.75 0.02 3.15 3.99 0.00 -1.26 -3.15 105.19 105.19 2cum n GLY 95 Ca 0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 2cum n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cum s GLY 96 N 0.00 0.07 -0.08 -0.02 0.00 -1.26 0.15 107.32 106.18 2cum s GLY 96 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 2cum s GLY 96 CO 0.00 -0.50 3.09 1.04 0.00 0.00 0.00 173.10 176.73 2cum n LEU 97 N 0.79 5.51 -3.64 0.66 4.77 -1.26 -4.70 117.00 119.12 2cum n LEU 97 Ca -0.19 -3.16 -0.02 0.00 -0.03 0.00 0.00 56.01 52.61 2cum n LEU 97 Cb 0.58 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 2cum n LEU 97 CO 0.22 1.54 0.28 -0.60 -1.33 0.00 0.00 177.39 177.50 2cum s ARG 98 N 0.25 0.59 0.08 3.23 6.06 -1.26 -5.14 118.95 122.76 2cum s ARG 98 Ca 0.50 1.42 -0.31 0.00 -2.50 0.00 0.00 55.73 54.84 2cum s ARG 98 Cb 0.26 0.77 -0.06 0.00 0.06 0.00 0.00 34.95 35.98 2cum s ARG 98 CO -0.03 -0.19 1.24 0.42 -2.50 0.00 0.00 175.30 174.23 2cum s ILE 99 N 2.71 3.85 -1.13 4.11 1.09 -1.26 -4.92 121.20 125.64 2cum s ILE 99 Ca -0.07 1.34 -0.07 0.00 -1.10 0.00 0.00 60.65 60.75 2cum s ILE 99 Cb -0.11 -3.86 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 2cum s ILE 99 CO -0.19 0.11 2.86 -1.20 -0.10 0.00 0.00 174.94 176.42 2cum n SER 100 N 3.83 7.72 -1.46 3.58 7.64 -1.26 -4.93 113.62 128.74 2cum n SER 100 Ca 0.09 -2.82 0.12 0.00 1.01 0.00 0.00 58.87 57.27 2cum n SER 100 Cb 0.45 -1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.15 2cum n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cum n GLY 101 N 2.47 -3.60 3.63 0.23 0.00 -1.26 -4.69 105.19 101.97 2cum n GLY 101 Ca 0.64 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2cum n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cum s PRO 102 N -4.63 3.75 0.15 1.61 0.04 -1.26 -4.97 135.00 129.68 2cum s PRO 102 Ca 0.00 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2cum s PRO 102 Cb 0.00 -4.05 -0.08 0.00 0.04 0.00 0.00 34.50 30.41 2cum s PRO 102 CO 0.00 -1.35 1.31 -1.12 0.04 0.00 0.00 177.00 175.88 2cum s SER 103 N 4.37 6.92 -0.01 6.66 0.01 -1.26 -5.03 113.70 125.36 2cum s SER 103 Ca 0.72 2.30 -0.03 0.00 1.31 0.00 0.00 55.95 60.24 2cum s SER 103 Cb -0.24 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2cum s SER 103 CO 0.30 -0.55 0.07 -0.55 0.41 0.00 0.00 173.24 172.92 2cum s SER 104 N 0.70 0.00 0.00 2.44 0.15 -1.26 -5.27 113.70 110.46 2cum s SER 104 Ca 0.59 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2cum s SER 104 Cb -0.35 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2cum s SER 104 CO 0.34 -0.16 0.29 0.61 1.20 0.00 0.00 173.24 175.52