#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs h PRO 2 N 0.00 0.89 -6.36 0.03 0.13 -2.08 -3.40 132.00 121.20 2kfs h PRO 2 Ca 0.00 -0.31 -0.57 0.00 -0.87 0.00 0.00 66.00 64.25 2kfs h PRO 2 Cb 0.00 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 30.98 2kfs h PRO 2 CO 0.00 0.96 0.87 0.20 -0.23 0.00 0.00 178.00 179.79 2kfs s GLY 3 N -3.50 1.20 0.29 1.56 0.00 -1.26 -4.99 107.32 100.61 2kfs s GLY 3 Ca -0.12 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 2kfs s GLY 3 CO 0.83 2.39 1.29 -1.60 0.00 0.00 0.00 173.10 176.01 2kfs s ARG 4 N 4.72 4.39 -0.40 2.90 3.52 -1.26 -4.99 118.95 127.83 2kfs s ARG 4 Ca 0.39 2.14 -0.20 0.00 -0.13 0.00 0.00 55.73 57.93 2kfs s ARG 4 Cb -0.09 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2kfs s ARG 4 CO 0.23 -0.17 0.60 0.00 -0.81 0.00 0.00 175.30 175.15 2kfs s ALA 5 N -0.78 3.40 1.00 6.12 0.00 -1.26 -5.06 121.76 125.19 2kfs s ALA 5 Ca 0.51 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2kfs s ALA 5 Cb -0.38 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2kfs s ALA 5 CO 0.47 -1.56 0.00 -2.30 0.00 0.00 0.00 175.76 172.37 2kfs n PRO 6 N 6.06 0.74 -0.02 0.00 -0.02 -1.26 -5.05 135.00 135.44 2kfs n PRO 6 Ca -0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2kfs n PRO 6 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2kfs n PRO 6 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2kfs h GLY 7 N -0.01 0.00 -7.46 -1.23 0.00 -2.05 -3.40 103.07 88.92 2kfs h GLY 7 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.58 2kfs h GLY 7 CO 0.00 0.00 1.42 -1.14 0.00 0.00 0.00 176.54 176.82 2kfs n SER 8 N -3.17 5.24 -3.63 0.19 3.41 -1.26 -4.84 113.62 109.57 2kfs n SER 8 Ca -0.01 -3.02 -0.16 0.00 -0.26 0.00 0.00 58.87 55.43 2kfs n SER 8 Cb 0.03 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.37 2kfs n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kfs s THR 9 N 1.08 0.02 0.34 6.66 2.01 -1.26 -5.18 115.64 119.31 2kfs s THR 9 Ca 0.41 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.31 2kfs s THR 9 Cb -0.01 -0.83 -0.07 0.00 0.01 0.00 0.00 72.50 71.61 2kfs s THR 9 CO 0.00 -0.10 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.05 2kfs s LEU 10 N -1.05 2.58 -1.08 4.42 1.43 -1.26 -4.93 118.68 118.79 2kfs s LEU 10 Ca -0.11 -1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 51.51 2kfs s LEU 10 Cb -0.02 -0.73 0.07 0.00 0.03 0.00 0.00 46.19 45.54 2kfs s LEU 10 CO 0.07 -0.39 1.48 0.00 0.23 0.00 0.00 176.35 177.73 2kfs s ALA 11 N -2.91 3.00 -0.68 4.21 0.00 -1.26 -4.92 121.76 119.20 2kfs s ALA 11 Ca 0.33 -2.53 -0.27 0.00 0.00 0.00 0.00 51.96 49.49 2kfs s ALA 11 Cb 0.06 -4.48 0.01 0.00 0.00 0.00 0.00 23.12 18.71 2kfs s ALA 11 CO 0.15 -3.42 1.51 -0.98 0.00 0.00 0.00 175.76 173.02 2kfs s ARG 12 N 4.35 2.98 -1.11 0.00 1.70 -1.26 -4.93 118.95 120.68 2kfs s ARG 12 Ca 0.46 0.13 -0.14 0.00 -0.47 0.00 0.00 55.73 55.70 2kfs s ARG 12 Cb 0.00 -4.26 0.18 0.00 -0.57 0.00 0.00 34.95 30.30 2kfs s ARG 12 CO -0.05 -2.37 1.28 0.08 -1.08 0.00 0.00 175.30 173.17 2kfs s VAL 13 N 7.06 5.10 -0.81 4.99 1.01 -1.26 -4.80 120.40 131.69 2kfs s VAL 13 Ca 0.48 -2.45 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 2kfs s VAL 13 Cb -0.10 -4.82 0.13 0.00 0.00 0.00 0.00 36.38 31.59 2kfs s VAL 13 CO 0.18 -1.51 2.51 0.61 0.00 0.00 0.00 175.10 176.89 2kfs n GLY 14 N 4.29 4.87 3.17 4.51 0.00 -1.26 -4.87 105.19 115.90 2kfs n GLY 14 Ca 0.31 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 15 N 0.10 0.10 -0.20 1.61 0.15 -1.25 -3.38 113.70 110.83 2kfs s SER 15 Ca 0.55 -0.48 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 2kfs s SER 15 Cb 0.31 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 2kfs s SER 15 CO -0.19 -0.58 -0.01 -0.63 1.20 0.00 0.00 173.24 173.03 2kfs s ILE 16 N -2.86 3.92 1.05 6.45 1.09 -1.26 -5.04 121.20 124.55 2kfs s ILE 16 Ca -0.03 -0.33 -0.12 0.00 -1.10 0.00 0.00 60.65 59.08 2kfs s ILE 16 Cb 0.00 -2.77 0.22 0.00 -1.06 0.00 0.00 42.46 38.86 2kfs s ILE 16 CO -0.06 0.44 1.07 -2.84 -0.10 0.00 0.00 174.94 173.45 2kfs s PRO 17 N 0.95 -0.02 -0.12 2.79 0.02 -1.26 -4.79 135.00 132.57 2kfs s PRO 17 Ca 0.01 1.01 -0.27 0.00 0.02 0.00 0.00 61.00 61.77 2kfs s PRO 17 Cb -0.14 -1.65 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 2kfs s PRO 17 CO 0.02 -3.17 0.90 0.00 -0.33 0.00 0.00 177.00 174.42 2kfs s ALA 18 N -2.61 3.42 0.00 -1.55 0.00 -1.26 -4.66 121.76 115.11 2kfs s ALA 18 Ca 0.67 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2kfs s ALA 18 Cb -0.23 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2kfs s ALA 18 CO 0.61 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2kfs n GLY 19 N 3.23 1.76 3.62 0.00 0.00 -1.26 -4.66 105.19 107.88 2kfs n GLY 19 Ca 0.06 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -0.38 5.91 0.18 1.61 2.15 -1.26 -2.35 116.67 122.52 2kfs s ASP 20 Ca 0.00 0.05 -0.31 0.00 0.43 0.00 0.00 52.55 52.72 2kfs s ASP 20 Cb 0.00 -2.06 -0.10 0.00 -0.30 0.00 0.00 42.92 40.46 2kfs s ASP 20 CO 0.00 0.05 1.54 1.51 -0.17 0.00 0.00 175.17 178.10 2kfs s ASP 21 N 1.13 6.61 -0.28 -0.34 -4.77 -1.20 -4.54 116.67 113.28 2kfs s ASP 21 Ca 0.07 2.61 0.10 0.00 -3.30 0.00 0.00 52.55 52.03 2kfs s ASP 21 Cb -0.14 -2.60 0.53 0.00 -1.09 0.00 0.00 42.92 39.62 2kfs s ASP 21 CO 0.05 -0.80 1.49 0.52 0.70 0.00 0.00 175.17 177.13 2kfs n VAL 22 N 3.71 2.54 -4.56 2.11 0.31 -1.26 -4.97 118.33 116.21 2kfs n VAL 22 Ca 0.13 -2.47 -0.29 0.00 -0.01 0.00 0.00 64.34 61.70 2kfs n VAL 22 Cb 0.39 -0.32 -0.09 0.00 -0.91 0.00 0.00 33.84 32.91 2kfs n VAL 22 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kfs s LEU 23 N -3.15 2.73 0.07 7.52 0.05 -1.26 -4.85 118.68 119.78 2kfs s LEU 23 Ca 0.45 -1.41 -0.23 0.00 0.05 0.00 0.00 54.13 52.99 2kfs s LEU 23 Cb 0.40 -0.94 -0.06 0.00 -2.05 0.00 0.00 46.19 43.54 2kfs s LEU 23 CO 0.03 -0.62 0.69 -0.62 -0.55 0.00 0.00 176.35 175.28 2kfs s ASP 24 N -3.81 7.17 0.64 1.48 -1.08 -1.26 -4.96 116.67 114.85 2kfs s ASP 24 Ca 0.27 1.39 0.26 0.00 -0.52 0.00 0.00 52.55 53.95 2kfs s ASP 24 Cb 0.06 -2.43 1.35 0.00 -1.46 0.00 0.00 42.92 40.45 2kfs s ASP 24 CO 0.14 0.14 1.77 -0.65 0.52 0.00 0.00 175.17 177.09 2kfs h PRO 25 N 5.11 0.00 -0.02 4.34 0.11 -1.99 0.43 132.00 139.98 2kfs h PRO 25 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kfs h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.68 0.00 -0.09 -0.25 -0.21 0.00 0.00 178.00 178.12 2kfs n ASP 26 N -3.10 1.75 -4.76 -2.05 8.00 -1.26 -4.92 116.55 110.21 2kfs n ASP 26 Ca 0.02 -1.47 -0.35 0.00 0.71 0.00 0.00 54.79 53.70 2kfs n ASP 26 Cb 0.59 0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.80 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfs s GLU 27 N -2.15 2.95 -0.16 -1.24 0.41 0.14 -4.90 118.70 113.75 2kfs s GLU 27 Ca 0.31 1.64 -0.35 0.00 -0.41 0.00 0.00 54.97 56.16 2kfs s GLU 27 Cb 0.20 -1.95 -0.12 0.00 -1.78 0.00 0.00 34.13 30.48 2kfs s GLU 27 CO 0.39 -1.18 1.89 -0.35 -0.49 0.00 0.00 175.26 175.51 2kfs n PRO 28 N -1.84 1.86 -4.19 0.39 -0.04 -1.26 -4.96 135.00 124.96 2kfs n PRO 28 Ca 0.12 0.67 -0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2kfs n PRO 28 Cb 0.51 -2.53 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 2kfs n PRO 28 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kfs s THR 29 N 4.34 0.58 0.20 0.52 2.01 -1.26 -1.74 115.64 120.30 2kfs s THR 29 Ca 0.96 -1.94 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2kfs s THR 29 Cb -0.78 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2kfs s THR 29 CO 0.54 -0.70 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.32 2kfs s TYR 30 N -3.71 1.70 0.10 4.92 2.02 0.95 -4.61 117.35 118.72 2kfs s TYR 30 Ca 0.17 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2kfs s TYR 30 Cb 0.06 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 2kfs s TYR 30 CO -0.01 0.35 -0.08 0.34 -1.57 0.00 0.00 175.55 174.57 2kfs s ASP 31 N -3.31 1.26 0.18 2.29 -1.08 -1.26 -0.32 116.67 114.42 2kfs s ASP 31 Ca 0.22 -0.92 -0.22 0.00 -0.52 0.00 0.00 52.55 51.12 2kfs s ASP 31 Cb -0.01 0.06 0.10 0.00 -1.46 0.00 0.00 42.92 41.61 2kfs s ASP 31 CO 0.07 -0.38 1.59 -0.07 0.52 0.00 0.00 175.17 176.90 2kfs h LEU 32 N 3.23 -1.12 -1.09 -1.34 3.38 -1.97 0.85 115.31 117.25 2kfs h LEU 32 Ca -0.36 0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2kfs h LEU 32 Cb 1.18 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 42.42 2kfs h LEU 32 CO 0.59 -0.31 0.62 1.55 0.09 0.00 0.00 178.44 180.98 2kfs h PRO 33 N -0.20 1.11 -0.15 1.13 0.13 -1.98 -1.22 132.00 130.83 2kfs h PRO 33 Ca 0.21 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 2kfs h PRO 33 Cb 0.54 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 2kfs h PRO 33 CO -0.62 0.74 -0.54 -0.09 -0.23 0.00 0.00 178.00 177.26 2kfs h ARG 34 N 1.15 0.43 -0.33 0.86 9.65 -1.41 -1.59 114.38 123.13 2kfs h ARG 34 Ca 0.39 -0.26 -0.12 0.00 -1.10 0.00 0.00 59.98 58.89 2kfs h ARG 34 Cb 0.08 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2kfs h ARG 34 CO -0.13 0.86 -0.24 0.28 2.80 0.00 0.00 179.97 183.53 2kfs h VAL 35 N 0.33 1.29 -0.78 0.20 2.07 -0.35 0.17 116.25 119.18 2kfs h VAL 35 Ca 0.01 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2kfs h VAL 35 Cb 1.05 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2kfs h VAL 35 CO 0.09 0.45 0.49 0.00 0.02 0.00 0.00 177.57 178.62 2kfs h ALA 36 N 0.75 1.40 -0.18 1.67 0.00 -1.12 -0.50 119.26 121.27 2kfs h ALA 36 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kfs h ALA 36 Cb 0.80 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kfs h ALA 36 CO 0.06 0.54 -0.10 1.49 0.00 0.00 0.00 179.25 181.24 2kfs h GLU 37 N 1.06 0.40 0.00 0.00 4.81 -0.98 -0.46 114.58 119.42 2kfs h GLU 37 Ca 0.28 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kfs h GLU 37 Cb -0.08 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2kfs h GLU 37 CO -0.06 0.71 -0.00 1.25 -0.73 0.00 0.00 179.01 180.18 2kfs h LEU 38 N 0.08 -0.01 0.00 1.64 5.85 -0.11 -3.13 115.31 119.63 2kfs h LEU 38 Ca 0.04 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kfs h LEU 38 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kfs h LEU 38 CO 0.03 0.21 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.71 2kfs h LEU 39 N -0.22 0.00 0.38 2.25 3.38 -1.20 -3.47 115.31 116.42 2kfs h LEU 39 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2kfs h LEU 39 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kfs h LEU 39 CO 0.00 0.03 -0.08 0.61 0.09 0.00 0.00 178.44 179.09 2kfs n GLY 40 N 1.21 0.39 3.43 0.83 0.00 -0.26 -5.04 105.19 105.74 2kfs n GLY 40 Ca 0.02 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2kfs n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfs s VAL 41 N -2.16 2.26 0.68 1.61 -7.23 -0.71 -5.02 120.40 109.83 2kfs s VAL 41 Ca 0.00 -2.33 -0.13 0.00 -1.81 0.00 0.00 61.98 57.72 2kfs s VAL 41 Cb 0.00 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2kfs s VAL 41 CO 0.00 -0.44 1.07 -2.16 -0.31 0.00 0.00 175.10 173.27 2kfs s PRO 42 N -3.49 2.84 0.44 4.82 0.04 -1.26 -4.27 135.00 134.12 2kfs s PRO 42 Ca 0.27 1.13 0.12 0.00 0.04 0.00 0.00 61.00 62.57 2kfs s PRO 42 Cb -0.04 -1.97 1.03 0.00 0.04 0.00 0.00 34.50 33.56 2kfs s PRO 42 CO 0.12 -1.19 2.04 0.28 0.04 0.00 0.00 177.00 178.29 2kfs h VAL 43 N -0.42 0.98 -0.77 -0.36 2.07 -1.93 -1.09 116.25 114.72 2kfs h VAL 43 Ca -0.45 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2kfs h VAL 43 Cb 1.22 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2kfs h VAL 43 CO 0.55 0.07 0.47 -1.28 0.02 0.00 0.00 177.57 177.40 2kfs h SER 44 N 0.37 0.75 0.09 0.57 0.87 -1.99 0.87 113.55 115.09 2kfs h SER 44 Ca 0.19 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 2kfs h SER 44 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2kfs h SER 44 CO -0.04 0.50 -0.42 0.50 -0.53 0.00 0.00 176.83 176.83 2kfs h LYS 45 N 0.89 0.42 -0.41 2.24 3.64 -1.58 -1.13 116.57 120.64 2kfs h LYS 45 Ca 0.33 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2kfs h LYS 45 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kfs h LYS 45 CO -0.15 0.77 0.17 0.28 -2.27 0.00 0.00 179.45 178.25 2kfs h VAL 46 N 0.34 1.19 -0.65 2.00 2.07 -0.95 -1.80 116.25 118.46 2kfs h VAL 46 Ca 0.03 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 46 Cb 0.89 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2kfs h VAL 46 CO 0.07 0.21 0.31 0.00 0.02 0.00 0.00 177.57 178.19 2kfs h ALA 47 N 1.02 1.33 -0.82 1.67 0.00 -0.54 -2.19 119.26 119.73 2kfs h ALA 47 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 47 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2kfs h ALA 47 CO -0.01 0.52 0.36 1.96 0.00 0.00 0.00 179.25 182.08 2kfs h GLN 48 N 0.91 1.21 -0.59 0.00 1.08 -0.72 0.43 115.11 117.44 2kfs h GLN 48 Ca 0.23 -0.20 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2kfs h GLN 48 Cb 0.09 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2kfs h GLN 48 CO -0.03 0.95 0.38 1.96 -0.95 0.00 0.00 178.83 181.15 2kfs h GLN 49 N 1.18 0.76 -0.53 1.46 1.08 -0.73 0.01 115.11 118.34 2kfs h GLN 49 Ca 0.28 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2kfs h GLN 49 Cb 0.17 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2kfs h GLN 49 CO -0.03 0.50 0.26 1.25 -0.95 0.00 0.00 178.83 179.86 2kfs h LEU 50 N 0.78 0.68 -1.97 1.46 5.85 -1.02 0.02 115.31 121.10 2kfs h LEU 50 Ca 0.22 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2kfs h LEU 50 Cb -0.07 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2kfs h LEU 50 CO -0.06 0.61 -0.05 0.03 -0.34 0.00 0.00 178.44 178.64 2kfs h ARG 51 N 0.70 0.00 -0.01 1.25 2.47 0.03 -2.35 114.38 116.47 2kfs h ARG 51 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2kfs h ARG 51 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2kfs h ARG 51 CO -0.02 0.05 -0.75 0.39 0.56 0.00 0.00 179.97 180.20 2kfs n GLU 52 N -3.26 0.48 -2.50 0.04 1.02 -0.10 -3.80 120.64 112.51 2kfs n GLU 52 Ca -0.01 -0.39 -0.02 0.00 -0.02 0.00 0.00 57.16 56.72 2kfs n GLU 52 Cb 0.23 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.46 0.70 0.05 0.62 0.00 -0.72 -4.87 105.19 102.44 2kfs n GLY 53 Ca 0.06 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2kfs n GLY 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfs n HIS 54 N -3.00 0.00 -3.61 1.61 -0.00 -0.09 -4.59 115.22 105.54 2kfs n HIS 54 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2kfs n HIS 54 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kfs s LEU 55 N -2.30 0.09 0.05 0.27 2.96 -1.16 -4.59 118.68 113.99 2kfs s LEU 55 Ca 0.05 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 2kfs s LEU 55 Cb 0.08 1.99 -0.02 0.00 0.50 0.00 0.00 46.19 48.73 2kfs s LEU 55 CO 0.38 -0.68 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.90 2kfs s VAL 56 N -2.31 1.11 0.11 1.68 1.01 -1.26 -3.98 120.40 116.76 2kfs s VAL 56 Ca -0.06 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 60.94 2kfs s VAL 56 Cb -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2kfs s VAL 56 CO -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 175.10 174.86 2kfs s ALA 57 N -0.93 1.74 0.25 5.51 0.00 -1.26 -4.37 121.76 122.69 2kfs s ALA 57 Ca 0.01 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2kfs s ALA 57 Cb -0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2kfs s ALA 57 CO 0.01 0.30 -0.00 0.14 0.00 0.00 0.00 175.76 176.21 2kfs s VAL 58 N -1.39 1.15 -0.22 0.00 -7.23 0.13 -4.06 120.40 108.79 2kfs s VAL 58 Ca 0.07 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2kfs s VAL 58 Cb -0.09 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2kfs s VAL 58 CO 0.04 -0.28 -0.02 -0.60 -0.31 0.00 0.00 175.10 173.94 2kfs s ARG 59 N -3.84 3.48 -0.25 4.82 3.52 -0.99 -0.80 118.95 124.89 2kfs s ARG 59 Ca 0.30 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2kfs s ARG 59 Cb 0.06 -3.06 0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2kfs s ARG 59 CO 0.10 -0.13 -0.09 -0.98 -0.81 0.00 0.00 175.30 173.39 2kfs s ARG 60 N 1.35 2.64 0.00 5.12 1.70 0.26 -3.24 118.95 126.79 2kfs s ARG 60 Ca 0.04 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 2kfs s ARG 60 Cb -0.14 -2.93 0.00 0.00 -0.57 0.00 0.00 34.95 31.31 2kfs s ARG 60 CO -0.01 -0.45 0.00 0.00 -1.08 0.00 0.00 175.30 173.77 2kfs n ALA 61 N 4.59 0.00 -0.60 7.88 0.00 -1.26 -1.18 120.51 129.94 2kfs n ALA 61 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kfs n ALA 61 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2kfs n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfs n GLY 62 N 0.00 0.30 3.68 0.00 0.00 -1.26 -5.14 105.19 102.77 2kfs n GLY 62 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N 0.00 1.91 -0.27 -0.02 0.00 -0.33 -5.08 107.32 103.53 2kfs s GLY 63 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.48 2kfs s GLY 63 CO 0.00 -1.07 0.29 0.14 0.00 0.00 0.00 173.10 172.46 2kfs s VAL 64 N -1.28 5.24 0.24 1.40 1.01 -1.26 -0.57 120.40 125.18 2kfs s VAL 64 Ca 0.25 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2kfs s VAL 64 Cb -0.12 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 64 CO 0.17 0.21 0.14 0.68 0.00 0.00 0.00 175.10 176.31 2kfs s VAL 65 N 1.84 0.15 0.03 2.92 -7.23 0.02 -4.51 120.40 113.62 2kfs s VAL 65 Ca 0.12 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 2kfs s VAL 65 Cb -0.16 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2kfs s VAL 65 CO 0.10 0.00 -0.17 0.27 -0.31 0.00 0.00 175.10 174.99 2kfs s ILE 66 N -3.93 1.33 -0.11 -0.62 -4.36 0.56 0.17 121.20 114.25 2kfs s ILE 66 Ca 0.39 -0.99 -0.29 0.00 -0.26 0.00 0.00 60.65 59.49 2kfs s ILE 66 Cb 0.06 -1.16 -0.05 0.00 1.25 0.00 0.00 42.46 42.56 2kfs s ILE 66 CO 0.15 0.16 1.66 -2.84 0.24 0.00 0.00 174.94 174.30 2kfs s PRO 67 N -0.97 4.04 0.57 0.37 0.02 -1.26 -0.04 135.00 137.74 2kfs s PRO 67 Ca 0.05 2.04 0.30 0.00 0.02 0.00 0.00 61.00 63.40 2kfs s PRO 67 Cb -0.08 -4.01 1.74 0.00 0.02 0.00 0.00 34.50 32.18 2kfs s PRO 67 CO 0.01 -1.01 2.21 0.37 -0.33 0.00 0.00 177.00 178.25 2kfs h GLN 68 N 10.02 0.00 0.00 5.54 4.15 -1.59 -1.84 115.11 131.39 2kfs h GLN 68 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 2kfs h GLN 68 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2kfs h GLN 68 CO 0.97 0.04 0.00 1.33 -1.93 0.00 0.00 178.83 179.23 2kfs n VAL 69 N -3.75 1.59 1.24 2.39 0.24 -1.25 -0.67 118.33 118.11 2kfs n VAL 69 Ca -0.03 0.40 0.14 0.00 -2.04 0.00 0.00 64.34 62.81 2kfs n VAL 69 Cb 0.13 -1.31 0.68 0.00 -1.47 0.00 0.00 33.84 31.87 2kfs n VAL 69 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2kfs n PHE 70 N -1.49 0.00 -4.39 6.34 3.01 -0.69 -4.74 117.46 115.49 2kfs n PHE 70 Ca 0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.23 2kfs n PHE 70 Cb 0.06 -0.34 -0.09 0.00 -0.01 0.00 0.00 39.48 39.10 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2kfs s PHE 71 N -2.68 2.48 0.57 1.38 0.40 0.16 -1.49 117.98 118.80 2kfs s PHE 71 Ca 0.23 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2kfs s PHE 71 Cb 0.19 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.57 2kfs s PHE 71 CO 0.45 0.63 0.83 0.95 0.70 0.00 0.00 175.22 178.78 2kfs s THR 72 N -2.46 2.97 -0.02 0.64 -4.23 0.14 -4.79 115.64 107.88 2kfs s THR 72 Ca 0.32 -0.45 0.31 0.00 -1.18 0.00 0.00 61.69 60.68 2kfs s THR 72 Cb -0.04 -3.15 0.33 0.00 1.34 0.00 0.00 72.50 70.98 2kfs s THR 72 CO 0.18 -0.13 1.92 0.78 -0.54 0.00 0.00 174.62 176.83 2kfs h ASN 73 N -0.05 0.00 0.90 3.99 2.35 -1.92 -1.04 115.58 119.82 2kfs h ASN 73 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2kfs h ASN 73 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2kfs h ASN 73 CO 0.56 0.00 -0.00 -1.20 -1.65 0.00 0.00 177.43 175.14 2kfs n SER 74 N -2.69 0.01 0.00 5.81 7.64 -1.26 -4.89 113.62 118.24 2kfs n SER 74 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2kfs n SER 74 Cb 0.19 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfs n GLY 75 N 1.45 0.79 3.86 0.23 0.00 -0.39 -5.05 105.19 106.08 2kfs n GLY 75 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2kfs n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfs s GLN 76 N -0.58 3.63 0.56 1.61 0.74 -1.26 -4.87 119.66 119.49 2kfs s GLN 76 Ca 0.00 0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.31 2kfs s GLN 76 Cb 0.00 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 2kfs s GLN 76 CO 0.00 0.74 1.08 0.54 -0.55 0.00 0.00 175.29 177.10 2kfs s VAL 77 N -1.06 3.55 0.11 1.34 0.11 -1.26 0.25 120.40 123.44 2kfs s VAL 77 Ca 0.19 0.85 -0.31 0.00 -2.93 0.00 0.00 61.98 59.77 2kfs s VAL 77 Cb -0.14 -3.33 -0.09 0.00 -1.53 0.00 0.00 36.38 31.29 2kfs s VAL 77 CO 0.08 -0.33 1.67 -0.69 -3.33 0.00 0.00 175.10 172.51 2kfs s VAL 78 N -2.15 2.78 0.32 2.04 1.01 -0.55 -4.73 120.40 119.13 2kfs s VAL 78 Ca 0.67 0.36 0.04 0.00 0.00 0.00 0.00 61.98 63.06 2kfs s VAL 78 Cb -0.19 -3.23 0.13 0.00 0.00 0.00 0.00 36.38 33.09 2kfs s VAL 78 CO 0.31 0.01 1.83 0.07 0.00 0.00 0.00 175.10 177.31 2kfs h LYS 79 N 7.93 0.47 -0.37 2.72 2.10 -1.91 -2.35 116.57 125.17 2kfs h LYS 79 Ca -0.43 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2kfs h LYS 79 Cb 1.21 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2kfs h LYS 79 CO 0.93 0.58 0.00 0.45 -2.00 0.00 0.00 179.45 179.41 2kfs n SER 80 N -4.22 2.27 0.20 7.07 2.88 -1.26 -4.40 113.62 116.16 2kfs n SER 80 Ca 0.01 -1.92 -0.15 0.00 -1.33 0.00 0.00 58.87 55.47 2kfs n SER 80 Cb 0.30 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 2.65 -0.52 -2.14 2.46 5.85 -1.80 -2.14 115.31 119.67 2kfs h LEU 81 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kfs h LEU 81 Cb 0.60 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2kfs h LEU 81 CO 0.00 -0.33 -0.07 1.55 -0.34 0.00 0.00 178.44 179.25 2kfs h PRO 82 N -0.52 0.00 -0.26 5.25 0.13 -1.81 -2.63 132.00 132.17 2kfs h PRO 82 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 2kfs h PRO 82 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2kfs h PRO 82 CO 0.03 0.07 -0.09 0.78 -0.23 0.00 0.00 178.00 178.56 2kfs h GLY 83 N 0.48 0.56 1.15 1.56 0.00 -1.68 0.15 103.07 105.29 2kfs h GLY 83 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 2kfs h GLY 83 CO 0.01 0.44 -0.14 0.17 0.00 0.00 0.00 176.54 177.02 2kfs h LEU 84 N 0.26 1.00 -0.75 3.11 8.10 -1.16 -2.55 115.31 123.32 2kfs h LEU 84 Ca 0.06 -0.34 -0.06 0.00 0.11 0.00 0.00 57.88 57.65 2kfs h LEU 84 Cb 0.57 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.49 2kfs h LEU 84 CO 0.03 1.13 0.23 -0.07 -4.11 0.00 0.00 178.44 175.65 2kfs h LEU 85 N 0.88 1.09 -0.23 0.17 3.38 -1.31 -2.24 115.31 117.05 2kfs h LEU 85 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kfs h LEU 85 Cb 0.70 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2kfs h LEU 85 CO 0.05 1.01 0.11 0.74 0.09 0.00 0.00 178.44 180.45 2kfs h THR 86 N 1.11 1.14 -0.31 0.22 2.02 -0.40 0.49 112.91 117.17 2kfs h THR 86 Ca 0.24 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2kfs h THR 86 Cb 0.31 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2kfs h THR 86 CO -0.01 0.13 -0.12 -0.29 0.37 0.00 0.00 175.52 175.61 2kfs h ILE 87 N 0.24 1.29 -0.33 3.11 -0.00 -1.38 -1.34 117.51 119.10 2kfs h ILE 87 Ca 0.08 -1.20 -0.09 0.00 -0.00 0.00 0.00 64.86 63.64 2kfs h ILE 87 Cb 0.11 1.41 -0.02 0.00 -0.00 0.00 0.00 36.82 38.33 2kfs h ILE 87 CO -0.01 0.39 -0.19 -0.07 -0.00 0.00 0.00 178.15 178.27 2kfs h LEU 88 N 0.40 0.61 -1.25 2.19 -0.00 -1.34 -2.14 115.31 113.77 2kfs h LEU 88 Ca 0.07 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.70 2kfs h LEU 88 Cb 0.63 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2kfs h LEU 88 CO 0.04 0.81 -0.13 -0.74 -0.00 0.00 0.00 178.44 178.42 2kfs h HIS 89 N 0.55 0.38 -0.06 1.13 2.76 -0.74 -0.70 115.15 118.47 2kfs h HIS 89 Ca 0.09 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2kfs h HIS 89 Cb 0.63 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 2kfs h HIS 89 CO 0.03 0.48 -0.39 0.22 -1.30 0.00 0.00 177.93 176.97 2kfs h ASP 90 N 0.34 0.13 0.66 3.26 3.58 -0.68 -2.48 116.42 121.23 2kfs h ASP 90 Ca 0.07 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kfs h ASP 90 Cb 0.43 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2kfs h ASP 90 CO 0.02 0.51 -0.27 0.61 -2.88 0.00 0.00 179.24 177.24 2kfs n GLY 91 N -0.32 -1.29 1.06 -0.78 0.00 -0.75 -4.94 105.19 98.16 2kfs n GLY 91 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2kfs n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfs n GLY 92 N 1.47 0.54 3.55 -0.02 0.00 -0.41 -5.06 105.19 105.26 2kfs n GLY 92 Ca 0.07 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2kfs n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kfs s TYR 93 N -2.93 2.92 0.70 1.61 1.51 -0.40 -5.02 117.35 115.74 2kfs s TYR 93 Ca 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 2kfs s TYR 93 Cb 0.00 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 40.18 2kfs s TYR 93 CO 0.00 0.24 1.01 -0.98 -1.11 0.00 0.00 175.55 174.71 2kfs s ARG 94 N -0.59 2.11 0.26 -0.62 1.70 -1.26 -4.50 118.95 116.05 2kfs s ARG 94 Ca 0.09 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 2kfs s ARG 94 Cb -0.12 -2.19 0.46 0.00 -0.57 0.00 0.00 34.95 32.53 2kfs s ARG 94 CO 0.02 -1.26 1.82 0.38 -1.08 0.00 0.00 175.30 175.18 2kfs h ASP 95 N -0.59 0.80 -0.79 -2.89 2.03 -1.94 -0.85 116.42 112.19 2kfs h ASP 95 Ca -0.44 0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 55.89 2kfs h ASP 95 Cb 1.31 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 39.66 2kfs h ASP 95 CO 0.57 0.45 0.43 0.74 -1.03 0.00 0.00 179.24 180.40 2kfs h THR 96 N 0.90 1.24 -0.51 1.15 2.02 -1.93 -0.99 112.91 114.79 2kfs h THR 96 Ca 0.44 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 2kfs h THR 96 Cb 0.40 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2kfs h THR 96 CO -0.25 0.27 -0.04 -0.33 0.37 0.00 0.00 175.52 175.53 2kfs h GLU 97 N 1.10 0.88 -0.19 6.66 4.39 -1.55 -0.94 114.58 124.94 2kfs h GLU 97 Ca 0.28 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kfs h GLU 97 Cb 0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2kfs h GLU 97 CO -0.04 0.91 0.11 0.82 -1.16 0.00 0.00 179.01 179.64 2kfs h ILE 98 N 0.81 1.09 0.00 3.13 1.08 -0.62 -2.02 117.51 120.98 2kfs h ILE 98 Ca 0.14 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2kfs h ILE 98 Cb 0.54 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2kfs h ILE 98 CO 0.03 0.08 -0.14 0.24 -0.69 0.00 0.00 178.15 177.68 2kfs h MET 99 N 0.21 0.00 0.29 2.37 2.86 -0.99 -2.39 114.93 117.28 2kfs h MET 99 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2kfs h MET 99 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kfs h MET 99 CO -0.01 0.14 -0.24 -0.09 1.06 0.00 0.00 176.91 177.76 2kfs h ARG 100 N 0.00 -0.50 -0.15 1.72 1.12 -0.40 -0.24 114.38 115.94 2kfs h ARG 100 Ca -0.00 0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.78 2kfs h ARG 100 Cb 0.68 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 2kfs h ARG 100 CO 0.02 -0.33 -0.45 0.11 -3.11 0.00 0.00 179.97 176.21 2kfs h TRP 101 N -0.51 0.44 -0.53 2.20 5.08 -1.58 -3.26 115.95 117.79 2kfs h TRP 101 Ca -0.04 -0.13 -0.10 0.00 1.08 0.00 0.00 58.89 59.70 2kfs h TRP 101 Cb 0.43 -0.09 -0.02 0.00 -3.00 0.00 0.00 29.16 26.48 2kfs h TRP 101 CO -0.10 0.75 -0.09 1.25 -1.28 0.00 0.00 178.44 178.98 2kfs h LEU 102 N 0.30 0.96 -1.63 0.11 5.85 -1.32 -2.72 115.31 116.87 2kfs h LEU 102 Ca 0.02 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2kfs h LEU 102 Cb 0.91 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2kfs h LEU 102 CO 0.08 1.06 0.00 0.49 -0.34 0.00 0.00 178.44 179.73 2kfs n PHE 103 N -4.16 0.50 -2.95 1.25 3.01 -0.11 -3.33 117.46 111.67 2kfs n PHE 103 Ca 0.02 -0.25 -0.42 0.00 1.01 0.00 0.00 57.45 57.81 2kfs n PHE 103 Cb 0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -1.50 4.78 0.11 4.37 2.01 -1.03 -5.01 115.64 119.38 2kfs s THR 104 Ca 0.32 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 63.11 2kfs s THR 104 Cb 0.17 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.44 2kfs s THR 104 CO 0.24 -0.29 1.46 -2.84 -0.69 0.00 0.00 174.62 172.49 2kfs s PRO 105 N 2.98 4.28 -0.20 4.92 0.02 -1.26 -4.29 135.00 141.45 2kfs s PRO 105 Ca 0.32 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 2kfs s PRO 105 Cb -0.14 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.11 2kfs s PRO 105 CO 0.14 -0.51 -0.11 0.34 -0.33 0.00 0.00 177.00 176.52 2kfs s ASP 106 N 1.28 3.78 0.53 2.53 2.15 -0.34 -4.94 116.67 121.65 2kfs s ASP 106 Ca 0.67 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 53.30 2kfs s ASP 106 Cb -0.38 -1.62 1.36 0.00 -0.30 0.00 0.00 42.92 41.98 2kfs s ASP 106 CO 0.30 -0.02 2.16 1.55 -0.17 0.00 0.00 175.17 178.99 2kfs h PRO 107 N 8.03 0.00 -0.10 4.34 0.13 -1.91 -1.30 132.00 141.20 2kfs h PRO 107 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kfs h PRO 107 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kfs h PRO 107 CO 0.62 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 2kfs n SER 108 N -4.36 1.74 -4.61 1.44 3.41 -1.26 -3.68 113.62 106.30 2kfs n SER 108 Ca -0.03 -1.64 -0.36 0.00 -0.26 0.00 0.00 58.87 56.58 2kfs n SER 108 Cb 0.10 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kfs s LEU 109 N -1.79 3.90 -0.24 1.04 2.96 -0.49 -4.96 118.68 119.09 2kfs s LEU 109 Ca 0.35 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 2kfs s LEU 109 Cb 0.20 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.90 2kfs s LEU 109 CO 0.30 0.07 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.40 2kfs s THR 110 N 1.02 2.37 0.06 3.68 2.01 -1.26 -0.47 115.64 123.04 2kfs s THR 110 Ca 0.06 -1.33 0.05 0.00 0.31 0.00 0.00 61.69 60.78 2kfs s THR 110 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2kfs s THR 110 CO 0.04 0.14 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.34 2kfs s ILE 111 N 1.20 1.04 -0.16 1.82 -1.09 -0.16 -4.88 121.20 118.97 2kfs s ILE 111 Ca -0.04 -1.18 -0.02 0.00 -2.23 0.00 0.00 60.65 57.18 2kfs s ILE 111 Cb -0.18 -0.99 -0.01 0.00 -1.58 0.00 0.00 42.46 39.70 2kfs s ILE 111 CO -0.06 -0.18 -0.09 0.28 -1.23 0.00 0.00 174.94 173.66 2kfs s THR 112 N -1.15 3.23 0.38 2.92 -1.32 -1.26 0.01 115.64 118.45 2kfs s THR 112 Ca -0.02 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 59.96 2kfs s THR 112 Cb -0.09 -2.40 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 2kfs s THR 112 CO 0.02 0.49 0.24 -0.60 -2.21 0.00 0.00 174.62 172.56 2kfs s ARG 113 N 0.71 2.42 0.29 7.08 3.52 -1.26 -4.82 118.95 126.89 2kfs s ARG 113 Ca -0.04 -1.60 -0.30 0.00 -0.13 0.00 0.00 55.73 53.65 2kfs s ARG 113 Cb -0.15 -2.22 -0.12 0.00 -1.56 0.00 0.00 34.95 30.90 2kfs s ARG 113 CO 0.02 -0.05 1.51 -0.40 -0.81 0.00 0.00 175.30 175.57 2kfs n ASP 114 N -1.32 3.43 0.00 -2.12 5.75 -1.26 -1.38 116.55 119.65 2kfs n ASP 114 Ca -0.00 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 2kfs n ASP 114 Cb 0.62 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfs n GLY 115 N 1.96 3.29 3.63 6.12 0.00 -1.26 -5.01 105.19 113.92 2kfs n GLY 115 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 116 N -0.72 4.86 -0.08 1.61 0.01 -0.48 -5.01 113.70 113.89 2kfs s SER 116 Ca 0.00 -0.05 0.18 0.00 1.31 0.00 0.00 55.95 57.38 2kfs s SER 116 Cb 0.00 -1.22 -0.23 0.00 0.21 0.00 0.00 66.02 64.78 2kfs s SER 116 CO 0.00 0.30 0.41 -2.11 0.41 0.00 0.00 173.24 172.25 2kfs n ARG 117 N 1.65 0.66 -3.60 12.44 1.85 -1.26 -4.55 116.66 123.85 2kfs n ARG 117 Ca -0.16 0.06 -0.20 0.00 -1.00 0.00 0.00 57.85 56.55 2kfs n ARG 117 Cb 0.53 -1.63 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 2kfs n ARG 117 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2kfs s ASP 118 N -5.48 5.26 -0.02 2.89 1.47 -1.26 -5.05 116.67 114.48 2kfs s ASP 118 Ca -0.07 -0.58 -0.17 0.00 1.18 0.00 0.00 52.55 52.90 2kfs s ASP 118 Cb 0.08 -0.77 -0.05 0.00 -0.34 0.00 0.00 42.92 41.83 2kfs s ASP 118 CO 0.84 -0.54 0.48 0.00 0.68 0.00 0.00 175.17 176.63 2kfs s ALA 119 N -2.38 3.59 -0.16 2.11 0.00 -1.26 -4.48 121.76 119.18 2kfs s ALA 119 Ca 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 2kfs s ALA 119 Cb -0.05 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2kfs s ALA 119 CO 0.28 0.29 -0.05 0.08 0.00 0.00 0.00 175.76 176.36 2kfs s VAL 120 N -0.50 3.76 0.16 0.00 1.01 0.10 -4.90 120.40 120.04 2kfs s VAL 120 Ca 0.26 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2kfs s VAL 120 Cb -0.17 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 2kfs s VAL 120 CO 0.14 0.49 0.83 -0.44 0.00 0.00 0.00 175.10 176.12 2kfs s SER 121 N 0.42 7.44 -0.07 3.32 0.01 -1.26 -0.98 113.70 122.58 2kfs s SER 121 Ca -0.05 1.71 -0.00 0.00 1.31 0.00 0.00 55.95 58.92 2kfs s SER 121 Cb -0.14 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2kfs s SER 121 CO 0.03 0.15 0.06 -3.20 0.41 0.00 0.00 173.24 170.69 2kfs n ASN 122 N 1.82 -2.49 -4.75 2.44 5.15 0.38 -4.98 115.26 112.84 2kfs n ASN 122 Ca -0.04 -0.01 -0.27 0.00 -0.60 0.00 0.00 54.58 53.66 2kfs n ASN 122 Cb 0.48 -1.32 -0.07 0.00 -0.53 0.00 0.00 39.78 38.34 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -3.00 3.76 0.26 5.20 0.00 -1.16 -4.75 121.76 122.07 2kfs s ALA 123 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2kfs s ALA 123 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2kfs s ALA 123 CO 0.06 -0.17 0.45 1.03 0.00 0.00 0.00 175.76 177.13 2kfs s ARG 124 N -3.93 3.51 0.65 0.00 0.52 -1.26 -1.20 118.95 117.23 2kfs s ARG 124 Ca 0.32 -0.37 0.43 0.00 -0.52 0.00 0.00 55.73 55.58 2kfs s ARG 124 Cb 0.03 -2.78 2.26 0.00 0.52 0.00 0.00 34.95 34.98 2kfs s ARG 124 CO 0.17 0.32 2.31 -1.35 0.02 0.00 0.00 175.30 176.77 2kfs h PRO 125 N 1.49 0.00 -0.64 3.54 0.11 -1.74 -0.60 132.00 134.16 2kfs h PRO 125 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kfs h PRO 125 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 125 CO 0.65 0.00 0.39 0.28 -0.21 0.00 0.00 178.00 179.11 2kfs h VAL 126 N 0.00 1.18 -0.67 3.15 2.07 -1.92 -0.86 116.25 119.19 2kfs h VAL 126 Ca -0.00 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2kfs h VAL 126 Cb 0.09 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2kfs h VAL 126 CO 0.00 0.18 0.16 0.44 0.02 0.00 0.00 177.57 178.37 2kfs h ASP 127 N 0.87 1.02 0.13 0.57 3.32 -1.45 -1.58 116.42 119.28 2kfs h ASP 127 Ca 0.23 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2kfs h ASP 127 Cb -0.04 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.24 2kfs h ASP 127 CO -0.04 0.98 -0.06 0.00 -1.72 0.00 0.00 179.24 178.39 2kfs h ALA 128 N 1.15 -0.17 -0.32 3.45 0.00 -1.17 -0.70 119.26 121.50 2kfs h ALA 128 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kfs h ALA 128 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kfs h ALA 128 CO 0.00 -0.52 -0.19 1.37 0.00 0.00 0.00 179.25 179.92 2kfs h LEU 129 N -0.33 0.58 -1.16 0.00 8.10 -1.04 0.37 115.31 121.85 2kfs h LEU 129 Ca -0.02 -0.18 -0.06 0.00 0.11 0.00 0.00 57.88 57.73 2kfs h LEU 129 Cb 0.26 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2kfs h LEU 129 CO 0.03 0.78 -0.26 -0.74 -4.11 0.00 0.00 178.44 174.14 2kfs h HIS 130 N 0.53 0.00 -0.69 0.17 2.76 -1.22 -2.36 115.15 114.34 2kfs h HIS 130 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2kfs h HIS 130 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2kfs h HIS 130 CO 0.02 0.26 0.00 0.00 -1.30 0.00 0.00 177.93 176.92 2kfs n ALA 131 N -2.26 2.60 -2.05 5.26 0.00 -0.28 -4.80 120.51 118.98 2kfs n ALA 131 Ca -0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 53.44 51.96 2kfs n ALA 131 Cb 0.43 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N 1.44 -0.50 -1.20 0.00 -0.00 -0.82 -4.86 115.22 109.27 2kfs n HIS 132 Ca 0.24 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.42 2kfs n HIS 132 Cb 0.68 -2.87 0.24 0.00 -0.12 0.00 0.00 29.99 27.92 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kfs n GLN 133 N -2.40 2.54 0.05 1.57 6.02 0.12 -4.71 117.38 120.57 2kfs n GLN 133 Ca -0.16 -3.02 0.21 0.00 -0.01 0.00 0.00 57.00 54.02 2kfs n GLN 133 Cb 0.59 -1.91 0.73 0.00 1.02 0.00 0.00 30.24 30.67 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 1.53 2.24 -0.81 -1.58 0.00 -1.79 -1.14 119.26 117.70 2kfs h ALA 134 Ca 0.17 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2kfs h ALA 134 Cb 1.75 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 2kfs h ALA 134 CO 0.42 -0.73 0.53 0.00 0.00 0.00 0.00 179.25 179.47 2kfs h ARG 135 N 0.00 0.58 0.00 0.00 2.47 -1.92 0.25 114.38 115.76 2kfs h ARG 135 Ca 0.23 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.80 2kfs h ARG 135 Cb 1.18 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 2kfs h ARG 135 CO -0.00 0.38 -0.53 0.93 0.56 0.00 0.00 179.97 181.31 2kfs h GLU 136 N 0.59 0.00 -0.08 0.04 5.08 -1.61 -1.21 114.58 117.39 2kfs h GLU 136 Ca 0.40 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.65 2kfs h GLU 136 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2kfs h GLU 136 CO -0.16 0.53 -0.38 0.28 -1.00 0.00 0.00 179.01 178.28 2kfs h VAL 137 N 0.00 1.40 -0.54 3.13 2.07 -0.90 -2.71 116.25 118.70 2kfs h VAL 137 Ca -0.01 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2kfs h VAL 137 Cb 1.07 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 2kfs h VAL 137 CO 0.07 0.51 0.32 0.58 0.02 0.00 0.00 177.57 179.07 2kfs h VAL 138 N -0.05 1.17 -0.76 2.57 2.07 -0.49 0.23 116.25 120.98 2kfs h VAL 138 Ca -0.02 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2kfs h VAL 138 Cb 1.03 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2kfs h VAL 138 CO 0.08 0.18 0.37 0.08 0.02 0.00 0.00 177.57 178.30 2kfs h ARG 139 N 0.73 1.08 -0.34 1.57 0.11 -1.25 0.66 114.38 116.93 2kfs h ARG 139 Ca 0.19 -0.15 -0.14 0.00 0.10 0.00 0.00 59.98 59.99 2kfs h ARG 139 Cb 0.01 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 30.87 2kfs h ARG 139 CO -0.03 0.83 -0.34 0.00 0.10 0.00 0.00 179.97 180.52 2kfs h ARG 140 N 1.08 0.78 -0.69 0.08 3.08 -1.10 -2.03 114.38 115.58 2kfs h ARG 140 Ca 0.26 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.96 2kfs h ARG 140 Cb 0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2kfs h ARG 140 CO -0.03 1.00 0.44 0.00 -1.07 0.00 0.00 179.97 180.31 2kfs h ALA 141 N 0.96 0.90 -0.37 0.04 0.00 0.33 0.24 119.26 121.35 2kfs h ALA 141 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kfs h ALA 141 Cb 0.89 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kfs h ALA 141 CO 0.08 0.23 0.15 1.96 0.00 0.00 0.00 179.25 181.67 2kfs h GLN 142 N 0.87 0.55 -0.74 0.00 4.20 -0.77 -0.83 115.11 118.39 2kfs h GLN 142 Ca 0.27 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2kfs h GLN 142 Cb -0.02 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2kfs h GLN 142 CO -0.09 0.52 0.22 0.00 -0.67 0.00 0.00 178.83 178.80 2kfs h ALA 143 N 1.00 0.98 -0.10 3.87 0.00 -0.79 0.14 119.26 124.36 2kfs h ALA 143 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2kfs h ALA 143 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kfs h ALA 143 CO -0.01 0.67 -0.50 1.98 0.00 0.00 0.00 179.25 181.39 2kfs h MET 144 N 1.11 0.26 0.00 0.00 1.85 -0.37 -3.30 114.93 114.48 2kfs h MET 144 Ca 0.24 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2kfs h MET 144 Cb 0.33 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.37 2kfs h MET 144 CO -0.00 0.70 -0.12 0.00 -0.40 0.00 0.00 176.91 177.09 2kfs h ALA 145 N 1.27 0.02 -0.02 0.39 0.00 -0.78 -3.51 119.26 116.63 2kfs h ALA 145 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kfs h ALA 145 Cb 0.95 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kfs h ALA 145 CO 0.08 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.07