#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.85 -1.44 0.03 0.02 -1.26 -4.87 135.00 131.33 2kfs s PRO 2 Ca 0.00 -1.69 -0.12 0.00 0.02 0.00 0.00 61.00 59.21 2kfs s PRO 2 Cb 0.00 -5.48 0.05 0.00 0.02 0.00 0.00 34.50 29.10 2kfs s PRO 2 CO 0.00 -2.24 2.27 0.41 -0.33 0.00 0.00 177.00 177.10 2kfs n GLY 3 N 5.93 4.51 3.73 0.52 0.00 -1.26 -4.95 105.19 113.67 2kfs n GLY 3 Ca 0.43 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N 2.27 4.25 0.10 1.61 0.52 -1.26 -5.02 118.95 121.42 2kfs s ARG 4 Ca 0.49 2.31 0.03 0.00 -0.52 0.00 0.00 55.73 58.05 2kfs s ARG 4 Cb 0.14 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 2kfs s ARG 4 CO -0.07 -0.50 0.10 0.00 0.02 0.00 0.00 175.30 174.85 2kfs s ALA 5 N 0.55 3.58 -1.02 2.13 0.00 -1.26 -5.01 121.76 120.73 2kfs s ALA 5 Ca 0.64 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 2kfs s ALA 5 Cb -0.42 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 2kfs s ALA 5 CO 0.37 0.68 1.93 -2.14 0.00 0.00 0.00 175.76 176.60 2kfs s PRO 6 N -2.61 2.57 -0.17 0.00 0.02 -1.26 -4.49 135.00 129.07 2kfs s PRO 6 Ca 0.30 -0.66 0.06 0.00 0.02 0.00 0.00 61.00 60.71 2kfs s PRO 6 Cb -0.12 -5.14 -0.14 0.00 0.02 0.00 0.00 34.50 29.12 2kfs s PRO 6 CO 0.23 -3.57 -0.08 0.41 -0.33 0.00 0.00 177.00 173.65 2kfs n GLY 7 N 6.44 -0.42 2.91 0.52 0.00 -1.26 -5.01 105.19 108.37 2kfs n GLY 7 Ca 0.42 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 2kfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 8 N -2.84 1.23 -3.82 1.61 7.64 -1.26 -5.14 113.62 111.03 2kfs n SER 8 Ca -0.29 -1.96 -0.12 0.00 1.01 0.00 0.00 58.87 57.51 2kfs n SER 8 Cb 0.89 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 2kfs n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kfs s THR 9 N -2.03 0.07 0.45 0.44 2.01 -1.26 -5.14 115.64 110.18 2kfs s THR 9 Ca 0.48 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 2kfs s THR 9 Cb -0.03 -0.51 -0.07 0.00 0.01 0.00 0.00 72.50 71.90 2kfs s THR 9 CO 0.31 -0.33 1.26 -0.76 -0.69 0.00 0.00 174.62 174.41 2kfs s LEU 10 N -1.35 4.06 0.42 4.42 1.43 -1.26 -5.02 118.68 121.38 2kfs s LEU 10 Ca -0.14 2.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 2kfs s LEU 10 Cb -0.07 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 42.05 2kfs s LEU 10 CO 0.03 -1.02 0.59 0.00 0.23 0.00 0.00 176.35 176.18 2kfs s ALA 11 N -1.38 4.21 -0.81 4.21 0.00 -1.26 -4.91 121.76 121.81 2kfs s ALA 11 Ca 0.62 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 2kfs s ALA 11 Cb -0.35 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 20.98 2kfs s ALA 11 CO 0.43 -0.30 1.56 0.50 0.00 0.00 0.00 175.76 177.95 2kfs s ARG 12 N -4.40 3.07 0.00 0.00 3.52 -1.25 -4.41 118.95 115.48 2kfs s ARG 12 Ca 0.51 -0.30 0.22 0.00 -0.13 0.00 0.00 55.73 56.03 2kfs s ARG 12 Cb -0.10 -4.69 0.03 0.00 -1.56 0.00 0.00 34.95 28.63 2kfs s ARG 12 CO 0.34 -2.50 1.08 1.33 -0.81 0.00 0.00 175.30 174.75 2kfs n VAL 13 N 6.95 0.00 -3.31 7.11 0.24 -0.86 -4.51 118.33 123.94 2kfs n VAL 13 Ca 0.21 -0.32 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 2kfs n VAL 13 Cb 0.50 1.30 -0.07 0.00 -1.47 0.00 0.00 33.84 34.09 2kfs n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kfs n GLY 14 N 1.35 4.79 3.35 7.63 0.00 -1.15 -4.96 105.19 116.21 2kfs n GLY 14 Ca 0.10 -2.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.03 2kfs n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 15 N 0.68 4.85 -4.61 1.61 7.64 -1.26 -4.33 113.62 118.19 2kfs n SER 15 Ca 0.29 -2.94 -0.40 0.00 1.01 0.00 0.00 58.87 56.84 2kfs n SER 15 Cb 0.42 -1.67 -0.08 0.00 -1.01 0.00 0.00 64.21 61.87 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfs s ILE 16 N 3.08 5.11 0.41 0.44 1.09 -1.26 -5.06 121.20 125.00 2kfs s ILE 16 Ca 0.49 0.74 -0.24 0.00 -1.10 0.00 0.00 60.65 60.55 2kfs s ILE 16 Cb 0.04 -3.79 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 2kfs s ILE 16 CO 0.03 0.10 1.05 -2.16 -0.10 0.00 0.00 174.94 173.85 2kfs s PRO 17 N 2.23 4.13 -0.05 2.79 0.04 -1.26 -4.87 135.00 138.01 2kfs s PRO 17 Ca 0.19 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 2kfs s PRO 17 Cb -0.16 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.86 2kfs s PRO 17 CO 0.10 -0.16 0.82 0.00 0.04 0.00 0.00 177.00 177.79 2kfs s ALA 18 N -1.70 3.29 0.00 8.56 0.00 -1.26 -3.87 121.76 126.78 2kfs s ALA 18 Ca 0.59 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2kfs s ALA 18 Cb -0.21 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2kfs s ALA 18 CO 0.26 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2kfs n GLY 19 N 3.07 1.32 3.38 0.00 0.00 -1.26 -4.82 105.19 106.87 2kfs n GLY 19 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 0.99 3.40 0.67 1.61 2.15 -1.26 -3.37 116.67 120.86 2kfs s ASP 20 Ca 0.00 -0.44 -0.12 0.00 0.43 0.00 0.00 52.55 52.42 2kfs s ASP 20 Cb 0.00 -0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 42.14 2kfs s ASP 20 CO 0.00 0.30 1.06 1.51 -0.17 0.00 0.00 175.17 177.87 2kfs s ASP 21 N -0.92 5.42 -0.22 -0.34 -4.77 -1.08 -4.27 116.67 110.49 2kfs s ASP 21 Ca 0.11 1.71 0.11 0.00 -3.30 0.00 0.00 52.55 51.19 2kfs s ASP 21 Cb -0.10 -2.51 0.43 0.00 -1.09 0.00 0.00 42.92 39.65 2kfs s ASP 21 CO 0.01 -1.41 1.21 0.52 0.70 0.00 0.00 175.17 176.20 2kfs n VAL 22 N -2.78 2.16 -3.43 2.11 0.31 -1.26 -5.04 118.33 110.41 2kfs n VAL 22 Ca 0.08 -3.35 -0.23 0.00 -0.01 0.00 0.00 64.34 60.83 2kfs n VAL 22 Cb 0.53 -0.36 0.03 0.00 -0.91 0.00 0.00 33.84 33.14 2kfs n VAL 22 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kfs s LEU 23 N -3.17 2.89 -0.01 7.52 1.43 -1.26 -4.93 118.68 121.15 2kfs s LEU 23 Ca 0.41 -1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 2kfs s LEU 23 Cb 0.38 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 2kfs s LEU 23 CO -0.05 -1.26 0.51 -0.62 0.23 0.00 0.00 176.35 175.17 2kfs s ASP 24 N -4.50 6.88 0.60 2.29 2.15 -1.26 -4.98 116.67 117.84 2kfs s ASP 24 Ca 0.49 1.05 0.29 0.00 0.43 0.00 0.00 52.55 54.80 2kfs s ASP 24 Cb -0.04 -2.32 1.41 0.00 -0.30 0.00 0.00 42.92 41.67 2kfs s ASP 24 CO 0.31 0.17 1.81 -0.65 -0.17 0.00 0.00 175.17 176.64 2kfs h PRO 25 N 5.44 0.00 -0.22 4.34 0.11 -2.01 -1.16 132.00 138.50 2kfs h PRO 25 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 2kfs h PRO 25 Cb 1.20 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 2kfs h PRO 25 CO 0.68 0.00 -0.83 -3.47 -0.21 0.00 0.00 178.00 174.16 2kfs n ASP 26 N -3.60 2.09 -4.71 -2.05 2.03 -1.26 -5.03 116.55 104.02 2kfs n ASP 26 Ca 0.10 -2.97 -0.42 0.00 0.52 0.00 0.00 54.79 52.01 2kfs n ASP 26 Cb 0.78 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 2kfs n ASP 26 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2kfs s GLU 27 N -2.43 4.39 -0.65 -0.67 2.56 -0.44 -4.89 118.70 116.56 2kfs s GLU 27 Ca 0.37 1.86 -0.26 0.00 0.00 0.00 0.00 54.97 56.94 2kfs s GLU 27 Cb 0.37 -3.34 -0.12 0.00 2.00 0.00 0.00 34.13 33.04 2kfs s GLU 27 CO -0.07 -0.34 2.47 -2.30 -0.56 0.00 0.00 175.26 174.45 2kfs n PRO 28 N 4.09 0.74 -3.13 4.30 -0.02 -1.26 -4.90 135.00 134.82 2kfs n PRO 28 Ca 0.10 -0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.28 2kfs n PRO 28 Cb 0.45 -3.01 0.02 0.00 -0.02 0.00 0.00 33.50 30.94 2kfs n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kfs n THR 29 N 7.91 0.00 -4.26 3.45 -2.24 -1.26 -4.14 114.28 113.75 2kfs n THR 29 Ca 0.45 -1.67 -0.23 0.00 -2.27 0.00 0.00 64.05 60.33 2kfs n THR 29 Cb 0.42 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 2kfs n THR 29 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2kfs s TYR 30 N -2.07 2.78 0.13 4.78 2.02 0.80 -4.87 117.35 120.92 2kfs s TYR 30 Ca 0.31 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 2kfs s TYR 30 Cb -0.02 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 2kfs s TYR 30 CO 0.20 0.60 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.25 2kfs s ASP 31 N -3.68 0.97 0.17 2.29 1.11 -1.26 -0.03 116.67 116.24 2kfs s ASP 31 Ca 0.32 -1.10 -0.19 0.00 0.18 0.00 0.00 52.55 51.76 2kfs s ASP 31 Cb -0.07 0.15 0.08 0.00 1.07 0.00 0.00 42.92 44.15 2kfs s ASP 31 CO 0.21 -0.56 1.64 -0.07 1.18 0.00 0.00 175.17 177.57 2kfs h LEU 32 N 2.87 -0.61 -1.34 1.23 3.38 -1.97 0.24 115.31 119.11 2kfs h LEU 32 Ca -0.36 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2kfs h LEU 32 Cb 1.18 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 2kfs h LEU 32 CO 0.63 -0.21 0.33 1.55 0.09 0.00 0.00 178.44 180.82 2kfs h PRO 33 N -0.12 0.77 -0.25 1.13 0.13 -1.97 -0.92 132.00 130.78 2kfs h PRO 33 Ca 0.18 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 2kfs h PRO 33 Cb 0.40 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2kfs h PRO 33 CO -0.44 0.56 -0.46 -0.09 -0.23 0.00 0.00 178.00 177.33 2kfs h ARG 34 N 0.78 0.65 -0.39 0.86 9.65 -1.64 -0.90 114.38 123.40 2kfs h ARG 34 Ca 0.20 -0.36 -0.14 0.00 -1.10 0.00 0.00 59.98 58.58 2kfs h ARG 34 Cb -0.00 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2kfs h ARG 34 CO -0.04 0.97 -0.33 0.28 2.80 0.00 0.00 179.97 183.66 2kfs h VAL 35 N 0.52 1.27 -0.99 0.20 2.07 -0.16 -0.08 116.25 119.09 2kfs h VAL 35 Ca 0.03 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.08 2kfs h VAL 35 Cb 1.00 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 2kfs h VAL 35 CO 0.09 0.50 0.65 0.00 0.02 0.00 0.00 177.57 178.83 2kfs h ALA 36 N 0.89 1.32 -0.33 1.67 0.00 -0.99 0.18 119.26 122.00 2kfs h ALA 36 Ca 0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2kfs h ALA 36 Cb 0.89 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kfs h ALA 36 CO 0.08 0.61 -0.28 1.49 0.00 0.00 0.00 179.25 181.15 2kfs h GLU 37 N 1.30 0.68 -0.10 0.00 4.81 -0.78 0.15 114.58 120.64 2kfs h GLU 37 Ca 0.37 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2kfs h GLU 37 Cb -0.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2kfs h GLU 37 CO -0.10 0.88 -0.31 1.25 -0.73 0.00 0.00 179.01 180.00 2kfs h LEU 38 N 0.58 0.44 0.00 1.64 5.85 -0.08 -3.31 115.31 120.44 2kfs h LEU 38 Ca 0.07 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2kfs h LEU 38 Cb 0.77 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2kfs h LEU 38 CO 0.06 0.97 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.54 2kfs h LEU 39 N -0.07 0.00 0.45 2.25 3.38 -0.64 -3.48 115.31 117.20 2kfs h LEU 39 Ca -0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2kfs h LEU 39 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2kfs h LEU 39 CO 0.07 0.02 -0.09 0.61 0.09 0.00 0.00 178.44 179.14 2kfs n GLY 40 N 1.20 0.31 3.41 0.83 0.00 0.48 -5.04 105.19 106.37 2kfs n GLY 40 Ca 0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.17 2.12 0.70 1.61 -7.23 -0.83 -5.04 120.40 109.56 2kfs s VAL 41 Ca 0.00 -2.26 -0.15 0.00 -1.81 0.00 0.00 61.98 57.77 2kfs s VAL 41 Cb 0.00 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2kfs s VAL 41 CO 0.00 -0.45 1.14 -2.16 -0.31 0.00 0.00 175.10 173.32 2kfs s PRO 42 N -3.43 2.50 0.44 4.82 0.04 -1.26 -4.46 135.00 133.66 2kfs s PRO 42 Ca 0.25 1.49 0.17 0.00 0.04 0.00 0.00 61.00 62.95 2kfs s PRO 42 Cb -0.04 -1.90 1.11 0.00 0.04 0.00 0.00 34.50 33.71 2kfs s PRO 42 CO 0.11 -1.50 1.93 0.28 0.04 0.00 0.00 177.00 177.86 2kfs h VAL 43 N -0.21 0.79 -0.52 -0.36 2.07 -1.92 -0.29 116.25 115.81 2kfs h VAL 43 Ca -0.47 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2kfs h VAL 43 Cb 1.26 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2kfs h VAL 43 CO 0.52 0.06 0.27 -1.28 0.02 0.00 0.00 177.57 177.16 2kfs h SER 44 N 0.35 0.39 -0.40 0.57 0.87 -1.96 0.19 113.55 113.55 2kfs h SER 44 Ca 0.35 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 2kfs h SER 44 Cb 0.87 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2kfs h SER 44 CO -0.10 0.27 0.03 0.11 -0.53 0.00 0.00 176.83 176.61 2kfs h LYS 45 N 0.52 0.77 -0.39 2.24 1.57 -1.41 0.15 116.57 120.02 2kfs h LYS 45 Ca 0.23 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2kfs h LYS 45 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2kfs h LYS 45 CO -0.15 0.76 0.15 0.28 -0.57 0.00 0.00 179.45 179.92 2kfs h VAL 46 N 0.73 1.20 -0.59 0.50 2.07 -1.09 -1.06 116.25 118.02 2kfs h VAL 46 Ca 0.15 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2kfs h VAL 46 Cb 0.40 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2kfs h VAL 46 CO 0.01 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.12 2kfs h ALA 47 N 0.99 1.42 -0.29 1.67 0.00 0.00 -0.69 119.26 122.37 2kfs h ALA 47 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kfs h ALA 47 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kfs h ALA 47 CO -0.01 0.47 0.16 1.96 0.00 0.00 0.00 179.25 181.82 2kfs h GLN 48 N 0.82 0.41 -0.76 0.00 4.20 -0.23 -0.45 115.11 119.10 2kfs h GLN 48 Ca 0.21 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.89 2kfs h GLN 48 Cb 0.06 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2kfs h GLN 48 CO -0.03 0.36 0.49 1.96 -0.67 0.00 0.00 178.83 180.94 2kfs h GLN 49 N 0.35 0.96 -0.73 1.46 4.20 -0.48 0.16 115.11 121.03 2kfs h GLN 49 Ca 0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2kfs h GLN 49 Cb 0.07 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2kfs h GLN 49 CO -0.02 0.64 0.34 1.25 -0.67 0.00 0.00 178.83 180.37 2kfs h LEU 50 N 0.99 0.94 -0.91 1.46 5.85 -0.93 -1.22 115.31 121.48 2kfs h LEU 50 Ca 0.29 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2kfs h LEU 50 Cb -0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2kfs h LEU 50 CO -0.08 0.80 -0.51 0.03 -0.34 0.00 0.00 178.44 178.33 2kfs h ARG 51 N 1.03 0.00 0.00 1.25 3.08 0.56 -2.99 114.38 117.32 2kfs h ARG 51 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2kfs h ARG 51 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kfs h ARG 51 CO -0.03 0.51 0.00 0.39 -1.07 0.00 0.00 179.97 179.77 2kfs n GLU 52 N -3.80 0.11 -1.26 0.04 1.02 0.40 -2.03 120.64 115.12 2kfs n GLU 52 Ca -0.01 0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 57.30 2kfs n GLU 52 Cb 0.55 -1.66 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.92 0.41 0.68 0.62 0.00 -0.89 -4.45 105.19 102.48 2kfs n GLY 53 Ca 0.05 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.18 2kfs n GLY 53 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfs n HIS 54 N -3.23 0.00 -3.52 1.61 -0.00 -0.60 -4.69 115.22 104.78 2kfs n HIS 54 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.57 2kfs n HIS 54 Cb 0.14 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.08 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 -2.03 -0.53 0.05 2.41 2.96 -1.24 -4.51 118.68 115.78 2kfs s LEU 55 Ca 0.33 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 2kfs s LEU 55 Cb 0.20 2.31 -0.02 0.00 0.50 0.00 0.00 46.19 49.18 2kfs s LEU 55 CO 0.33 -0.60 -0.12 0.54 -1.32 0.00 0.00 176.35 175.19 2kfs s VAL 56 N -1.80 0.93 0.18 1.68 0.11 -1.26 -4.52 120.40 115.71 2kfs s VAL 56 Ca -0.05 -1.10 0.10 0.00 -2.93 0.00 0.00 61.98 58.01 2kfs s VAL 56 Cb -0.00 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2kfs s VAL 56 CO 0.02 -0.17 -0.22 0.00 -3.33 0.00 0.00 175.10 171.40 2kfs s ALA 57 N -1.10 2.29 0.28 1.54 0.00 -1.26 -4.73 121.76 118.76 2kfs s ALA 57 Ca -0.03 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.42 2kfs s ALA 57 Cb -0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 2kfs s ALA 57 CO 0.01 0.35 -0.00 0.14 0.00 0.00 0.00 175.76 176.26 2kfs s VAL 58 N -1.78 1.29 -0.15 0.00 -7.23 0.39 -4.29 120.40 108.63 2kfs s VAL 58 Ca 0.18 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2kfs s VAL 58 Cb -0.07 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2kfs s VAL 58 CO 0.08 -0.22 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.45 2kfs s ARG 59 N -3.83 3.56 -0.12 4.82 0.52 -1.22 -0.19 118.95 122.50 2kfs s ARG 59 Ca 0.31 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2kfs s ARG 59 Cb 0.06 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.72 2kfs s ARG 59 CO 0.12 0.21 -0.14 -0.98 0.02 0.00 0.00 175.30 174.52 2kfs s ARG 60 N 0.42 2.19 0.00 3.54 1.70 -0.04 -2.63 118.95 124.13 2kfs s ARG 60 Ca -0.06 -0.54 0.00 0.00 -0.47 0.00 0.00 55.73 54.66 2kfs s ARG 60 Cb -0.15 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 2kfs s ARG 60 CO 0.04 -0.12 0.00 0.00 -1.08 0.00 0.00 175.30 174.14 2kfs n ALA 61 N 4.38 0.00 0.00 7.88 0.00 -1.26 -1.16 120.51 130.35 2kfs n ALA 61 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kfs n ALA 61 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.71 1.02 3.90 0.00 0.00 -1.26 -5.12 105.19 102.01 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 -0.60 2.04 -0.26 -0.02 0.00 -0.31 -5.03 107.32 103.14 2kfs s GLY 63 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.09 2kfs s GLY 63 CO 0.00 -0.39 0.32 0.14 0.00 0.00 0.00 173.10 173.17 2kfs s VAL 64 N -1.92 5.22 0.11 1.40 1.01 -1.26 -0.86 120.40 124.09 2kfs s VAL 64 Ca 0.44 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.91 2kfs s VAL 64 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.26 0.20 -0.06 0.68 0.00 0.00 0.00 175.10 176.18 2kfs s VAL 65 N 1.87 0.73 -0.12 2.92 -7.23 0.74 -4.51 120.40 114.80 2kfs s VAL 65 Ca 0.13 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2kfs s VAL 65 Cb -0.16 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2kfs s VAL 65 CO 0.10 -0.84 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.24 2kfs s ILE 66 N -3.60 1.73 0.33 -0.62 1.01 0.96 -0.46 121.20 120.55 2kfs s ILE 66 Ca 0.13 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 2kfs s ILE 66 Cb 0.05 -1.55 -0.12 0.00 0.01 0.00 0.00 42.46 40.85 2kfs s ILE 66 CO -0.04 0.49 1.35 -2.65 0.00 0.00 0.00 174.94 174.09 2kfs n PRO 67 N 4.10 2.23 -0.27 2.79 -0.02 -1.26 -0.14 135.00 142.42 2kfs n PRO 67 Ca -0.19 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2kfs n PRO 67 Cb 0.51 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.97 2kfs n PRO 67 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kfs h GLN 68 N 2.89 0.67 0.00 -0.52 5.75 -1.90 -1.95 115.11 120.04 2kfs h GLN 68 Ca -0.47 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 2kfs h GLN 68 Cb 1.27 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.67 2kfs h GLN 68 CO 0.65 0.44 0.00 1.33 -2.65 0.00 0.00 178.83 178.60 2kfs n VAL 69 N -4.57 0.00 1.19 2.39 0.24 -1.26 -1.35 118.33 114.97 2kfs n VAL 69 Ca 0.18 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.60 2kfs n VAL 69 Cb 0.48 -0.58 0.25 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.88 0.00 -5.20 6.34 3.01 -0.73 -4.86 117.46 115.13 2kfs n PHE 70 Ca 0.11 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.27 2kfs n PHE 70 Cb 0.05 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.17 2.17 0.80 1.38 0.08 -0.45 -3.43 117.98 116.36 2kfs s PHE 71 Ca 0.29 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.77 2kfs s PHE 71 Cb 0.20 -1.41 0.07 0.00 -0.57 0.00 0.00 43.02 41.32 2kfs s PHE 71 CO 0.40 -0.06 1.16 0.95 -0.10 0.00 0.00 175.22 177.56 2kfs s THR 72 N -0.50 2.28 0.62 0.64 -4.23 0.07 -4.90 115.64 109.62 2kfs s THR 72 Ca 0.07 0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.00 2kfs s THR 72 Cb -0.10 -3.07 0.37 0.00 1.34 0.00 0.00 72.50 71.05 2kfs s THR 72 CO -0.00 -0.12 2.17 -0.55 -0.54 0.00 0.00 174.62 175.57 2kfs h ASN 73 N -1.02 0.00 0.81 3.99 7.08 -1.96 0.89 115.58 125.37 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 2kfs h ASN 73 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 2kfs h ASN 73 CO 0.65 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.76 2kfs n SER 74 N -3.51 0.00 0.00 6.14 2.88 -1.26 -4.88 113.62 112.99 2kfs n SER 74 Ca -0.01 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2kfs n SER 74 Cb 0.23 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfs n GLY 75 N 1.40 0.50 3.52 0.46 0.00 0.31 -5.04 105.19 106.33 2kfs n GLY 75 Ca 0.10 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2kfs n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kfs s GLN 76 N -1.43 1.80 0.37 1.61 -2.07 -1.26 -4.63 119.66 114.06 2kfs s GLN 76 Ca 0.00 -1.79 -0.25 0.00 -1.82 0.00 0.00 55.36 51.50 2kfs s GLN 76 Cb 0.00 -1.79 -0.09 0.00 -1.09 0.00 0.00 33.01 30.03 2kfs s GLN 76 CO 0.00 0.26 1.05 0.08 -1.32 0.00 0.00 175.29 175.37 2kfs s VAL 77 N -2.53 3.70 0.07 3.63 1.01 -1.26 -0.75 120.40 124.27 2kfs s VAL 77 Ca 0.31 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.36 2kfs s VAL 77 Cb -0.03 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2kfs s VAL 77 CO 0.16 0.08 1.69 -0.69 0.00 0.00 0.00 175.10 176.34 2kfs s VAL 78 N -1.57 2.98 0.21 2.92 1.01 -1.22 -4.84 120.40 119.89 2kfs s VAL 78 Ca 0.55 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2kfs s VAL 78 Cb -0.24 -3.26 0.15 0.00 0.00 0.00 0.00 36.38 33.03 2kfs s VAL 78 CO 0.30 -0.00 1.78 0.50 0.00 0.00 0.00 175.10 177.67 2kfs h LYS 79 N 8.51 0.54 -0.61 2.72 3.64 -1.96 -2.13 116.57 127.28 2kfs h LYS 79 Ca -0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2kfs h LYS 79 Cb 1.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kfs h LYS 79 CO 0.93 0.35 0.00 0.43 -2.27 0.00 0.00 179.45 178.90 2kfs n SER 80 N -4.89 3.30 -0.10 4.20 7.64 -1.26 -4.25 113.62 118.25 2kfs n SER 80 Ca 0.09 -2.00 -0.11 0.00 1.01 0.00 0.00 58.87 57.86 2kfs n SER 80 Cb 0.23 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 3.62 0.50 -2.16 -3.43 6.46 -1.77 -2.50 115.31 116.02 2kfs h LEU 81 Ca 0.00 -0.28 0.07 0.00 -0.12 0.00 0.00 57.88 57.55 2kfs h LEU 81 Cb 0.83 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2kfs h LEU 81 CO 0.00 0.66 0.26 -0.65 -0.62 0.00 0.00 178.44 178.09 2kfs h PRO 82 N 0.33 0.00 -0.72 5.25 0.11 -1.75 -0.83 132.00 134.39 2kfs h PRO 82 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 2kfs h PRO 82 Cb 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 2kfs h PRO 82 CO 0.01 0.00 0.29 0.78 -0.21 0.00 0.00 178.00 178.87 2kfs h GLY 83 N 0.00 1.13 1.06 -0.55 0.00 -1.71 0.41 103.07 103.41 2kfs h GLY 83 Ca 0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 2kfs h GLY 83 CO -0.00 0.56 -0.27 0.17 0.00 0.00 0.00 176.54 177.00 2kfs h LEU 84 N 1.03 0.92 -1.45 3.11 8.10 -1.15 -2.87 115.31 123.00 2kfs h LEU 84 Ca 0.24 -0.43 -0.02 0.00 0.11 0.00 0.00 57.88 57.78 2kfs h LEU 84 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.13 2kfs h LEU 84 CO -0.02 1.15 0.19 -0.07 -4.11 0.00 0.00 178.44 175.58 2kfs h LEU 85 N 0.69 0.50 -0.09 0.17 3.38 -1.25 -1.66 115.31 117.05 2kfs h LEU 85 Ca 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kfs h LEU 85 Cb 0.84 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kfs h LEU 85 CO 0.07 0.44 0.05 0.74 0.09 0.00 0.00 178.44 179.83 2kfs h THR 86 N 0.56 1.09 -0.39 0.22 2.02 -0.73 -0.44 112.91 115.24 2kfs h THR 86 Ca 0.14 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2kfs h THR 86 Cb 0.07 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2kfs h THR 86 CO -0.02 0.07 -0.19 -0.29 0.37 0.00 0.00 175.52 175.47 2kfs h ILE 87 N 0.05 1.28 -0.30 3.11 -0.00 -1.22 -2.10 117.51 118.33 2kfs h ILE 87 Ca 0.03 -1.33 -0.09 0.00 -0.00 0.00 0.00 64.86 63.48 2kfs h ILE 87 Cb 0.08 1.30 -0.02 0.00 -0.00 0.00 0.00 36.82 38.18 2kfs h ILE 87 CO -0.00 0.44 -0.19 -0.07 -0.00 0.00 0.00 178.15 178.33 2kfs h LEU 88 N 0.63 0.55 -1.12 2.19 -0.00 -1.26 -0.38 115.31 115.92 2kfs h LEU 88 Ca 0.09 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2kfs h LEU 88 Cb 0.74 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2kfs h LEU 88 CO 0.06 0.75 0.08 -0.74 -0.00 0.00 0.00 178.44 178.59 2kfs h HIS 89 N 0.50 0.73 -0.04 1.13 2.76 -0.96 0.99 115.15 120.26 2kfs h HIS 89 Ca 0.08 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 2kfs h HIS 89 Cb 0.61 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2kfs h HIS 89 CO 0.02 0.64 -0.55 0.22 -1.30 0.00 0.00 177.93 176.96 2kfs h ASP 90 N 0.68 0.12 0.49 3.26 3.58 -0.67 -2.85 116.42 121.04 2kfs h ASP 90 Ca 0.15 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kfs h ASP 90 Cb 0.30 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2kfs h ASP 90 CO 0.00 0.65 -0.37 0.61 -2.88 0.00 0.00 179.24 177.25 2kfs n GLY 91 N 0.10 -1.13 1.02 -0.78 0.00 -0.22 -4.96 105.19 99.21 2kfs n GLY 91 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.45 0.46 3.42 -0.02 0.00 0.18 -5.05 105.19 105.63 2kfs n GLY 92 Ca 0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.00 2.59 0.71 1.61 2.02 -0.24 -5.02 117.35 116.02 2kfs s TYR 93 Ca 0.00 -0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 2kfs s TYR 93 Cb 0.00 -1.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.03 2kfs s TYR 93 CO 0.00 0.11 1.03 -0.98 -1.57 0.00 0.00 175.55 174.14 2kfs s ARG 94 N -0.67 2.18 0.24 -0.62 1.70 -1.26 -4.56 118.95 115.95 2kfs s ARG 94 Ca 0.11 -0.24 -0.05 0.00 -0.47 0.00 0.00 55.73 55.08 2kfs s ARG 94 Cb -0.11 -2.16 0.38 0.00 -0.57 0.00 0.00 34.95 32.50 2kfs s ARG 94 CO 0.00 -1.26 1.81 0.38 -1.08 0.00 0.00 175.30 175.14 2kfs h ASP 95 N -0.63 0.64 -0.72 -2.89 2.03 -1.92 -1.31 116.42 111.62 2kfs h ASP 95 Ca -0.44 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 55.89 2kfs h ASP 95 Cb 1.32 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 2kfs h ASP 95 CO 0.61 0.37 0.41 0.74 -1.03 0.00 0.00 179.24 180.34 2kfs h THR 96 N 0.76 1.21 -0.41 1.15 2.02 -1.87 -1.86 112.91 113.92 2kfs h THR 96 Ca 0.38 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 2kfs h THR 96 Cb 0.35 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2kfs h THR 96 CO -0.24 0.23 -0.14 -0.33 0.37 0.00 0.00 175.52 175.41 2kfs h GLU 97 N 0.99 0.76 -0.10 6.66 4.39 -1.61 -0.95 114.58 124.72 2kfs h GLU 97 Ca 0.25 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kfs h GLU 97 Cb 0.01 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2kfs h GLU 97 CO -0.04 0.86 0.06 0.82 -1.16 0.00 0.00 179.01 179.55 2kfs h ILE 98 N 0.68 1.07 0.00 3.13 1.08 -0.78 -1.92 117.51 120.77 2kfs h ILE 98 Ca 0.11 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2kfs h ILE 98 Cb 0.62 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2kfs h ILE 98 CO 0.04 0.06 -0.07 0.24 -0.69 0.00 0.00 178.15 177.73 2kfs h MET 99 N 0.09 0.00 0.72 2.37 2.86 -1.33 -2.85 114.93 116.79 2kfs h MET 99 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2kfs h MET 99 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kfs h MET 99 CO -0.01 0.07 -0.44 -0.09 1.06 0.00 0.00 176.91 177.50 2kfs h ARG 100 N 0.00 -1.05 -0.10 1.72 2.43 -0.34 -0.66 114.38 116.38 2kfs h ARG 100 Ca -0.00 0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2kfs h ARG 100 Cb 0.83 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2kfs h ARG 100 CO 0.01 -0.70 -0.44 0.11 -1.51 0.00 0.00 179.97 177.44 2kfs h TRP 101 N -1.09 0.29 -0.86 2.20 5.08 -1.62 -3.03 115.95 116.93 2kfs h TRP 101 Ca -0.10 -0.08 0.01 0.00 1.08 0.00 0.00 58.89 59.80 2kfs h TRP 101 Cb 0.87 -0.06 -0.04 0.00 -3.00 0.00 0.00 29.16 26.93 2kfs h TRP 101 CO -0.08 0.65 0.56 -0.07 -1.28 0.00 0.00 178.44 178.22 2kfs h LEU 102 N 0.20 0.99 0.00 0.11 3.38 -1.26 -2.59 115.31 116.14 2kfs h LEU 102 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 102 Cb 0.86 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kfs h LEU 102 CO 0.07 0.72 -0.37 0.49 0.09 0.00 0.00 178.44 179.44 2kfs n PHE 103 N -4.48 0.69 -2.98 1.13 3.01 -0.28 -2.39 117.46 112.18 2kfs n PHE 103 Ca 0.09 0.20 -0.41 0.00 1.01 0.00 0.00 57.45 58.34 2kfs n PHE 103 Cb 0.02 -0.76 -0.05 0.00 -0.01 0.00 0.00 39.48 38.68 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 -3.14 4.86 0.16 4.37 2.01 -0.98 -4.91 115.64 118.01 2kfs s THR 104 Ca 0.08 1.26 -0.34 0.00 0.31 0.00 0.00 61.69 63.00 2kfs s THR 104 Cb 0.13 -4.08 -0.15 0.00 0.01 0.00 0.00 72.50 68.41 2kfs s THR 104 CO 0.67 -0.13 1.46 -2.65 -0.69 0.00 0.00 174.62 173.28 2kfs n PRO 105 N 6.02 1.80 -3.17 4.92 -0.02 -1.26 -4.41 135.00 138.88 2kfs n PRO 105 Ca 0.03 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 2kfs n PRO 105 Cb 0.48 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 0.64 6.60 0.42 2.55 -1.08 0.49 -4.87 116.67 121.41 2kfs s ASP 106 Ca 0.78 0.73 0.28 0.00 -0.52 0.00 0.00 52.55 53.82 2kfs s ASP 106 Cb -0.76 -2.32 1.51 0.00 -1.46 0.00 0.00 42.92 39.89 2kfs s ASP 106 CO 0.43 -0.26 1.86 1.55 0.52 0.00 0.00 175.17 179.28 2kfs h PRO 107 N 7.59 0.00 -0.07 4.34 0.13 -1.92 -2.23 132.00 139.84 2kfs h PRO 107 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kfs h PRO 107 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kfs h PRO 107 CO 0.75 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.97 2kfs n SER 108 N -2.50 2.22 -4.69 1.44 2.88 -1.26 -4.76 113.62 106.96 2kfs n SER 108 Ca -0.02 -2.06 -0.35 0.00 -1.33 0.00 0.00 58.87 55.12 2kfs n SER 108 Cb 0.06 -0.07 -0.09 0.00 -0.75 0.00 0.00 64.21 63.36 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kfs s LEU 109 N -1.10 3.98 -0.14 2.46 2.96 -0.84 -4.99 118.68 121.02 2kfs s LEU 109 Ca 0.07 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2kfs s LEU 109 Cb 0.04 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.74 2kfs s LEU 109 CO 0.03 0.21 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.26 2kfs s THR 110 N 0.18 1.41 0.23 3.68 2.01 -1.26 -0.77 115.64 121.12 2kfs s THR 110 Ca 0.06 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2kfs s THR 110 Cb -0.12 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 2kfs s THR 110 CO -0.00 0.43 -0.02 0.27 -0.69 0.00 0.00 174.62 174.61 2kfs s ILE 111 N 1.53 1.08 0.44 1.82 -4.36 -0.50 -4.91 121.20 116.30 2kfs s ILE 111 Ca 0.04 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 2kfs s ILE 111 Cb -0.13 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 2kfs s ILE 111 CO -0.10 -0.36 0.72 0.28 0.24 0.00 0.00 174.94 175.72 2kfs s THR 112 N -3.39 4.95 0.28 8.37 -1.32 -1.26 0.23 115.64 123.50 2kfs s THR 112 Ca 0.27 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 60.87 2kfs s THR 112 Cb 0.05 -3.85 -0.06 0.00 -1.51 0.00 0.00 72.50 67.13 2kfs s THR 112 CO 0.08 -0.74 -0.02 -0.60 -2.21 0.00 0.00 174.62 171.13 2kfs s ARG 113 N -4.55 1.51 0.10 7.08 6.06 -1.15 -4.88 118.95 123.14 2kfs s ARG 113 Ca 0.46 -1.78 -0.21 0.00 -2.50 0.00 0.00 55.73 51.70 2kfs s ARG 113 Cb -0.10 -0.94 -0.07 0.00 0.06 0.00 0.00 34.95 33.89 2kfs s ARG 113 CO 0.41 -0.05 0.63 -0.51 -2.50 0.00 0.00 175.30 173.28 2kfs s ASP 114 N -3.42 7.14 0.00 -2.12 1.11 -1.26 -3.25 116.67 114.87 2kfs s ASP 114 Ca 0.31 1.36 0.00 0.00 0.18 0.00 0.00 52.55 54.40 2kfs s ASP 114 Cb 0.05 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.65 2kfs s ASP 114 CO 0.12 0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.32 2kfs n GLY 115 N 1.63 2.18 3.41 0.21 0.00 -1.26 -4.53 105.19 106.82 2kfs n GLY 115 Ca -0.09 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfs n SER 116 N 4.01 5.18 -0.35 1.61 3.41 -1.26 -4.83 113.62 121.39 2kfs n SER 116 Ca 0.00 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 2kfs n SER 116 Cb 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 2kfs n SER 116 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kfs n ARG 117 N 5.69 0.43 -1.67 4.33 0.00 -1.20 -3.93 116.66 120.31 2kfs n ARG 117 Ca 0.38 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.93 2kfs n ARG 117 Cb 0.42 -1.15 0.20 0.00 -0.00 0.00 0.00 32.46 31.94 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kfs s ASP 118 N -0.88 2.41 -0.17 2.89 1.01 -1.26 -4.40 116.67 116.26 2kfs s ASP 118 Ca 0.00 0.37 -0.20 0.00 0.71 0.00 0.00 52.55 53.42 2kfs s ASP 118 Cb 0.00 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.44 2kfs s ASP 118 CO 0.00 -3.18 0.61 0.00 0.21 0.00 0.00 175.17 172.80 2kfs s ALA 119 N -3.62 3.51 -0.26 5.23 0.00 -1.26 -2.93 121.76 122.42 2kfs s ALA 119 Ca 0.73 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 2kfs s ALA 119 Cb -0.05 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2kfs s ALA 119 CO 0.54 -0.41 0.08 0.08 0.00 0.00 0.00 175.76 176.05 2kfs s VAL 120 N 1.57 4.31 0.06 0.00 1.01 0.14 -4.94 120.40 122.54 2kfs s VAL 120 Ca 0.29 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 2kfs s VAL 120 Cb -0.16 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 2kfs s VAL 120 CO 0.11 0.27 0.53 -0.44 0.00 0.00 0.00 175.10 175.58 2kfs s SER 121 N 1.60 7.01 -0.81 3.32 0.01 -1.26 -1.41 113.70 122.16 2kfs s SER 121 Ca 0.06 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 58.50 2kfs s SER 121 Cb -0.16 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2kfs s SER 121 CO 0.04 0.28 0.75 -3.20 0.41 0.00 0.00 173.24 171.52 2kfs n ASN 122 N 1.76 -7.53 -4.87 2.44 2.85 0.05 -5.00 115.26 104.96 2kfs n ASN 122 Ca -0.11 -0.22 -0.29 0.00 -0.11 0.00 0.00 54.58 53.85 2kfs n ASN 122 Cb 0.51 -5.26 -0.03 0.00 1.24 0.00 0.00 39.78 36.24 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kfs s ALA 123 N -3.09 4.39 0.08 5.20 0.00 -1.25 -4.72 121.76 122.38 2kfs s ALA 123 Ca 0.10 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.97 2kfs s ALA 123 Cb -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 2kfs s ALA 123 CO 0.75 -0.32 0.66 1.03 0.00 0.00 0.00 175.76 177.88 2kfs s ARG 124 N -4.17 4.37 0.53 0.00 3.00 -1.26 -0.38 118.95 121.04 2kfs s ARG 124 Ca 0.23 0.90 0.23 0.00 0.00 0.00 0.00 55.73 57.09 2kfs s ARG 124 Cb -0.01 -3.28 1.36 0.00 0.00 0.00 0.00 34.95 33.02 2kfs s ARG 124 CO 0.15 0.52 2.04 -1.35 0.00 0.00 0.00 175.30 176.66 2kfs h PRO 125 N 4.83 0.00 -0.64 3.54 0.11 -1.75 -0.41 132.00 137.68 2kfs h PRO 125 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2kfs h PRO 125 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 125 CO 0.66 0.00 0.34 0.28 -0.21 0.00 0.00 178.00 179.07 2kfs h VAL 126 N 0.00 1.21 -0.24 3.15 2.07 -1.82 -1.54 116.25 119.07 2kfs h VAL 126 Ca 0.18 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 2kfs h VAL 126 Cb 0.71 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2kfs h VAL 126 CO -0.00 0.23 -0.30 -0.78 0.02 0.00 0.00 177.57 176.74 2kfs h ASP 127 N 0.88 0.49 -0.46 0.57 1.82 -1.42 -2.96 116.42 115.35 2kfs h ASP 127 Ca 0.23 -0.18 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 2kfs h ASP 127 Cb 0.06 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 2kfs h ASP 127 CO -0.03 0.78 0.11 0.00 -1.61 0.00 0.00 179.24 178.48 2kfs h ALA 128 N 1.26 1.22 -0.10 -0.78 0.00 -0.79 -2.27 119.26 117.80 2kfs h ALA 128 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2kfs h ALA 128 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kfs h ALA 128 CO 0.06 0.53 -0.45 1.37 0.00 0.00 0.00 179.25 180.76 2kfs h LEU 129 N 0.77 0.25 -1.10 0.00 8.10 -1.13 0.26 115.31 122.47 2kfs h LEU 129 Ca 0.17 -0.12 -0.04 0.00 0.11 0.00 0.00 57.88 58.00 2kfs h LEU 129 Cb 0.31 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2kfs h LEU 129 CO 0.00 0.68 -0.20 0.45 -4.11 0.00 0.00 178.44 175.26 2kfs h HIS 130 N 0.20 0.00 -0.01 0.17 3.86 -1.43 -1.75 115.15 116.19 2kfs h HIS 130 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kfs h HIS 130 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2kfs h HIS 130 CO 0.02 0.20 -0.01 0.00 0.86 0.00 0.00 177.93 179.00 2kfs n ALA 131 N -2.21 2.64 -2.17 2.45 0.00 -0.72 -4.87 120.51 115.62 2kfs n ALA 131 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 2kfs n ALA 131 Cb 0.42 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 2kfs n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfs n HIS 132 N -0.40 -0.66 -1.11 0.00 -0.00 -0.66 -4.86 115.22 107.54 2kfs n HIS 132 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.86 2kfs n HIS 132 Cb 0.24 -3.31 0.28 0.00 -0.00 0.00 0.00 29.99 27.20 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2kfs n GLN 133 N -2.60 3.30 -0.03 -0.41 6.02 0.00 -4.62 117.38 119.04 2kfs n GLN 133 Ca -0.19 -3.08 0.23 0.00 -0.01 0.00 0.00 57.00 53.96 2kfs n GLN 133 Cb 0.63 -2.14 0.72 0.00 1.02 0.00 0.00 30.24 30.47 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 2.23 2.49 -0.91 -1.58 0.00 -1.79 -0.33 119.26 119.36 2kfs h ALA 134 Ca 0.28 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2kfs h ALA 134 Cb 2.26 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 20.03 2kfs h ALA 134 CO 0.70 -0.83 0.57 0.00 0.00 0.00 0.00 179.25 179.69 2kfs h ARG 135 N 0.00 0.99 -0.28 0.00 3.08 -1.93 0.23 114.38 116.47 2kfs h ARG 135 Ca 0.30 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2kfs h ARG 135 Cb 1.32 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2kfs h ARG 135 CO -0.00 0.65 -0.13 0.93 -1.07 0.00 0.00 179.97 180.35 2kfs h GLU 136 N 1.02 0.47 -0.25 0.04 3.07 -1.44 0.11 114.58 117.59 2kfs h GLU 136 Ca 0.40 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 59.06 2kfs h GLU 136 Cb 0.22 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2kfs h GLU 136 CO -0.19 0.59 -0.11 0.28 -1.40 0.00 0.00 179.01 178.18 2kfs h VAL 137 N 0.43 1.30 -0.72 3.13 2.07 -1.09 -0.47 116.25 120.89 2kfs h VAL 137 Ca 0.08 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2kfs h VAL 137 Cb 0.49 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2kfs h VAL 137 CO 0.03 0.37 0.42 0.58 0.02 0.00 0.00 177.57 178.99 2kfs h VAL 138 N 0.24 1.21 -0.69 2.57 2.07 -0.25 0.15 116.25 121.55 2kfs h VAL 138 Ca 0.06 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2kfs h VAL 138 Cb 0.61 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2kfs h VAL 138 CO 0.04 0.22 0.42 -0.09 0.02 0.00 0.00 177.57 178.18 2kfs h ARG 139 N 0.99 0.79 -0.58 1.57 2.43 -0.60 0.26 114.38 119.24 2kfs h ARG 139 Ca 0.26 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2kfs h ARG 139 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2kfs h ARG 139 CO -0.05 0.52 0.01 0.00 -1.51 0.00 0.00 179.97 178.94 2kfs h ARG 140 N 0.81 0.99 -0.52 0.20 2.47 -0.33 -0.63 114.38 117.38 2kfs h ARG 140 Ca 0.29 -0.30 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2kfs h ARG 140 Cb 0.07 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2kfs h ARG 140 CO -0.13 0.97 0.32 0.00 0.56 0.00 0.00 179.97 181.69 2kfs h ALA 141 N 1.08 0.67 -0.58 0.04 0.00 0.06 0.18 119.26 120.71 2kfs h ALA 141 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kfs h ALA 141 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kfs h ALA 141 CO 0.03 0.03 0.26 1.96 0.00 0.00 0.00 179.25 181.53 2kfs h GLN 142 N 0.63 0.85 0.00 0.00 4.20 -0.74 -1.59 115.11 118.47 2kfs h GLN 142 Ca 0.21 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kfs h GLN 142 Cb 0.01 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2kfs h GLN 142 CO -0.09 0.71 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 2kfs h ALA 143 N 1.10 1.00 0.00 3.87 0.00 -0.38 0.13 119.26 124.97 2kfs h ALA 143 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2kfs h ALA 143 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kfs h ALA 143 CO -0.02 0.00 -0.95 0.52 0.00 0.00 0.00 179.25 178.80 2kfs h MET 144 N 0.00 0.00 0.00 0.00 2.86 -0.24 -3.38 114.93 114.17 2kfs h MET 144 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kfs h MET 144 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2kfs h MET 144 CO 0.00 0.09 -0.11 0.00 1.06 0.00 0.00 176.91 177.95 2kfs h ALA 145 N 1.85 0.00 0.00 6.32 0.00 -0.32 -3.51 119.26 123.60 2kfs h ALA 145 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kfs h ALA 145 Cb 1.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kfs h ALA 145 CO 0.01 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.03