#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 2.28 -0.30 0.03 0.04 -1.26 -5.04 135.00 130.75 2kfs s PRO 2 Ca 0.00 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 2kfs s PRO 2 Cb 0.00 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kfs s PRO 2 CO 0.00 -1.68 0.61 0.20 0.04 0.00 0.00 177.00 176.17 2kfs s GLY 3 N -2.44 -0.90 0.36 0.56 0.00 -1.26 -5.14 107.32 98.50 2kfs s GLY 3 Ca 0.69 2.01 -0.27 0.00 0.00 0.00 0.00 44.72 47.16 2kfs s GLY 3 CO 0.46 3.26 1.14 0.50 0.00 0.00 0.00 173.10 178.47 2kfs s ARG 4 N 2.87 4.26 -0.55 2.90 0.52 -1.26 -4.99 118.95 122.70 2kfs s ARG 4 Ca 0.12 1.81 -0.20 0.00 -0.52 0.00 0.00 55.73 56.94 2kfs s ARG 4 Cb -0.14 -2.83 0.07 0.00 0.52 0.00 0.00 34.95 32.57 2kfs s ARG 4 CO -0.20 -0.13 0.70 0.00 0.02 0.00 0.00 175.30 175.68 2kfs s ALA 5 N -1.36 3.36 0.18 2.13 0.00 -1.26 -5.04 121.76 119.78 2kfs s ALA 5 Ca 0.53 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.32 2kfs s ALA 5 Cb -0.31 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.26 2kfs s ALA 5 CO 0.39 -2.20 1.38 -2.14 0.00 0.00 0.00 175.76 173.19 2kfs s PRO 6 N 2.85 4.33 0.00 0.00 0.02 -1.26 -5.01 135.00 135.93 2kfs s PRO 6 Ca 0.16 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2kfs s PRO 6 Cb -0.20 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2kfs s PRO 6 CO 0.11 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2kfs n GLY 7 N 2.78 0.88 3.40 0.52 0.00 -1.26 -5.12 105.19 106.38 2kfs n GLY 7 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 8 N -1.00 -0.38 0.08 1.61 0.15 -1.26 -5.12 113.70 107.78 2kfs s SER 8 Ca 0.00 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.13 2kfs s SER 8 Cb 0.00 0.55 -0.08 0.00 -1.71 0.00 0.00 66.02 64.77 2kfs s SER 8 CO 0.00 -0.94 1.54 -0.89 1.20 0.00 0.00 173.24 174.16 2kfs s THR 9 N -3.79 3.13 0.58 6.45 2.01 -1.26 -4.94 115.64 117.82 2kfs s THR 9 Ca 0.03 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.50 2kfs s THR 9 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2kfs s THR 9 CO -0.11 0.02 1.28 -0.76 -0.69 0.00 0.00 174.62 174.36 2kfs s LEU 10 N 2.04 3.73 -0.06 4.42 1.43 -1.26 -4.98 118.68 124.00 2kfs s LEU 10 Ca 0.70 2.57 -0.24 0.00 -1.03 0.00 0.00 54.13 56.12 2kfs s LEU 10 Cb -0.38 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 2kfs s LEU 10 CO 0.31 -1.64 0.74 0.00 0.23 0.00 0.00 176.35 175.99 2kfs s ALA 11 N -1.43 3.32 -0.07 4.21 0.00 -1.26 -5.04 121.76 121.49 2kfs s ALA 11 Ca 0.76 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.93 2kfs s ALA 11 Cb -0.36 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2kfs s ALA 11 CO 0.40 -0.14 -0.14 1.03 0.00 0.00 0.00 175.76 176.91 2kfs s ARG 12 N 0.88 2.68 -0.16 0.00 1.81 -1.26 -5.10 118.95 117.82 2kfs s ARG 12 Ca 0.39 -0.68 -0.02 0.00 -1.72 0.00 0.00 55.73 53.70 2kfs s ARG 12 Cb -0.18 -2.44 -0.02 0.00 -0.45 0.00 0.00 34.95 31.86 2kfs s ARG 12 CO 0.19 0.55 -0.08 0.14 -0.68 0.00 0.00 175.30 175.42 2kfs s VAL 13 N -0.53 3.40 -0.55 3.52 -7.23 -1.26 -5.08 120.40 112.67 2kfs s VAL 13 Ca 0.07 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.60 2kfs s VAL 13 Cb -0.12 -2.47 0.14 0.00 0.56 0.00 0.00 36.38 34.49 2kfs s VAL 13 CO 0.01 0.50 0.45 -0.83 -0.31 0.00 0.00 175.10 174.92 2kfs s GLY 14 N 0.56 2.17 0.14 2.32 0.00 -1.26 -5.04 107.32 106.22 2kfs s GLY 14 Ca -0.06 -2.70 0.03 0.00 0.00 0.00 0.00 44.72 41.99 2kfs s GLY 14 CO 0.03 1.16 0.21 -1.35 0.00 0.00 0.00 173.10 173.15 2kfs s SER 15 N 2.71 5.98 -0.23 1.64 1.04 -1.26 -4.83 113.70 118.75 2kfs s SER 15 Ca 0.07 0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.33 2kfs s SER 15 Cb -0.25 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 2kfs s SER 15 CO -0.01 0.08 0.74 -0.63 0.98 0.00 0.00 173.24 174.40 2kfs s ILE 16 N -1.70 4.91 0.78 -1.02 -1.09 -0.99 -5.01 121.20 117.08 2kfs s ILE 16 Ca 0.33 1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 2kfs s ILE 16 Cb -0.11 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 2kfs s ILE 16 CO 0.26 -0.01 1.10 -2.16 -1.23 0.00 0.00 174.94 172.91 2kfs s PRO 17 N 2.54 2.23 0.08 2.79 0.04 -1.26 -4.82 135.00 136.60 2kfs s PRO 17 Ca 0.32 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.65 2kfs s PRO 17 Cb -0.16 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2kfs s PRO 17 CO 0.09 -1.50 0.71 0.00 0.04 0.00 0.00 177.00 176.34 2kfs s ALA 18 N -3.25 3.45 0.00 8.56 0.00 -1.26 -4.61 121.76 124.65 2kfs s ALA 18 Ca 0.60 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kfs s ALA 18 Cb -0.13 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2kfs s ALA 18 CO 0.53 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.90 2kfs n GLY 19 N 2.05 3.15 3.64 0.00 0.00 -1.14 -4.70 105.19 108.20 2kfs n GLY 19 Ca -0.05 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 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 0.12 6.22 0.02 1.61 2.15 -1.26 -1.43 116.67 124.11 2kfs s ASP 20 Ca 0.00 0.25 -0.30 0.00 0.43 0.00 0.00 52.55 52.92 2kfs s ASP 20 Cb 0.00 -2.16 -0.06 0.00 -0.30 0.00 0.00 42.92 40.40 2kfs s ASP 20 CO 0.00 -0.04 1.40 -0.62 -0.17 0.00 0.00 175.17 175.74 2kfs s ASP 21 N 1.27 6.85 -0.03 -0.34 -1.08 -1.25 -4.39 116.67 117.70 2kfs s ASP 21 Ca 0.12 2.15 0.22 0.00 -0.52 0.00 0.00 52.55 54.52 2kfs s ASP 21 Cb -0.15 -2.57 -0.33 0.00 -1.46 0.00 0.00 42.92 38.42 2kfs s ASP 21 CO 0.07 -0.70 0.48 0.52 0.52 0.00 0.00 175.17 176.06 2kfs n VAL 22 N 4.53 0.00 -2.96 1.11 0.31 -1.26 -4.98 118.33 115.08 2kfs n VAL 22 Ca 0.13 -0.48 -0.20 0.00 -0.01 0.00 0.00 64.34 63.78 2kfs n VAL 22 Cb 0.43 0.03 0.05 0.00 -0.91 0.00 0.00 33.84 33.44 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 -4.47 3.23 0.40 7.52 0.05 -1.26 -5.09 118.68 119.07 2kfs s LEU 23 Ca -0.08 -0.65 -0.17 0.00 0.05 0.00 0.00 54.13 53.29 2kfs s LEU 23 Cb 0.14 -1.98 -0.09 0.00 -2.05 0.00 0.00 46.19 42.21 2kfs s LEU 23 CO 0.89 -1.26 0.86 -1.81 -0.55 0.00 0.00 176.35 174.48 2kfs s ASP 24 N -4.59 6.78 0.61 1.48 1.01 -1.26 -4.95 116.67 115.75 2kfs s ASP 24 Ca 0.61 1.46 0.37 0.00 0.71 0.00 0.00 52.55 55.69 2kfs s ASP 24 Cb -0.07 -2.45 2.02 0.00 1.01 0.00 0.00 42.92 43.43 2kfs s ASP 24 CO 0.38 -0.35 2.26 -0.65 0.21 0.00 0.00 175.17 177.02 2kfs h PRO 25 N 1.78 0.00 -0.00 8.23 0.11 -2.00 -0.90 132.00 139.21 2kfs h PRO 25 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kfs h PRO 25 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 25 CO 0.63 0.02 -0.17 -0.25 -0.21 0.00 0.00 178.00 178.02 2kfs n ASP 26 N -3.37 0.27 -4.82 -2.05 8.00 -1.26 -4.84 116.55 108.48 2kfs n ASP 26 Ca -0.02 -0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.11 2kfs n ASP 26 Cb 0.12 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.83 3.53 -0.21 -1.24 0.41 -0.34 -4.93 118.70 113.08 2kfs s GLU 27 Ca 0.18 1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 55.55 2kfs s GLU 27 Cb 0.19 -2.07 -0.06 0.00 -1.78 0.00 0.00 34.13 30.41 2kfs s GLU 27 CO 0.56 -0.63 2.19 -0.35 -0.49 0.00 0.00 175.26 176.54 2kfs n PRO 28 N -1.94 1.95 -4.31 0.39 -0.04 -1.26 -4.94 135.00 124.85 2kfs n PRO 28 Ca 0.08 0.56 -0.16 0.00 -0.04 0.00 0.00 63.50 63.94 2kfs n PRO 28 Cb 0.53 -3.12 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kfs s THR 29 N 7.79 0.74 0.20 0.52 -4.23 -1.26 -1.43 115.64 117.97 2kfs s THR 29 Ca 1.01 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 2kfs s THR 29 Cb -0.41 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2kfs s THR 29 CO 0.38 -0.20 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.85 2kfs s TYR 30 N -3.62 1.59 0.13 3.99 2.02 0.13 -4.67 117.35 116.93 2kfs s TYR 30 Ca 0.32 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2kfs s TYR 30 Cb 0.07 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 2kfs s TYR 30 CO 0.10 0.20 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.71 2kfs s ASP 31 N -3.29 1.42 0.15 2.29 1.11 -1.26 -0.24 116.67 116.85 2kfs s ASP 31 Ca 0.23 -1.05 -0.27 0.00 0.18 0.00 0.00 52.55 51.64 2kfs s ASP 31 Cb 0.02 0.06 0.00 0.00 1.07 0.00 0.00 42.92 44.07 2kfs s ASP 31 CO 0.06 -0.44 1.58 -0.07 1.18 0.00 0.00 175.17 177.48 2kfs h LEU 32 N 2.83 -1.41 -1.37 1.23 3.38 -1.97 0.20 115.31 118.21 2kfs h LEU 32 Ca -0.36 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2kfs h LEU 32 Cb 1.18 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2kfs h LEU 32 CO 0.64 -0.37 -0.32 1.55 0.09 0.00 0.00 178.44 180.04 2kfs h PRO 33 N -0.32 0.00 -0.25 1.13 0.13 -1.98 -2.44 132.00 128.27 2kfs h PRO 33 Ca 0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 2kfs h PRO 33 Cb 0.58 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 2kfs h PRO 33 CO -0.57 0.32 -0.51 -0.09 -0.23 0.00 0.00 178.00 176.92 2kfs h ARG 34 N 0.00 0.71 -0.40 0.86 9.65 -1.46 0.13 114.38 123.87 2kfs h ARG 34 Ca -0.00 -0.43 -0.14 0.00 -1.10 0.00 0.00 59.98 58.31 2kfs h ARG 34 Cb 0.57 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2kfs h ARG 34 CO 0.04 1.05 -0.29 0.28 2.80 0.00 0.00 179.97 183.85 2kfs h VAL 35 N 0.56 1.28 -0.73 0.20 2.07 -0.51 0.40 116.25 119.52 2kfs h VAL 35 Ca 0.02 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2kfs h VAL 35 Cb 1.08 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2kfs h VAL 35 CO 0.11 0.49 0.45 0.00 0.02 0.00 0.00 177.57 178.63 2kfs h ALA 36 N 0.79 1.42 -0.21 1.67 0.00 -1.30 0.27 119.26 121.90 2kfs h ALA 36 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 36 Cb 0.87 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kfs h ALA 36 CO 0.08 0.51 -0.10 1.49 0.00 0.00 0.00 179.25 181.22 2kfs h GLU 37 N 1.00 0.45 0.06 0.00 4.57 -0.54 0.47 114.58 120.59 2kfs h GLU 37 Ca 0.26 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2kfs h GLU 37 Cb -0.06 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2kfs h GLU 37 CO -0.05 0.73 -0.03 1.25 -1.18 0.00 0.00 179.01 179.73 2kfs h LEU 38 N 0.15 -0.06 0.00 1.64 5.85 -0.33 -3.11 115.31 119.45 2kfs h LEU 38 Ca 0.05 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kfs h LEU 38 Cb 0.60 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2kfs h LEU 38 CO 0.03 0.11 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.83 2kfs h LEU 39 N -0.24 0.00 0.87 2.25 3.38 -1.02 -3.47 115.31 117.08 2kfs h LEU 39 Ca -0.01 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2kfs h LEU 39 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kfs h LEU 39 CO 0.01 0.03 -0.19 0.61 0.09 0.00 0.00 178.44 178.99 2kfs n GLY 40 N 1.25 0.10 3.35 0.83 0.00 0.10 -5.03 105.19 105.79 2kfs n GLY 40 Ca 0.04 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.42 1.66 0.74 1.61 -7.23 -0.85 -5.04 120.40 108.87 2kfs s VAL 41 Ca 0.02 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.89 2kfs s VAL 41 Cb -0.01 -2.09 0.04 0.00 0.56 0.00 0.00 36.38 34.88 2kfs s VAL 41 CO 0.02 -0.56 1.09 -2.16 -0.31 0.00 0.00 175.10 173.18 2kfs s PRO 42 N -3.67 2.46 0.43 4.82 0.04 -1.26 -4.37 135.00 133.45 2kfs s PRO 42 Ca 0.23 1.15 0.09 0.00 0.04 0.00 0.00 61.00 62.51 2kfs s PRO 42 Cb 0.00 -1.92 0.92 0.00 0.04 0.00 0.00 34.50 33.54 2kfs s PRO 42 CO 0.07 -1.48 2.04 0.28 0.04 0.00 0.00 177.00 177.95 2kfs h VAL 43 N -0.90 1.10 -0.89 -0.36 2.07 -1.93 -0.85 116.25 114.50 2kfs h VAL 43 Ca -0.44 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2kfs h VAL 43 Cb 1.23 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2kfs h VAL 43 CO 0.53 0.12 0.56 0.28 0.02 0.00 0.00 177.57 179.07 2kfs h SER 44 N 0.37 0.88 -0.04 0.57 0.02 -1.97 0.16 113.55 113.55 2kfs h SER 44 Ca 0.10 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 2kfs h SER 44 Cb 0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2kfs h SER 44 CO -0.01 0.56 -0.45 0.50 -1.14 0.00 0.00 176.83 176.29 2kfs h LYS 45 N 1.02 0.59 -0.76 3.45 3.64 -1.52 -0.99 116.57 121.99 2kfs h LYS 45 Ca 0.39 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2kfs h LYS 45 Cb 0.17 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2kfs h LYS 45 CO -0.17 0.92 0.33 0.28 -2.27 0.00 0.00 179.45 178.54 2kfs h VAL 46 N 0.47 1.25 -0.44 2.00 2.07 -0.99 -1.75 116.25 118.86 2kfs h VAL 46 Ca 0.03 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2kfs h VAL 46 Cb 0.97 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2kfs h VAL 46 CO 0.09 0.31 0.09 0.00 0.02 0.00 0.00 177.57 178.07 2kfs h ALA 47 N 1.17 1.34 -0.82 1.67 0.00 -0.32 -2.32 119.26 119.99 2kfs h ALA 47 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kfs h ALA 47 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2kfs h ALA 47 CO -0.03 0.47 0.47 1.96 0.00 0.00 0.00 179.25 182.12 2kfs h GLN 48 N 0.64 1.12 -0.32 0.00 1.08 -0.32 -0.42 115.11 116.90 2kfs h GLN 48 Ca 0.14 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2kfs h GLN 48 Cb 0.27 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2kfs h GLN 48 CO -0.00 0.81 0.17 1.96 -0.95 0.00 0.00 178.83 180.82 2kfs h GLN 49 N 1.13 0.35 -0.31 1.46 1.08 -0.91 -1.63 115.11 116.28 2kfs h GLN 49 Ca 0.29 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 2kfs h GLN 49 Cb -0.01 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2kfs h GLN 49 CO -0.05 0.23 -0.02 1.25 -0.95 0.00 0.00 178.83 179.29 2kfs h LEU 50 N 0.36 0.45 -0.96 1.46 5.85 -1.03 0.17 115.31 121.61 2kfs h LEU 50 Ca 0.13 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2kfs h LEU 50 Cb 0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kfs h LEU 50 CO -0.07 0.53 -0.25 0.03 -0.34 0.00 0.00 178.44 178.34 2kfs h ARG 51 N 0.46 0.47 0.00 1.25 -0.00 -0.38 -2.57 114.38 113.61 2kfs h ARG 51 Ca 0.10 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2kfs h ARG 51 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.27 2kfs h ARG 51 CO 0.01 0.68 -0.48 0.39 0.00 0.00 0.00 179.97 180.57 2kfs n GLU 52 N -4.13 0.10 -1.85 0.04 -0.58 -0.68 -4.18 120.64 109.36 2kfs n GLU 52 Ca -0.00 0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kfs n GLU 52 Cb 0.40 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfs n GLY 53 N 1.44 0.37 0.01 0.62 0.00 -0.43 -4.93 105.19 102.27 2kfs n GLY 53 Ca 0.05 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.85 0.06 -3.49 1.61 -0.00 0.45 -4.71 115.22 105.29 2kfs n HIS 54 Ca -0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 2kfs n HIS 54 Cb 0.43 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 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 -3.13 -0.33 0.13 0.27 2.96 -1.22 -4.31 118.68 113.05 2kfs s LEU 55 Ca 0.11 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2kfs s LEU 55 Cb 0.17 2.38 -0.04 0.00 0.50 0.00 0.00 46.19 49.21 2kfs s LEU 55 CO 0.69 -0.87 -0.14 0.68 -1.32 0.00 0.00 176.35 175.38 2kfs s VAL 56 N -3.28 1.40 0.18 1.68 -7.23 -1.26 -4.25 120.40 107.64 2kfs s VAL 56 Ca -0.01 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 2kfs s VAL 56 Cb -0.00 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2kfs s VAL 56 CO -0.09 -0.44 -0.16 0.00 -0.31 0.00 0.00 175.10 174.11 2kfs s ALA 57 N -2.28 1.92 0.21 1.32 0.00 -1.26 -4.67 121.76 117.00 2kfs s ALA 57 Ca 0.11 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.57 2kfs s ALA 57 Cb -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2kfs s ALA 57 CO 0.03 0.13 -0.02 0.14 0.00 0.00 0.00 175.76 176.04 2kfs s VAL 58 N -2.51 1.01 -0.15 0.00 -7.23 0.35 -2.90 120.40 108.97 2kfs s VAL 58 Ca 0.18 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2kfs s VAL 58 Cb -0.03 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.70 2kfs s VAL 58 CO 0.06 -0.42 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.65 2kfs s ARG 59 N -3.85 2.64 -0.25 4.82 3.52 -0.51 -0.21 118.95 125.11 2kfs s ARG 59 Ca 0.26 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2kfs s ARG 59 Cb 0.05 -2.27 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2kfs s ARG 59 CO 0.07 -0.14 -0.08 -0.98 -0.81 0.00 0.00 175.30 173.35 2kfs s ARG 60 N 1.17 2.64 0.00 5.12 1.70 0.45 -3.75 118.95 126.27 2kfs s ARG 60 Ca -0.00 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 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 -0.07 -0.45 0.00 0.00 -1.08 0.00 0.00 175.30 173.70 2kfs n ALA 61 N 4.59 0.00 0.00 7.88 0.00 -1.26 -1.12 120.51 130.60 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 0.00 3.89 0.00 0.00 -1.26 -5.14 105.19 102.68 2kfs n GLY 62 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.21 -0.26 -0.02 0.00 -0.28 -5.06 107.32 103.91 2kfs s GLY 63 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 2kfs s GLY 63 CO 0.00 -0.51 0.32 0.14 0.00 0.00 0.00 173.10 173.05 2kfs s VAL 64 N -1.32 5.22 0.22 1.40 1.01 -1.26 -0.41 120.40 125.26 2kfs s VAL 64 Ca 0.28 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.76 2kfs s VAL 64 Cb -0.13 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2kfs s VAL 64 CO 0.17 0.20 -0.01 0.68 0.00 0.00 0.00 175.10 176.14 2kfs s VAL 65 N 1.85 1.02 -0.08 2.92 -7.23 0.71 -4.07 120.40 115.52 2kfs s VAL 65 Ca 0.13 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2kfs s VAL 65 Cb -0.16 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 2kfs s VAL 65 CO 0.10 -0.38 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.65 2kfs s ILE 66 N -3.43 1.92 -0.07 -0.62 -1.09 0.67 -0.50 121.20 118.09 2kfs s ILE 66 Ca 0.27 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 2kfs s ILE 66 Cb 0.05 -1.65 -0.05 0.00 -1.58 0.00 0.00 42.46 39.23 2kfs s ILE 66 CO 0.08 0.53 1.66 -2.84 -1.23 0.00 0.00 174.94 173.13 2kfs s PRO 67 N 0.17 4.14 0.55 2.79 0.02 -1.26 0.23 135.00 141.62 2kfs s PRO 67 Ca -0.12 2.14 0.28 0.00 0.02 0.00 0.00 61.00 63.32 2kfs s PRO 67 Cb -0.16 -3.99 1.59 0.00 0.02 0.00 0.00 34.50 31.96 2kfs s PRO 67 CO 0.06 -0.90 2.14 0.37 -0.33 0.00 0.00 177.00 178.34 2kfs h GLN 68 N 9.70 0.00 0.00 5.54 4.15 -1.51 -1.59 115.11 131.40 2kfs h GLN 68 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2kfs h GLN 68 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2kfs h GLN 68 CO 0.96 0.07 0.00 1.33 -1.93 0.00 0.00 178.83 179.26 2kfs n VAL 69 N -3.72 1.42 1.35 2.39 0.24 -1.26 -0.93 118.33 117.83 2kfs n VAL 69 Ca -0.02 0.35 0.14 0.00 -2.04 0.00 0.00 64.34 62.78 2kfs n VAL 69 Cb 0.18 -1.22 0.69 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.48 0.00 -4.20 6.34 3.01 -0.60 -4.64 117.46 115.89 2kfs n PHE 70 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 2kfs n PHE 70 Cb 0.09 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.62 2.84 1.00 1.38 0.40 -0.11 -3.22 117.98 117.66 2kfs s PHE 71 Ca 0.26 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.30 2kfs s PHE 71 Cb 0.20 -1.38 0.20 0.00 0.51 0.00 0.00 43.02 42.54 2kfs s PHE 71 CO 0.48 0.51 1.23 0.95 0.70 0.00 0.00 175.22 179.10 2kfs s THR 72 N -1.70 1.91 0.48 0.64 -4.23 0.11 -4.85 115.64 107.99 2kfs s THR 72 Ca 0.27 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.96 2kfs s THR 72 Cb -0.09 -2.84 0.34 0.00 1.34 0.00 0.00 72.50 71.25 2kfs s THR 72 CO 0.18 0.00 2.01 0.78 -0.54 0.00 0.00 174.62 177.05 2kfs h ASN 73 N -1.79 0.19 0.26 3.99 2.35 -1.89 0.77 115.58 119.45 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2kfs h ASN 73 Cb 1.27 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2kfs h ASN 73 CO 0.43 0.11 -0.00 -1.20 -1.65 0.00 0.00 177.43 175.12 2kfs n SER 74 N -4.45 0.02 -0.95 5.81 7.64 -1.26 -4.89 113.62 115.54 2kfs n SER 74 Ca 0.08 -0.62 -0.07 0.00 1.01 0.00 0.00 58.87 59.27 2kfs n SER 74 Cb 0.41 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 1.13 0.18 3.56 0.23 0.00 0.26 -5.04 105.19 105.52 2kfs n GLY 75 Ca 0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2kfs n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfs s GLN 76 N -4.61 2.01 0.15 1.61 -0.21 -1.26 -4.82 119.66 112.54 2kfs s GLN 76 Ca 0.05 -1.46 -0.31 0.00 0.02 0.00 0.00 55.36 53.65 2kfs s GLN 76 Cb -0.02 -2.04 -0.09 0.00 1.00 0.00 0.00 33.01 31.86 2kfs s GLN 76 CO 0.06 0.38 1.49 0.08 -2.12 0.00 0.00 175.29 175.18 2kfs s VAL 77 N -2.12 2.89 0.22 1.09 1.01 -1.26 0.04 120.40 122.27 2kfs s VAL 77 Ca 0.28 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.59 2kfs s VAL 77 Cb -0.07 -3.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 2kfs s VAL 77 CO 0.16 0.05 1.56 -0.69 0.00 0.00 0.00 175.10 176.19 2kfs s VAL 78 N 1.05 2.42 0.56 2.92 1.01 -1.20 -4.83 120.40 122.34 2kfs s VAL 78 Ca 0.67 0.33 0.25 0.00 0.00 0.00 0.00 61.98 63.23 2kfs s VAL 78 Cb -0.41 -3.21 0.34 0.00 0.00 0.00 0.00 36.38 33.11 2kfs s VAL 78 CO 0.32 0.04 2.11 0.07 0.00 0.00 0.00 175.10 177.64 2kfs h LYS 79 N 5.95 0.00 -0.01 2.72 2.10 -1.94 0.11 116.57 125.49 2kfs h LYS 79 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2kfs h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2kfs h LYS 79 CO 0.86 0.00 -0.12 0.43 -2.00 0.00 0.00 179.45 178.62 2kfs n SER 80 N -4.10 1.14 0.35 7.07 7.64 -1.26 -4.35 113.62 120.11 2kfs n SER 80 Ca 0.01 -1.13 -0.17 0.00 1.01 0.00 0.00 58.87 58.59 2kfs n SER 80 Cb 0.29 0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 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 1.60 -0.74 -1.14 -3.43 5.85 -1.14 0.78 115.31 117.09 2kfs h LEU 81 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2kfs h LEU 81 Cb 0.47 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 2kfs h LEU 81 CO 0.00 -0.48 0.60 1.55 -0.34 0.00 0.00 178.44 179.77 2kfs h PRO 82 N -0.96 0.94 -0.45 5.25 0.13 -1.76 -0.78 132.00 134.37 2kfs h PRO 82 Ca -0.09 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2kfs h PRO 82 Cb 0.70 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2kfs h PRO 82 CO 0.15 0.62 0.22 0.78 -0.23 0.00 0.00 178.00 179.54 2kfs h GLY 83 N 0.96 0.68 1.05 1.56 0.00 -1.71 0.24 103.07 105.85 2kfs h GLY 83 Ca 0.42 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 2kfs h GLY 83 CO -0.18 0.32 -0.21 0.17 0.00 0.00 0.00 176.54 176.63 2kfs h LEU 84 N 0.58 0.90 -1.15 3.11 8.10 -0.30 -2.51 115.31 124.04 2kfs h LEU 84 Ca 0.15 -0.41 -0.05 0.00 0.11 0.00 0.00 57.88 57.69 2kfs h LEU 84 Cb 0.10 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.05 2kfs h LEU 84 CO -0.02 1.11 0.07 -0.07 -4.11 0.00 0.00 178.44 175.42 2kfs h LEU 85 N 0.69 0.62 -0.48 0.17 3.38 -0.78 -1.79 115.31 117.12 2kfs h LEU 85 Ca 0.09 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2kfs h LEU 85 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2kfs h LEU 85 CO 0.06 0.64 -0.10 0.74 0.09 0.00 0.00 178.44 179.88 2kfs h THR 86 N 0.64 1.27 -0.49 0.22 2.02 -0.36 0.20 112.91 116.41 2kfs h THR 86 Ca 0.14 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 65.97 2kfs h THR 86 Cb 0.30 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2kfs h THR 86 CO 0.00 0.42 -0.19 -0.29 0.37 0.00 0.00 175.52 175.84 2kfs h ILE 87 N 0.76 1.27 -0.32 3.11 -0.00 -1.04 -0.35 117.51 120.94 2kfs h ILE 87 Ca 0.12 -1.35 -0.11 0.00 -0.00 0.00 0.00 64.86 63.52 2kfs h ILE 87 Cb 0.65 1.11 -0.01 0.00 -0.00 0.00 0.00 36.82 38.56 2kfs h ILE 87 CO 0.04 0.47 -0.24 -0.07 -0.00 0.00 0.00 178.15 178.35 2kfs h LEU 88 N 0.85 0.63 -1.39 2.19 -0.00 -1.25 -2.65 115.31 113.69 2kfs h LEU 88 Ca 0.11 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.73 2kfs h LEU 88 Cb 0.77 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 2kfs h LEU 88 CO 0.06 0.86 -0.04 -0.74 -0.00 0.00 0.00 178.44 178.59 2kfs h HIS 89 N 0.55 0.37 0.00 1.13 2.76 -0.31 0.15 115.15 119.81 2kfs h HIS 89 Ca 0.08 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 2kfs h HIS 89 Cb 0.71 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2kfs h HIS 89 CO 0.03 0.41 -0.16 0.22 -1.30 0.00 0.00 177.93 177.13 2kfs h ASP 90 N 0.35 0.00 0.07 3.26 1.82 -0.71 -1.43 116.42 119.78 2kfs h ASP 90 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2kfs h ASP 90 Cb 0.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2kfs h ASP 90 CO 0.01 0.16 -0.86 0.61 -1.61 0.00 0.00 179.24 177.55 2kfs n GLY 91 N -1.08 -0.91 1.60 -0.78 0.00 -0.49 -4.98 105.19 98.55 2kfs n GLY 91 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.49 0.65 3.70 -0.02 0.00 0.32 -5.03 105.19 106.30 2kfs n GLY 92 Ca 0.05 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.56 0.83 1.61 1.51 0.07 -4.97 117.35 117.95 2kfs s TYR 93 Ca 0.00 1.40 -0.13 0.00 -1.01 0.00 0.00 57.07 57.33 2kfs s TYR 93 Cb 0.00 -2.97 0.10 0.00 -0.11 0.00 0.00 41.96 38.98 2kfs s TYR 93 CO 0.00 -0.04 1.20 -0.98 -1.11 0.00 0.00 175.55 174.62 2kfs s ARG 94 N 1.26 1.78 0.24 -0.62 1.70 -1.26 -4.50 118.95 117.55 2kfs s ARG 94 Ca 0.42 0.04 -0.04 0.00 -0.47 0.00 0.00 55.73 55.68 2kfs s ARG 94 Cb -0.18 -1.94 0.40 0.00 -0.57 0.00 0.00 34.95 32.66 2kfs s ARG 94 CO 0.19 -1.71 1.79 0.38 -1.08 0.00 0.00 175.30 174.87 2kfs h ASP 95 N -1.14 0.57 -0.81 -2.89 2.03 -1.91 -0.88 116.42 111.39 2kfs h ASP 95 Ca -0.46 0.06 0.01 0.00 -0.73 0.00 0.00 57.03 55.91 2kfs h ASP 95 Cb 1.32 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.74 2kfs h ASP 95 CO 0.62 0.31 0.53 0.74 -1.03 0.00 0.00 179.24 180.41 2kfs h THR 96 N 0.69 1.21 -0.67 1.15 2.02 -1.94 -1.69 112.91 113.68 2kfs h THR 96 Ca 0.39 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2kfs h THR 96 Cb 0.43 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2kfs h THR 96 CO -0.28 0.20 0.11 -0.33 0.37 0.00 0.00 175.52 175.59 2kfs h GLU 97 N 1.10 1.10 -0.25 6.66 4.39 -1.55 -1.43 114.58 124.59 2kfs h GLU 97 Ca 0.30 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kfs h GLU 97 Cb -0.13 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 2kfs h GLU 97 CO -0.06 1.00 0.16 0.82 -1.16 0.00 0.00 179.01 179.77 2kfs h ILE 98 N 1.03 1.07 0.00 3.13 1.08 -0.59 -1.84 117.51 121.39 2kfs h ILE 98 Ca 0.20 -0.14 -0.07 0.00 -0.39 0.00 0.00 64.86 64.46 2kfs h ILE 98 Cb 0.44 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2kfs h ILE 98 CO 0.01 0.07 -0.35 0.24 -0.69 0.00 0.00 178.15 177.43 2kfs h MET 99 N 0.33 0.00 0.32 2.37 2.86 -1.13 -2.80 114.93 116.87 2kfs h MET 99 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kfs h MET 99 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2kfs h MET 99 CO -0.02 0.35 -0.19 0.00 1.06 0.00 0.00 176.91 178.11 2kfs h ARG 100 N 0.00 -0.46 -0.12 1.72 3.08 -0.38 -0.10 114.38 118.13 2kfs h ARG 100 Ca -0.00 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2kfs h ARG 100 Cb 0.81 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2kfs h ARG 100 CO 0.05 -0.31 -0.37 0.11 -1.07 0.00 0.00 179.97 178.38 2kfs h TRP 101 N -0.48 0.28 -0.51 3.04 5.08 -1.65 -2.94 115.95 118.78 2kfs h TRP 101 Ca -0.04 -0.07 -0.12 0.00 1.08 0.00 0.00 58.89 59.74 2kfs h TRP 101 Cb 0.38 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 26.46 2kfs h TRP 101 CO 0.04 0.58 -0.14 1.25 -1.28 0.00 0.00 178.44 178.89 2kfs h LEU 102 N 0.21 1.01 -0.33 0.11 5.85 -1.46 -2.66 115.31 118.03 2kfs h LEU 102 Ca 0.02 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2kfs h LEU 102 Cb 0.75 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kfs h LEU 102 CO 0.06 1.14 -0.08 0.49 -0.34 0.00 0.00 178.44 179.71 2kfs n PHE 103 N -4.16 0.00 -2.90 1.25 3.01 -0.05 -2.69 117.46 111.91 2kfs n PHE 103 Ca 0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 2kfs n PHE 103 Cb 0.42 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 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 -2.30 4.57 0.33 4.37 2.01 -1.01 -4.92 115.64 118.69 2kfs s THR 104 Ca 0.34 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 2kfs s THR 104 Cb 0.21 -4.38 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 2kfs s THR 104 CO 0.43 -0.78 1.34 -2.84 -0.69 0.00 0.00 174.62 172.08 2kfs s PRO 105 N 3.51 4.31 -0.29 4.92 0.02 -1.26 -4.51 135.00 141.71 2kfs s PRO 105 Ca 0.33 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.50 2kfs s PRO 105 Cb -0.11 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2kfs s PRO 105 CO 0.24 -0.25 0.23 0.34 -0.33 0.00 0.00 177.00 177.23 2kfs s ASP 106 N -0.38 6.06 0.60 2.53 -1.08 -0.92 -4.93 116.67 118.54 2kfs s ASP 106 Ca 0.50 -0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.82 2kfs s ASP 106 Cb -0.41 -2.14 1.87 0.00 -1.46 0.00 0.00 42.92 40.78 2kfs s ASP 106 CO 0.54 -0.10 2.27 -0.65 0.52 0.00 0.00 175.17 177.74 2kfs h PRO 107 N 8.36 0.00 -0.44 4.34 0.11 -1.92 -1.57 132.00 140.88 2kfs h PRO 107 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2kfs h PRO 107 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 2kfs n SER 108 N -3.79 3.21 -4.65 -2.05 3.41 -1.26 -3.92 113.62 104.57 2kfs n SER 108 Ca -0.03 -1.95 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 2kfs n SER 108 Cb 0.08 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.06 3.90 -0.29 1.04 2.96 -0.59 -4.89 118.68 119.74 2kfs s LEU 109 Ca 0.32 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2kfs s LEU 109 Cb 0.17 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2kfs s LEU 109 CO 0.23 0.16 0.02 -0.89 -1.32 0.00 0.00 176.35 174.56 2kfs s THR 110 N 0.44 3.37 0.07 3.68 2.01 -1.26 0.25 115.64 124.21 2kfs s THR 110 Ca 0.04 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.07 2kfs s THR 110 Cb -0.12 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 2kfs s THR 110 CO 0.00 0.01 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.12 2kfs s ILE 111 N 1.37 2.71 0.03 1.82 -1.09 -0.16 -4.88 121.20 121.00 2kfs s ILE 111 Ca -0.01 -1.35 0.05 0.00 -2.23 0.00 0.00 60.65 57.12 2kfs s ILE 111 Cb -0.18 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 2kfs s ILE 111 CO -0.00 0.25 -0.13 0.28 -1.23 0.00 0.00 174.94 174.11 2kfs s THR 112 N -0.99 3.20 0.05 2.92 -1.32 -1.26 0.21 115.64 118.44 2kfs s THR 112 Ca 0.15 -1.01 -0.05 0.00 -1.21 0.00 0.00 61.69 59.57 2kfs s THR 112 Cb -0.10 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 2kfs s THR 112 CO 0.07 0.35 0.29 -0.60 -2.21 0.00 0.00 174.62 172.52 2kfs s ARG 113 N -1.47 3.58 0.07 7.08 3.52 -1.22 -4.90 118.95 125.61 2kfs s ARG 113 Ca 0.16 -0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.33 2kfs s ARG 113 Cb -0.11 -3.01 -0.07 0.00 -1.56 0.00 0.00 34.95 30.20 2kfs s ARG 113 CO 0.07 0.59 1.48 0.34 -0.81 0.00 0.00 175.30 176.97 2kfs s ASP 114 N -2.01 6.75 0.00 -2.12 2.15 -1.26 -1.88 116.67 118.31 2kfs s ASP 114 Ca 0.32 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.63 2kfs s ASP 114 Cb -0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2kfs s ASP 114 CO 0.20 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2kfs n GLY 115 N 3.70 0.82 3.45 2.66 0.00 -1.26 -5.00 105.19 109.55 2kfs n GLY 115 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 116 N -2.14 0.18 0.00 1.61 0.15 -0.79 -5.04 113.70 107.67 2kfs s SER 116 Ca 0.00 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2kfs s SER 116 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2kfs s SER 116 CO 0.00 -1.07 0.33 -2.11 1.20 0.00 0.00 173.24 171.59 2kfs n ARG 117 N -0.38 0.38 -2.77 5.44 -4.01 -1.26 -4.69 116.66 109.36 2kfs n ARG 117 Ca 0.00 -0.33 -0.41 0.00 -1.04 0.00 0.00 57.85 56.07 2kfs n ARG 117 Cb 0.63 -0.81 -0.04 0.00 -3.04 0.00 0.00 32.46 29.20 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kfs s ASP 118 N -0.15 7.42 -0.18 2.89 1.01 -1.26 -4.97 116.67 121.43 2kfs s ASP 118 Ca 0.00 1.70 -0.07 0.00 0.71 0.00 0.00 52.55 54.89 2kfs s ASP 118 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kfs s ASP 118 CO 0.00 -0.09 0.05 0.00 0.21 0.00 0.00 175.17 175.34 2kfs s ALA 119 N 0.20 3.33 -0.21 5.23 0.00 -1.26 -3.37 121.76 125.67 2kfs s ALA 119 Ca 0.46 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2kfs s ALA 119 Cb -0.22 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2kfs s ALA 119 CO 0.28 0.14 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 2kfs s VAL 120 N 0.45 2.84 0.05 0.00 1.01 0.13 -4.94 120.40 119.94 2kfs s VAL 120 Ca 0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2kfs s VAL 120 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2kfs s VAL 120 CO 0.01 0.41 0.96 -0.44 0.00 0.00 0.00 175.10 176.04 2kfs s SER 121 N 1.38 7.41 -0.15 3.32 0.01 -1.26 -0.99 113.70 123.43 2kfs s SER 121 Ca 0.04 1.70 -0.01 0.00 1.31 0.00 0.00 55.95 58.99 2kfs s SER 121 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2kfs s SER 121 CO -0.07 -0.16 0.15 -3.20 0.41 0.00 0.00 173.24 170.38 2kfs n ASN 122 N 3.37 -3.35 -4.64 2.44 5.15 0.14 -4.96 115.26 113.40 2kfs n ASN 122 Ca 0.04 0.03 -0.26 0.00 -0.60 0.00 0.00 54.58 53.78 2kfs n ASN 122 Cb 0.50 -2.00 -0.09 0.00 -0.53 0.00 0.00 39.78 37.65 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 -2.52 3.24 -0.17 5.20 0.00 -1.14 -4.87 121.76 121.51 2kfs s ALA 123 Ca 0.02 -2.15 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 2kfs s ALA 123 Cb -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2kfs s ALA 123 CO 0.17 -0.06 0.44 -0.98 0.00 0.00 0.00 175.76 175.34 2kfs s ARG 124 N -3.74 4.24 0.65 0.00 1.70 -1.26 -2.17 118.95 118.37 2kfs s ARG 124 Ca 0.36 0.32 0.34 0.00 -0.47 0.00 0.00 55.73 56.28 2kfs s ARG 124 Cb 0.05 -3.50 1.85 0.00 -0.57 0.00 0.00 34.95 32.79 2kfs s ARG 124 CO 0.19 0.03 2.08 -1.35 -1.08 0.00 0.00 175.30 175.17 2kfs h PRO 125 N 7.11 0.00 -0.52 3.89 0.11 -1.78 -1.92 132.00 138.90 2kfs h PRO 125 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kfs h PRO 125 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2kfs h PRO 125 CO 0.74 0.00 0.33 0.28 -0.21 0.00 0.00 178.00 179.14 2kfs h VAL 126 N 0.00 1.14 0.00 3.15 2.07 -1.88 -2.28 116.25 118.45 2kfs h VAL 126 Ca 0.03 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2kfs h VAL 126 Cb 0.48 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2kfs h VAL 126 CO -0.00 0.14 -0.55 -0.78 0.02 0.00 0.00 177.57 176.40 2kfs h ASP 127 N 0.70 0.00 -0.57 0.57 3.58 -1.68 -2.89 116.42 116.12 2kfs h ASP 127 Ca 0.19 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2kfs h ASP 127 Cb -0.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2kfs h ASP 127 CO -0.04 0.55 0.27 0.00 -2.88 0.00 0.00 179.24 177.14 2kfs h ALA 128 N 1.45 0.74 -0.21 -0.78 0.00 -1.38 0.16 119.26 119.24 2kfs h ALA 128 Ca -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2kfs h ALA 128 Cb 1.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kfs h ALA 128 CO 0.07 0.31 -0.41 1.37 0.00 0.00 0.00 179.25 180.59 2kfs h LEU 129 N 0.77 0.51 -1.64 0.00 8.10 -1.31 0.36 115.31 122.10 2kfs h LEU 129 Ca 0.19 -0.22 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2kfs h LEU 129 Cb 0.13 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2kfs h LEU 129 CO -0.02 0.86 -0.18 -0.74 -4.11 0.00 0.00 178.44 174.25 2kfs h HIS 130 N 0.40 0.00 -0.57 0.17 2.76 -1.28 -0.77 115.15 115.86 2kfs h HIS 130 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kfs h HIS 130 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.84 2kfs h HIS 130 CO 0.03 0.18 0.00 0.00 -1.30 0.00 0.00 177.93 176.84 2kfs n ALA 131 N -2.30 2.41 -2.15 5.26 0.00 0.52 -4.60 120.51 119.65 2kfs n ALA 131 Ca -0.01 -1.05 -0.15 0.00 0.00 0.00 0.00 53.44 52.22 2kfs n ALA 131 Cb 0.30 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 1.30 -0.61 -1.16 0.00 -0.00 -0.29 -4.64 115.22 109.82 2kfs n HIS 132 Ca 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.89 2kfs n HIS 132 Cb 0.53 -3.12 0.26 0.00 -0.00 0.00 0.00 29.99 27.65 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 -2.50 2.90 0.06 -0.41 6.02 0.12 -4.67 117.38 118.89 2kfs n GLN 133 Ca -0.18 -3.05 0.21 0.00 -0.01 0.00 0.00 57.00 53.98 2kfs n GLN 133 Cb 0.62 -2.01 0.72 0.00 1.02 0.00 0.00 30.24 30.58 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 1.86 2.20 -0.79 -1.58 0.00 -1.78 -1.51 119.26 117.66 2kfs h ALA 134 Ca 0.22 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2kfs h ALA 134 Cb 1.98 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 2kfs h ALA 134 CO 0.55 -0.77 0.42 0.00 0.00 0.00 0.00 179.25 179.45 2kfs h ARG 135 N 0.00 0.66 0.00 0.00 2.47 -1.92 0.25 114.38 115.83 2kfs h ARG 135 Ca 0.23 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.82 2kfs h ARG 135 Cb 1.28 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 2kfs h ARG 135 CO -0.00 0.44 -0.40 0.93 0.56 0.00 0.00 179.97 181.49 2kfs h GLU 136 N 0.68 0.00 -0.01 0.04 4.39 -1.68 -0.32 114.58 117.69 2kfs h GLU 136 Ca 0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2kfs h GLU 136 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2kfs h GLU 136 CO -0.29 0.40 -0.04 0.28 -1.16 0.00 0.00 179.01 178.21 2kfs h VAL 137 N 0.00 1.52 -0.90 3.13 2.07 -1.18 -2.34 116.25 118.54 2kfs h VAL 137 Ca -0.00 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 65.96 2kfs h VAL 137 Cb 0.82 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 2kfs h VAL 137 CO 0.05 0.42 0.59 0.58 0.02 0.00 0.00 177.57 179.23 2kfs h VAL 138 N -0.60 1.17 -0.45 2.57 2.07 -0.48 0.43 116.25 120.96 2kfs h VAL 138 Ca -0.00 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2kfs h VAL 138 Cb 0.70 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2kfs h VAL 138 CO 0.01 0.21 0.18 -0.09 0.02 0.00 0.00 177.57 177.90 2kfs h ARG 139 N 1.16 0.36 -0.36 1.57 2.43 -1.05 0.27 114.38 118.75 2kfs h ARG 139 Ca 0.35 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2kfs h ARG 139 Cb -0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2kfs h ARG 139 CO -0.10 0.24 -0.25 0.00 -1.51 0.00 0.00 179.97 178.34 2kfs h ARG 140 N 0.37 0.72 -0.73 0.20 3.08 -0.79 -2.56 114.38 114.67 2kfs h ARG 140 Ca 0.21 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2kfs h ARG 140 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2kfs h ARG 140 CO -0.19 0.90 0.32 0.00 -1.07 0.00 0.00 179.97 179.93 2kfs h ALA 141 N 1.10 0.94 -0.91 0.04 0.00 0.04 -1.48 119.26 118.99 2kfs h ALA 141 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 141 Cb 0.75 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2kfs h ALA 141 CO 0.06 0.53 0.60 1.96 0.00 0.00 0.00 179.25 182.40 2kfs h GLN 142 N 1.03 1.18 0.00 0.00 4.20 -0.34 0.22 115.11 121.40 2kfs h GLN 142 Ca 0.25 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2kfs h GLN 142 Cb 0.16 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2kfs h GLN 142 CO -0.03 0.78 -0.32 0.00 -0.67 0.00 0.00 178.83 178.59 2kfs h ALA 143 N 1.44 1.21 0.20 3.87 0.00 -0.97 0.92 119.26 125.93 2kfs h ALA 143 Ca 0.34 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 2kfs h ALA 143 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kfs h ALA 143 CO -0.08 0.40 -1.46 0.52 0.00 0.00 0.00 179.25 178.63 2kfs h MET 144 N 0.00 0.42 0.02 0.00 2.86 -0.24 -3.38 114.93 114.61 2kfs h MET 144 Ca -0.00 -0.71 -0.00 0.00 -2.06 0.00 0.00 59.70 56.93 2kfs h MET 144 Cb 0.68 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.61 2kfs h MET 144 CO 0.04 1.34 -0.01 0.00 1.06 0.00 0.00 176.91 179.34 2kfs h ALA 145 N 0.10 -0.03 -0.03 6.32 0.00 -0.53 -3.51 119.26 121.57 2kfs h ALA 145 Ca -0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kfs h ALA 145 Cb 2.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2kfs h ALA 145 CO 0.19 -0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.01