#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 4.12 -0.68 0.03 0.04 -1.26 -4.93 135.00 132.32 2kfs s PRO 2 Ca 0.00 2.22 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 2kfs s PRO 2 Cb 0.00 -4.03 0.04 0.00 0.04 0.00 0.00 34.50 30.55 2kfs s PRO 2 CO 0.00 -0.93 1.14 0.20 0.04 0.00 0.00 177.00 177.45 2kfs s GLY 3 N 3.74 1.11 0.38 0.56 0.00 -1.26 -5.00 107.32 106.85 2kfs s GLY 3 Ca 0.77 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 2kfs s GLY 3 CO 0.32 2.40 1.10 0.50 0.00 0.00 0.00 173.10 177.42 2kfs s ARG 4 N 4.98 4.20 -0.45 2.90 3.00 -1.26 -5.01 118.95 127.31 2kfs s ARG 4 Ca 0.31 1.68 -0.16 0.00 0.00 0.00 0.00 55.73 57.56 2kfs s ARG 4 Cb -0.11 -2.70 0.05 0.00 0.00 0.00 0.00 34.95 32.19 2kfs s ARG 4 CO 0.15 -0.15 0.39 0.00 0.00 0.00 0.00 175.30 175.68 2kfs s ALA 5 N -1.49 3.50 1.00 2.13 0.00 -1.26 -5.07 121.76 120.57 2kfs s ALA 5 Ca 0.55 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2kfs s ALA 5 Cb -0.27 -3.03 0.22 0.00 0.00 0.00 0.00 23.12 20.04 2kfs s ALA 5 CO 0.34 -1.64 1.32 -2.14 0.00 0.00 0.00 175.76 173.64 2kfs s PRO 6 N 1.81 0.37 -0.25 0.00 0.02 -1.26 -5.10 135.00 130.59 2kfs s PRO 6 Ca 0.06 -0.43 -0.20 0.00 0.02 0.00 0.00 61.00 60.45 2kfs s PRO 6 Cb -0.21 -1.82 0.07 0.00 0.02 0.00 0.00 34.50 32.56 2kfs s PRO 6 CO 0.09 -2.59 0.64 0.20 -0.33 0.00 0.00 177.00 175.01 2kfs s GLY 7 N -4.84 -0.51 -0.40 0.52 0.00 -1.26 -5.11 107.32 95.71 2kfs s GLY 7 Ca 0.75 1.95 -0.13 0.00 0.00 0.00 0.00 44.72 47.29 2kfs s GLY 7 CO 0.54 1.78 0.27 -0.56 0.00 0.00 0.00 173.10 175.13 2kfs s SER 8 N 0.72 5.92 0.05 1.64 0.01 -1.26 -5.07 113.70 115.71 2kfs s SER 8 Ca -0.03 -1.05 -0.19 0.00 1.31 0.00 0.00 55.95 55.98 2kfs s SER 8 Cb -0.05 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 64.03 2kfs s SER 8 CO -0.05 -0.46 0.57 -0.89 0.41 0.00 0.00 173.24 172.82 2kfs s THR 9 N 1.60 4.79 0.17 1.44 2.01 -1.26 -5.07 115.64 119.32 2kfs s THR 9 Ca 0.03 1.21 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 2kfs s THR 9 Cb -0.20 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2kfs s THR 9 CO 0.07 0.52 0.44 -0.76 -0.69 0.00 0.00 174.62 174.20 2kfs s LEU 10 N -0.86 4.23 -0.51 4.42 1.43 -1.26 -5.05 118.68 121.08 2kfs s LEU 10 Ca 0.29 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.91 2kfs s LEU 10 Cb -0.19 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.65 2kfs s LEU 10 CO 0.18 0.01 0.61 0.00 0.23 0.00 0.00 176.35 177.38 2kfs s ALA 11 N -1.72 3.40 -1.17 4.21 0.00 -1.26 -4.98 121.76 120.25 2kfs s ALA 11 Ca 0.43 -1.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 2kfs s ALA 11 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2kfs s ALA 11 CO 0.23 -2.02 1.74 1.03 0.00 0.00 0.00 175.76 176.75 2kfs s ARG 12 N 2.55 3.40 -0.17 0.00 0.52 -1.26 -4.86 118.95 119.13 2kfs s ARG 12 Ca 0.14 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 2kfs s ARG 12 Cb -0.20 -5.38 0.03 0.00 0.52 0.00 0.00 34.95 29.92 2kfs s ARG 12 CO 0.11 -2.77 -0.12 0.08 0.02 0.00 0.00 175.30 172.62 2kfs s VAL 13 N 6.60 1.57 0.00 3.52 1.01 -1.26 -5.00 120.40 126.84 2kfs s VAL 13 Ca 0.57 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2kfs s VAL 13 Cb 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2kfs s VAL 13 CO 0.04 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2kfs n GLY 14 N 4.75 5.45 3.69 4.51 0.00 -1.26 -4.35 105.19 117.99 2kfs n GLY 14 Ca -0.16 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 15 N 1.00 7.13 -0.27 1.61 0.01 -1.16 -3.10 113.70 118.92 2kfs s SER 15 Ca 0.00 1.38 -0.12 0.00 1.31 0.00 0.00 55.95 58.52 2kfs s SER 15 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2kfs s SER 15 CO 0.00 -0.32 0.24 -0.63 0.41 0.00 0.00 173.24 172.94 2kfs s ILE 16 N 1.55 5.28 0.51 1.44 1.09 -1.26 -5.06 121.20 124.75 2kfs s ILE 16 Ca 0.44 0.28 -0.20 0.00 -1.10 0.00 0.00 60.65 60.07 2kfs s ILE 16 Cb -0.18 -3.57 -0.07 0.00 -1.06 0.00 0.00 42.46 37.57 2kfs s ILE 16 CO 0.19 0.24 1.09 -2.84 -0.10 0.00 0.00 174.94 173.51 2kfs s PRO 17 N 1.76 3.60 0.04 2.79 0.02 -1.26 -4.70 135.00 137.26 2kfs s PRO 17 Ca 0.09 1.52 -0.26 0.00 0.02 0.00 0.00 61.00 62.37 2kfs s PRO 17 Cb -0.16 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.22 2kfs s PRO 17 CO 0.10 -0.62 0.83 0.00 -0.33 0.00 0.00 177.00 176.97 2kfs s ALA 18 N -1.83 3.31 0.00 -1.55 0.00 -1.26 -4.40 121.76 116.03 2kfs s ALA 18 Ca 0.69 0.36 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2kfs s ALA 18 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kfs s ALA 18 CO 0.25 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2kfs n GLY 19 N 2.51 0.59 3.15 0.00 0.00 -1.26 -4.80 105.19 105.38 2kfs n GLY 19 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 1.00 2.93 0.27 1.61 2.15 -1.26 -4.09 116.67 119.28 2kfs s ASP 20 Ca 0.00 -0.55 -0.28 0.00 0.43 0.00 0.00 52.55 52.15 2kfs s ASP 20 Cb 0.00 -1.35 -0.09 0.00 -0.30 0.00 0.00 42.92 41.18 2kfs s ASP 20 CO 0.00 0.08 0.93 -0.62 -0.17 0.00 0.00 175.17 175.38 2kfs s ASP 21 N 0.77 7.48 0.00 -0.34 2.15 -0.90 -4.38 116.67 121.44 2kfs s ASP 21 Ca -0.09 1.86 0.13 0.00 0.43 0.00 0.00 52.55 54.89 2kfs s ASP 21 Cb -0.16 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.75 2kfs s ASP 21 CO 0.00 0.06 0.58 0.52 -0.17 0.00 0.00 175.17 176.16 2kfs n VAL 22 N 1.05 0.00 -0.98 1.11 0.31 -1.26 -4.97 118.33 113.58 2kfs n VAL 22 Ca -0.00 -0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 63.81 2kfs n VAL 22 Cb 0.49 1.01 0.13 0.00 -0.91 0.00 0.00 33.84 34.56 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 -2.57 2.95 0.19 7.52 1.43 -1.26 -5.01 118.68 121.93 2kfs s LEU 23 Ca 0.06 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 2kfs s LEU 23 Cb 0.10 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 2kfs s LEU 23 CO 0.53 -2.60 0.94 -0.62 0.23 0.00 0.00 176.35 174.83 2kfs s ASP 24 N -2.95 7.58 0.56 2.29 2.15 -1.26 -4.95 116.67 120.08 2kfs s ASP 24 Ca 0.65 1.88 0.33 0.00 0.43 0.00 0.00 52.55 55.83 2kfs s ASP 24 Cb -0.21 -2.60 1.48 0.00 -0.30 0.00 0.00 42.92 41.29 2kfs s ASP 24 CO 0.56 0.09 1.83 -0.65 -0.17 0.00 0.00 175.17 176.83 2kfs h PRO 25 N 4.65 0.00 0.00 4.34 0.11 -2.01 -0.41 132.00 138.67 2kfs h PRO 25 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kfs h PRO 25 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kfs h PRO 25 CO 0.69 0.00 -0.16 -0.25 -0.21 0.00 0.00 178.00 178.07 2kfs n ASP 26 N -4.05 2.13 -4.77 -2.05 8.00 -1.26 -5.01 116.55 109.55 2kfs n ASP 26 Ca 0.19 -3.34 -0.38 0.00 0.71 0.00 0.00 54.79 51.97 2kfs n ASP 26 Cb 1.03 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 2kfs n ASP 26 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2kfs s GLU 27 N -2.97 4.31 -0.59 -1.24 2.56 -0.17 -4.86 118.70 115.74 2kfs s GLU 27 Ca 0.34 1.69 -0.41 0.00 0.00 0.00 0.00 54.97 56.59 2kfs s GLU 27 Cb 0.31 -2.80 -0.19 0.00 2.00 0.00 0.00 34.13 33.44 2kfs s GLU 27 CO -0.00 -0.06 2.22 -2.30 -0.56 0.00 0.00 175.26 174.56 2kfs n PRO 28 N 0.41 0.00 -4.38 4.30 -0.01 -1.26 -4.89 135.00 129.17 2kfs n PRO 28 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.33 2kfs n PRO 28 Cb 0.47 -1.48 -0.10 0.00 -0.01 0.00 0.00 33.50 32.38 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 2kfs s THR 29 N 6.51 1.13 0.16 3.45 -4.23 -1.26 -0.77 115.64 120.63 2kfs s THR 29 Ca 1.21 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2kfs s THR 29 Cb -1.43 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 2kfs s THR 29 CO 0.62 -0.20 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.08 2kfs s TYR 30 N -3.35 1.34 0.11 3.99 2.02 0.13 -4.46 117.35 117.13 2kfs s TYR 30 Ca 0.32 -0.74 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2kfs s TYR 30 Cb 0.06 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2kfs s TYR 30 CO 0.12 0.11 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.62 2kfs s ASP 31 N -3.19 1.27 0.15 2.29 1.11 -1.26 -0.89 116.67 116.14 2kfs s ASP 31 Ca 0.18 -1.00 -0.27 0.00 0.18 0.00 0.00 52.55 51.64 2kfs s ASP 31 Cb 0.02 0.07 -0.02 0.00 1.07 0.00 0.00 42.92 44.07 2kfs s ASP 31 CO 0.02 -0.43 1.58 -0.07 1.18 0.00 0.00 175.17 177.45 2kfs h LEU 32 N 2.97 -1.33 -1.53 1.23 3.38 -1.94 0.24 115.31 118.32 2kfs h LEU 32 Ca -0.36 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2kfs h LEU 32 Cb 1.17 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2kfs h LEU 32 CO 0.64 -0.38 -0.15 1.55 0.09 0.00 0.00 178.44 180.18 2kfs h PRO 33 N -0.38 0.11 -0.17 1.13 0.13 -1.98 -2.11 132.00 128.73 2kfs h PRO 33 Ca 0.12 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 2kfs h PRO 33 Cb 0.59 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2kfs h PRO 33 CO -0.50 0.27 -0.49 -0.09 -0.23 0.00 0.00 178.00 176.97 2kfs h ARG 34 N 0.11 0.45 -0.41 0.86 9.65 -1.50 -0.75 114.38 122.79 2kfs h ARG 34 Ca 0.02 -0.26 -0.15 0.00 -1.10 0.00 0.00 59.98 58.49 2kfs h ARG 34 Cb 0.34 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2kfs h ARG 34 CO 0.02 0.84 -0.34 0.28 2.80 0.00 0.00 179.97 183.58 2kfs h VAL 35 N 0.36 1.27 -0.88 0.20 2.07 -0.12 -0.32 116.25 118.83 2kfs h VAL 35 Ca 0.02 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.04 2kfs h VAL 35 Cb 0.99 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 2kfs h VAL 35 CO 0.09 0.51 0.59 0.00 0.02 0.00 0.00 177.57 178.77 2kfs h ALA 36 N 0.82 1.39 -0.26 1.67 0.00 -1.14 -1.23 119.26 120.50 2kfs h ALA 36 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 36 Cb 0.93 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kfs h ALA 36 CO 0.09 0.56 -0.01 1.49 0.00 0.00 0.00 179.25 181.38 2kfs h GLU 37 N 1.18 0.47 -0.09 0.00 4.81 -0.76 0.23 114.58 120.41 2kfs h GLU 37 Ca 0.33 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2kfs h GLU 37 Cb -0.10 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2kfs h GLU 37 CO -0.08 0.64 0.06 1.25 -0.73 0.00 0.00 179.01 180.15 2kfs h LEU 38 N 0.24 0.11 0.00 1.64 5.85 -0.48 -3.07 115.31 119.61 2kfs h LEU 38 Ca 0.07 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kfs h LEU 38 Cb 0.43 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2kfs h LEU 38 CO 0.02 0.12 -0.80 -0.07 -0.34 0.00 0.00 178.44 177.36 2kfs h LEU 39 N 0.09 0.00 0.00 2.25 3.38 -1.28 -3.47 115.31 116.28 2kfs h LEU 39 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kfs h LEU 39 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kfs h LEU 39 CO -0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2kfs n GLY 40 N 1.24 0.43 3.88 0.83 0.00 0.70 -5.03 105.19 107.23 2kfs n GLY 40 Ca 0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 4.28 0.69 1.61 -7.23 -0.62 -4.99 120.40 112.14 2kfs s VAL 41 Ca 0.00 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2kfs s VAL 41 Cb 0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2kfs s VAL 41 CO 0.00 -0.27 1.06 -2.16 -0.31 0.00 0.00 175.10 173.42 2kfs s PRO 42 N -3.95 3.00 0.45 4.82 0.04 -1.26 -4.44 135.00 133.65 2kfs s PRO 42 Ca 0.37 0.92 0.12 0.00 0.04 0.00 0.00 61.00 62.45 2kfs s PRO 42 Cb -0.08 -2.00 1.02 0.00 0.04 0.00 0.00 34.50 33.49 2kfs s PRO 42 CO 0.27 -1.05 2.05 0.28 0.04 0.00 0.00 177.00 178.59 2kfs h VAL 43 N -0.68 1.00 -0.80 -0.36 2.07 -1.93 0.01 116.25 115.57 2kfs h VAL 43 Ca -0.44 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2kfs h VAL 43 Cb 1.21 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2kfs h VAL 43 CO 0.57 0.07 0.53 0.77 0.02 0.00 0.00 177.57 179.53 2kfs h SER 44 N 0.36 0.86 0.24 0.57 4.64 -1.98 0.84 113.55 119.09 2kfs h SER 44 Ca 0.16 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 2kfs h SER 44 Cb 0.18 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2kfs h SER 44 CO -0.04 0.60 -0.47 0.50 -0.87 0.00 0.00 176.83 176.55 2kfs h LYS 45 N 1.00 0.27 -0.73 4.77 3.64 -1.36 -0.32 116.57 123.84 2kfs h LYS 45 Ca 0.31 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2kfs h LYS 45 Cb 0.01 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2kfs h LYS 45 CO -0.09 0.69 0.41 0.28 -2.27 0.00 0.00 179.45 178.47 2kfs h VAL 46 N 0.22 1.22 -0.57 2.00 2.07 -0.85 -0.05 116.25 120.29 2kfs h VAL 46 Ca 0.01 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 46 Cb 0.91 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2kfs h VAL 46 CO 0.07 0.24 0.25 0.00 0.02 0.00 0.00 177.57 178.15 2kfs h ALA 47 N 1.21 1.36 -0.44 1.67 0.00 -0.47 -2.27 119.26 120.32 2kfs h ALA 47 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2kfs h ALA 47 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kfs h ALA 47 CO -0.04 0.49 -0.01 1.96 0.00 0.00 0.00 179.25 181.65 2kfs h GLN 48 N 0.81 0.72 -0.33 0.00 4.20 0.27 0.16 115.11 120.93 2kfs h GLN 48 Ca 0.20 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kfs h GLN 48 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2kfs h GLN 48 CO -0.02 0.73 0.21 1.96 -0.67 0.00 0.00 178.83 181.04 2kfs h GLN 49 N 0.67 0.45 -0.74 1.46 1.08 -0.50 -0.21 115.11 117.32 2kfs h GLN 49 Ca 0.13 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2kfs h GLN 49 Cb 0.43 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2kfs h GLN 49 CO 0.02 0.32 0.34 -0.07 -0.95 0.00 0.00 178.83 178.49 2kfs h LEU 50 N 0.44 0.97 -1.52 1.46 -0.00 -1.03 0.19 115.31 115.81 2kfs h LEU 50 Ca 0.12 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2kfs h LEU 50 Cb -0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.38 2kfs h LEU 50 CO -0.02 0.82 -0.25 0.03 -0.00 0.00 0.00 178.44 179.02 2kfs h ARG 51 N 1.06 0.00 -0.02 1.13 2.47 0.24 -2.87 114.38 116.39 2kfs h ARG 51 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2kfs h ARG 51 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2kfs h ARG 51 CO -0.03 0.25 -0.13 0.39 0.56 0.00 0.00 179.97 181.01 2kfs n GLU 52 N -4.07 1.74 -2.82 0.04 1.02 -0.18 -3.96 120.64 112.41 2kfs n GLU 52 Ca -0.02 -1.48 -0.13 0.00 -0.02 0.00 0.00 57.16 55.51 2kfs n GLU 52 Cb 0.31 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.21 0.03 0.05 0.62 0.00 -0.52 -4.45 105.19 102.13 2kfs n GLY 53 Ca 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.95 0.36 -3.49 1.61 -0.00 0.54 -4.43 115.22 105.86 2kfs n HIS 54 Ca -0.04 0.11 -0.16 0.00 -0.00 0.00 0.00 57.72 57.62 2kfs n HIS 54 Cb 0.56 -0.68 -0.05 0.00 -0.00 0.00 0.00 29.99 29.82 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 -4.85 -0.61 0.20 0.27 2.96 -1.19 -4.09 118.68 111.37 2kfs s LEU 55 Ca -0.05 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2kfs s LEU 55 Cb 0.12 2.54 -0.05 0.00 0.50 0.00 0.00 46.19 49.31 2kfs s LEU 55 CO 0.87 -0.73 -0.09 0.68 -1.32 0.00 0.00 176.35 175.76 2kfs s VAL 56 N -2.06 1.37 0.12 1.68 -7.23 -1.26 -3.77 120.40 109.24 2kfs s VAL 56 Ca -0.07 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.02 2kfs s VAL 56 Cb -0.00 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2kfs s VAL 56 CO 0.02 -0.57 -0.08 0.00 -0.31 0.00 0.00 175.10 174.16 2kfs s ALA 57 N -3.20 1.18 0.26 1.32 0.00 -1.26 -4.78 121.76 115.27 2kfs s ALA 57 Ca 0.22 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.82 2kfs s ALA 57 Cb 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2kfs s ALA 57 CO 0.05 -0.17 0.02 0.14 0.00 0.00 0.00 175.76 175.80 2kfs s VAL 58 N -3.43 1.04 -0.25 0.00 -7.23 0.61 -4.23 120.40 106.90 2kfs s VAL 58 Ca 0.13 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2kfs s VAL 58 Cb 0.04 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2kfs s VAL 58 CO -0.02 -0.22 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.90 2kfs s ARG 59 N -3.88 2.93 -0.05 4.82 3.52 -1.26 -0.15 118.95 124.88 2kfs s ARG 59 Ca 0.31 -0.92 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2kfs s ARG 59 Cb 0.06 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 2kfs s ARG 59 CO 0.11 -0.38 -0.24 -0.98 -0.81 0.00 0.00 175.30 173.00 2kfs s ARG 60 N 1.36 2.37 -0.87 5.12 1.70 0.05 -2.11 118.95 126.58 2kfs s ARG 60 Ca 0.01 -0.88 -0.01 0.00 -0.47 0.00 0.00 55.73 54.39 2kfs s ARG 60 Cb -0.16 -2.07 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 2kfs s ARG 60 CO -0.04 0.41 0.03 0.00 -1.08 0.00 0.00 175.30 174.62 2kfs n ALA 61 N 2.85 -0.84 -1.15 7.88 0.00 -1.26 0.22 120.51 128.23 2kfs n ALA 61 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kfs n ALA 61 Cb 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.77 0.48 3.14 0.00 0.00 -1.26 -5.06 105.19 101.73 2kfs n GLY 62 Ca -0.11 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.88 0.75 -0.27 -0.02 0.00 0.13 -5.12 107.32 99.91 2kfs s GLY 63 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 2kfs s GLY 63 CO 0.00 -1.05 0.29 0.14 0.00 0.00 0.00 173.10 172.48 2kfs s VAL 64 N -1.76 5.24 0.17 1.40 1.01 -1.26 -0.77 120.40 124.44 2kfs s VAL 64 Ca -0.02 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2kfs s VAL 64 Cb -0.07 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2kfs s VAL 64 CO 0.01 0.21 0.00 0.68 0.00 0.00 0.00 175.10 176.00 2kfs s VAL 65 N 1.87 0.68 -0.04 2.92 -7.23 0.78 -3.40 120.40 115.99 2kfs s VAL 65 Ca 0.11 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2kfs s VAL 65 Cb -0.16 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2kfs s VAL 65 CO 0.10 -0.48 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.71 2kfs s ILE 66 N -3.65 0.74 0.30 -0.62 1.01 -0.07 -0.29 121.20 118.62 2kfs s ILE 66 Ca 0.24 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2kfs s ILE 66 Cb 0.06 -0.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.71 2kfs s ILE 66 CO 0.04 0.26 1.58 -2.84 0.00 0.00 0.00 174.94 173.97 2kfs s PRO 67 N 0.66 4.13 0.32 2.79 0.02 -1.26 0.20 135.00 141.86 2kfs s PRO 67 Ca -0.10 2.57 0.09 0.00 0.02 0.00 0.00 61.00 63.58 2kfs s PRO 67 Cb -0.13 -3.02 0.55 0.00 0.02 0.00 0.00 34.50 31.92 2kfs s PRO 67 CO 0.01 -0.61 1.74 0.37 -0.33 0.00 0.00 177.00 178.18 2kfs h GLN 68 N 4.66 0.12 0.00 5.54 4.15 -1.17 -1.87 115.11 126.54 2kfs h GLN 68 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2kfs h GLN 68 Cb 1.22 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kfs h GLN 68 CO 0.78 0.52 0.00 1.33 -1.93 0.00 0.00 178.83 179.52 2kfs n VAL 69 N -4.03 0.42 0.91 2.39 0.24 -1.24 -1.21 118.33 115.81 2kfs n VAL 69 Ca -0.02 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 2kfs n VAL 69 Cb 0.46 -0.90 0.36 0.00 -1.47 0.00 0.00 33.84 32.30 2kfs n VAL 69 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2kfs n PHE 70 N -1.18 0.14 -4.05 6.34 7.35 -0.70 -4.21 117.46 121.14 2kfs n PHE 70 Ca 0.07 0.04 -0.22 0.00 -0.76 0.00 0.00 57.45 56.59 2kfs n PHE 70 Cb 0.08 -0.43 -0.04 0.00 0.35 0.00 0.00 39.48 39.44 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2kfs s PHE 71 N -3.03 3.02 0.70 -5.13 0.40 -0.35 -4.18 117.98 109.41 2kfs s PHE 71 Ca 0.11 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 2kfs s PHE 71 Cb 0.17 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.22 2kfs s PHE 71 CO 0.65 0.44 1.06 0.95 0.70 0.00 0.00 175.22 179.02 2kfs s THR 72 N -2.20 3.92 0.23 0.64 -4.23 0.30 -4.59 115.64 109.71 2kfs s THR 72 Ca 0.35 0.62 0.32 0.00 -1.18 0.00 0.00 61.69 61.81 2kfs s THR 72 Cb -0.07 -3.41 0.32 0.00 1.34 0.00 0.00 72.50 70.69 2kfs s THR 72 CO 0.25 -0.81 1.99 -0.55 -0.54 0.00 0.00 174.62 174.96 2kfs h ASN 73 N -0.73 0.00 0.01 3.99 7.08 -1.88 0.95 115.58 124.98 2kfs h ASN 73 Ca -0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 2kfs h ASN 73 Cb 1.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2kfs h ASN 73 CO 0.58 0.00 -0.07 -1.20 -2.08 0.00 0.00 177.43 174.66 2kfs n SER 74 N -2.65 2.06 0.00 6.14 7.64 -1.26 -4.94 113.62 120.60 2kfs n SER 74 Ca -0.02 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2kfs n SER 74 Cb 0.07 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 1.28 0.74 3.92 0.23 0.00 0.33 -5.06 105.19 106.64 2kfs n GLY 75 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.55 3.55 0.25 1.61 0.74 -1.26 -4.82 119.66 119.18 2kfs s GLN 76 Ca 0.00 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.91 2kfs s GLN 76 Cb 0.00 -2.69 -0.09 0.00 1.10 0.00 0.00 33.01 31.33 2kfs s GLN 76 CO 0.00 0.22 1.10 0.08 -0.55 0.00 0.00 175.29 176.14 2kfs s VAL 77 N -2.14 3.57 0.21 1.34 1.01 -1.26 -0.54 120.40 122.58 2kfs s VAL 77 Ca 0.41 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 2kfs s VAL 77 Cb -0.10 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 2kfs s VAL 77 CO 0.32 0.34 1.60 -0.69 0.00 0.00 0.00 175.10 176.67 2kfs s VAL 78 N -0.93 2.35 0.18 2.92 1.01 -1.26 -4.83 120.40 119.84 2kfs s VAL 78 Ca 0.46 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2kfs s VAL 78 Cb -0.31 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 32.98 2kfs s VAL 78 CO 0.39 0.03 1.76 0.50 0.00 0.00 0.00 175.10 177.78 2kfs h LYS 79 N 6.24 0.89 -0.42 2.72 1.63 -1.96 -2.14 116.57 123.53 2kfs h LYS 79 Ca -0.44 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 2kfs h LYS 79 Cb 1.21 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2kfs h LYS 79 CO 0.89 0.72 0.00 0.45 -3.45 0.00 0.00 179.45 178.06 2kfs n SER 80 N -4.50 1.91 0.18 4.20 2.88 -1.26 -4.10 113.62 112.94 2kfs n SER 80 Ca 0.04 -2.08 -0.14 0.00 -1.33 0.00 0.00 58.87 55.36 2kfs n SER 80 Cb 0.13 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.75 -0.39 -1.82 2.46 6.46 -1.73 -0.40 115.31 121.63 2kfs h LEU 81 Ca 0.00 -0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2kfs h LEU 81 Cb 0.56 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2kfs h LEU 81 CO 0.04 -0.06 0.30 1.55 -0.62 0.00 0.00 178.44 179.65 2kfs h PRO 82 N -0.76 0.20 -0.44 5.25 0.13 -1.71 -1.53 132.00 133.13 2kfs h PRO 82 Ca -0.05 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2kfs h PRO 82 Cb 0.51 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 2kfs h PRO 82 CO 0.08 0.13 0.18 0.78 -0.23 0.00 0.00 178.00 178.94 2kfs h GLY 83 N 0.21 0.70 1.09 1.56 0.00 -1.69 0.17 103.07 105.10 2kfs h GLY 83 Ca 0.20 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2kfs h GLY 83 CO -0.03 0.36 -0.20 0.17 0.00 0.00 0.00 176.54 176.83 2kfs h LEU 84 N 0.57 1.00 -1.34 3.11 8.10 -0.37 -2.74 115.31 123.64 2kfs h LEU 84 Ca 0.15 -0.39 0.01 0.00 0.11 0.00 0.00 57.88 57.75 2kfs h LEU 84 Cb 0.18 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.09 2kfs h LEU 84 CO -0.01 1.17 0.45 -0.07 -4.11 0.00 0.00 178.44 175.86 2kfs h LEU 85 N 0.83 0.78 -0.03 0.17 3.38 -0.92 -1.38 115.31 118.13 2kfs h LEU 85 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kfs h LEU 85 Cb 0.78 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kfs h LEU 85 CO 0.06 0.56 0.02 0.74 0.09 0.00 0.00 178.44 179.91 2kfs h THR 86 N 0.92 1.03 -0.30 0.22 2.02 -0.38 0.15 112.91 116.57 2kfs h THR 86 Ca 0.25 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 2kfs h THR 86 Cb -0.10 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2kfs h THR 86 CO -0.05 0.03 0.01 -0.29 0.37 0.00 0.00 175.52 175.59 2kfs h ILE 87 N 0.01 1.25 -0.46 3.11 -0.00 -1.25 -1.29 117.51 118.88 2kfs h ILE 87 Ca 0.01 -0.90 -0.11 0.00 -0.00 0.00 0.00 64.86 63.86 2kfs h ILE 87 Cb 0.03 1.26 -0.02 0.00 -0.00 0.00 0.00 36.82 38.09 2kfs h ILE 87 CO -0.00 0.29 -0.17 -0.07 -0.00 0.00 0.00 178.15 178.20 2kfs h LEU 88 N 0.31 0.90 -0.99 2.19 -0.00 -1.18 0.13 115.31 116.68 2kfs h LEU 88 Ca 0.09 -0.31 -0.08 0.00 -0.00 0.00 0.00 57.88 57.58 2kfs h LEU 88 Cb 0.41 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2kfs h LEU 88 CO 0.01 1.05 -0.15 -0.74 -0.00 0.00 0.00 178.44 178.61 2kfs h HIS 89 N 0.78 0.61 -0.01 1.13 2.76 -0.62 0.22 115.15 120.02 2kfs h HIS 89 Ca 0.12 -0.11 -0.14 0.00 -2.20 0.00 0.00 60.37 58.04 2kfs h HIS 89 Cb 0.70 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 2kfs h HIS 89 CO 0.04 0.68 -0.65 0.22 -1.30 0.00 0.00 177.93 176.92 2kfs h ASP 90 N 0.51 0.07 0.77 3.26 3.58 -0.98 -2.84 116.42 120.80 2kfs h ASP 90 Ca 0.09 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kfs h ASP 90 Cb 0.56 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2kfs h ASP 90 CO 0.04 0.70 -0.17 0.61 -2.88 0.00 0.00 179.24 177.54 2kfs n GLY 91 N 0.35 -1.36 1.43 -0.78 0.00 0.01 -4.94 105.19 99.90 2kfs n GLY 91 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.96 3.47 -0.02 0.00 0.27 -5.05 105.19 106.29 2kfs n GLY 92 Ca 0.08 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.95 3.04 0.78 1.61 2.02 0.52 -5.01 117.35 117.36 2kfs s TYR 93 Ca 0.00 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 2kfs s TYR 93 Cb 0.00 -2.04 0.11 0.00 -0.40 0.00 0.00 41.96 39.63 2kfs s TYR 93 CO 0.00 -0.17 1.09 -0.98 -1.57 0.00 0.00 175.55 173.93 2kfs s ARG 94 N 0.79 1.67 0.24 -0.62 1.70 -1.26 -4.32 118.95 117.14 2kfs s ARG 94 Ca -0.00 -0.49 -0.05 0.00 -0.47 0.00 0.00 55.73 54.73 2kfs s ARG 94 Cb -0.14 -2.12 0.43 0.00 -0.57 0.00 0.00 34.95 32.55 2kfs s ARG 94 CO 0.02 -1.60 1.75 0.38 -1.08 0.00 0.00 175.30 174.77 2kfs h ASP 95 N -0.86 0.37 -0.83 -2.89 2.03 -1.92 -0.03 116.42 112.29 2kfs h ASP 95 Ca -0.43 0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 55.95 2kfs h ASP 95 Cb 1.28 0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.79 2kfs h ASP 95 CO 0.50 0.17 0.46 0.74 -1.03 0.00 0.00 179.24 180.08 2kfs h THR 96 N 0.52 1.24 -0.39 1.15 2.02 -1.89 -1.28 112.91 114.28 2kfs h THR 96 Ca 0.40 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2kfs h THR 96 Cb 0.54 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2kfs h THR 96 CO -0.35 0.26 0.09 -0.33 0.37 0.00 0.00 175.52 175.56 2kfs h GLU 97 N 1.14 0.63 -0.15 6.66 4.39 -1.39 -2.20 114.58 123.65 2kfs h GLU 97 Ca 0.29 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kfs h GLU 97 Cb 0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2kfs h GLU 97 CO -0.05 0.66 0.10 0.82 -1.16 0.00 0.00 179.01 179.37 2kfs h ILE 98 N 0.49 1.06 0.00 3.13 1.08 -0.65 -2.07 117.51 120.55 2kfs h ILE 98 Ca 0.12 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 2kfs h ILE 98 Cb 0.31 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 2kfs h ILE 98 CO 0.00 0.06 -0.29 0.24 -0.69 0.00 0.00 178.15 177.47 2kfs h MET 99 N 0.19 0.00 0.46 2.37 2.86 -1.21 -2.08 114.93 117.52 2kfs h MET 99 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2kfs h MET 99 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2kfs h MET 99 CO -0.01 0.29 -0.25 -0.09 1.06 0.00 0.00 176.91 177.91 2kfs h ARG 100 N 0.00 -0.63 -0.10 1.72 2.43 -0.71 -0.32 114.38 116.77 2kfs h ARG 100 Ca -0.00 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 100 Cb 0.63 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2kfs h ARG 100 CO 0.04 -0.42 -0.39 0.11 -1.51 0.00 0.00 179.97 177.80 2kfs h TRP 101 N -0.65 0.23 -0.97 2.20 5.08 -1.57 -2.43 115.95 117.84 2kfs h TRP 101 Ca -0.06 -0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.85 2kfs h TRP 101 Cb 0.51 -0.05 -0.05 0.00 -3.00 0.00 0.00 29.16 26.57 2kfs h TRP 101 CO 0.05 0.56 0.61 -0.07 -1.28 0.00 0.00 178.44 178.32 2kfs h LEU 102 N 0.17 1.14 -1.30 0.11 3.38 -1.31 -2.71 115.31 114.79 2kfs h LEU 102 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kfs h LEU 102 Cb 0.76 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kfs h LEU 102 CO 0.06 0.85 -0.11 0.49 0.09 0.00 0.00 178.44 179.82 2kfs n PHE 103 N -4.37 0.00 -3.01 1.13 3.01 -0.14 -2.04 117.46 112.04 2kfs n PHE 103 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 2kfs n PHE 103 Cb 0.04 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 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 -2.14 4.82 0.12 4.37 2.01 -0.93 -4.89 115.64 119.00 2kfs s THR 104 Ca 0.29 0.94 -0.35 0.00 0.31 0.00 0.00 61.69 62.88 2kfs s THR 104 Cb 0.20 -4.13 -0.15 0.00 0.01 0.00 0.00 72.50 68.43 2kfs s THR 104 CO 0.38 -0.29 1.51 -2.65 -0.69 0.00 0.00 174.62 172.88 2kfs n PRO 105 N 6.18 1.80 -3.20 4.92 -0.02 -1.26 -4.32 135.00 139.10 2kfs n PRO 105 Ca 0.02 0.65 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 2kfs n PRO 105 Cb 0.48 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.90 6.67 0.54 2.55 -1.08 0.40 -4.89 116.67 121.76 2kfs s ASP 106 Ca 0.81 0.81 0.21 0.00 -0.52 0.00 0.00 52.55 53.86 2kfs s ASP 106 Cb -0.78 -2.32 1.45 0.00 -1.46 0.00 0.00 42.92 39.81 2kfs s ASP 106 CO 0.42 -0.17 2.16 1.55 0.52 0.00 0.00 175.17 179.65 2kfs h PRO 107 N 7.25 0.00 -0.52 4.34 0.13 -1.92 -2.44 132.00 138.83 2kfs h PRO 107 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kfs h PRO 107 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.76 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.99 2kfs n SER 108 N -4.21 3.66 -4.53 1.44 7.64 -1.26 -4.74 113.62 111.62 2kfs n SER 108 Ca -0.03 -2.00 -0.37 0.00 1.01 0.00 0.00 58.87 57.48 2kfs n SER 108 Cb 0.11 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kfs s LEU 109 N -1.31 3.79 -0.20 -3.43 2.96 -0.92 -5.02 118.68 114.55 2kfs s LEU 109 Ca 0.43 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2kfs s LEU 109 Cb 0.24 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.95 2kfs s LEU 109 CO 0.33 -0.04 0.01 -0.89 -1.32 0.00 0.00 176.35 174.43 2kfs s THR 110 N 1.69 0.79 0.16 3.68 2.01 -1.26 -0.04 115.64 122.68 2kfs s THR 110 Ca 0.07 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2kfs s THR 110 Cb -0.16 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 2kfs s THR 110 CO 0.08 -0.14 -0.02 0.27 -0.69 0.00 0.00 174.62 174.13 2kfs s ILE 111 N 1.74 0.75 -0.15 1.82 -4.36 -0.29 -4.92 121.20 115.78 2kfs s ILE 111 Ca -0.02 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 2kfs s ILE 111 Cb -0.17 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 2kfs s ILE 111 CO -0.07 -0.54 0.58 0.42 0.24 0.00 0.00 174.94 175.56 2kfs s THR 112 N -3.61 5.09 -0.07 8.37 -4.23 -1.26 0.66 115.64 120.59 2kfs s THR 112 Ca 0.22 1.12 -0.14 0.00 -1.18 0.00 0.00 61.69 61.71 2kfs s THR 112 Cb 0.06 -3.90 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 2kfs s THR 112 CO 0.03 0.21 0.34 -0.60 -0.54 0.00 0.00 174.62 174.07 2kfs s ARG 113 N 1.28 3.98 -1.43 3.99 3.52 -1.04 -4.28 118.95 124.98 2kfs s ARG 113 Ca 0.29 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 2kfs s ARG 113 Cb -0.16 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 2kfs s ARG 113 CO 0.12 0.52 0.00 -0.25 -0.81 0.00 0.00 175.30 174.88 2kfs n ASP 114 N 2.52 -4.26 -0.20 -2.12 8.00 -1.26 -0.46 116.55 118.77 2kfs n ASP 114 Ca -0.14 0.24 -0.03 0.00 0.71 0.00 0.00 54.79 55.58 2kfs n ASP 114 Cb 0.53 -3.73 -0.01 0.00 -0.02 0.00 0.00 41.12 37.88 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfs n GLY 115 N -0.59 0.58 3.93 0.44 0.00 -1.26 -5.02 105.19 103.27 2kfs n GLY 115 Ca -0.17 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.55 4.36 0.01 1.61 0.15 0.39 -4.96 113.70 112.70 2kfs s SER 116 Ca 0.00 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.35 2kfs s SER 116 Cb 0.00 -0.90 0.77 0.00 -1.71 0.00 0.00 66.02 64.18 2kfs s SER 116 CO 0.00 -1.93 1.60 -2.11 1.20 0.00 0.00 173.24 172.00 2kfs n ARG 117 N -3.19 0.02 -2.35 5.44 0.00 -1.26 -4.38 116.66 110.94 2kfs n ARG 117 Ca 0.10 0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.55 2kfs n ARG 117 Cb 0.60 -1.52 -0.03 0.00 -0.00 0.00 0.00 32.46 31.51 2kfs n ARG 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2kfs s ASP 118 N -3.10 7.08 -0.18 2.89 2.15 -1.26 -4.98 116.67 119.27 2kfs s ASP 118 Ca 0.12 2.32 -0.04 0.00 0.43 0.00 0.00 52.55 55.38 2kfs s ASP 118 Cb 0.18 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2kfs s ASP 118 CO 0.64 -0.34 -0.03 0.00 -0.17 0.00 0.00 175.17 175.27 2kfs s ALA 119 N -0.49 2.98 -0.25 3.66 0.00 -1.26 -2.48 121.76 123.92 2kfs s ALA 119 Ca 0.50 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2kfs s ALA 119 Cb -0.34 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2kfs s ALA 119 CO 0.40 0.01 0.04 0.08 0.00 0.00 0.00 175.76 176.29 2kfs s VAL 120 N 0.71 3.92 0.02 0.00 1.01 0.21 -4.92 120.40 121.35 2kfs s VAL 120 Ca -0.01 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2kfs s VAL 120 Cb -0.14 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 2kfs s VAL 120 CO 0.02 0.30 0.51 -0.44 0.00 0.00 0.00 175.10 175.49 2kfs s SER 121 N 1.54 6.93 -0.85 3.32 0.01 -1.26 -1.14 113.70 122.25 2kfs s SER 121 Ca 0.05 1.10 -0.04 0.00 1.31 0.00 0.00 55.95 58.37 2kfs s SER 121 Cb -0.15 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2kfs s SER 121 CO 0.01 0.24 0.74 -3.20 0.41 0.00 0.00 173.24 171.43 2kfs n ASN 122 N 2.12 -5.37 -4.97 2.44 2.85 0.94 -4.99 115.26 108.29 2kfs n ASN 122 Ca -0.11 -0.56 -0.21 0.00 -0.11 0.00 0.00 54.58 53.59 2kfs n ASN 122 Cb 0.51 -4.24 -0.01 0.00 1.24 0.00 0.00 39.78 37.28 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 -3.31 3.94 0.11 5.20 0.00 -1.23 -4.57 121.76 121.91 2kfs s ALA 123 Ca 0.33 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 2kfs s ALA 123 Cb -0.04 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 2kfs s ALA 123 CO 0.59 0.07 0.66 -0.98 0.00 0.00 0.00 175.76 176.09 2kfs s ARG 124 N -4.15 4.36 0.54 0.00 1.70 -1.26 -0.46 118.95 119.69 2kfs s ARG 124 Ca 0.39 0.92 0.34 0.00 -0.47 0.00 0.00 55.73 56.91 2kfs s ARG 124 Cb -0.09 -3.25 1.51 0.00 -0.57 0.00 0.00 34.95 32.55 2kfs s ARG 124 CO 0.32 0.61 1.85 -1.35 -1.08 0.00 0.00 175.30 175.64 2kfs h PRO 125 N 4.46 0.00 -0.35 3.89 0.11 -1.67 0.05 132.00 138.49 2kfs h PRO 125 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2kfs h PRO 125 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kfs h PRO 125 CO 0.65 0.00 -0.21 0.28 -0.21 0.00 0.00 178.00 178.51 2kfs h VAL 126 N 0.00 1.27 -0.02 3.15 2.07 -1.76 -1.92 116.25 119.03 2kfs h VAL 126 Ca 0.48 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 2kfs h VAL 126 Cb 1.96 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2kfs h VAL 126 CO -0.01 0.42 -0.50 -0.78 0.02 0.00 0.00 177.57 176.73 2kfs h ASP 127 N 0.60 0.07 -0.27 0.57 1.82 -1.27 -1.44 116.42 116.50 2kfs h ASP 127 Ca 0.09 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2kfs h ASP 127 Cb 0.68 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2kfs h ASP 127 CO 0.05 0.56 0.07 0.00 -1.61 0.00 0.00 179.24 178.31 2kfs h ALA 128 N 1.45 0.35 -0.16 -0.78 0.00 -1.10 -0.22 119.26 118.79 2kfs h ALA 128 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2kfs h ALA 128 Cb 0.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kfs h ALA 128 CO 0.07 -0.00 -0.35 1.37 0.00 0.00 0.00 179.25 180.34 2kfs h LEU 129 N 0.26 0.35 -1.24 0.00 8.10 -0.87 0.37 115.31 122.28 2kfs h LEU 129 Ca 0.08 -0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.89 2kfs h LEU 129 Cb 0.27 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 2kfs h LEU 129 CO -0.00 0.68 0.00 -0.74 -4.11 0.00 0.00 178.44 174.27 2kfs h HIS 130 N 0.29 0.53 -0.34 0.17 2.76 -1.09 -1.62 115.15 115.86 2kfs h HIS 130 Ca 0.03 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kfs h HIS 130 Cb 0.76 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2kfs h HIS 130 CO 0.02 0.52 0.00 0.00 -1.30 0.00 0.00 177.93 177.17 2kfs n ALA 131 N -2.48 2.48 -2.06 5.26 0.00 -0.11 -3.82 120.51 119.79 2kfs n ALA 131 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2kfs n ALA 131 Cb 0.24 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 0.49 -0.47 -1.12 0.00 -0.00 -0.61 -4.40 115.22 109.11 2kfs n HIS 132 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.82 2kfs n HIS 132 Cb 0.31 -2.67 0.27 0.00 -0.00 0.00 0.00 29.99 27.89 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 -2.28 3.05 -0.09 -0.41 1.13 0.12 -4.73 117.38 114.16 2kfs n GLN 133 Ca -0.14 -3.04 0.23 0.00 -1.94 0.00 0.00 57.00 52.11 2kfs n GLN 133 Cb 0.57 -2.02 0.68 0.00 0.11 0.00 0.00 30.24 29.58 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kfs h ALA 134 N 2.01 2.59 -0.87 -1.58 0.00 -1.79 -0.57 119.26 119.04 2kfs h ALA 134 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2kfs h ALA 134 Cb 1.93 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 2kfs h ALA 134 CO 0.51 -0.79 0.58 0.00 0.00 0.00 0.00 179.25 179.55 2kfs h ARG 135 N 0.05 1.08 -0.02 0.00 2.47 -1.94 -0.68 114.38 115.34 2kfs h ARG 135 Ca 0.34 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.90 2kfs h ARG 135 Cb 1.27 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2kfs h ARG 135 CO -0.02 0.71 -0.41 0.93 0.56 0.00 0.00 179.97 181.74 2kfs h GLU 136 N 1.11 0.03 -0.15 0.04 4.39 -1.50 -1.79 114.58 116.72 2kfs h GLU 136 Ca 0.34 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.93 2kfs h GLU 136 Cb -0.01 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kfs h GLU 136 CO -0.10 0.43 -0.28 0.28 -1.16 0.00 0.00 179.01 178.18 2kfs h VAL 137 N 0.03 1.36 -0.65 3.13 2.07 -1.18 -1.55 116.25 119.46 2kfs h VAL 137 Ca -0.00 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 2kfs h VAL 137 Cb 0.73 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2kfs h VAL 137 CO 0.05 0.46 0.37 0.58 0.02 0.00 0.00 177.57 179.06 2kfs h VAL 138 N 0.06 1.20 -0.87 2.57 2.07 -0.92 -0.04 116.25 120.33 2kfs h VAL 138 Ca 0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2kfs h VAL 138 Cb 0.88 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2kfs h VAL 138 CO 0.06 0.21 0.55 0.03 0.02 0.00 0.00 177.57 178.45 2kfs h ARG 139 N 0.89 1.16 -0.43 1.57 3.08 -1.28 0.11 114.38 119.48 2kfs h ARG 139 Ca 0.23 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2kfs h ARG 139 Cb 0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2kfs h ARG 139 CO -0.04 0.78 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.38 2kfs h ARG 140 N 1.18 0.83 -0.58 0.04 1.12 -0.41 -2.51 114.38 114.05 2kfs h ARG 140 Ca 0.31 -0.32 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2kfs h ARG 140 Cb -0.10 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.79 2kfs h ARG 140 CO -0.06 0.94 0.20 0.00 -3.11 0.00 0.00 179.97 177.94 2kfs h ALA 141 N 1.07 0.76 -0.83 2.80 0.00 -0.19 -2.51 119.26 120.35 2kfs h ALA 141 Ca 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kfs h ALA 141 Cb 0.70 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2kfs h ALA 141 CO 0.05 0.41 0.54 1.96 0.00 0.00 0.00 179.25 182.21 2kfs h GLN 142 N 0.82 1.03 -0.49 0.00 4.20 -0.77 -0.84 115.11 119.05 2kfs h GLN 142 Ca 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2kfs h GLN 142 Cb 0.25 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2kfs h GLN 142 CO -0.01 0.68 0.16 0.00 -0.67 0.00 0.00 178.83 178.99 2kfs h ALA 143 N 1.34 1.37 0.00 3.87 0.00 -1.12 0.22 119.26 124.93 2kfs h ALA 143 Ca 0.32 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2kfs h ALA 143 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2kfs h ALA 143 CO -0.10 0.47 -0.61 1.98 0.00 0.00 0.00 179.25 180.98 2kfs h MET 144 N 0.71 0.00 0.06 0.00 1.85 -0.98 -3.32 114.93 113.24 2kfs h MET 144 Ca 0.17 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 59.11 2kfs h MET 144 Cb 0.20 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 2kfs h MET 144 CO -0.01 0.61 -0.73 0.00 -0.40 0.00 0.00 176.91 176.38 2kfs h ALA 145 N 1.39 0.06 0.00 0.39 0.00 -0.30 -3.52 119.26 117.29 2kfs h ALA 145 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2kfs h ALA 145 Cb 1.28 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2kfs h ALA 145 CO 0.08 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.39