#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 2.94 -0.32 3.17 0.02 -1.26 -4.90 135.00 134.65 2kfs s PRO 2 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 61.00 61.26 2kfs s PRO 2 Cb 0.00 -4.27 0.16 0.00 0.02 0.00 0.00 34.50 30.40 2kfs s PRO 2 CO 0.00 -2.40 0.40 0.20 -0.33 0.00 0.00 177.00 174.87 2kfs s GLY 3 N 5.84 -0.42 0.38 0.52 0.00 -1.26 -5.13 107.32 107.24 2kfs s GLY 3 Ca 0.52 -0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 2kfs s GLY 3 CO 0.19 2.96 1.08 0.50 0.00 0.00 0.00 173.10 177.82 2kfs s ARG 4 N 2.14 4.24 -0.24 2.90 3.00 -1.26 -5.02 118.95 124.71 2kfs s ARG 4 Ca 0.12 1.62 -0.15 0.00 0.00 0.00 0.00 55.73 57.32 2kfs s ARG 4 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 2kfs s ARG 4 CO -0.21 -0.10 0.37 0.00 0.00 0.00 0.00 175.30 175.36 2kfs s ALA 5 N -1.52 3.57 0.00 2.13 0.00 -1.26 -4.96 121.76 119.72 2kfs s ALA 5 Ca 0.55 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2kfs s ALA 5 Cb -0.25 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2kfs s ALA 5 CO 0.32 -0.46 1.96 -0.35 0.00 0.00 0.00 175.76 177.23 2kfs n PRO 6 N 4.87 1.00 -3.14 0.00 -0.04 -1.26 -4.40 135.00 132.04 2kfs n PRO 6 Ca -0.09 -0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 62.93 2kfs n PRO 6 Cb 0.51 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 2kfs n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 7 N 1.77 5.29 0.10 0.55 0.00 -1.26 -4.80 105.19 106.84 2kfs n GLY 7 Ca 0.07 -2.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.16 2kfs n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfs h SER 8 N 3.55 0.33 -3.11 1.61 4.64 -2.04 -3.43 113.55 115.10 2kfs h SER 8 Ca 0.17 -0.43 -0.67 0.00 -0.47 0.00 0.00 61.79 60.39 2kfs h SER 8 Cb 0.57 -0.11 -0.34 0.00 -0.31 0.00 0.00 62.40 62.21 2kfs h SER 8 CO 0.84 1.35 -0.84 -0.89 -0.87 0.00 0.00 176.83 176.42 2kfs s THR 9 N -2.63 2.22 0.41 2.95 2.01 -1.26 -5.10 115.64 114.24 2kfs s THR 9 Ca -0.07 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.83 2kfs s THR 9 Cb 0.07 -1.94 -0.11 0.00 0.01 0.00 0.00 72.50 70.54 2kfs s THR 9 CO 0.85 0.53 0.96 -0.76 -0.69 0.00 0.00 174.62 175.51 2kfs s LEU 10 N 1.29 4.01 -0.84 4.42 1.43 -1.26 -4.98 118.68 122.74 2kfs s LEU 10 Ca 0.04 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.69 2kfs s LEU 10 Cb -0.13 -4.44 0.11 0.00 0.03 0.00 0.00 46.19 41.76 2kfs s LEU 10 CO -0.11 -0.34 1.07 0.00 0.23 0.00 0.00 176.35 177.20 2kfs s ALA 11 N -2.05 3.30 -0.76 4.21 0.00 -1.26 -4.76 121.76 120.44 2kfs s ALA 11 Ca 0.60 -2.50 0.16 0.00 0.00 0.00 0.00 51.96 50.22 2kfs s ALA 11 Cb -0.11 -3.98 0.57 0.00 0.00 0.00 0.00 23.12 19.59 2kfs s ALA 11 CO 0.16 -2.90 1.48 2.89 0.00 0.00 0.00 175.76 177.38 2kfs n ARG 12 N 6.85 3.34 -4.30 0.00 1.85 -1.26 -4.54 116.66 118.61 2kfs n ARG 12 Ca 0.15 -2.68 -0.19 0.00 -1.00 0.00 0.00 57.85 54.14 2kfs n ARG 12 Cb 0.48 -1.74 -0.15 0.00 -1.05 0.00 0.00 32.46 30.00 2kfs n ARG 12 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kfs s VAL 13 N -1.96 0.64 -0.47 8.89 -7.23 -1.26 -4.04 120.40 114.97 2kfs s VAL 13 Ca 0.42 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2kfs s VAL 13 Cb 0.28 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.66 2kfs s VAL 13 CO 0.17 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 2kfs n GLY 14 N 3.18 -0.75 3.39 2.32 0.00 -1.24 -5.05 105.19 107.04 2kfs n GLY 14 Ca -0.17 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.00 6.19 -0.21 1.61 0.01 -1.26 -4.72 113.70 111.32 2kfs s SER 15 Ca 0.00 -1.28 -0.26 0.00 1.31 0.00 0.00 55.95 55.71 2kfs s SER 15 Cb 0.00 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 2kfs s SER 15 CO 0.00 -0.92 0.89 -0.63 0.41 0.00 0.00 173.24 173.00 2kfs s ILE 16 N 2.33 4.81 0.81 1.44 1.09 -1.26 -5.04 121.20 125.37 2kfs s ILE 16 Ca 0.10 1.73 -0.12 0.00 -1.10 0.00 0.00 60.65 61.26 2kfs s ILE 16 Cb -0.23 -4.18 0.08 0.00 -1.06 0.00 0.00 42.46 37.06 2kfs s ILE 16 CO 0.08 -0.07 1.11 -2.16 -0.10 0.00 0.00 174.94 173.80 2kfs s PRO 17 N 2.69 1.99 -0.09 2.79 0.04 -1.26 -5.00 135.00 136.16 2kfs s PRO 17 Ca 0.39 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2kfs s PRO 17 Cb -0.16 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2kfs s PRO 17 CO 0.09 -1.66 -0.07 0.00 0.04 0.00 0.00 177.00 175.40 2kfs s ALA 18 N -3.22 1.12 0.00 8.56 0.00 -1.26 -4.39 121.76 122.58 2kfs s ALA 18 Ca 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2kfs s ALA 18 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2kfs s ALA 18 CO 0.54 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2kfs n GLY 19 N 4.57 3.13 3.64 0.00 0.00 -1.26 -4.71 105.19 110.56 2kfs n GLY 19 Ca -0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 1.01 6.72 0.04 1.61 2.15 -1.26 -1.50 116.67 125.44 2kfs s ASP 20 Ca 0.00 0.89 -0.30 0.00 0.43 0.00 0.00 52.55 53.57 2kfs s ASP 20 Cb 0.00 -2.38 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 2kfs s ASP 20 CO 0.00 -0.39 1.97 1.51 -0.17 0.00 0.00 175.17 178.09 2kfs s ASP 21 N 1.32 6.44 -0.10 -0.34 -4.77 -1.24 -4.57 116.67 113.41 2kfs s ASP 21 Ca 0.31 2.69 -0.08 0.00 -3.30 0.00 0.00 52.55 52.17 2kfs s ASP 21 Cb -0.16 -2.53 -0.27 0.00 -1.09 0.00 0.00 42.92 38.87 2kfs s ASP 21 CO 0.09 -1.06 0.45 0.58 0.70 0.00 0.00 175.17 175.94 2kfs h VAL 22 N 5.60 0.72 -4.26 2.11 2.07 -1.93 -3.47 116.25 117.09 2kfs h VAL 22 Ca -0.50 -2.39 -0.50 0.00 0.82 0.00 0.00 66.70 64.13 2kfs h VAL 22 Cb 1.24 2.58 0.09 0.00 -1.52 0.00 0.00 31.29 33.67 2kfs h VAL 22 CO 0.94 0.88 0.37 -1.48 0.02 0.00 0.00 177.57 178.30 2kfs s LEU 23 N -7.14 3.31 0.30 2.57 0.05 -1.26 -5.01 118.68 111.49 2kfs s LEU 23 Ca -0.21 1.76 -0.28 0.00 0.05 0.00 0.00 54.13 55.45 2kfs s LEU 23 Cb 0.06 -4.52 -0.09 0.00 -2.05 0.00 0.00 46.19 39.59 2kfs s LEU 23 CO 0.79 -1.40 1.04 -0.62 -0.55 0.00 0.00 176.35 175.62 2kfs s ASP 24 N -3.20 7.25 0.64 1.48 -1.08 -1.26 -4.93 116.67 115.58 2kfs s ASP 24 Ca 0.62 2.12 0.29 0.00 -0.52 0.00 0.00 52.55 55.06 2kfs s ASP 24 Cb -0.16 -2.61 1.56 0.00 -1.46 0.00 0.00 42.92 40.25 2kfs s ASP 24 CO 0.46 -0.14 1.90 -0.65 0.52 0.00 0.00 175.17 177.26 2kfs h PRO 25 N 3.57 0.00 0.00 4.34 0.11 -1.97 0.59 132.00 138.64 2kfs h PRO 25 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kfs h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.66 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.98 2kfs n ASP 26 N -3.13 0.58 -4.74 -2.05 2.03 -1.26 -4.80 116.55 103.18 2kfs n ASP 26 Ca 0.01 0.56 -0.41 0.00 0.52 0.00 0.00 54.79 55.47 2kfs n ASP 26 Cb 0.46 -0.71 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kfs s GLU 27 N -3.07 4.62 0.15 -0.67 0.41 0.20 -4.96 118.70 115.37 2kfs s GLU 27 Ca 0.11 1.74 -0.34 0.00 -0.41 0.00 0.00 54.97 56.07 2kfs s GLU 27 Cb 0.14 -3.25 -0.15 0.00 -1.78 0.00 0.00 34.13 29.09 2kfs s GLU 27 CO 0.57 0.13 1.38 -2.30 -0.49 0.00 0.00 175.26 174.55 2kfs n PRO 28 N 2.00 1.58 -4.12 0.39 -0.02 -1.26 -4.95 135.00 128.62 2kfs n PRO 28 Ca 0.01 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 61.97 2kfs n PRO 28 Cb 0.46 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kfs s THR 29 N 0.35 0.45 0.26 3.45 -4.23 -1.26 -2.55 115.64 112.11 2kfs s THR 29 Ca 0.77 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.60 2kfs s THR 29 Cb -0.80 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2kfs s THR 29 CO 0.46 -0.88 0.10 -0.31 -0.54 0.00 0.00 174.62 173.45 2kfs s TYR 30 N -3.49 2.90 0.14 3.99 2.02 0.18 -4.69 117.35 118.39 2kfs s TYR 30 Ca 0.07 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2kfs s TYR 30 Cb 0.05 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2kfs s TYR 30 CO -0.07 0.56 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.94 2kfs s ASP 31 N -3.76 1.19 0.14 2.29 1.11 -1.26 -0.59 116.67 115.79 2kfs s ASP 31 Ca 0.32 -1.10 -0.24 0.00 0.18 0.00 0.00 52.55 51.71 2kfs s ASP 31 Cb -0.07 0.11 0.00 0.00 1.07 0.00 0.00 42.92 44.03 2kfs s ASP 31 CO 0.22 -0.52 1.62 -0.07 1.18 0.00 0.00 175.17 177.60 2kfs h LEU 32 N 2.81 -0.92 -1.34 1.23 3.38 -1.98 0.13 115.31 118.62 2kfs h LEU 32 Ca -0.36 0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2kfs h LEU 32 Cb 1.19 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 2kfs h LEU 32 CO 0.63 -0.33 0.47 1.55 0.09 0.00 0.00 178.44 180.85 2kfs h PRO 33 N -0.33 0.85 -0.27 1.13 0.13 -1.97 -1.38 132.00 130.15 2kfs h PRO 33 Ca 0.11 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 2kfs h PRO 33 Cb 0.51 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2kfs h PRO 33 CO -0.38 0.56 -0.47 0.00 -0.23 0.00 0.00 178.00 177.48 2kfs h ARG 34 N 0.87 0.70 -0.27 0.86 -0.00 -1.61 0.66 114.38 115.60 2kfs h ARG 34 Ca 0.28 -0.40 -0.16 0.00 -0.50 0.00 0.00 59.98 59.20 2kfs h ARG 34 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 2kfs h ARG 34 CO -0.08 1.02 -0.46 0.28 0.00 0.00 0.00 179.97 180.73 2kfs h VAL 35 N 0.56 1.30 -0.85 2.04 2.07 -0.49 0.18 116.25 121.05 2kfs h VAL 35 Ca 0.03 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 65.93 2kfs h VAL 35 Cb 1.03 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2kfs h VAL 35 CO 0.10 0.53 0.54 0.00 0.02 0.00 0.00 177.57 178.76 2kfs h ALA 36 N 0.92 1.14 -0.35 1.67 0.00 -0.95 0.27 119.26 121.96 2kfs h ALA 36 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 36 Cb 1.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kfs h ALA 36 CO 0.10 0.35 0.14 0.93 0.00 0.00 0.00 179.25 180.77 2kfs h GLU 37 N 1.03 0.52 0.02 0.00 5.08 -0.51 0.70 114.58 121.42 2kfs h GLU 37 Ca 0.35 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2kfs h GLU 37 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kfs h GLU 37 CO -0.14 0.51 -0.01 1.25 -1.00 0.00 0.00 179.01 179.62 2kfs h LEU 38 N 0.42 -0.02 0.00 1.33 5.85 0.20 -3.04 115.31 120.05 2kfs h LEU 38 Ca 0.12 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kfs h LEU 38 Cb 0.18 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2kfs h LEU 38 CO -0.01 0.06 -0.58 0.18 -0.34 0.00 0.00 178.44 177.75 2kfs n LEU 39 N -5.07 0.58 -0.65 2.25 4.77 0.00 -4.93 117.00 113.96 2kfs n LEU 39 Ca -0.07 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 2kfs n LEU 39 Cb 0.07 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2kfs n LEU 39 CO 0.33 0.03 -0.07 0.61 -1.33 0.00 0.00 177.39 176.96 2kfs n GLY 40 N 1.41 0.28 3.52 -0.72 0.00 0.12 -5.03 105.19 104.77 2kfs n GLY 40 Ca 0.04 -0.66 -0.24 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 -2.29 2.62 0.80 1.61 -7.23 -0.48 -5.01 120.40 110.42 2kfs s VAL 41 Ca 0.00 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 57.78 2kfs s VAL 41 Cb 0.00 -2.45 0.07 0.00 0.56 0.00 0.00 36.38 34.56 2kfs s VAL 41 CO 0.00 -0.36 1.10 -2.16 -0.31 0.00 0.00 175.10 173.36 2kfs s PRO 42 N -3.56 2.05 0.40 4.82 0.04 -1.26 -4.41 135.00 133.08 2kfs s PRO 42 Ca 0.31 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.63 2kfs s PRO 42 Cb -0.04 -1.87 0.87 0.00 0.04 0.00 0.00 34.50 33.50 2kfs s PRO 42 CO 0.16 -1.80 2.02 0.28 0.04 0.00 0.00 177.00 177.70 2kfs h VAL 43 N -1.24 1.03 -0.84 -0.36 2.07 -1.93 -1.05 116.25 113.93 2kfs h VAL 43 Ca -0.44 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2kfs h VAL 43 Cb 1.24 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2kfs h VAL 43 CO 0.50 0.10 0.47 0.28 0.02 0.00 0.00 177.57 178.95 2kfs h SER 44 N 0.57 1.03 0.15 0.57 0.02 -1.98 -0.03 113.55 113.88 2kfs h SER 44 Ca 0.22 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 2kfs h SER 44 Cb 0.17 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2kfs h SER 44 CO -0.06 0.81 -0.45 0.11 -1.14 0.00 0.00 176.83 176.10 2kfs h LYS 45 N 1.16 0.37 -0.51 3.45 1.57 -1.57 -0.55 116.57 120.50 2kfs h LYS 45 Ca 0.30 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2kfs h LYS 45 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kfs h LYS 45 CO -0.05 0.75 0.28 0.28 -0.57 0.00 0.00 179.45 180.15 2kfs h VAL 46 N 0.30 1.17 -0.53 0.50 2.07 -0.97 -1.25 116.25 117.54 2kfs h VAL 46 Ca 0.02 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2kfs h VAL 46 Cb 0.92 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2kfs h VAL 46 CO 0.08 0.18 0.17 0.00 0.02 0.00 0.00 177.57 178.02 2kfs h ALA 47 N 1.12 1.31 -0.81 1.67 0.00 -0.74 -2.30 119.26 119.50 2kfs h ALA 47 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 47 Cb 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2kfs h ALA 47 CO -0.03 0.50 0.42 1.96 0.00 0.00 0.00 179.25 182.10 2kfs h GLN 48 N 0.76 1.16 -0.58 0.00 1.08 -0.28 0.13 115.11 117.38 2kfs h GLN 48 Ca 0.18 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 2kfs h GLN 48 Cb 0.22 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 2kfs h GLN 48 CO -0.01 0.87 0.36 1.96 -0.95 0.00 0.00 178.83 181.06 2kfs h GLN 49 N 1.14 0.69 -0.76 1.46 1.08 -0.72 0.15 115.11 118.14 2kfs h GLN 49 Ca 0.28 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.41 2kfs h GLN 49 Cb 0.08 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2kfs h GLN 49 CO -0.04 0.45 0.34 1.25 -0.95 0.00 0.00 178.83 179.89 2kfs h LEU 50 N 0.71 1.00 -1.02 1.46 5.85 -1.00 0.28 115.31 122.60 2kfs h LEU 50 Ca 0.23 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2kfs h LEU 50 Cb 0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2kfs h LEU 50 CO -0.10 0.86 -0.37 0.03 -0.34 0.00 0.00 178.44 178.52 2kfs h ARG 51 N 1.09 0.00 -0.01 1.25 2.47 0.12 -3.01 114.38 116.30 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 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2kfs h ARG 51 CO -0.03 0.37 -0.13 0.39 0.56 0.00 0.00 179.97 181.13 2kfs n GLU 52 N -3.60 1.21 -2.55 0.04 -0.58 0.41 -3.68 120.64 111.90 2kfs n GLU 52 Ca -0.01 -0.69 -0.07 0.00 -0.42 0.00 0.00 57.16 55.97 2kfs n GLU 52 Cb 0.49 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 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 1.26 0.33 0.01 0.62 0.00 -0.84 -4.49 105.19 102.08 2kfs n GLY 53 Ca 0.16 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.58 0.01 -3.70 1.61 8.25 0.02 -4.46 115.22 113.38 2kfs n HIS 54 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 2kfs n HIS 54 Cb 0.54 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kfs s LEU 55 N -4.18 0.52 0.05 2.41 2.96 -1.23 -4.51 118.68 114.69 2kfs s LEU 55 Ca -0.04 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2kfs s LEU 55 Cb 0.14 1.74 -0.02 0.00 0.50 0.00 0.00 46.19 48.55 2kfs s LEU 55 CO 0.90 -0.87 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.25 2kfs s VAL 56 N -3.83 0.97 0.06 1.68 1.01 -1.26 -4.46 120.40 114.57 2kfs s VAL 56 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2kfs s VAL 56 Cb 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2kfs s VAL 56 CO -0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 175.10 174.77 2kfs s ALA 57 N -1.01 0.89 0.25 5.51 0.00 -1.26 -4.59 121.76 121.55 2kfs s ALA 57 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2kfs s ALA 57 Cb -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2kfs s ALA 57 CO 0.01 0.05 -0.00 0.14 0.00 0.00 0.00 175.76 175.96 2kfs s VAL 58 N -1.53 1.15 -0.18 0.00 -7.23 0.38 -4.30 120.40 108.68 2kfs s VAL 58 Ca -0.04 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2kfs s VAL 58 Cb -0.09 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 2kfs s VAL 58 CO 0.01 -0.26 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.83 2kfs s ARG 59 N -3.85 3.28 -0.25 4.82 3.52 -0.56 -0.49 118.95 125.42 2kfs s ARG 59 Ca 0.30 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 55.20 2kfs s ARG 59 Cb 0.06 -2.78 0.03 0.00 -1.56 0.00 0.00 34.95 30.70 2kfs s ARG 59 CO 0.10 -0.07 -0.08 -0.98 -0.81 0.00 0.00 175.30 173.46 2kfs s ARG 60 N 1.08 2.68 0.00 5.12 1.70 0.10 -3.72 118.95 125.91 2kfs s ARG 60 Ca 0.00 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 2kfs s ARG 60 Cb -0.15 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2kfs s ARG 60 CO -0.03 -0.44 0.00 0.00 -1.08 0.00 0.00 175.30 173.75 2kfs n ALA 61 N 4.61 0.00 0.00 7.88 0.00 -1.26 -0.57 120.51 131.17 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 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.56 0.62 3.86 0.00 0.00 -1.26 -5.14 105.19 101.70 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 2.39 -0.26 -0.02 0.00 0.27 -5.02 107.32 104.68 2kfs s GLY 63 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 2kfs s GLY 63 CO 0.00 0.02 0.28 0.14 0.00 0.00 0.00 173.10 173.55 2kfs s VAL 64 N -1.54 5.25 0.12 1.40 1.01 -1.26 0.00 120.40 125.38 2kfs s VAL 64 Ca 0.39 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2kfs s VAL 64 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.20 0.23 -0.10 0.68 0.00 0.00 0.00 175.10 176.11 2kfs s VAL 65 N 1.68 1.08 -0.12 2.92 -7.23 0.36 -4.29 120.40 114.80 2kfs s VAL 65 Ca 0.12 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2kfs s VAL 65 Cb -0.15 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.17 2kfs s VAL 65 CO 0.09 -0.66 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.47 2kfs s ILE 66 N -2.93 1.36 0.23 -0.62 1.01 0.24 -0.47 121.20 120.02 2kfs s ILE 66 Ca 0.12 -0.52 -0.32 0.00 0.00 0.00 0.00 60.65 59.93 2kfs s ILE 66 Cb 0.00 -1.29 -0.13 0.00 0.01 0.00 0.00 42.46 41.06 2kfs s ILE 66 CO 0.00 0.42 1.59 -2.65 0.00 0.00 0.00 174.94 174.30 2kfs n PRO 67 N 4.60 2.44 -0.34 2.79 -0.02 -1.26 0.50 135.00 143.70 2kfs n PRO 67 Ca -0.17 0.87 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 2kfs n PRO 67 Cb 0.50 -2.64 0.43 0.00 -0.02 0.00 0.00 33.50 31.77 2kfs n PRO 67 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kfs h GLN 68 N 5.48 0.50 0.00 -0.52 1.08 -1.77 -1.53 115.11 118.35 2kfs h GLN 68 Ca -0.45 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2kfs h GLN 68 Cb 1.24 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2kfs h GLN 68 CO 0.85 0.33 0.00 1.33 -0.95 0.00 0.00 178.83 180.39 2kfs n VAL 69 N -4.77 1.31 0.70 -0.54 0.24 -1.26 -1.36 118.33 112.65 2kfs n VAL 69 Ca 0.26 0.38 0.13 0.00 -2.04 0.00 0.00 64.34 63.07 2kfs n VAL 69 Cb 0.79 -1.26 0.48 0.00 -1.47 0.00 0.00 33.84 32.38 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 -1.67 0.55 -4.41 6.34 3.01 -0.57 -4.69 117.46 116.01 2kfs n PHE 70 Ca 0.02 0.17 -0.32 0.00 1.01 0.00 0.00 57.45 58.33 2kfs n PHE 70 Cb 0.11 -0.78 -0.10 0.00 -0.01 0.00 0.00 39.48 38.70 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 -3.09 2.89 1.02 1.38 0.08 -0.46 -3.35 117.98 116.45 2kfs s PHE 71 Ca 0.10 -0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.95 2kfs s PHE 71 Cb 0.14 -1.59 0.21 0.00 -0.57 0.00 0.00 43.02 41.20 2kfs s PHE 71 CO 0.52 0.39 1.20 0.95 -0.10 0.00 0.00 175.22 178.18 2kfs s THR 72 N -1.04 1.87 -0.03 0.64 -4.23 0.12 -4.84 115.64 108.14 2kfs s THR 72 Ca 0.18 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.99 2kfs s THR 72 Cb -0.11 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.28 2kfs s THR 72 CO 0.09 0.00 1.91 -1.13 -0.54 0.00 0.00 174.62 174.95 2kfs h ASN 73 N -1.89 0.00 0.01 3.99 -1.24 -1.88 0.12 115.58 114.69 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2kfs h ASN 73 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2kfs h ASN 73 CO 0.44 0.00 -0.03 -1.54 -1.29 0.00 0.00 177.43 175.01 2kfs n SER 74 N -2.64 1.47 -0.59 1.15 3.41 -1.26 -4.93 113.62 110.23 2kfs n SER 74 Ca -0.00 -1.44 -0.06 0.00 -0.26 0.00 0.00 58.87 57.11 2kfs n SER 74 Cb 0.18 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfs n GLY 75 N 1.20 0.37 3.61 5.00 0.00 0.42 -5.03 105.19 110.75 2kfs n GLY 75 Ca 0.18 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.67 2.18 0.31 1.61 0.74 -1.26 -4.83 119.66 114.74 2kfs s GLN 76 Ca 0.00 -1.37 -0.29 0.00 0.05 0.00 0.00 55.36 53.76 2kfs s GLN 76 Cb 0.00 -2.15 -0.09 0.00 1.10 0.00 0.00 33.01 31.87 2kfs s GLN 76 CO 0.00 0.39 1.12 0.08 -0.55 0.00 0.00 175.29 176.33 2kfs s VAL 77 N -2.08 3.41 0.15 1.34 1.01 -1.26 0.14 120.40 123.10 2kfs s VAL 77 Ca 0.29 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 2kfs s VAL 77 Cb -0.07 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 2kfs s VAL 77 CO 0.18 0.29 1.60 -0.69 0.00 0.00 0.00 175.10 176.48 2kfs s VAL 78 N -1.23 2.67 0.20 2.92 1.01 -1.21 -4.83 120.40 119.94 2kfs s VAL 78 Ca 0.47 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 2kfs s VAL 78 Cb -0.32 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 32.92 2kfs s VAL 78 CO 0.41 0.02 1.83 0.50 0.00 0.00 0.00 175.10 177.86 2kfs h LYS 79 N 7.18 0.74 -0.07 2.72 3.64 -1.95 -1.71 116.57 127.10 2kfs h LYS 79 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2kfs h LYS 79 Cb 1.20 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2kfs h LYS 79 CO 0.92 0.49 0.00 0.45 -2.27 0.00 0.00 179.45 179.04 2kfs n SER 80 N -4.73 1.54 0.02 4.20 2.88 -1.26 -4.12 113.62 112.16 2kfs n SER 80 Ca 0.07 -1.57 -0.13 0.00 -1.33 0.00 0.00 58.87 55.91 2kfs n SER 80 Cb 0.11 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.44 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 2.27 -0.02 -2.51 2.46 6.46 -1.69 -1.00 115.31 121.27 2kfs h LEU 81 Ca 0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2kfs h LEU 81 Cb 0.49 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2kfs h LEU 81 CO 0.00 0.28 0.02 -0.65 -0.62 0.00 0.00 178.44 177.47 2kfs h PRO 82 N -0.32 0.00 -0.38 5.25 0.11 -1.72 -1.40 132.00 133.54 2kfs h PRO 82 Ca -0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2kfs h PRO 82 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2kfs h PRO 82 CO 0.00 0.00 -0.10 0.78 -0.21 0.00 0.00 178.00 178.48 2kfs h GLY 83 N 0.00 0.79 1.11 -0.55 0.00 -1.61 0.61 103.07 103.42 2kfs h GLY 83 Ca 0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 2kfs h GLY 83 CO -0.00 0.60 -0.03 0.17 0.00 0.00 0.00 176.54 177.28 2kfs h LEU 84 N 0.53 1.04 -1.31 3.11 8.10 -0.16 -2.35 115.31 124.27 2kfs h LEU 84 Ca 0.09 -0.31 -0.02 0.00 0.11 0.00 0.00 57.88 57.76 2kfs h LEU 84 Cb 0.61 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.53 2kfs h LEU 84 CO 0.04 1.11 0.26 -0.07 -4.11 0.00 0.00 178.44 175.67 2kfs h LEU 85 N 0.95 0.66 0.07 0.17 3.38 -1.15 -1.25 115.31 118.15 2kfs h LEU 85 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kfs h LEU 85 Cb 0.60 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kfs h LEU 85 CO 0.04 0.56 -0.05 0.74 0.09 0.00 0.00 178.44 179.81 2kfs h THR 86 N 0.74 0.88 -0.32 0.22 2.02 -0.33 0.30 112.91 116.42 2kfs h THR 86 Ca 0.19 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.27 2kfs h THR 86 Cb 0.07 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2kfs h THR 86 CO -0.03 0.00 -0.19 -0.29 0.37 0.00 0.00 175.52 175.38 2kfs h ILE 87 N -0.13 1.29 -0.31 3.11 -0.00 -1.28 -1.89 117.51 118.30 2kfs h ILE 87 Ca -0.00 -1.32 -0.09 0.00 -0.00 0.00 0.00 64.86 63.45 2kfs h ILE 87 Cb 0.12 1.45 -0.02 0.00 -0.00 0.00 0.00 36.82 38.38 2kfs h ILE 87 CO -0.01 0.43 -0.19 -0.07 -0.00 0.00 0.00 178.15 178.31 2kfs h LEU 88 N 0.46 0.55 -0.66 2.19 -0.00 -1.15 -1.03 115.31 115.67 2kfs h LEU 88 Ca 0.07 -0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 57.71 2kfs h LEU 88 Cb 0.73 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 2kfs h LEU 88 CO 0.05 0.75 0.18 -0.74 -0.00 0.00 0.00 178.44 178.69 2kfs h HIS 89 N 0.50 1.10 -0.01 1.13 2.76 -0.24 0.10 115.15 120.49 2kfs h HIS 89 Ca 0.08 -0.12 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 2kfs h HIS 89 Cb 0.61 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2kfs h HIS 89 CO 0.02 0.90 -0.45 0.22 -1.30 0.00 0.00 177.93 177.32 2kfs h ASP 90 N 0.98 0.01 0.57 3.26 3.58 -1.06 -1.68 116.42 122.08 2kfs h ASP 90 Ca 0.21 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kfs h ASP 90 Cb 0.34 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2kfs h ASP 90 CO -0.00 0.47 -0.06 0.61 -2.88 0.00 0.00 179.24 177.38 2kfs n GLY 91 N -0.22 -1.22 2.07 -0.78 0.00 -0.41 -4.93 105.19 99.70 2kfs n GLY 91 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 1.33 0.22 3.71 -0.02 0.00 -0.04 -5.02 105.19 105.37 2kfs n GLY 92 Ca 0.13 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.21 3.50 0.89 1.61 2.02 0.16 -5.01 117.35 118.31 2kfs s TYR 93 Ca 0.00 0.94 -0.13 0.00 -0.37 0.00 0.00 57.07 57.51 2kfs s TYR 93 Cb -0.00 -2.61 0.13 0.00 -0.40 0.00 0.00 41.96 39.07 2kfs s TYR 93 CO 0.00 0.11 1.19 -0.98 -1.57 0.00 0.00 175.55 174.31 2kfs s ARG 94 N 0.81 1.33 0.21 -0.62 1.70 -1.26 -4.59 118.95 116.54 2kfs s ARG 94 Ca 0.28 0.06 -0.09 0.00 -0.47 0.00 0.00 55.73 55.51 2kfs s ARG 94 Cb -0.16 -1.88 0.28 0.00 -0.57 0.00 0.00 34.95 32.63 2kfs s ARG 94 CO 0.11 -2.02 1.76 0.38 -1.08 0.00 0.00 175.30 174.45 2kfs h ASP 95 N -1.37 0.29 -0.81 -2.89 2.03 -1.93 -0.79 116.42 110.95 2kfs h ASP 95 Ca -0.47 0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 55.88 2kfs h ASP 95 Cb 1.31 0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.81 2kfs h ASP 95 CO 0.58 0.17 0.43 0.74 -1.03 0.00 0.00 179.24 180.14 2kfs h THR 96 N 0.46 1.24 -0.57 1.15 2.02 -1.90 -1.94 112.91 113.37 2kfs h THR 96 Ca 0.31 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 2kfs h THR 96 Cb 0.36 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2kfs h THR 96 CO -0.29 0.28 -0.02 -0.33 0.37 0.00 0.00 175.52 175.53 2kfs h GLU 97 N 1.14 1.02 -0.13 6.66 4.39 -1.55 -0.59 114.58 125.51 2kfs h GLU 97 Ca 0.28 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kfs h GLU 97 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2kfs h GLU 97 CO -0.04 1.01 0.08 0.82 -1.16 0.00 0.00 179.01 179.71 2kfs h ILE 98 N 0.93 1.07 0.00 3.13 1.08 -0.52 -1.92 117.51 121.27 2kfs h ILE 98 Ca 0.16 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2kfs h ILE 98 Cb 0.57 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kfs h ILE 98 CO 0.03 0.06 -0.10 0.24 -0.69 0.00 0.00 178.15 177.70 2kfs h MET 99 N 0.14 0.00 0.30 2.37 2.86 -1.34 -3.11 114.93 116.14 2kfs h MET 99 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2kfs h MET 99 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kfs h MET 99 CO -0.01 0.10 -0.26 -0.09 1.06 0.00 0.00 176.91 177.71 2kfs h ARG 100 N 0.00 -0.53 -0.11 1.72 2.43 -0.26 0.79 114.38 118.41 2kfs h ARG 100 Ca -0.00 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2kfs h ARG 100 Cb 0.82 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2kfs h ARG 100 CO 0.01 -0.35 -0.41 0.11 -1.51 0.00 0.00 179.97 177.82 2kfs h TRP 101 N -0.55 0.29 -0.42 2.20 5.08 -1.66 -2.99 115.95 117.90 2kfs h TRP 101 Ca -0.04 -0.08 -0.11 0.00 1.08 0.00 0.00 58.89 59.74 2kfs h TRP 101 Cb 0.47 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 2kfs h TRP 101 CO -0.13 0.62 -0.18 1.25 -1.28 0.00 0.00 178.44 178.72 2kfs h LEU 102 N 0.21 0.82 -1.11 0.11 5.85 -1.44 -2.78 115.31 116.97 2kfs h LEU 102 Ca 0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2kfs h LEU 102 Cb 0.81 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2kfs h LEU 102 CO 0.06 0.99 -0.09 0.49 -0.34 0.00 0.00 178.44 179.55 2kfs n PHE 103 N -4.13 0.00 -2.97 1.25 3.01 0.25 -3.37 117.46 111.50 2kfs n PHE 103 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 2kfs n PHE 103 Cb 0.41 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.81 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 4.81 0.15 4.37 2.01 -1.05 -4.87 115.64 118.92 2kfs s THR 104 Ca 0.31 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 63.10 2kfs s THR 104 Cb 0.20 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2kfs s THR 104 CO 0.38 -0.25 1.62 -2.84 -0.69 0.00 0.00 174.62 172.85 2kfs s PRO 105 N 2.91 4.20 -0.23 4.92 0.02 -1.26 -4.38 135.00 141.17 2kfs s PRO 105 Ca 0.31 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.63 2kfs s PRO 105 Cb -0.14 -3.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 2kfs s PRO 105 CO 0.13 -0.67 0.15 0.34 -0.33 0.00 0.00 177.00 176.62 2kfs s ASP 106 N 1.50 6.07 0.50 2.53 2.15 -0.69 -4.75 116.67 123.97 2kfs s ASP 106 Ca 0.72 0.11 0.15 0.00 0.43 0.00 0.00 52.55 53.96 2kfs s ASP 106 Cb -0.44 -2.09 1.19 0.00 -0.30 0.00 0.00 42.92 41.28 2kfs s ASP 106 CO 0.32 0.08 2.12 1.55 -0.17 0.00 0.00 175.17 179.07 2kfs h PRO 107 N 7.38 0.06 -0.26 4.34 0.13 -1.91 -1.07 132.00 140.67 2kfs h PRO 107 Ca -0.38 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kfs h PRO 107 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.67 0.07 0.00 -1.13 -0.23 0.00 0.00 178.00 177.38 2kfs n SER 108 N -4.50 2.13 -4.61 1.44 3.41 -1.26 -4.25 113.62 105.99 2kfs n SER 108 Ca -0.02 -1.82 -0.36 0.00 -0.26 0.00 0.00 58.87 56.41 2kfs n SER 108 Cb 0.11 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.45 3.85 -0.20 1.04 2.96 -0.41 -5.00 118.68 119.47 2kfs s LEU 109 Ca 0.33 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 2kfs s LEU 109 Cb 0.18 -2.01 0.06 0.00 0.50 0.00 0.00 46.19 44.92 2kfs s LEU 109 CO 0.26 0.09 0.00 -0.89 -1.32 0.00 0.00 176.35 174.49 2kfs s THR 110 N 0.88 0.84 0.19 3.68 2.01 -1.26 -0.35 115.64 121.64 2kfs s THR 110 Ca 0.05 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2kfs s THR 110 Cb -0.13 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2kfs s THR 110 CO 0.03 -0.15 0.01 0.27 -0.69 0.00 0.00 174.62 174.09 2kfs s ILE 111 N 1.71 0.72 0.12 1.82 -4.36 -0.68 -4.91 121.20 115.63 2kfs s ILE 111 Ca -0.02 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.17 2kfs s ILE 111 Cb -0.17 -2.19 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 2kfs s ILE 111 CO -0.07 -0.42 0.65 0.28 0.24 0.00 0.00 174.94 175.62 2kfs s THR 112 N -3.63 4.61 0.21 8.37 -1.32 -1.26 0.36 115.64 122.98 2kfs s THR 112 Ca 0.26 1.36 -0.30 0.00 -1.21 0.00 0.00 61.69 61.80 2kfs s THR 112 Cb 0.06 -3.96 -0.08 0.00 -1.51 0.00 0.00 72.50 67.00 2kfs s THR 112 CO 0.05 0.50 1.17 -0.60 -2.21 0.00 0.00 174.62 173.53 2kfs s ARG 113 N -1.25 4.53 0.11 7.08 6.06 -0.87 -4.75 118.95 129.85 2kfs s ARG 113 Ca 0.33 1.86 -0.31 0.00 -2.50 0.00 0.00 55.73 55.11 2kfs s ARG 113 Cb -0.20 -3.23 -0.09 0.00 0.06 0.00 0.00 34.95 31.49 2kfs s ARG 113 CO 0.22 -0.01 1.68 0.34 -2.50 0.00 0.00 175.30 175.02 2kfs s ASP 114 N -0.13 6.55 0.00 -2.12 2.15 -1.26 -1.16 116.67 120.71 2kfs s ASP 114 Ca 0.51 2.59 0.00 0.00 0.43 0.00 0.00 52.55 56.07 2kfs s ASP 114 Cb -0.32 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.72 2kfs s ASP 114 CO 0.38 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 175.09 2kfs n GLY 115 N 4.00 2.82 2.65 2.66 0.00 -1.26 -5.02 105.19 111.03 2kfs n GLY 115 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfs n SER 116 N 0.00 2.39 -0.01 1.61 2.88 -0.31 -5.04 113.62 115.15 2kfs n SER 116 Ca 0.00 -2.38 0.01 0.00 -1.33 0.00 0.00 58.87 55.17 2kfs n SER 116 Cb 0.00 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2kfs n SER 116 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kfs n ARG 117 N -1.30 1.13 -2.21 -1.46 1.85 -1.26 -4.70 116.66 108.71 2kfs n ARG 117 Ca -0.04 -0.03 -0.32 0.00 -1.00 0.00 0.00 57.85 56.46 2kfs n ARG 117 Cb 0.44 -1.13 -0.02 0.00 -1.05 0.00 0.00 32.46 30.71 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kfs s ASP 118 N -2.94 6.48 -0.10 2.89 1.01 -1.26 -4.86 116.67 117.89 2kfs s ASP 118 Ca -0.02 1.51 -0.08 0.00 0.71 0.00 0.00 52.55 54.68 2kfs s ASP 118 Cb 0.03 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2kfs s ASP 118 CO 0.22 -0.69 0.18 0.00 0.21 0.00 0.00 175.17 175.09 2kfs s ALA 119 N -2.82 3.86 -0.15 5.23 0.00 -1.26 -2.06 121.76 124.57 2kfs s ALA 119 Ca 0.57 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2kfs s ALA 119 Cb -0.10 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.03 2kfs s ALA 119 CO 0.39 0.61 -0.13 0.08 0.00 0.00 0.00 175.76 176.71 2kfs s VAL 120 N -1.06 1.52 0.10 0.00 1.01 0.16 -4.93 120.40 117.19 2kfs s VAL 120 Ca 0.17 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2kfs s VAL 120 Cb -0.13 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2kfs s VAL 120 CO 0.06 0.45 0.68 -0.55 0.00 0.00 0.00 175.10 175.74 2kfs s SER 121 N 1.51 7.22 -0.50 3.32 0.15 -1.26 -1.69 113.70 122.44 2kfs s SER 121 Ca 0.05 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 2kfs s SER 121 Cb -0.13 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2kfs s SER 121 CO -0.10 0.21 0.47 -3.20 1.20 0.00 0.00 173.24 171.81 2kfs n ASN 122 N 1.85 -5.65 -4.46 5.45 5.15 0.53 -4.98 115.26 113.16 2kfs n ASN 122 Ca -0.07 -0.10 -0.23 0.00 -0.60 0.00 0.00 54.58 53.58 2kfs n ASN 122 Cb 0.50 -3.75 -0.10 0.00 -0.53 0.00 0.00 39.78 35.89 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -3.03 2.57 0.07 5.20 0.00 -1.24 -4.67 121.76 120.65 2kfs s ALA 123 Ca 0.04 -1.91 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 2kfs s ALA 123 Cb -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2kfs s ALA 123 CO 0.48 0.08 1.15 -0.98 0.00 0.00 0.00 175.76 176.49 2kfs s ARG 124 N -3.62 4.48 0.48 0.00 1.70 -1.26 -1.71 118.95 119.02 2kfs s ARG 124 Ca 0.29 1.70 0.25 0.00 -0.47 0.00 0.00 55.73 57.51 2kfs s ARG 124 Cb 0.00 -3.36 1.37 0.00 -0.57 0.00 0.00 34.95 32.40 2kfs s ARG 124 CO 0.13 -0.17 1.74 -1.35 -1.08 0.00 0.00 175.30 174.57 2kfs h PRO 125 N 6.56 0.00 -0.71 3.89 0.11 -1.76 -1.54 132.00 138.55 2kfs h PRO 125 Ca -0.42 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.70 2kfs h PRO 125 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 125 CO 0.79 0.00 0.46 0.28 -0.21 0.00 0.00 178.00 179.32 2kfs h VAL 126 N 0.00 1.17 0.00 3.15 2.07 -1.91 -1.76 116.25 118.96 2kfs h VAL 126 Ca 0.00 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2kfs h VAL 126 Cb 0.39 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2kfs h VAL 126 CO 0.00 0.17 -0.37 0.44 0.02 0.00 0.00 177.57 177.83 2kfs h ASP 127 N 0.94 0.00 0.21 0.57 5.19 -1.64 -0.10 116.42 121.60 2kfs h ASP 127 Ca 0.26 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 2kfs h ASP 127 Cb -0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2kfs h ASP 127 CO -0.07 0.37 -0.10 0.00 -3.12 0.00 0.00 179.24 176.33 2kfs h ALA 128 N 1.63 -0.29 -0.21 3.45 0.00 -1.44 -2.01 119.26 120.39 2kfs h ALA 128 Ca -0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2kfs h ALA 128 Cb 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kfs h ALA 128 CO 0.05 -0.56 -0.32 1.37 0.00 0.00 0.00 179.25 179.80 2kfs h LEU 129 N -0.50 0.43 -1.35 0.00 8.10 -0.96 0.58 115.31 121.62 2kfs h LEU 129 Ca -0.03 -0.16 -0.04 0.00 0.11 0.00 0.00 57.88 57.76 2kfs h LEU 129 Cb 0.37 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2kfs h LEU 129 CO 0.05 0.73 -0.19 -0.74 -4.11 0.00 0.00 178.44 174.17 2kfs h HIS 130 N 0.36 0.00 -0.50 0.17 2.76 -1.00 -1.03 115.15 115.91 2kfs h HIS 130 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2kfs h HIS 130 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2kfs h HIS 130 CO 0.02 0.19 0.00 0.00 -1.30 0.00 0.00 177.93 176.85 2kfs n ALA 131 N -2.24 3.10 -2.18 5.26 0.00 -0.76 -4.85 120.51 118.85 2kfs n ALA 131 Ca -0.00 -1.79 -0.17 0.00 0.00 0.00 0.00 53.44 51.48 2kfs n ALA 131 Cb 0.38 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 0.53 -0.66 -0.98 0.00 -0.00 -0.39 -4.85 115.22 108.87 2kfs n HIS 132 Ca 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.93 2kfs n HIS 132 Cb 0.89 -3.31 0.33 0.00 -0.00 0.00 0.00 29.99 27.91 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 -2.59 4.07 0.02 -0.41 6.02 0.20 -4.67 117.38 120.01 2kfs n GLN 133 Ca -0.19 -3.08 0.22 0.00 -0.01 0.00 0.00 57.00 53.93 2kfs n GLN 133 Cb 0.63 -2.24 0.73 0.00 1.02 0.00 0.00 30.24 30.39 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 3.07 2.35 -0.80 -1.58 0.00 -1.79 -2.82 119.26 117.70 2kfs h ALA 134 Ca 0.20 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2kfs h ALA 134 Cb 2.25 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 2kfs h ALA 134 CO 0.68 -0.72 0.52 0.00 0.00 0.00 0.00 179.25 179.74 2kfs h ARG 135 N 0.00 0.76 -0.16 0.00 3.08 -1.93 0.15 114.38 116.28 2kfs h ARG 135 Ca 0.25 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 2kfs h ARG 135 Cb 1.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2kfs h ARG 135 CO -0.00 0.50 -0.32 1.49 -1.07 0.00 0.00 179.97 180.57 2kfs h GLU 136 N 0.78 0.32 -0.23 0.04 4.57 -1.91 0.46 114.58 118.60 2kfs h GLU 136 Ca 0.37 -0.13 -0.19 0.00 -1.18 0.00 0.00 59.36 58.23 2kfs h GLU 136 Cb 0.39 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2kfs h GLU 136 CO -0.14 0.61 -0.59 0.28 -1.18 0.00 0.00 179.01 177.99 2kfs h VAL 137 N 0.28 1.28 -0.52 0.32 2.07 -0.99 0.37 116.25 119.07 2kfs h VAL 137 Ca 0.04 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2kfs h VAL 137 Cb 0.71 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2kfs h VAL 137 CO 0.05 0.57 0.27 0.58 0.02 0.00 0.00 177.57 179.07 2kfs h VAL 138 N 0.57 1.18 -0.37 2.57 2.07 -0.50 0.12 116.25 121.89 2kfs h VAL 138 Ca -0.01 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2kfs h VAL 138 Cb 1.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2kfs h VAL 138 CO 0.13 0.20 0.17 -0.09 0.02 0.00 0.00 177.57 178.00 2kfs h ARG 139 N 0.69 0.34 -0.27 1.57 2.43 -0.75 0.72 114.38 119.10 2kfs h ARG 139 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2kfs h ARG 139 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2kfs h ARG 139 CO -0.03 0.23 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.42 2kfs h ARG 140 N 0.35 0.47 -0.22 0.20 9.65 -0.43 1.00 114.38 125.40 2kfs h ARG 140 Ca 0.16 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2kfs h ARG 140 Cb 0.08 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2kfs h ARG 140 CO -0.12 0.61 -0.01 0.00 2.80 0.00 0.00 179.97 183.25 2kfs h ALA 141 N 1.41 0.30 -0.19 2.80 0.00 -0.28 -1.03 119.26 122.27 2kfs h ALA 141 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kfs h ALA 141 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kfs h ALA 141 CO 0.03 0.04 0.12 1.96 0.00 0.00 0.00 179.25 181.40 2kfs h GLN 142 N 0.15 0.24 0.00 0.00 4.20 -0.27 -2.11 115.11 117.32 2kfs h GLN 142 Ca 0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2kfs h GLN 142 Cb 0.43 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2kfs h GLN 142 CO 0.01 0.16 -0.15 0.00 -0.67 0.00 0.00 178.83 178.18 2kfs h ALA 143 N 1.08 1.73 -0.12 3.87 0.00 -0.75 0.30 119.26 125.36 2kfs h ALA 143 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2kfs h ALA 143 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kfs h ALA 143 CO -0.03 0.19 -0.55 1.98 0.00 0.00 0.00 179.25 180.84 2kfs h MET 144 N 0.00 0.36 0.00 0.00 1.85 -0.58 -3.40 114.93 113.16 2kfs h MET 144 Ca -0.00 -0.23 -0.04 0.00 -0.61 0.00 0.00 59.70 58.82 2kfs h MET 144 Cb 0.27 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 2kfs h MET 144 CO 0.02 0.82 -0.77 0.00 -0.40 0.00 0.00 176.91 176.58 2kfs n ALA 145 N -2.49 1.74 -0.27 0.39 0.00 -0.82 -5.10 120.51 113.97 2kfs n ALA 145 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2kfs n ALA 145 Cb 0.59 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2kfs n ALA 145 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16