#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 4.42 0.00 0.03 0.05 -1.26 -4.94 135.00 133.30 2kfs s PRO 2 Ca 0.00 1.46 0.23 0.00 0.05 0.00 0.00 61.00 62.74 2kfs s PRO 2 Cb 0.00 -3.53 0.55 0.00 0.05 0.00 0.00 34.50 31.56 2kfs s PRO 2 CO 0.00 -0.32 1.48 0.41 0.05 0.00 0.00 177.00 178.62 2kfs n GLY 3 N 3.14 2.15 3.73 0.56 0.00 -1.26 -4.93 105.19 108.58 2kfs n GLY 3 Ca 0.09 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N -1.23 4.52 -0.17 1.61 3.00 -1.26 -4.54 118.95 120.88 2kfs s ARG 4 Ca 0.44 1.74 -0.09 0.00 0.00 0.00 0.00 55.73 57.82 2kfs s ARG 4 Cb 0.24 -3.31 0.03 0.00 0.00 0.00 0.00 34.95 31.92 2kfs s ARG 4 CO 0.33 -0.07 0.18 0.00 0.00 0.00 0.00 175.30 175.74 2kfs n ALA 5 N 3.02 -3.58 0.31 2.13 0.00 -1.26 -4.88 120.51 116.25 2kfs n ALA 5 Ca 0.05 1.79 -0.03 0.00 0.00 0.00 0.00 53.44 55.25 2kfs n ALA 5 Cb 0.46 -3.50 0.09 0.00 0.00 0.00 0.00 19.45 16.51 2kfs n ALA 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kfs n PRO 6 N 1.28 1.80 -1.55 0.00 -0.04 -1.26 -4.79 135.00 130.44 2kfs n PRO 6 Ca -0.30 -1.02 -0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2kfs n PRO 6 Cb 0.47 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.07 -0.34 3.04 0.55 0.00 -1.26 -5.10 105.19 102.14 2kfs n GLY 7 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2kfs n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 8 N -2.00 0.33 0.01 1.61 1.04 -1.26 -5.16 113.70 108.27 2kfs s SER 8 Ca 0.00 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2kfs s SER 8 Cb -0.00 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2kfs s SER 8 CO 0.02 -0.44 -0.06 -0.89 0.98 0.00 0.00 173.24 172.86 2kfs s THR 9 N -2.56 3.73 0.56 2.02 2.01 -1.26 -5.09 115.64 115.05 2kfs s THR 9 Ca -0.06 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.26 2kfs s THR 9 Cb -0.02 -2.63 0.07 0.00 0.01 0.00 0.00 72.50 69.92 2kfs s THR 9 CO -0.05 0.38 0.62 -0.76 -0.69 0.00 0.00 174.62 174.12 2kfs s LEU 10 N -1.47 2.92 0.00 4.42 1.43 -1.26 -5.14 118.68 119.57 2kfs s LEU 10 Ca 0.18 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2kfs s LEU 10 Cb -0.11 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2kfs s LEU 10 CO 0.08 -1.24 0.15 0.00 0.23 0.00 0.00 176.35 175.58 2kfs n ALA 11 N -2.03 0.29 -3.63 4.21 0.00 -1.26 -5.14 120.51 112.95 2kfs n ALA 11 Ca 0.08 -0.67 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 2kfs n ALA 11 Cb 0.63 0.26 -0.17 0.00 0.00 0.00 0.00 19.45 20.17 2kfs n ALA 11 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kfs s ARG 12 N -2.72 0.02 -0.22 0.00 3.03 -1.26 -5.03 118.95 112.77 2kfs s ARG 12 Ca 0.12 0.16 -0.04 0.00 2.03 0.00 0.00 55.73 58.00 2kfs s ARG 12 Cb -0.01 -1.18 0.09 0.00 -1.03 0.00 0.00 34.95 32.82 2kfs s ARG 12 CO 0.07 -0.52 0.17 0.54 -1.13 0.00 0.00 175.30 174.43 2kfs s VAL 13 N 2.18 -0.20 -0.91 4.99 0.11 -1.26 -4.81 120.40 120.51 2kfs s VAL 13 Ca 0.04 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 2kfs s VAL 13 Cb -0.14 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2kfs s VAL 13 CO -0.07 -0.39 0.54 0.61 -3.33 0.00 0.00 175.10 172.45 2kfs n GLY 14 N 5.29 -0.02 3.42 6.54 0.00 -1.26 -4.94 105.19 114.22 2kfs n GLY 14 Ca -0.06 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 2kfs n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 15 N -2.99 6.20 -0.14 1.61 1.04 -1.26 -4.37 113.70 113.79 2kfs s SER 15 Ca 0.27 -1.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.28 2kfs s SER 15 Cb -0.12 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2kfs s SER 15 CO 0.33 -1.19 1.22 -0.63 0.98 0.00 0.00 173.24 173.94 2kfs s ILE 16 N 3.23 4.32 0.81 -1.02 1.09 -1.26 -5.01 121.20 123.35 2kfs s ILE 16 Ca 0.17 1.61 -0.12 0.00 -1.10 0.00 0.00 60.65 61.22 2kfs s ILE 16 Cb -0.20 -4.04 0.08 0.00 -1.06 0.00 0.00 42.46 37.24 2kfs s ILE 16 CO 0.09 -0.09 1.10 -2.16 -0.10 0.00 0.00 174.94 173.78 2kfs s PRO 17 N 3.04 1.98 -0.09 2.79 0.04 -1.26 -4.93 135.00 136.57 2kfs s PRO 17 Ca 0.54 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2kfs s PRO 17 Cb -0.22 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2kfs s PRO 17 CO 0.16 -1.69 -0.08 0.00 0.04 0.00 0.00 177.00 175.44 2kfs s ALA 18 N -3.16 1.19 0.00 8.56 0.00 -1.26 -4.50 121.76 122.60 2kfs s ALA 18 Ca 0.61 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kfs s ALA 18 Cb -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2kfs s ALA 18 CO 0.54 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2kfs n GLY 19 N 4.54 1.12 3.60 0.00 0.00 -1.26 -4.56 105.19 108.62 2kfs n GLY 19 Ca -0.16 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 6.12 -0.31 1.61 2.15 -1.26 -2.83 116.67 123.15 2kfs s ASP 20 Ca 0.00 0.12 -0.28 0.00 0.43 0.00 0.00 52.55 52.81 2kfs s ASP 20 Cb 0.00 -2.16 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 2kfs s ASP 20 CO 0.00 -0.11 1.88 1.51 -0.17 0.00 0.00 175.17 178.28 2kfs s ASP 21 N 1.71 5.80 0.07 -0.34 -4.77 -1.26 -4.59 116.67 113.29 2kfs s ASP 21 Ca 0.11 1.41 -0.00 0.00 -3.30 0.00 0.00 52.55 50.76 2kfs s ASP 21 Cb -0.16 -2.52 -0.26 0.00 -1.09 0.00 0.00 42.92 38.89 2kfs s ASP 21 CO 0.11 -1.77 1.11 0.58 0.70 0.00 0.00 175.17 175.90 2kfs h VAL 22 N 6.88 1.48 -4.24 2.11 2.07 -1.92 -3.46 116.25 119.17 2kfs h VAL 22 Ca -0.35 -3.11 -0.45 0.00 0.82 0.00 0.00 66.70 63.61 2kfs h VAL 22 Cb 1.18 2.86 0.14 0.00 -1.52 0.00 0.00 31.29 33.95 2kfs h VAL 22 CO 1.02 0.89 0.38 -1.48 0.02 0.00 0.00 177.57 178.39 2kfs s LEU 23 N -6.94 2.38 -0.11 2.57 0.05 -1.26 -5.03 118.68 110.33 2kfs s LEU 23 Ca -0.03 0.59 -0.19 0.00 0.05 0.00 0.00 54.13 54.55 2kfs s LEU 23 Cb 0.08 -2.82 -0.04 0.00 -2.05 0.00 0.00 46.19 41.36 2kfs s LEU 23 CO 0.86 -2.51 0.52 -0.62 -0.55 0.00 0.00 176.35 174.05 2kfs s ASP 24 N -4.57 6.74 0.64 1.48 -1.08 -1.26 -4.95 116.67 113.67 2kfs s ASP 24 Ca 0.68 0.88 0.29 0.00 -0.52 0.00 0.00 52.55 53.87 2kfs s ASP 24 Cb -0.09 -2.31 1.53 0.00 -1.46 0.00 0.00 42.92 40.59 2kfs s ASP 24 CO 0.52 -0.02 1.88 -0.65 0.52 0.00 0.00 175.17 177.42 2kfs h PRO 25 N 6.73 0.00 0.00 4.34 0.11 -1.95 -0.21 132.00 141.02 2kfs h PRO 25 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 2kfs h PRO 25 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 25 CO 0.76 0.00 -0.34 0.22 -0.21 0.00 0.00 178.00 178.43 2kfs h ASP 26 N 0.00 0.00 -4.24 -2.05 1.82 -2.04 -3.46 116.42 106.44 2kfs h ASP 26 Ca 0.07 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.19 2kfs h ASP 26 Cb 0.87 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.01 2kfs h ASP 26 CO -0.00 0.34 0.34 -1.61 -1.61 0.00 0.00 179.24 176.70 2kfs s GLU 27 N -3.35 2.32 -0.57 0.28 0.41 -0.09 -4.83 118.70 112.88 2kfs s GLU 27 Ca 0.02 1.38 -0.39 0.00 -0.41 0.00 0.00 54.97 55.58 2kfs s GLU 27 Cb 0.09 -1.89 -0.17 0.00 -1.78 0.00 0.00 34.13 30.37 2kfs s GLU 27 CO 0.69 -1.63 2.27 -2.30 -0.49 0.00 0.00 175.26 173.81 2kfs n PRO 28 N -3.05 0.28 -4.23 0.39 -0.02 -1.26 -4.91 135.00 122.20 2kfs n PRO 28 Ca 0.10 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 2kfs n PRO 28 Cb 0.52 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 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 7.13 0.66 0.20 3.45 -4.23 -1.26 -1.16 115.64 120.44 2kfs s THR 29 Ca 1.20 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 2kfs s THR 29 Cb -1.26 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2kfs s THR 29 CO 0.57 -0.51 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.71 2kfs s TYR 30 N -3.66 1.66 0.28 3.99 2.02 0.13 -4.68 117.35 117.10 2kfs s TYR 30 Ca 0.23 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2kfs s TYR 30 Cb 0.06 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 2kfs s TYR 30 CO 0.03 0.30 0.12 0.16 -1.57 0.00 0.00 175.55 174.59 2kfs s ASP 31 N -3.31 1.41 0.07 2.29 1.47 -1.26 -0.14 116.67 117.21 2kfs s ASP 31 Ca 0.23 -1.47 -0.19 0.00 1.18 0.00 0.00 52.55 52.30 2kfs s ASP 31 Cb 0.00 0.27 -0.06 0.00 -0.34 0.00 0.00 42.92 42.79 2kfs s ASP 31 CO 0.06 -0.81 1.31 -0.07 0.68 0.00 0.00 175.17 176.35 2kfs h LEU 32 N 2.28 -1.06 -1.83 2.11 3.38 -1.99 0.23 115.31 118.44 2kfs h LEU 32 Ca -0.36 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2kfs h LEU 32 Cb 1.25 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2kfs h LEU 32 CO 0.57 -0.23 -0.14 1.55 0.09 0.00 0.00 178.44 180.28 2kfs h PRO 33 N -0.23 0.00 -0.09 1.13 0.13 -1.98 -1.13 132.00 129.83 2kfs h PRO 33 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2kfs h PRO 33 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 2kfs h PRO 33 CO -0.33 0.14 -0.03 -0.09 -0.23 0.00 0.00 178.00 177.45 2kfs h ARG 34 N 0.00 0.18 -0.46 0.86 9.65 -1.69 -1.51 114.38 121.41 2kfs h ARG 34 Ca -0.00 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.70 2kfs h ARG 34 Cb 0.29 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 2kfs h ARG 34 CO 0.02 0.52 -0.12 0.28 2.80 0.00 0.00 179.97 183.46 2kfs h VAL 35 N -0.18 1.26 -0.65 0.20 2.07 -0.23 -1.33 116.25 117.40 2kfs h VAL 35 Ca 0.02 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2kfs h VAL 35 Cb 0.46 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2kfs h VAL 35 CO 0.01 0.42 0.34 0.00 0.02 0.00 0.00 177.57 178.36 2kfs h ALA 36 N 1.10 1.38 -0.22 1.67 0.00 -1.20 -1.83 119.26 120.16 2kfs h ALA 36 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 36 Cb 0.63 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kfs h ALA 36 CO 0.04 0.50 -0.16 1.49 0.00 0.00 0.00 179.25 181.12 2kfs h GLU 37 N 0.90 0.49 -0.83 0.00 4.57 -0.73 0.15 114.58 119.14 2kfs h GLU 37 Ca 0.23 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2kfs h GLU 37 Cb 0.05 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 2kfs h GLU 37 CO -0.03 0.80 0.52 -0.07 -1.18 0.00 0.00 179.01 179.05 2kfs h LEU 38 N 0.18 0.82 0.00 1.64 3.38 -0.66 -2.61 115.31 118.06 2kfs h LEU 38 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kfs h LEU 38 Cb 0.69 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kfs h LEU 38 CO 0.04 0.54 -1.27 0.18 0.09 0.00 0.00 178.44 178.02 2kfs n LEU 39 N -4.62 0.54 -1.23 1.67 4.77 -0.74 -4.92 117.00 112.46 2kfs n LEU 39 Ca 0.11 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2kfs n LEU 39 Cb 0.15 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2kfs n LEU 39 CO 0.31 -0.04 -0.03 0.61 -1.33 0.00 0.00 177.39 176.91 2kfs n GLY 40 N 1.28 0.16 3.48 -0.72 0.00 0.39 -5.04 105.19 104.75 2kfs n GLY 40 Ca -0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.68 2.03 0.71 1.61 -7.23 -0.36 -5.03 120.40 109.45 2kfs s VAL 41 Ca 0.09 -2.20 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 2kfs s VAL 41 Cb -0.04 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2kfs s VAL 41 CO 0.11 -0.28 1.08 -2.16 -0.31 0.00 0.00 175.10 173.54 2kfs s PRO 42 N -3.64 2.67 0.40 4.82 0.04 -1.26 -4.48 135.00 133.55 2kfs s PRO 42 Ca 0.31 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2kfs s PRO 42 Cb 0.02 -1.95 0.84 0.00 0.04 0.00 0.00 34.50 33.45 2kfs s PRO 42 CO 0.14 -1.32 2.03 0.28 0.04 0.00 0.00 177.00 178.18 2kfs h VAL 43 N -0.64 1.08 -0.59 -0.36 2.07 -1.93 -0.68 116.25 115.20 2kfs h VAL 43 Ca -0.44 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2kfs h VAL 43 Cb 1.23 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2kfs h VAL 43 CO 0.54 0.11 0.26 -1.28 0.02 0.00 0.00 177.57 177.22 2kfs h SER 44 N 0.60 0.77 0.26 0.57 0.87 -1.98 -0.98 113.55 113.66 2kfs h SER 44 Ca 0.19 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 2kfs h SER 44 Cb 0.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2kfs h SER 44 CO -0.05 0.68 -0.46 0.50 -0.53 0.00 0.00 176.83 176.97 2kfs h LYS 45 N 0.84 0.25 -0.72 2.24 3.64 -1.50 -0.42 116.57 120.90 2kfs h LYS 45 Ca 0.20 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2kfs h LYS 45 Cb 0.13 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2kfs h LYS 45 CO -0.02 0.66 0.41 0.28 -2.27 0.00 0.00 179.45 178.51 2kfs h VAL 46 N 0.20 1.21 -0.49 2.00 2.07 -0.95 -0.12 116.25 120.18 2kfs h VAL 46 Ca 0.01 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2kfs h VAL 46 Cb 0.90 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2kfs h VAL 46 CO 0.07 0.23 0.12 0.00 0.02 0.00 0.00 177.57 178.02 2kfs h ALA 47 N 1.21 1.31 -0.48 1.67 0.00 -0.64 -1.77 119.26 120.56 2kfs h ALA 47 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 47 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2kfs h ALA 47 CO -0.04 0.49 -0.11 1.96 0.00 0.00 0.00 179.25 181.54 2kfs h GLN 48 N 0.71 0.88 -0.69 0.00 4.20 -0.09 0.22 115.11 120.34 2kfs h GLN 48 Ca 0.16 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2kfs h GLN 48 Cb 0.25 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2kfs h GLN 48 CO -0.00 0.95 0.26 1.96 -0.67 0.00 0.00 178.83 181.32 2kfs h GLN 49 N 0.79 1.04 -0.68 1.46 1.08 -0.56 -1.36 115.11 116.87 2kfs h GLN 49 Ca 0.13 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2kfs h GLN 49 Cb 0.63 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2kfs h GLN 49 CO 0.04 0.88 0.38 1.25 -0.95 0.00 0.00 178.83 180.43 2kfs h LEU 50 N 0.99 0.85 -1.71 1.46 5.85 -1.05 0.26 115.31 121.96 2kfs h LEU 50 Ca 0.23 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kfs h LEU 50 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2kfs h LEU 50 CO -0.01 0.70 0.16 -0.09 -0.34 0.00 0.00 178.44 178.85 2kfs h ARG 51 N 0.94 0.35 -0.00 1.25 2.43 -0.29 -1.46 114.38 117.60 2kfs h ARG 51 Ca 0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2kfs h ARG 51 Cb 0.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2kfs h ARG 51 CO -0.04 0.25 -0.27 0.39 -1.51 0.00 0.00 179.97 178.79 2kfs n GLU 52 N -4.48 0.01 -2.30 0.20 -0.58 -0.58 -4.77 120.64 108.14 2kfs n GLU 52 Ca 0.01 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 2kfs n GLU 52 Cb 0.08 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.50 0.30 0.03 0.62 0.00 -0.55 -4.92 105.19 102.16 2kfs n GLY 53 Ca 0.06 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.73 0.20 -3.72 1.61 -0.00 0.02 -4.48 115.22 105.12 2kfs n HIS 54 Ca -0.04 0.06 -0.11 0.00 -0.00 0.00 0.00 57.72 57.63 2kfs n HIS 54 Cb 0.54 -0.46 -0.06 0.00 -0.00 0.00 0.00 29.99 30.00 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 -4.22 0.73 0.03 0.27 2.96 -1.18 -4.32 118.68 112.96 2kfs s LEU 55 Ca -0.01 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2kfs s LEU 55 Cb 0.14 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.33 2kfs s LEU 55 CO 0.86 -0.71 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.40 2kfs s VAL 56 N -3.13 0.60 0.14 1.68 1.01 -1.26 -4.23 120.40 115.21 2kfs s VAL 56 Ca -0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2kfs s VAL 56 Cb 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2kfs s VAL 56 CO -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 175.10 174.75 2kfs s ALA 57 N -1.08 1.22 0.22 5.51 0.00 -1.26 -4.58 121.76 121.80 2kfs s ALA 57 Ca -0.06 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.45 2kfs s ALA 57 Cb -0.08 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2kfs s ALA 57 CO 0.00 -0.24 0.03 0.14 0.00 0.00 0.00 175.76 175.69 2kfs s VAL 58 N -3.58 0.78 -0.16 0.00 -7.23 0.33 -4.38 120.40 106.16 2kfs s VAL 58 Ca 0.18 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2kfs s VAL 58 Cb 0.05 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2kfs s VAL 58 CO -0.00 -0.27 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.30 2kfs s ARG 59 N -3.93 3.43 -0.10 4.82 0.52 -1.13 -0.61 118.95 121.96 2kfs s ARG 59 Ca 0.30 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2kfs s ARG 59 Cb 0.07 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.76 2kfs s ARG 59 CO 0.09 0.09 -0.08 -0.98 0.02 0.00 0.00 175.30 174.44 2kfs s ARG 60 N 0.70 1.50 -1.92 3.54 1.04 0.63 -3.99 118.95 120.44 2kfs s ARG 60 Ca -0.04 -0.27 0.00 0.00 -1.04 0.00 0.00 55.73 54.38 2kfs s ARG 60 Cb -0.15 -1.49 0.00 0.00 -2.04 0.00 0.00 34.95 31.27 2kfs s ARG 60 CO 0.02 -0.19 0.00 0.00 -0.04 0.00 0.00 175.30 175.09 2kfs n ALA 61 N 4.66 -0.51 -0.10 7.88 0.00 -1.26 -0.33 120.51 130.85 2kfs n ALA 61 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kfs n ALA 61 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 0.97 3.90 0.00 0.00 -1.26 -5.04 105.19 103.00 2kfs n GLY 62 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.83 2.23 -0.26 -0.02 0.00 0.55 -5.06 107.32 102.92 2kfs s GLY 63 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 2kfs s GLY 63 CO 0.00 -0.55 0.30 0.14 0.00 0.00 0.00 173.10 172.98 2kfs s VAL 64 N -1.58 5.24 0.07 1.40 1.01 -1.26 -0.27 120.40 125.01 2kfs s VAL 64 Ca 0.38 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2kfs s VAL 64 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 64 CO 0.25 0.21 -0.13 0.68 0.00 0.00 0.00 175.10 176.11 2kfs s VAL 65 N 1.81 1.06 -0.11 2.92 -7.23 0.22 -3.95 120.40 115.11 2kfs s VAL 65 Ca 0.12 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2kfs s VAL 65 Cb -0.16 -1.08 -0.00 0.00 0.56 0.00 0.00 36.38 35.70 2kfs s VAL 65 CO 0.10 -0.29 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.76 2kfs s ILE 66 N -1.45 2.26 0.17 -0.62 1.09 0.80 -0.51 121.20 122.94 2kfs s ILE 66 Ca -0.01 -0.94 -0.32 0.00 -1.10 0.00 0.00 60.65 58.28 2kfs s ILE 66 Cb -0.09 -1.89 -0.11 0.00 -1.06 0.00 0.00 42.46 39.31 2kfs s ILE 66 CO 0.02 0.55 1.73 -2.84 -0.10 0.00 0.00 174.94 174.30 2kfs s PRO 67 N 0.42 4.15 0.55 2.79 0.02 -1.26 0.18 135.00 141.85 2kfs s PRO 67 Ca -0.16 2.55 0.25 0.00 0.02 0.00 0.00 61.00 63.67 2kfs s PRO 67 Cb -0.17 -3.29 1.58 0.00 0.02 0.00 0.00 34.50 32.64 2kfs s PRO 67 CO 0.07 -0.76 2.19 0.37 -0.33 0.00 0.00 177.00 178.54 2kfs h GLN 68 N 7.48 0.00 0.00 5.54 4.15 -1.41 -1.05 115.11 129.83 2kfs h GLN 68 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kfs h GLN 68 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2kfs h GLN 68 CO 0.95 0.03 0.00 -0.39 -1.93 0.00 0.00 178.83 177.48 2kfs h VAL 69 N 0.00 0.00 0.00 2.39 -1.51 -1.90 -1.37 116.25 113.86 2kfs h VAL 69 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 2kfs h VAL 69 Cb 0.06 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2kfs h VAL 69 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 2kfs n PHE 70 N -2.90 0.00 -4.29 5.19 3.01 -0.40 -4.37 117.46 113.71 2kfs n PHE 70 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 2kfs n PHE 70 Cb 0.18 -0.49 -0.08 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.99 2.63 0.86 1.38 0.40 -0.52 -3.01 117.98 116.73 2kfs s PHE 71 Ca 0.10 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 2kfs s PHE 71 Cb 0.13 -1.32 0.15 0.00 0.51 0.00 0.00 43.02 42.50 2kfs s PHE 71 CO 0.36 0.55 1.19 0.95 0.70 0.00 0.00 175.22 178.97 2kfs s THR 72 N -2.40 2.07 0.56 0.64 -4.23 0.14 -4.83 115.64 107.58 2kfs s THR 72 Ca 0.33 -0.18 0.38 0.00 -1.18 0.00 0.00 61.69 61.05 2kfs s THR 72 Cb -0.04 -2.89 0.40 0.00 1.34 0.00 0.00 72.50 71.31 2kfs s THR 72 CO 0.20 0.00 2.27 0.78 -0.54 0.00 0.00 174.62 177.33 2kfs h ASN 73 N -1.18 0.00 1.01 3.99 4.21 -1.89 0.14 115.58 121.86 2kfs h ASN 73 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2kfs h ASN 73 Cb 1.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 2kfs h ASN 73 CO 0.44 0.02 -0.04 -0.24 -1.29 0.00 0.00 177.43 176.32 2kfs n SER 74 N -3.31 0.11 0.00 5.81 2.88 -1.26 -4.91 113.62 112.95 2kfs n SER 74 Ca -0.02 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2kfs n SER 74 Cb 0.12 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfs n GLY 75 N 1.48 0.50 3.59 0.46 0.00 0.50 -5.02 105.19 106.70 2kfs n GLY 75 Ca 0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.68 2.16 0.28 1.61 0.74 -1.26 -4.63 119.66 115.88 2kfs s GLN 76 Ca 0.00 -1.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.00 2kfs s GLN 76 Cb 0.00 -2.28 -0.11 0.00 1.10 0.00 0.00 33.01 31.73 2kfs s GLN 76 CO 0.00 0.48 1.51 0.08 -0.55 0.00 0.00 175.29 176.81 2kfs s VAL 77 N -1.46 2.35 0.18 1.34 1.01 -1.26 0.24 120.40 122.80 2kfs s VAL 77 Ca 0.24 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 2kfs s VAL 77 Cb -0.10 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 2kfs s VAL 77 CO 0.15 0.05 1.52 -0.69 0.00 0.00 0.00 175.10 176.13 2kfs s VAL 78 N -0.06 2.69 0.64 2.92 1.01 -1.16 -4.78 120.40 121.65 2kfs s VAL 78 Ca 0.61 0.51 0.34 0.00 0.00 0.00 0.00 61.98 63.44 2kfs s VAL 78 Cb -0.45 -3.33 0.37 0.00 0.00 0.00 0.00 36.38 32.97 2kfs s VAL 78 CO 0.46 0.05 2.11 0.07 0.00 0.00 0.00 175.10 177.79 2kfs h LYS 79 N 6.33 0.00 0.00 2.72 -0.00 -1.94 0.76 116.57 124.44 2kfs h LYS 79 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 2kfs h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2kfs h LYS 79 CO 0.87 0.00 -0.77 0.45 -0.00 0.00 0.00 179.45 180.00 2kfs n SER 80 N -3.26 0.71 0.29 7.07 2.88 -1.26 -4.43 113.62 115.63 2kfs n SER 80 Ca -0.01 -0.55 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 2kfs n SER 80 Cb 0.28 0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.00 -0.59 -2.11 2.46 5.85 -1.20 -2.04 115.31 117.67 2kfs h LEU 81 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2kfs h LEU 81 Cb 0.53 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2kfs h LEU 81 CO 0.00 -0.42 0.18 1.55 -0.34 0.00 0.00 178.44 179.41 2kfs h PRO 82 N -0.71 0.00 -0.18 5.25 0.13 -1.75 -1.47 132.00 133.26 2kfs h PRO 82 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2kfs h PRO 82 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 2kfs h PRO 82 CO 0.12 0.00 -0.14 0.78 -0.23 0.00 0.00 178.00 178.52 2kfs h GLY 83 N 0.00 0.46 1.10 1.56 0.00 -1.65 -0.70 103.07 103.84 2kfs h GLY 83 Ca 0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 2kfs h GLY 83 CO -0.00 0.40 -0.24 0.17 0.00 0.00 0.00 176.54 176.88 2kfs h LEU 84 N 0.09 1.00 -0.49 3.11 8.10 -0.69 -2.37 115.31 124.05 2kfs h LEU 84 Ca 0.03 -0.41 -0.02 0.00 0.11 0.00 0.00 57.88 57.60 2kfs h LEU 84 Cb 0.66 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2kfs h LEU 84 CO 0.04 1.19 0.24 -0.07 -4.11 0.00 0.00 178.44 175.73 2kfs h LEU 85 N 0.81 0.63 -0.68 0.17 3.38 -1.25 -2.36 115.31 116.02 2kfs h LEU 85 Ca 0.10 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2kfs h LEU 85 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kfs h LEU 85 CO 0.07 0.57 -0.49 0.74 0.09 0.00 0.00 178.44 179.42 2kfs h THR 86 N 0.64 1.33 -0.22 0.22 2.02 -1.03 0.12 112.91 116.00 2kfs h THR 86 Ca 0.17 -1.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 2kfs h THR 86 Cb 0.10 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2kfs h THR 86 CO -0.02 0.52 -0.10 -0.29 0.37 0.00 0.00 175.52 176.00 2kfs h ILE 87 N 0.34 1.30 -0.32 3.11 -0.00 -1.25 -2.38 117.51 118.32 2kfs h ILE 87 Ca 0.02 -1.16 -0.10 0.00 -0.00 0.00 0.00 64.86 63.62 2kfs h ILE 87 Cb 0.98 1.60 -0.01 0.00 -0.00 0.00 0.00 36.82 39.39 2kfs h ILE 87 CO 0.09 0.35 -0.21 -0.07 -0.00 0.00 0.00 178.15 178.31 2kfs h LEU 88 N 0.16 0.61 -1.27 2.19 -0.00 -1.36 -2.78 115.31 112.86 2kfs h LEU 88 Ca 0.05 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 57.73 2kfs h LEU 88 Cb 0.59 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.04 2kfs h LEU 88 CO 0.03 0.82 0.49 -0.74 -0.00 0.00 0.00 178.44 179.04 2kfs h HIS 89 N 0.54 0.93 -0.01 1.13 2.76 -0.87 -0.32 115.15 119.32 2kfs h HIS 89 Ca 0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 2kfs h HIS 89 Cb 0.66 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2kfs h HIS 89 CO 0.03 0.59 -0.16 0.22 -1.30 0.00 0.00 177.93 177.31 2kfs h ASP 90 N 1.01 0.02 0.15 3.26 1.82 -1.14 -1.02 116.42 120.51 2kfs h ASP 90 Ca 0.27 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2kfs h ASP 90 Cb -0.11 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.89 2kfs h ASP 90 CO -0.06 0.18 -0.08 0.61 -1.61 0.00 0.00 179.24 178.29 2kfs n GLY 91 N -1.05 -0.56 1.36 -0.78 0.00 -0.19 -4.92 105.19 99.05 2kfs n GLY 91 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.21 0.94 3.59 -0.02 0.00 -0.38 -5.04 105.19 105.48 2kfs n GLY 92 Ca 0.17 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.84 3.22 1.03 1.61 1.51 -0.81 -5.02 117.35 116.05 2kfs s TYR 93 Ca 0.00 0.08 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 2kfs s TYR 93 Cb 0.00 -2.34 0.20 0.00 -0.11 0.00 0.00 41.96 39.71 2kfs s TYR 93 CO 0.00 -0.14 1.11 -0.98 -1.11 0.00 0.00 175.55 174.43 2kfs s ARG 94 N 1.60 0.19 0.22 -0.62 1.70 -1.26 -4.44 118.95 116.34 2kfs s ARG 94 Ca 0.07 0.32 -0.08 0.00 -0.47 0.00 0.00 55.73 55.57 2kfs s ARG 94 Cb -0.15 -1.73 0.30 0.00 -0.57 0.00 0.00 34.95 32.80 2kfs s ARG 94 CO 0.09 -2.85 1.76 0.38 -1.08 0.00 0.00 175.30 173.60 2kfs h ASP 95 N -1.97 0.33 -0.78 -2.89 2.03 -1.92 -1.00 116.42 110.21 2kfs h ASP 95 Ca -0.52 0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2kfs h ASP 95 Cb 1.32 0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.81 2kfs h ASP 95 CO 0.54 0.19 0.42 0.74 -1.03 0.00 0.00 179.24 180.10 2kfs h THR 96 N 0.49 1.23 -0.22 1.15 2.02 -1.91 -2.27 112.91 113.40 2kfs h THR 96 Ca 0.33 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2kfs h THR 96 Cb 0.38 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2kfs h THR 96 CO -0.29 0.26 -0.27 -0.33 0.37 0.00 0.00 175.52 175.26 2kfs h GLU 97 N 1.08 0.41 -0.22 6.66 4.39 -1.55 -0.62 114.58 124.73 2kfs h GLU 97 Ca 0.27 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kfs h GLU 97 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kfs h GLU 97 CO -0.04 0.65 0.13 0.82 -1.16 0.00 0.00 179.01 179.41 2kfs h ILE 98 N 0.36 1.10 0.00 3.13 1.08 -0.83 -2.01 117.51 120.35 2kfs h ILE 98 Ca 0.05 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2kfs h ILE 98 Cb 0.67 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kfs h ILE 98 CO 0.05 0.09 0.00 0.24 -0.69 0.00 0.00 178.15 177.84 2kfs h MET 99 N 0.27 0.00 0.27 2.37 2.86 -1.28 -3.06 114.93 116.36 2kfs h MET 99 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2kfs h MET 99 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kfs h MET 99 CO -0.01 0.00 -0.23 -0.09 1.06 0.00 0.00 176.91 177.64 2kfs h ARG 100 N 0.00 -0.47 -0.09 1.72 2.43 -0.32 -0.83 114.38 116.82 2kfs h ARG 100 Ca 0.00 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2kfs h ARG 100 Cb 0.69 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2kfs h ARG 100 CO 0.00 -0.31 -0.43 0.11 -1.51 0.00 0.00 179.97 177.83 2kfs h TRP 101 N -0.49 0.24 -0.56 2.20 5.08 -1.65 -3.20 115.95 117.57 2kfs h TRP 101 Ca -0.04 -0.07 -0.06 0.00 1.08 0.00 0.00 58.89 59.81 2kfs h TRP 101 Cb 0.41 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.50 2kfs h TRP 101 CO -0.10 0.60 0.11 -0.07 -1.28 0.00 0.00 178.44 177.70 2kfs h LEU 102 N 0.17 0.88 0.00 0.11 3.38 -1.42 -3.22 115.31 115.21 2kfs h LEU 102 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kfs h LEU 102 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kfs h LEU 102 CO 0.06 0.91 -0.56 0.49 0.09 0.00 0.00 178.44 179.43 2kfs n PHE 103 N -4.36 0.18 -2.72 1.13 3.01 -0.33 -2.19 117.46 112.18 2kfs n PHE 103 Ca 0.02 0.05 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 2kfs n PHE 103 Cb 0.26 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.31 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -3.06 4.69 0.17 4.37 2.01 -1.21 -4.89 115.64 117.72 2kfs s THR 104 Ca 0.09 1.83 -0.31 0.00 0.31 0.00 0.00 61.69 63.61 2kfs s THR 104 Cb 0.16 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 2kfs s THR 104 CO 0.71 -0.21 1.57 -2.16 -0.69 0.00 0.00 174.62 173.84 2kfs s PRO 105 N 3.19 4.21 -0.24 4.92 0.04 -1.26 -4.42 135.00 141.44 2kfs s PRO 105 Ca 0.42 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 2kfs s PRO 105 Cb -0.14 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2kfs s PRO 105 CO 0.08 -0.61 0.16 0.34 0.04 0.00 0.00 177.00 177.02 2kfs s ASP 106 N 1.10 6.13 0.60 6.66 -1.08 -0.24 -4.88 116.67 124.95 2kfs s ASP 106 Ca 0.70 0.13 0.34 0.00 -0.52 0.00 0.00 52.55 53.19 2kfs s ASP 106 Cb -0.44 -2.11 1.95 0.00 -1.46 0.00 0.00 42.92 40.86 2kfs s ASP 106 CO 0.32 0.07 2.26 1.55 0.52 0.00 0.00 175.17 179.89 2kfs h PRO 107 N 7.48 0.00 -0.43 4.34 0.13 -1.86 -1.85 132.00 139.80 2kfs h PRO 107 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kfs h PRO 107 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kfs h PRO 107 CO 0.66 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 178.88 2kfs n SER 108 N -3.58 3.48 -4.45 1.44 7.64 -1.26 -4.26 113.62 112.63 2kfs n SER 108 Ca -0.03 -2.22 -0.35 0.00 1.01 0.00 0.00 58.87 57.29 2kfs n SER 108 Cb 0.10 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.40 3.28 -0.28 -3.43 2.96 -0.70 -4.96 118.68 114.15 2kfs s LEU 109 Ca 0.34 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2kfs s LEU 109 Cb 0.20 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 45.11 2kfs s LEU 109 CO 0.19 0.07 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.35 2kfs s THR 110 N 0.97 2.71 0.18 3.68 2.01 -1.26 -0.64 115.64 123.29 2kfs s THR 110 Ca 0.02 -1.42 0.10 0.00 0.31 0.00 0.00 61.69 60.69 2kfs s THR 110 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2kfs s THR 110 CO 0.02 -0.04 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.08 2kfs s ILE 111 N 1.21 2.01 0.14 1.82 -1.09 -0.09 -4.88 121.20 120.33 2kfs s ILE 111 Ca -0.06 -2.00 0.04 0.00 -2.23 0.00 0.00 60.65 56.41 2kfs s ILE 111 Cb -0.19 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 2kfs s ILE 111 CO -0.03 -0.28 -0.10 0.28 -1.23 0.00 0.00 174.94 173.58 2kfs s THR 112 N -2.02 1.16 0.40 2.92 -1.32 -1.26 0.71 115.64 116.23 2kfs s THR 112 Ca 0.18 -2.01 0.05 0.00 -1.21 0.00 0.00 61.69 58.70 2kfs s THR 112 Cb -0.06 -1.80 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 2kfs s THR 112 CO 0.08 -0.72 0.03 0.00 -2.21 0.00 0.00 174.62 171.81 2kfs s ARG 113 N -3.62 1.90 0.10 7.08 1.70 -1.26 -4.86 118.95 119.99 2kfs s ARG 113 Ca 0.15 -2.10 -0.31 0.00 -0.47 0.00 0.00 55.73 53.01 2kfs s ARG 113 Cb 0.02 -1.32 -0.09 0.00 -0.57 0.00 0.00 34.95 32.99 2kfs s ARG 113 CO 0.01 -0.17 1.61 0.34 -1.08 0.00 0.00 175.30 176.01 2kfs s ASP 114 N -3.66 6.61 0.00 -2.89 -1.08 -1.26 -2.64 116.67 111.75 2kfs s ASP 114 Ca 0.30 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 54.84 2kfs s ASP 114 Cb 0.08 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2kfs s ASP 114 CO 0.15 -0.85 0.00 0.61 0.52 0.00 0.00 175.17 175.60 2kfs n GLY 115 N 3.89 1.16 3.16 2.66 0.00 -1.26 -5.08 105.19 109.71 2kfs n GLY 115 Ca 0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 116 N -2.41 -0.30 0.03 1.61 0.01 -1.08 -5.03 113.70 106.53 2kfs s SER 116 Ca 0.00 0.57 0.22 0.00 1.31 0.00 0.00 55.95 58.05 2kfs s SER 116 Cb 0.00 0.56 -0.23 0.00 0.21 0.00 0.00 66.02 66.56 2kfs s SER 116 CO 0.00 -0.11 0.67 -2.11 0.41 0.00 0.00 173.24 172.10 2kfs n ARG 117 N 3.12 0.59 -4.49 12.44 1.85 -1.26 -4.81 116.66 124.10 2kfs n ARG 117 Ca -0.15 -0.10 -0.29 0.00 -1.00 0.00 0.00 57.85 56.31 2kfs n ARG 117 Cb 0.57 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.31 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 -4.61 4.14 0.21 2.89 1.01 -1.26 -5.15 116.67 113.91 2kfs s ASP 118 Ca -0.05 -1.39 0.07 0.00 0.71 0.00 0.00 52.55 51.89 2kfs s ASP 118 Cb 0.13 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 2kfs s ASP 118 CO 0.87 -0.66 0.11 0.00 0.21 0.00 0.00 175.17 175.71 2kfs s ALA 119 N -2.74 3.45 -0.24 5.23 0.00 -1.26 -4.65 121.76 121.54 2kfs s ALA 119 Ca 0.27 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 2kfs s ALA 119 Cb 0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2kfs s ALA 119 CO 0.14 0.37 0.06 0.08 0.00 0.00 0.00 175.76 176.42 2kfs s VAL 120 N -1.97 4.27 0.53 0.00 1.01 0.22 -4.92 120.40 119.54 2kfs s VAL 120 Ca 0.31 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 2kfs s VAL 120 Cb -0.09 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 2kfs s VAL 120 CO 0.23 0.35 0.99 -0.44 0.00 0.00 0.00 175.10 176.23 2kfs s SER 121 N 1.52 6.55 -0.91 3.32 0.01 -1.26 -0.92 113.70 122.00 2kfs s SER 121 Ca 0.06 1.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.81 2kfs s SER 121 Cb -0.15 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2kfs s SER 121 CO 0.03 -0.63 0.52 0.59 0.41 0.00 0.00 173.24 174.16 2kfs n ASN 122 N -1.79 -4.53 -4.95 2.44 4.13 0.18 -4.93 115.26 105.82 2kfs n ASN 122 Ca 0.06 -0.24 -0.23 0.00 1.68 0.00 0.00 54.58 55.85 2kfs n ASN 122 Cb 0.54 -3.28 0.01 0.00 -1.54 0.00 0.00 39.78 35.51 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kfs s ALA 123 N -3.04 3.72 0.16 5.41 0.00 -0.79 -4.25 121.76 122.97 2kfs s ALA 123 Ca 0.26 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 2kfs s ALA 123 Cb -0.11 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.78 2kfs s ALA 123 CO 0.32 -0.33 0.39 -0.98 0.00 0.00 0.00 175.76 175.16 2kfs s ARG 124 N -4.54 3.63 0.59 0.00 1.70 -1.26 -1.08 118.95 117.99 2kfs s ARG 124 Ca 0.47 -0.07 0.29 0.00 -0.47 0.00 0.00 55.73 55.95 2kfs s ARG 124 Cb -0.10 -2.83 1.59 0.00 -0.57 0.00 0.00 34.95 33.04 2kfs s ARG 124 CO 0.38 0.45 2.01 -1.35 -1.08 0.00 0.00 175.30 175.71 2kfs h PRO 125 N 2.74 0.00 -0.65 3.89 0.11 -1.74 -2.22 132.00 134.12 2kfs h PRO 125 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kfs h PRO 125 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2kfs h PRO 125 CO 0.72 0.00 0.42 0.28 -0.21 0.00 0.00 178.00 179.21 2kfs h VAL 126 N 0.00 1.18 -0.19 3.15 2.07 -1.79 -1.70 116.25 118.96 2kfs h VAL 126 Ca 0.13 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2kfs h VAL 126 Cb 0.76 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2kfs h VAL 126 CO -0.00 0.18 -0.14 0.44 0.02 0.00 0.00 177.57 178.07 2kfs h ASP 127 N 0.88 0.30 -0.24 0.57 3.32 -1.71 -2.47 116.42 117.08 2kfs h ASP 127 Ca 0.24 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2kfs h ASP 127 Cb -0.07 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2kfs h ASP 127 CO -0.05 0.47 -0.06 0.00 -1.72 0.00 0.00 179.24 177.88 2kfs h ALA 128 N 1.56 0.33 -0.35 3.45 0.00 -1.38 -1.78 119.26 121.09 2kfs h ALA 128 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2kfs h ALA 128 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kfs h ALA 128 CO 0.03 0.13 -0.29 1.37 0.00 0.00 0.00 179.25 180.48 2kfs h LEU 129 N 0.20 0.76 -0.84 0.00 8.10 -1.03 0.32 115.31 122.82 2kfs h LEU 129 Ca 0.06 -0.30 0.00 0.00 0.11 0.00 0.00 57.88 57.75 2kfs h LEU 129 Cb 0.53 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kfs h LEU 129 CO 0.02 1.01 0.00 -0.74 -4.11 0.00 0.00 178.44 174.62 2kfs h HIS 130 N 0.63 0.00 -0.45 0.17 2.76 -1.44 -1.54 115.15 115.28 2kfs h HIS 130 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2kfs h HIS 130 Cb 0.81 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2kfs h HIS 130 CO 0.04 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.67 2kfs n ALA 131 N -2.04 2.43 -2.14 5.26 0.00 -0.67 -4.87 120.51 118.49 2kfs n ALA 131 Ca 0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.40 2kfs n ALA 131 Cb 0.37 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 1.07 -0.62 -1.21 0.00 -0.00 -0.58 -4.85 115.22 109.03 2kfs n HIS 132 Ca 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2kfs n HIS 132 Cb 0.48 -3.25 0.23 0.00 -0.00 0.00 0.00 29.99 27.45 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 -2.57 2.45 0.09 -0.41 6.02 0.11 -4.72 117.38 118.34 2kfs n GLN 133 Ca -0.19 -3.02 0.20 0.00 -0.01 0.00 0.00 57.00 53.98 2kfs n GLN 133 Cb 0.63 -1.88 0.70 0.00 1.02 0.00 0.00 30.24 30.70 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 1.45 2.13 -0.96 -1.58 0.00 -1.78 -2.01 119.26 116.52 2kfs h ALA 134 Ca 0.16 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.19 2kfs h ALA 134 Cb 1.69 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 2kfs h ALA 134 CO 0.39 -0.78 0.61 -0.09 0.00 0.00 0.00 179.25 179.38 2kfs h ARG 135 N 0.00 0.81 0.00 0.00 1.12 -1.91 0.20 114.38 114.60 2kfs h ARG 135 Ca 0.21 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.96 2kfs h ARG 135 Cb 1.31 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.07 2kfs h ARG 135 CO -0.00 0.54 -0.34 0.93 -3.11 0.00 0.00 179.97 177.99 2kfs h GLU 136 N 0.84 0.00 -0.04 0.20 4.39 -1.76 0.12 114.58 118.32 2kfs h GLU 136 Ca 0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.13 2kfs h GLU 136 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kfs h GLU 136 CO -0.25 0.34 -0.20 0.28 -1.16 0.00 0.00 179.01 178.02 2kfs h VAL 137 N 0.00 1.47 -0.75 3.13 2.07 -0.91 -0.85 116.25 120.42 2kfs h VAL 137 Ca -0.00 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2kfs h VAL 137 Cb 0.71 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 2kfs h VAL 137 CO 0.04 0.47 0.42 0.58 0.02 0.00 0.00 177.57 179.10 2kfs h VAL 138 N -0.36 1.23 -0.47 2.57 2.07 -0.62 0.30 116.25 120.97 2kfs h VAL 138 Ca -0.01 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2kfs h VAL 138 Cb 0.86 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2kfs h VAL 138 CO 0.04 0.25 0.22 -0.09 0.02 0.00 0.00 177.57 178.00 2kfs h ARG 139 N 1.04 0.42 -0.28 1.57 2.43 -0.74 -0.25 114.38 118.56 2kfs h ARG 139 Ca 0.26 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 2kfs h ARG 139 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2kfs h ARG 139 CO -0.04 0.27 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.25 2kfs h ARG 140 N 0.43 0.63 -0.48 0.20 2.43 -0.43 -2.35 114.38 114.81 2kfs h ARG 140 Ca 0.21 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2kfs h ARG 140 Cb 0.15 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2kfs h ARG 140 CO -0.17 0.89 0.28 0.00 -1.51 0.00 0.00 179.97 179.46 2kfs h ALA 141 N 1.08 0.61 -0.54 2.80 0.00 0.32 0.14 119.26 123.67 2kfs h ALA 141 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2kfs h ALA 141 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kfs h ALA 141 CO 0.07 -0.03 -0.02 1.96 0.00 0.00 0.00 179.25 181.24 2kfs h GLN 142 N 0.56 0.93 -0.14 0.00 4.20 -0.97 -0.51 115.11 119.18 2kfs h GLN 142 Ca 0.19 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2kfs h GLN 142 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2kfs h GLN 142 CO -0.09 0.93 -0.34 0.00 -0.67 0.00 0.00 178.83 178.65 2kfs h ALA 143 N 1.12 1.15 -0.02 3.87 0.00 -0.83 0.66 119.26 125.21 2kfs h ALA 143 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kfs h ALA 143 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kfs h ALA 143 CO 0.03 0.55 -0.27 1.98 0.00 0.00 0.00 179.25 181.54 2kfs h MET 144 N 0.25 0.22 0.05 0.00 1.85 -0.40 -3.34 114.93 113.57 2kfs h MET 144 Ca 0.03 -0.21 -0.23 0.00 -0.61 0.00 0.00 59.70 58.68 2kfs h MET 144 Cb 0.73 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 2kfs h MET 144 CO 0.06 0.90 -1.06 0.00 -0.40 0.00 0.00 176.91 176.40 2kfs h ALA 145 N 0.33 0.30 -0.01 0.39 0.00 -1.05 -3.51 119.26 115.70 2kfs h ALA 145 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2kfs h ALA 145 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kfs h ALA 145 CO 0.05 1.03 0.00 0.66 0.00 0.00 0.00 179.25 181.00