#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.16 -0.62 3.17 0.05 -1.26 -4.92 135.00 134.58 2kfs s PRO 2 Ca 0.00 -0.62 -0.02 0.00 0.05 0.00 0.00 61.00 60.40 2kfs s PRO 2 Cb 0.00 -4.19 0.29 0.00 0.05 0.00 0.00 34.50 30.65 2kfs s PRO 2 CO 0.00 -1.83 2.20 0.41 0.05 0.00 0.00 177.00 177.83 2kfs n GLY 3 N 5.31 5.12 3.73 0.56 0.00 -1.26 -4.96 105.19 113.69 2kfs n GLY 3 Ca -0.02 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2kfs n GLY 3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfs s ARG 4 N -3.10 4.49 -0.39 1.61 1.70 -1.26 -4.99 118.95 117.01 2kfs s ARG 4 Ca 0.54 1.79 0.01 0.00 -0.47 0.00 0.00 55.73 57.60 2kfs s ARG 4 Cb 0.41 -3.30 0.14 0.00 -0.57 0.00 0.00 34.95 31.64 2kfs s ARG 4 CO -0.19 -0.12 0.23 0.00 -1.08 0.00 0.00 175.30 174.14 2kfs s ALA 5 N 0.39 1.41 0.57 7.88 0.00 -1.26 -5.13 121.76 125.63 2kfs s ALA 5 Ca 0.55 -2.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.33 2kfs s ALA 5 Cb -0.30 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.19 2kfs s ALA 5 CO 0.33 -2.08 0.51 -0.35 0.00 0.00 0.00 175.76 174.17 2kfs n PRO 6 N 3.75 0.23 -1.89 0.00 -0.04 -1.26 -4.66 135.00 131.13 2kfs n PRO 6 Ca 0.13 -1.38 -0.03 0.00 -0.04 0.00 0.00 63.50 62.17 2kfs n PRO 6 Cb 0.37 -0.35 -0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 1.07 0.31 3.61 0.55 0.00 -1.26 -4.97 105.19 104.50 2kfs n GLY 7 Ca 0.08 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.88 6.36 -0.06 1.61 1.04 -1.26 -4.97 113.70 113.54 2kfs s SER 8 Ca 0.00 1.17 -0.25 0.00 0.48 0.00 0.00 55.95 57.35 2kfs s SER 8 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kfs s SER 8 CO 0.00 -1.35 0.76 -0.89 0.98 0.00 0.00 173.24 172.74 2kfs s THR 9 N 5.34 5.00 0.74 2.02 2.01 -1.26 -5.04 115.64 124.45 2kfs s THR 9 Ca 0.65 1.57 -0.13 0.00 0.31 0.00 0.00 61.69 64.10 2kfs s THR 9 Cb -0.18 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.27 2kfs s THR 9 CO 0.30 0.22 1.12 -0.76 -0.69 0.00 0.00 174.62 174.81 2kfs s LEU 10 N 0.91 3.17 -0.37 4.42 1.43 -1.26 -5.03 118.68 121.96 2kfs s LEU 10 Ca 0.40 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 2kfs s LEU 10 Cb -0.18 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.62 2kfs s LEU 10 CO 0.20 -2.03 0.19 0.00 0.23 0.00 0.00 176.35 174.93 2kfs s ALA 11 N -2.57 1.54 -0.51 4.21 0.00 -1.26 -4.90 121.76 118.27 2kfs s ALA 11 Ca 0.65 -2.05 0.05 0.00 0.00 0.00 0.00 51.96 50.62 2kfs s ALA 11 Cb -0.20 -1.71 0.12 0.00 0.00 0.00 0.00 23.12 21.33 2kfs s ALA 11 CO 0.50 -1.95 0.99 2.89 0.00 0.00 0.00 175.76 178.19 2kfs n ARG 12 N 4.14 2.00 -2.94 0.00 1.85 -1.26 -4.89 116.66 115.56 2kfs n ARG 12 Ca 0.06 -1.49 -0.43 0.00 -1.00 0.00 0.00 57.85 54.99 2kfs n ARG 12 Cb 0.38 -1.12 -0.04 0.00 -1.05 0.00 0.00 32.46 30.62 2kfs n ARG 12 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2kfs s VAL 13 N -0.84 4.50 -0.97 8.89 1.01 -1.26 -4.83 120.40 126.89 2kfs s VAL 13 Ca 0.10 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2kfs s VAL 13 Cb 0.05 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2kfs s VAL 13 CO 0.07 -1.26 1.69 -0.83 0.00 0.00 0.00 175.10 174.78 2kfs s GLY 14 N 3.41 0.74 -1.22 4.51 0.00 0.99 -4.86 107.32 110.88 2kfs s GLY 14 Ca 0.21 -1.91 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 2kfs s GLY 14 CO 0.11 3.08 1.49 -1.26 0.00 0.00 0.00 173.10 176.52 2kfs n SER 15 N 11.35 5.19 -4.66 1.64 2.88 -1.26 -3.54 113.62 125.22 2kfs n SER 15 Ca 0.37 -2.98 -0.43 0.00 -1.33 0.00 0.00 58.87 54.50 2kfs n SER 15 Cb 0.49 -1.58 -0.02 0.00 -0.75 0.00 0.00 64.21 62.34 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kfs s ILE 16 N 1.75 4.27 0.21 2.46 1.09 -1.26 -5.01 121.20 124.70 2kfs s ILE 16 Ca 0.44 1.53 -0.30 0.00 -1.10 0.00 0.00 60.65 61.22 2kfs s ILE 16 Cb -0.02 -3.99 -0.08 0.00 -1.06 0.00 0.00 42.46 37.31 2kfs s ILE 16 CO 0.01 -0.15 1.07 -2.84 -0.10 0.00 0.00 174.94 172.94 2kfs s PRO 17 N 3.53 4.65 -0.15 2.79 0.02 -1.26 -4.95 135.00 139.63 2kfs s PRO 17 Ca 0.55 1.70 -0.26 0.00 0.02 0.00 0.00 61.00 63.01 2kfs s PRO 17 Cb -0.22 -3.26 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2kfs s PRO 17 CO 0.15 0.18 0.87 0.00 -0.33 0.00 0.00 177.00 177.87 2kfs s ALA 18 N -0.62 3.49 0.00 -1.55 0.00 -1.26 -4.73 121.76 117.08 2kfs s ALA 18 Ca 0.47 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kfs s ALA 18 Cb -0.29 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2kfs s ALA 18 CO 0.36 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2kfs n GLY 19 N 3.37 0.11 3.37 0.00 0.00 -1.26 -4.38 105.19 106.39 2kfs n GLY 19 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -0.87 3.54 0.30 1.61 2.15 -1.26 -3.20 116.67 118.95 2kfs s ASP 20 Ca 0.00 -0.36 -0.27 0.00 0.43 0.00 0.00 52.55 52.35 2kfs s ASP 20 Cb 0.00 -0.84 -0.10 0.00 -0.30 0.00 0.00 42.92 41.68 2kfs s ASP 20 CO 0.00 0.29 0.95 -0.62 -0.17 0.00 0.00 175.17 175.62 2kfs s ASP 21 N -0.40 7.39 -0.00 -0.34 2.15 -1.13 -4.36 116.67 119.99 2kfs s ASP 21 Ca 0.04 1.89 0.07 0.00 0.43 0.00 0.00 52.55 54.98 2kfs s ASP 21 Cb -0.12 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.82 2kfs s ASP 21 CO 0.02 -0.03 0.22 0.52 -0.17 0.00 0.00 175.17 175.73 2kfs n VAL 22 N 0.81 0.00 -2.26 1.11 0.31 -1.26 -5.02 118.33 112.02 2kfs n VAL 22 Ca 0.01 -0.25 -0.26 0.00 -0.01 0.00 0.00 64.34 63.83 2kfs n VAL 22 Cb 0.49 0.67 0.12 0.00 -0.91 0.00 0.00 33.84 34.21 2kfs n VAL 22 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kfs s LEU 23 N -2.90 2.85 0.22 7.52 0.05 -1.26 -4.99 118.68 120.17 2kfs s LEU 23 Ca -0.00 0.08 -0.26 0.00 0.05 0.00 0.00 54.13 54.00 2kfs s LEU 23 Cb 0.05 -2.42 -0.09 0.00 -2.05 0.00 0.00 46.19 41.68 2kfs s LEU 23 CO 0.28 -2.07 0.85 -0.62 -0.55 0.00 0.00 176.35 174.25 2kfs s ASP 24 N -4.72 7.44 0.49 1.48 2.15 -1.26 -4.95 116.67 117.30 2kfs s ASP 24 Ca 0.67 1.76 0.27 0.00 0.43 0.00 0.00 52.55 55.68 2kfs s ASP 24 Cb -0.06 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.37 2kfs s ASP 24 CO 0.47 0.13 1.85 -0.65 -0.17 0.00 0.00 175.17 176.80 2kfs h PRO 25 N 4.00 0.14 0.00 4.34 0.11 -2.00 -0.64 132.00 137.95 2kfs h PRO 25 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kfs h PRO 25 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 25 CO 0.66 0.09 -0.08 -0.25 -0.21 0.00 0.00 178.00 178.22 2kfs n ASP 26 N -4.36 0.08 -4.75 -2.05 8.00 -1.26 -4.79 116.55 107.42 2kfs n ASP 26 Ca 0.21 0.38 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 2kfs n ASP 26 Cb 0.94 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfs s GLU 27 N -3.00 4.31 0.20 -1.24 0.41 -0.25 -4.92 118.70 114.21 2kfs s GLU 27 Ca 0.14 2.25 -0.32 0.00 -0.41 0.00 0.00 54.97 56.62 2kfs s GLU 27 Cb 0.19 -3.11 -0.14 0.00 -1.78 0.00 0.00 34.13 29.29 2kfs s GLU 27 CO 0.56 -0.34 1.36 -2.30 -0.49 0.00 0.00 175.26 174.05 2kfs n PRO 28 N 1.94 1.77 -4.33 0.39 -0.02 -1.26 -4.96 135.00 128.53 2kfs n PRO 28 Ca 0.05 0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 61.99 2kfs n PRO 28 Cb 0.41 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.07 0.76 0.18 3.45 -4.23 -1.26 -2.30 115.64 112.31 2kfs s THR 29 Ca 0.72 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 2kfs s THR 29 Cb -0.72 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 2kfs s THR 29 CO 0.48 -0.11 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.06 2kfs s TYR 30 N -3.61 1.40 0.21 3.99 2.02 0.65 -4.73 117.35 117.28 2kfs s TYR 30 Ca 0.34 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2kfs s TYR 30 Cb 0.07 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.85 2kfs s TYR 30 CO 0.12 0.08 0.04 0.16 -1.57 0.00 0.00 175.55 174.38 2kfs s ASP 31 N -3.22 1.20 0.12 2.29 1.47 -1.26 0.08 116.67 117.35 2kfs s ASP 31 Ca 0.20 -1.26 -0.27 0.00 1.18 0.00 0.00 52.55 52.41 2kfs s ASP 31 Cb 0.03 0.14 -0.08 0.00 -0.34 0.00 0.00 42.92 42.67 2kfs s ASP 31 CO 0.03 -0.63 1.46 -0.07 0.68 0.00 0.00 175.17 176.64 2kfs h LEU 32 N 2.57 -1.69 -1.75 2.11 -0.00 -1.99 0.19 115.31 114.76 2kfs h LEU 32 Ca -0.37 0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 2kfs h LEU 32 Cb 1.22 0.72 -0.00 0.00 -0.00 0.00 0.00 40.66 42.59 2kfs h LEU 32 CO 0.62 -0.28 -0.14 1.55 -0.00 0.00 0.00 178.44 180.18 2kfs h PRO 33 N -0.20 0.00 -0.20 1.13 0.13 -1.98 -1.40 132.00 129.48 2kfs h PRO 33 Ca 0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 2kfs h PRO 33 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2kfs h PRO 33 CO -0.63 0.14 -0.52 -0.09 -0.23 0.00 0.00 178.00 176.68 2kfs h ARG 34 N 0.00 0.56 -0.31 0.86 9.65 -1.35 -1.38 114.38 122.42 2kfs h ARG 34 Ca -0.00 -0.34 -0.15 0.00 -1.10 0.00 0.00 59.98 58.39 2kfs h ARG 34 Cb 0.26 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2kfs h ARG 34 CO 0.02 0.95 -0.41 0.28 2.80 0.00 0.00 179.97 183.60 2kfs h VAL 35 N 0.44 1.29 -0.99 0.20 2.07 -0.07 -0.95 116.25 118.23 2kfs h VAL 35 Ca 0.02 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 65.99 2kfs h VAL 35 Cb 1.05 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2kfs h VAL 35 CO 0.10 0.52 0.65 0.00 0.02 0.00 0.00 177.57 178.85 2kfs h ALA 36 N 0.93 1.33 -0.32 1.67 0.00 -1.09 0.61 119.26 122.38 2kfs h ALA 36 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kfs h ALA 36 Cb 0.96 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kfs h ALA 36 CO 0.09 0.52 0.11 1.49 0.00 0.00 0.00 179.25 181.46 2kfs h GLU 37 N 1.24 0.50 -0.22 0.00 4.81 -0.92 0.41 114.58 120.41 2kfs h GLU 37 Ca 0.40 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2kfs h GLU 37 Cb 0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2kfs h GLU 37 CO -0.13 0.53 0.05 1.25 -0.73 0.00 0.00 179.01 179.97 2kfs h LEU 38 N 0.37 0.33 0.00 1.64 5.85 -0.33 -3.10 115.31 120.07 2kfs h LEU 38 Ca 0.10 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kfs h LEU 38 Cb 0.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2kfs h LEU 38 CO -0.00 0.49 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.09 2kfs h LEU 39 N 0.16 0.00 0.25 2.25 3.38 -0.92 -3.48 115.31 116.96 2kfs h LEU 39 Ca 0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2kfs h LEU 39 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kfs h LEU 39 CO 0.00 0.02 -0.10 0.61 0.09 0.00 0.00 178.44 179.06 2kfs n GLY 40 N 1.20 0.31 3.25 0.83 0.00 0.07 -5.05 105.19 105.79 2kfs n GLY 40 Ca 0.03 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.34 1.21 0.83 1.61 -7.23 -0.82 -5.05 120.40 108.61 2kfs s VAL 41 Ca 0.02 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 2kfs s VAL 41 Cb -0.01 -1.76 0.09 0.00 0.56 0.00 0.00 36.38 35.26 2kfs s VAL 41 CO 0.02 -0.67 1.12 -2.16 -0.31 0.00 0.00 175.10 173.10 2kfs s PRO 42 N -3.48 1.74 0.43 4.82 0.04 -1.26 -4.43 135.00 132.86 2kfs s PRO 42 Ca 0.15 1.34 0.09 0.00 0.04 0.00 0.00 61.00 62.62 2kfs s PRO 42 Cb 0.01 -1.83 0.93 0.00 0.04 0.00 0.00 34.50 33.65 2kfs s PRO 42 CO 0.01 -2.06 2.05 0.28 0.04 0.00 0.00 177.00 177.33 2kfs h VAL 43 N -1.41 1.05 -0.79 -0.36 2.07 -1.92 -1.15 116.25 113.73 2kfs h VAL 43 Ca -0.43 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 43 Cb 1.25 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2kfs h VAL 43 CO 0.47 0.09 0.49 0.77 0.02 0.00 0.00 177.57 179.41 2kfs h SER 44 N 0.47 0.78 0.08 0.57 4.64 -1.97 -0.17 113.55 117.95 2kfs h SER 44 Ca 0.17 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 2kfs h SER 44 Cb 0.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2kfs h SER 44 CO -0.04 0.52 -0.46 0.11 -0.87 0.00 0.00 176.83 176.09 2kfs h LYS 45 N 0.92 0.45 -0.77 4.77 1.57 -1.59 -2.04 116.57 119.88 2kfs h LYS 45 Ca 0.33 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2kfs h LYS 45 Cb 0.09 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2kfs h LYS 45 CO -0.14 0.82 0.44 0.28 -0.57 0.00 0.00 179.45 180.28 2kfs h VAL 46 N 0.36 1.23 -0.82 0.50 2.07 -0.90 0.53 116.25 119.22 2kfs h VAL 46 Ca 0.02 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 46 Cb 0.95 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2kfs h VAL 46 CO 0.08 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.31 2kfs h ALA 47 N 1.23 1.06 -0.17 1.67 0.00 -0.82 -1.89 119.26 120.35 2kfs h ALA 47 Ca 0.27 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 47 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2kfs h ALA 47 CO -0.05 0.63 -0.51 -0.56 0.00 0.00 0.00 179.25 178.76 2kfs h GLN 48 N 1.17 0.46 -0.72 0.00 -0.00 -0.66 -1.76 115.11 113.61 2kfs h GLN 48 Ca 0.28 -0.27 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2kfs h GLN 48 Cb 0.12 0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 27.58 2kfs h GLN 48 CO -0.03 0.86 0.44 1.96 -0.00 0.00 0.00 178.83 182.06 2kfs h GLN 49 N 0.36 0.83 -0.38 0.06 1.08 -0.48 0.31 115.11 116.89 2kfs h GLN 49 Ca 0.01 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2kfs h GLN 49 Cb 1.02 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 2kfs h GLN 49 CO 0.09 0.55 0.23 1.25 -0.95 0.00 0.00 178.83 180.00 2kfs h LEU 50 N 0.85 0.45 -1.33 1.46 5.85 -1.18 0.33 115.31 121.73 2kfs h LEU 50 Ca 0.30 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2kfs h LEU 50 Cb 0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2kfs h LEU 50 CO -0.13 0.36 -0.08 0.03 -0.34 0.00 0.00 178.44 178.28 2kfs h ARG 51 N 0.50 0.00 -0.00 1.25 3.08 -0.45 -1.89 114.38 116.86 2kfs h ARG 51 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2kfs h ARG 51 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kfs h ARG 51 CO -0.03 0.08 -0.17 0.39 -1.07 0.00 0.00 179.97 179.17 2kfs n GLU 52 N -3.21 0.34 -1.11 0.04 -0.58 0.10 -0.01 120.64 116.22 2kfs n GLU 52 Ca 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2kfs n GLU 52 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.39 0.49 0.08 0.62 0.00 -0.71 -4.93 105.19 102.13 2kfs n GLY 53 Ca 0.10 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.07 0.67 -3.71 1.61 8.25 0.04 -4.28 115.22 114.72 2kfs n HIS 54 Ca 0.00 0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2kfs n HIS 54 Cb 0.12 -0.76 -0.07 0.00 1.12 0.00 0.00 29.99 30.40 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 -4.78 0.67 0.02 2.41 2.96 -1.20 -4.40 118.68 114.36 2kfs s LEU 55 Ca 0.01 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2kfs s LEU 55 Cb 0.12 1.53 -0.02 0.00 0.50 0.00 0.00 46.19 48.32 2kfs s LEU 55 CO 0.79 -0.66 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.42 2kfs s VAL 56 N -2.66 0.35 0.14 1.68 1.01 -1.26 -4.33 120.40 115.33 2kfs s VAL 56 Ca -0.04 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2kfs s VAL 56 Cb -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2kfs s VAL 56 CO -0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 175.10 174.64 2kfs s ALA 57 N -1.02 1.58 0.28 5.51 0.00 -1.26 -4.49 121.76 122.35 2kfs s ALA 57 Ca -0.08 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.55 2kfs s ALA 57 Cb -0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 2kfs s ALA 57 CO -0.00 0.07 -0.02 0.14 0.00 0.00 0.00 175.76 175.95 2kfs s VAL 58 N -2.42 1.40 -0.03 0.00 -7.23 0.34 -4.55 120.40 107.92 2kfs s VAL 58 Ca 0.12 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2kfs s VAL 58 Cb -0.03 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2kfs s VAL 58 CO 0.03 -0.25 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.75 2kfs s ARG 59 N -3.79 2.03 -0.18 4.82 3.52 -1.19 -0.09 118.95 124.07 2kfs s ARG 59 Ca 0.31 -0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 54.95 2kfs s ARG 59 Cb 0.05 -1.85 0.05 0.00 -1.56 0.00 0.00 34.95 31.65 2kfs s ARG 59 CO 0.12 0.41 0.48 -0.98 -0.81 0.00 0.00 175.30 174.52 2kfs s ARG 60 N -0.32 0.54 -1.05 5.12 1.70 0.39 -2.82 118.95 122.51 2kfs s ARG 60 Ca 0.03 0.71 0.00 0.00 -0.47 0.00 0.00 55.73 55.99 2kfs s ARG 60 Cb -0.11 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 2kfs s ARG 60 CO 0.01 -0.08 0.00 0.00 -1.08 0.00 0.00 175.30 174.15 2kfs n ALA 61 N 3.08 -0.15 -0.11 7.88 0.00 -1.26 -0.78 120.51 129.17 2kfs n ALA 61 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kfs n ALA 61 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.64 1.02 3.76 0.00 0.00 -1.26 -5.04 105.19 103.03 2kfs n GLY 62 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.82 1.98 -0.24 -0.02 0.00 0.04 -5.07 107.32 102.19 2kfs s GLY 63 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 2kfs s GLY 63 CO 0.00 -0.68 0.27 0.54 0.00 0.00 0.00 173.10 173.23 2kfs s VAL 64 N -1.10 5.27 0.08 1.40 0.11 -1.26 -0.46 120.40 124.44 2kfs s VAL 64 Ca 0.20 0.39 0.05 0.00 -2.93 0.00 0.00 61.98 59.69 2kfs s VAL 64 Cb -0.12 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2kfs s VAL 64 CO 0.10 0.27 -0.14 0.68 -3.33 0.00 0.00 175.10 172.68 2kfs s VAL 65 N 1.44 1.14 -0.20 2.04 -7.23 0.88 -4.54 120.40 113.92 2kfs s VAL 65 Ca 0.12 -1.40 -0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2kfs s VAL 65 Cb -0.15 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2kfs s VAL 65 CO 0.07 -0.28 0.05 -0.63 -0.31 0.00 0.00 175.10 174.00 2kfs s ILE 66 N -1.51 4.49 -0.04 -0.62 1.09 0.11 -0.50 121.20 124.21 2kfs s ILE 66 Ca 0.00 -0.13 -0.30 0.00 -1.10 0.00 0.00 60.65 59.13 2kfs s ILE 66 Cb -0.09 -3.04 -0.07 0.00 -1.06 0.00 0.00 42.46 38.20 2kfs s ILE 66 CO 0.02 0.42 1.91 -2.84 -0.10 0.00 0.00 174.94 174.36 2kfs s PRO 67 N 0.78 3.96 0.59 2.79 0.02 -1.26 -0.25 135.00 141.63 2kfs s PRO 67 Ca 0.03 2.36 0.31 0.00 0.02 0.00 0.00 61.00 63.71 2kfs s PRO 67 Cb -0.14 -4.15 1.83 0.00 0.02 0.00 0.00 34.50 32.06 2kfs s PRO 67 CO 0.02 -1.14 2.24 0.37 -0.33 0.00 0.00 177.00 178.16 2kfs h GLN 68 N 11.09 0.00 0.00 5.54 4.15 -1.75 -1.55 115.11 132.60 2kfs h GLN 68 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 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 0.95 0.02 0.00 1.33 -1.93 0.00 0.00 178.83 179.20 2kfs n VAL 69 N -3.72 0.70 0.66 2.39 0.24 -1.26 -0.77 118.33 116.57 2kfs n VAL 69 Ca -0.03 0.18 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 2kfs n VAL 69 Cb 0.11 -0.98 0.41 0.00 -1.47 0.00 0.00 33.84 31.91 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 -1.29 0.84 -4.12 6.34 3.01 -0.58 -4.78 117.46 116.88 2kfs n PHE 70 Ca 0.06 0.24 -0.29 0.00 1.01 0.00 0.00 57.45 58.47 2kfs n PHE 70 Cb 0.10 -0.89 -0.07 0.00 -0.01 0.00 0.00 39.48 38.60 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 -3.10 3.01 0.99 1.38 0.08 0.05 -3.03 117.98 117.37 2kfs s PHE 71 Ca 0.11 -0.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.97 2kfs s PHE 71 Cb 0.13 -1.52 0.20 0.00 -0.57 0.00 0.00 43.02 41.26 2kfs s PHE 71 CO 0.60 0.50 1.21 0.95 -0.10 0.00 0.00 175.22 178.38 2kfs s THR 72 N -1.44 1.90 0.13 0.64 -4.23 0.14 -4.86 115.64 107.92 2kfs s THR 72 Ca 0.27 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.11 2kfs s THR 72 Cb -0.11 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.26 2kfs s THR 72 CO 0.19 0.00 2.00 -1.13 -0.54 0.00 0.00 174.62 175.14 2kfs h ASN 73 N -1.79 0.00 0.34 3.99 -1.24 -1.94 0.20 115.58 115.14 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 0.46 0.00 -0.07 -1.20 -1.29 0.00 0.00 177.43 175.33 2kfs n SER 74 N -2.73 0.36 -0.23 1.15 7.64 -1.26 -4.90 113.62 113.64 2kfs n SER 74 Ca -0.01 -0.58 -0.02 0.00 1.01 0.00 0.00 58.87 59.27 2kfs n SER 74 Cb 0.14 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.24 0.38 3.34 0.23 0.00 0.06 -5.04 105.19 105.39 2kfs n GLY 75 Ca 0.16 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.41 1.29 0.27 1.61 2.00 -1.26 -4.71 119.66 115.46 2kfs s GLN 76 Ca 0.00 -1.41 -0.30 0.00 -2.00 0.00 0.00 55.36 51.65 2kfs s GLN 76 Cb 0.00 -1.38 -0.11 0.00 0.80 0.00 0.00 33.01 32.32 2kfs s GLN 76 CO 0.00 0.28 1.53 0.08 -0.50 0.00 0.00 175.29 176.68 2kfs s VAL 77 N -1.97 2.32 0.41 1.34 1.01 -1.26 0.25 120.40 122.49 2kfs s VAL 77 Ca 0.16 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 2kfs s VAL 77 Cb -0.06 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 2kfs s VAL 77 CO 0.07 0.04 1.42 -0.69 0.00 0.00 0.00 175.10 175.94 2kfs s VAL 78 N -0.00 2.21 0.21 2.92 1.01 -1.17 -4.79 120.40 120.79 2kfs s VAL 78 Ca 0.62 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 2kfs s VAL 78 Cb -0.45 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 32.97 2kfs s VAL 78 CO 0.46 0.04 1.76 0.50 0.00 0.00 0.00 175.10 177.86 2kfs h LYS 79 N 2.70 0.48 -0.35 2.72 3.64 -1.95 -1.83 116.57 121.98 2kfs h LYS 79 Ca -0.50 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 2kfs h LYS 79 Cb 1.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2kfs h LYS 79 CO 0.63 0.32 0.02 0.43 -2.27 0.00 0.00 179.45 178.58 2kfs n SER 80 N -4.93 3.95 -0.05 4.20 7.64 -1.26 -4.51 113.62 118.66 2kfs n SER 80 Ca 0.10 -3.14 -0.09 0.00 1.01 0.00 0.00 58.87 56.75 2kfs n SER 80 Cb 0.27 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 1.96 0.07 -2.21 -3.43 5.85 -1.70 -2.27 115.31 113.57 2kfs h LEU 81 Ca 0.06 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2kfs h LEU 81 Cb 1.62 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 2kfs h LEU 81 CO 0.32 0.07 0.07 -0.65 -0.34 0.00 0.00 178.44 177.91 2kfs h PRO 82 N 0.17 0.00 -0.37 5.25 0.11 -1.77 -2.23 132.00 133.16 2kfs h PRO 82 Ca 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2kfs h PRO 82 Cb 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2kfs h PRO 82 CO -0.11 0.00 0.16 0.78 -0.21 0.00 0.00 178.00 178.63 2kfs h GLY 83 N 0.00 0.58 1.13 -0.55 0.00 -1.68 0.19 103.07 102.75 2kfs h GLY 83 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2kfs h GLY 83 CO -0.00 0.29 -0.26 0.17 0.00 0.00 0.00 176.54 176.74 2kfs h LEU 84 N 0.46 1.02 -0.40 3.11 8.10 -1.37 -2.33 115.31 123.90 2kfs h LEU 84 Ca 0.13 -0.41 -0.04 0.00 0.11 0.00 0.00 57.88 57.67 2kfs h LEU 84 Cb 0.15 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 2kfs h LEU 84 CO -0.01 1.21 0.10 -0.07 -4.11 0.00 0.00 178.44 175.55 2kfs h LEU 85 N 0.84 0.60 -0.23 0.17 3.38 -1.25 -2.54 115.31 116.27 2kfs h LEU 85 Ca 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2kfs h LEU 85 Cb 0.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2kfs h LEU 85 CO 0.07 0.67 -0.04 0.74 0.09 0.00 0.00 178.44 179.97 2kfs h THR 86 N 0.50 1.28 -0.43 0.22 2.02 -0.53 -0.48 112.91 115.48 2kfs h THR 86 Ca 0.12 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2kfs h THR 86 Cb 0.31 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2kfs h THR 86 CO 0.00 0.31 0.24 -0.29 0.37 0.00 0.00 175.52 176.15 2kfs h ILE 87 N 0.18 1.16 -0.42 3.11 -0.00 -1.38 0.39 117.51 120.55 2kfs h ILE 87 Ca 0.06 -0.40 -0.09 0.00 -0.00 0.00 0.00 64.86 64.43 2kfs h ILE 87 Cb 0.49 0.64 -0.01 0.00 -0.00 0.00 0.00 36.82 37.94 2kfs h ILE 87 CO 0.02 0.16 -0.08 -0.07 -0.00 0.00 0.00 178.15 178.18 2kfs h LEU 88 N 0.56 0.79 -0.40 2.19 -0.00 -1.44 -1.21 115.31 115.81 2kfs h LEU 88 Ca 0.15 -0.35 -0.04 0.00 -0.00 0.00 0.00 57.88 57.64 2kfs h LEU 88 Cb 0.05 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 2kfs h LEU 88 CO -0.02 0.96 0.10 -0.74 -0.00 0.00 0.00 178.44 178.74 2kfs h HIS 89 N 0.61 0.67 0.00 1.13 2.76 -0.81 -1.70 115.15 117.81 2kfs h HIS 89 Ca 0.11 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 2kfs h HIS 89 Cb 0.61 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2kfs h HIS 89 CO 0.05 0.64 -0.28 0.22 -1.30 0.00 0.00 177.93 177.26 2kfs h ASP 90 N 0.50 0.00 0.91 3.26 1.82 -0.92 -1.92 116.42 120.08 2kfs h ASP 90 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2kfs h ASP 90 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2kfs h ASP 90 CO 0.00 0.28 0.00 0.61 -1.61 0.00 0.00 179.24 178.52 2kfs n GLY 91 N -0.30 -1.44 0.51 -0.78 0.00 -0.46 -4.93 105.19 97.79 2kfs n GLY 91 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.39 0.62 3.07 -0.02 0.00 -0.72 -4.96 105.19 104.57 2kfs n GLY 92 Ca 0.08 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.07 1.23 0.79 1.61 1.51 -0.82 -5.02 117.35 114.57 2kfs s TYR 93 Ca 0.00 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.65 2kfs s TYR 93 Cb 0.00 -0.83 0.08 0.00 -0.11 0.00 0.00 41.96 41.09 2kfs s TYR 93 CO 0.00 -0.09 1.14 -0.98 -1.11 0.00 0.00 175.55 174.51 2kfs s ARG 94 N -0.00 2.02 0.20 -0.62 1.70 -1.26 -4.41 118.95 116.58 2kfs s ARG 94 Ca -0.01 0.03 -0.10 0.00 -0.47 0.00 0.00 55.73 55.18 2kfs s ARG 94 Cb -0.08 -2.00 0.25 0.00 -0.57 0.00 0.00 34.95 32.55 2kfs s ARG 94 CO 0.01 -1.52 1.77 0.38 -1.08 0.00 0.00 175.30 174.86 2kfs h ASP 95 N -0.95 0.34 -0.86 -2.89 2.03 -1.92 -1.63 116.42 110.54 2kfs h ASP 95 Ca -0.46 0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 55.88 2kfs h ASP 95 Cb 1.33 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.79 2kfs h ASP 95 CO 0.65 0.21 0.46 0.74 -1.03 0.00 0.00 179.24 180.27 2kfs h THR 96 N 0.50 1.25 -0.29 1.15 2.02 -1.93 -2.10 112.91 113.51 2kfs h THR 96 Ca 0.29 -0.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2kfs h THR 96 Cb 0.30 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2kfs h THR 96 CO -0.25 0.29 -0.16 -0.33 0.37 0.00 0.00 175.52 175.44 2kfs h GLU 97 N 1.21 0.51 -0.19 6.66 4.39 -1.67 0.28 114.58 125.76 2kfs h GLU 97 Ca 0.30 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2kfs h GLU 97 Cb 0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kfs h GLU 97 CO -0.05 0.65 0.08 0.82 -1.16 0.00 0.00 179.01 179.36 2kfs h ILE 98 N 0.46 1.16 0.00 3.13 1.08 -0.94 -2.26 117.51 120.15 2kfs h ILE 98 Ca 0.08 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2kfs h ILE 98 Cb 0.55 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 2kfs h ILE 98 CO 0.04 0.16 -0.10 0.24 -0.69 0.00 0.00 178.15 177.79 2kfs h MET 99 N 0.16 0.00 0.24 2.37 2.86 -1.14 -2.90 114.93 116.53 2kfs h MET 99 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2kfs h MET 99 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2kfs h MET 99 CO -0.01 0.10 -0.14 -0.09 1.06 0.00 0.00 176.91 177.83 2kfs h ARG 100 N 0.00 -0.35 -0.08 1.72 2.43 -0.32 0.09 114.38 117.87 2kfs h ARG 100 Ca -0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2kfs h ARG 100 Cb 0.57 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2kfs h ARG 100 CO 0.01 -0.23 -0.43 0.11 -1.51 0.00 0.00 179.97 177.92 2kfs h TRP 101 N -0.36 0.22 -0.90 2.20 5.08 -1.63 -1.69 115.95 118.87 2kfs h TRP 101 Ca -0.03 -0.06 -0.02 0.00 1.08 0.00 0.00 58.89 59.86 2kfs h TRP 101 Cb 0.29 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.36 2kfs h TRP 101 CO 0.06 0.59 0.49 -0.07 -1.28 0.00 0.00 178.44 178.24 2kfs h LEU 102 N 0.15 1.13 -0.04 0.11 3.38 -1.41 -3.07 115.31 115.56 2kfs h LEU 102 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kfs h LEU 102 Cb 0.83 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kfs h LEU 102 CO 0.06 0.90 -0.91 0.49 0.09 0.00 0.00 178.44 179.08 2kfs n PHE 103 N -4.33 0.00 -2.91 1.13 3.01 0.01 -2.99 117.46 111.38 2kfs n PHE 103 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 2kfs n PHE 103 Cb 0.10 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.98 4.73 0.69 4.37 2.01 -0.64 -4.83 115.64 118.98 2kfs s THR 104 Ca 0.09 1.15 -0.15 0.00 0.31 0.00 0.00 61.69 63.09 2kfs s THR 104 Cb 0.16 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2kfs s THR 104 CO 0.84 -0.35 1.15 -2.84 -0.69 0.00 0.00 174.62 172.72 2kfs s PRO 105 N 3.11 2.54 -0.28 4.92 0.02 -1.26 -4.51 135.00 139.54 2kfs s PRO 105 Ca 0.34 1.53 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 2kfs s PRO 105 Cb -0.13 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2kfs s PRO 105 CO 0.15 -1.47 0.20 0.34 -0.33 0.00 0.00 177.00 175.88 2kfs s ASP 106 N -2.37 6.04 0.56 2.53 -1.08 -0.64 -4.92 116.67 116.79 2kfs s ASP 106 Ca 0.70 0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 2kfs s ASP 106 Cb -0.24 -2.12 1.57 0.00 -1.46 0.00 0.00 42.92 40.67 2kfs s ASP 106 CO 0.43 -0.05 2.20 -0.65 0.52 0.00 0.00 175.17 177.62 2kfs h PRO 107 N 8.28 0.00 -0.34 4.34 0.11 -1.93 -2.01 132.00 140.45 2kfs h PRO 107 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2kfs h PRO 107 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 107 CO 0.57 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 2kfs n SER 108 N -4.14 3.43 -4.81 -2.05 3.41 -1.26 -4.36 113.62 103.84 2kfs n SER 108 Ca -0.03 -2.00 -0.36 0.00 -0.26 0.00 0.00 58.87 56.22 2kfs n SER 108 Cb 0.09 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.57 4.13 -0.13 1.04 2.96 -0.76 -4.96 118.68 119.40 2kfs s LEU 109 Ca 0.37 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2kfs s LEU 109 Cb 0.23 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.95 2kfs s LEU 109 CO 0.32 0.39 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.78 2kfs s THR 110 N -0.89 1.00 0.12 3.68 2.01 -1.26 0.50 115.64 120.80 2kfs s THR 110 Ca 0.14 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2kfs s THR 110 Cb -0.12 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2kfs s THR 110 CO 0.03 0.29 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.46 2kfs s ILE 111 N 1.71 1.43 -0.16 1.82 -1.09 -0.15 -4.89 121.20 119.87 2kfs s ILE 111 Ca 0.04 -1.70 -0.20 0.00 -2.23 0.00 0.00 60.65 56.55 2kfs s ILE 111 Cb -0.13 -1.55 -0.03 0.00 -1.58 0.00 0.00 42.46 39.17 2kfs s ILE 111 CO -0.08 -0.35 0.60 0.42 -1.23 0.00 0.00 174.94 174.30 2kfs s THR 112 N -1.97 5.07 -0.21 2.92 -4.23 -1.26 0.29 115.64 116.25 2kfs s THR 112 Ca 0.09 1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 61.64 2kfs s THR 112 Cb -0.06 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 2kfs s THR 112 CO 0.04 0.19 0.21 -0.60 -0.54 0.00 0.00 174.62 173.91 2kfs s ARG 113 N 1.40 4.15 -0.19 3.99 3.00 -1.18 -4.93 118.95 125.18 2kfs s ARG 113 Ca 0.29 -0.13 -0.38 0.00 -1.00 0.00 0.00 55.73 54.51 2kfs s ARG 113 Cb -0.16 -3.49 -0.15 0.00 0.00 0.00 0.00 34.95 31.16 2kfs s ARG 113 CO 0.12 0.14 1.76 -0.25 0.00 0.00 0.00 175.30 177.07 2kfs n ASP 114 N 3.99 2.67 0.00 -2.12 8.00 -1.26 -1.75 116.55 126.08 2kfs n ASP 114 Ca -0.14 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2kfs n ASP 114 Cb 0.52 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 4.15 1.20 3.39 0.44 0.00 -1.26 -5.07 105.19 108.04 2kfs n GLY 115 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.30 0.10 0.00 1.61 0.15 -0.72 -5.02 113.70 109.52 2kfs s SER 116 Ca 0.00 -1.19 0.17 0.00 0.70 0.00 0.00 55.95 55.62 2kfs s SER 116 Cb 0.00 0.49 0.36 0.00 -1.71 0.00 0.00 66.02 65.15 2kfs s SER 116 CO 0.00 -1.00 1.27 -2.11 1.20 0.00 0.00 173.24 172.61 2kfs n ARG 117 N -0.34 2.32 -2.49 5.44 -4.01 -1.26 -4.35 116.66 111.96 2kfs n ARG 117 Ca 0.00 -2.07 -0.37 0.00 -1.04 0.00 0.00 57.85 54.38 2kfs n ARG 117 Cb 0.64 -1.39 -0.04 0.00 -3.04 0.00 0.00 32.46 28.64 2kfs n ARG 117 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2kfs s ASP 118 N -1.15 6.75 -0.18 2.89 2.15 -1.26 -4.90 116.67 120.97 2kfs s ASP 118 Ca 0.30 2.11 -0.22 0.00 0.43 0.00 0.00 52.55 55.17 2kfs s ASP 118 Cb 0.17 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2kfs s ASP 118 CO 0.23 -0.50 0.68 0.00 -0.17 0.00 0.00 175.17 175.41 2kfs s ALA 119 N -1.57 3.52 -0.21 3.66 0.00 -1.26 -3.12 121.76 122.77 2kfs s ALA 119 Ca 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 2kfs s ALA 119 Cb -0.24 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2kfs s ALA 119 CO 0.31 -0.52 -0.06 0.08 0.00 0.00 0.00 175.76 175.56 2kfs s VAL 120 N 1.84 3.24 0.18 0.00 1.01 0.15 -4.93 120.40 121.89 2kfs s VAL 120 Ca 0.32 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 2kfs s VAL 120 Cb -0.16 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 2kfs s VAL 120 CO 0.11 0.44 0.87 -0.44 0.00 0.00 0.00 175.10 176.08 2kfs s SER 121 N 1.41 7.50 -0.29 3.32 0.01 -1.26 -0.98 113.70 123.41 2kfs s SER 121 Ca 0.05 1.78 -0.00 0.00 1.31 0.00 0.00 55.95 59.09 2kfs s SER 121 Cb -0.14 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2kfs s SER 121 CO -0.04 0.13 0.27 -3.20 0.41 0.00 0.00 173.24 170.82 2kfs n ASN 122 N 1.83 -4.18 -4.77 2.44 5.15 0.18 -4.97 115.26 110.94 2kfs n ASN 122 Ca -0.03 -0.04 -0.23 0.00 -0.60 0.00 0.00 54.58 53.68 2kfs n ASN 122 Cb 0.48 -2.62 -0.06 0.00 -0.53 0.00 0.00 39.78 37.06 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 -3.01 3.65 0.16 5.20 0.00 -1.25 -4.77 121.76 121.73 2kfs s ALA 123 Ca 0.01 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.01 2kfs s ALA 123 Cb -0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 2kfs s ALA 123 CO 0.28 -0.07 0.42 -0.98 0.00 0.00 0.00 175.76 175.42 2kfs s ARG 124 N -3.92 3.68 0.57 0.00 1.70 -1.26 -1.62 118.95 118.10 2kfs s ARG 124 Ca 0.41 0.04 0.30 0.00 -0.47 0.00 0.00 55.73 56.01 2kfs s ARG 124 Cb -0.01 -2.82 1.45 0.00 -0.57 0.00 0.00 34.95 33.00 2kfs s ARG 124 CO 0.24 0.44 1.85 -1.35 -1.08 0.00 0.00 175.30 175.40 2kfs h PRO 125 N 2.88 0.00 -0.64 3.89 0.11 -1.77 0.13 132.00 136.60 2kfs h PRO 125 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2kfs h PRO 125 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2kfs h PRO 125 CO 0.71 0.00 0.37 0.28 -0.21 0.00 0.00 178.00 179.15 2kfs h VAL 126 N 0.00 1.19 -0.30 3.15 2.07 -1.89 0.34 116.25 120.81 2kfs h VAL 126 Ca 0.33 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 2kfs h VAL 126 Cb 1.55 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2kfs h VAL 126 CO -0.00 0.20 -0.35 0.44 0.02 0.00 0.00 177.57 177.88 2kfs h ASP 127 N 0.89 0.70 -0.44 0.57 3.32 -1.06 -2.71 116.42 117.69 2kfs h ASP 127 Ca 0.23 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 2kfs h ASP 127 Cb -0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2kfs h ASP 127 CO -0.04 0.99 -0.27 0.00 -1.72 0.00 0.00 179.24 178.20 2kfs h ALA 128 N 1.05 0.63 -0.52 3.45 0.00 -1.23 -2.13 119.26 120.51 2kfs h ALA 128 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2kfs h ALA 128 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kfs h ALA 128 CO 0.08 0.66 -0.09 1.37 0.00 0.00 0.00 179.25 181.27 2kfs h LEU 129 N 0.81 0.94 -0.43 0.00 8.10 -0.82 0.99 115.31 124.90 2kfs h LEU 129 Ca 0.09 -0.29 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2kfs h LEU 129 Cb 0.86 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 2kfs h LEU 129 CO 0.08 1.04 0.00 -0.74 -4.11 0.00 0.00 178.44 174.71 2kfs h HIS 130 N 0.85 0.00 -0.10 0.17 2.76 -1.45 -1.30 115.15 116.08 2kfs h HIS 130 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2kfs h HIS 130 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 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 -1.93 2.55 -2.09 5.26 0.00 -0.79 -4.88 120.51 118.63 2kfs n ALA 131 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 2kfs n ALA 131 Cb 0.39 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.12 -0.50 -1.09 0.00 -0.00 -0.49 -4.89 115.22 108.13 2kfs n HIS 132 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.84 2kfs n HIS 132 Cb 0.22 -2.73 0.29 0.00 -0.00 0.00 0.00 29.99 27.76 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 -2.29 3.36 0.00 -0.41 6.02 0.28 -4.67 117.38 119.66 2kfs n GLN 133 Ca -0.15 -3.06 0.23 0.00 -0.01 0.00 0.00 57.00 54.00 2kfs n GLN 133 Cb 0.58 -2.10 0.73 0.00 1.02 0.00 0.00 30.24 30.46 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 2.32 2.38 -0.71 -1.58 0.00 -1.75 -1.50 119.26 118.42 2kfs h ALA 134 Ca 0.21 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2kfs h ALA 134 Cb 2.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 2kfs h ALA 134 CO 0.60 -0.79 0.37 -0.09 0.00 0.00 0.00 179.25 179.35 2kfs h ARG 135 N 0.00 0.63 -0.04 0.00 9.65 -1.94 0.13 114.38 122.83 2kfs h ARG 135 Ca 0.27 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.95 2kfs h ARG 135 Cb 1.26 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 2kfs h ARG 135 CO -0.00 0.42 -0.68 1.49 2.80 0.00 0.00 179.97 184.00 2kfs h GLU 136 N 0.65 0.17 -0.44 0.20 4.22 -1.67 -2.35 114.58 115.36 2kfs h GLU 136 Ca 0.33 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.56 2kfs h GLU 136 Cb 0.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kfs h GLU 136 CO -0.23 0.79 -0.04 0.28 -2.18 0.00 0.00 179.01 177.63 2kfs h VAL 137 N 0.12 1.27 -0.85 0.32 2.07 -1.25 -1.69 116.25 116.24 2kfs h VAL 137 Ca -0.01 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2kfs h VAL 137 Cb 1.21 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2kfs h VAL 137 CO 0.10 0.38 0.55 0.58 0.02 0.00 0.00 177.57 179.20 2kfs h VAL 138 N 0.64 1.17 -0.40 2.57 2.07 -0.68 0.08 116.25 121.71 2kfs h VAL 138 Ca 0.12 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2kfs h VAL 138 Cb 0.55 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2kfs h VAL 138 CO 0.03 0.20 0.16 -0.09 0.02 0.00 0.00 177.57 177.89 2kfs h ARG 139 N 1.10 0.32 -0.25 1.57 2.43 -0.99 -0.53 114.38 118.04 2kfs h ARG 139 Ca 0.33 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2kfs h ARG 139 Cb -0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2kfs h ARG 139 CO -0.10 0.21 -0.36 0.00 -1.51 0.00 0.00 179.97 178.21 2kfs h ARG 140 N 0.33 0.55 -0.57 0.20 3.08 -0.76 -2.20 114.38 115.01 2kfs h ARG 140 Ca 0.18 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2kfs h ARG 140 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2kfs h ARG 140 CO -0.17 0.83 0.28 0.00 -1.07 0.00 0.00 179.97 179.85 2kfs h ALA 141 N 1.15 0.73 -0.41 0.04 0.00 -0.31 0.85 119.26 121.30 2kfs h ALA 141 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kfs h ALA 141 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kfs h ALA 141 CO 0.07 0.29 0.27 1.96 0.00 0.00 0.00 179.25 181.84 2kfs h GLN 142 N 0.77 0.55 -0.47 0.00 1.08 -0.97 -1.44 115.11 114.63 2kfs h GLN 142 Ca 0.20 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2kfs h GLN 142 Cb 0.10 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2kfs h GLN 142 CO -0.03 0.37 0.05 0.00 -0.95 0.00 0.00 178.83 178.28 2kfs h ALA 143 N 1.14 1.21 0.00 3.87 0.00 -0.85 -2.26 119.26 122.38 2kfs h ALA 143 Ca 0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2kfs h ALA 143 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2kfs h ALA 143 CO -0.03 0.53 -0.69 0.52 0.00 0.00 0.00 179.25 179.58 2kfs h MET 144 N 0.71 0.00 0.00 0.00 2.86 -0.61 -3.38 114.93 114.51 2kfs h MET 144 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2kfs h MET 144 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2kfs h MET 144 CO 0.01 0.69 -0.09 0.00 1.06 0.00 0.00 176.91 178.58 2kfs h ALA 145 N 1.31 0.00 -0.01 6.32 0.00 -0.94 -3.51 119.26 122.43 2kfs h ALA 145 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kfs h ALA 145 Cb 1.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2kfs h ALA 145 CO 0.09 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.09