#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 3.07 -0.07 0.03 0.04 -1.21 -4.65 135.00 132.20 2kfs s PRO 2 Ca 0.00 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.59 2kfs s PRO 2 Cb 0.00 -4.23 0.03 0.00 0.04 0.00 0.00 34.50 30.34 2kfs s PRO 2 CO 0.00 -2.22 0.00 0.20 0.04 0.00 0.00 177.00 175.02 2kfs s GLY 3 N 5.81 0.47 0.28 0.56 0.00 -1.26 -5.05 107.32 108.13 2kfs s GLY 3 Ca 0.59 -0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 2kfs s GLY 3 CO 0.24 1.15 1.14 0.50 0.00 0.00 0.00 173.10 176.12 2kfs s ARG 4 N 1.97 4.58 -0.43 2.90 3.00 -1.26 -5.02 118.95 124.69 2kfs s ARG 4 Ca 0.05 1.87 0.02 0.00 0.00 0.00 0.00 55.73 57.68 2kfs s ARG 4 Cb -0.12 -3.18 0.13 0.00 0.00 0.00 0.00 34.95 31.78 2kfs s ARG 4 CO -0.05 0.12 0.21 0.00 0.00 0.00 0.00 175.30 175.58 2kfs s ALA 5 N -1.05 2.45 -0.20 2.13 0.00 -1.26 -5.08 121.76 118.76 2kfs s ALA 5 Ca 0.46 -2.65 -0.29 0.00 0.00 0.00 0.00 51.96 49.47 2kfs s ALA 5 Cb -0.33 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 2kfs s ALA 5 CO 0.42 -1.97 1.33 -2.14 0.00 0.00 0.00 175.76 173.41 2kfs s PRO 6 N 0.40 4.09 0.00 0.00 0.02 -1.26 -4.72 135.00 133.53 2kfs s PRO 6 Ca 0.16 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2kfs s PRO 6 Cb -0.23 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.44 2kfs s PRO 6 CO -0.04 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 2kfs n GLY 7 N 3.96 -0.51 3.58 0.52 0.00 -1.26 -5.11 105.19 106.36 2kfs n GLY 7 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 8 N -4.00 -0.82 0.53 1.61 0.15 -1.26 -5.15 113.70 104.76 2kfs s SER 8 Ca 0.00 1.20 -0.21 0.00 0.70 0.00 0.00 55.95 57.64 2kfs s SER 8 Cb 0.00 1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 65.96 2kfs s SER 8 CO 0.00 -0.18 1.25 -0.89 1.20 0.00 0.00 173.24 174.62 2kfs s THR 9 N 2.17 2.59 0.57 6.45 2.01 -1.26 -5.03 115.64 123.14 2kfs s THR 9 Ca -0.07 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2kfs s THR 9 Cb -0.07 -3.20 0.14 0.00 0.01 0.00 0.00 72.50 69.38 2kfs s THR 9 CO -0.18 -0.03 0.51 0.18 -0.69 0.00 0.00 174.62 174.41 2kfs n LEU 10 N -0.98 0.00 -4.57 4.42 4.77 -1.26 -4.85 117.00 114.52 2kfs n LEU 10 Ca 0.10 -0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 55.14 2kfs n LEU 10 Cb 0.47 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2kfs n LEU 10 CO 0.49 -1.53 1.84 0.00 -1.33 0.00 0.00 177.39 176.86 2kfs s ALA 11 N -3.02 2.25 -0.20 -1.18 0.00 -1.26 -4.93 121.76 113.42 2kfs s ALA 11 Ca 0.33 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 2kfs s ALA 11 Cb -0.03 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 18.86 2kfs s ALA 11 CO 0.25 -3.55 0.01 -0.98 0.00 0.00 0.00 175.76 171.49 2kfs s ARG 12 N 7.08 3.66 -0.32 0.00 1.70 -1.26 -5.07 118.95 124.75 2kfs s ARG 12 Ca 0.92 -0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 55.67 2kfs s ARG 12 Cb -0.23 -3.10 0.06 0.00 -0.57 0.00 0.00 34.95 31.11 2kfs s ARG 12 CO 0.30 0.04 0.03 0.14 -1.08 0.00 0.00 175.30 174.73 2kfs s VAL 13 N 0.93 2.93 -1.07 4.99 -7.23 -1.26 -4.65 120.40 115.05 2kfs s VAL 13 Ca 0.02 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2kfs s VAL 13 Cb -0.14 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2kfs s VAL 13 CO 0.02 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2kfs n GLY 14 N 4.58 1.14 3.40 2.32 0.00 -1.26 -4.95 105.19 110.42 2kfs n GLY 14 Ca -0.11 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.77 5.47 -0.18 1.61 0.01 -1.26 -3.90 113.70 112.67 2kfs s SER 15 Ca 0.00 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 2kfs s SER 15 Cb 0.00 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 64.26 2kfs s SER 15 CO 0.00 -0.22 -0.15 -0.63 0.41 0.00 0.00 173.24 172.65 2kfs s ILE 16 N 1.57 2.58 1.06 1.44 1.01 -1.26 -4.99 121.20 122.62 2kfs s ILE 16 Ca 0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 2kfs s ILE 16 Cb -0.17 -2.11 0.23 0.00 0.01 0.00 0.00 42.46 40.41 2kfs s ILE 16 CO 0.05 0.50 1.07 -2.84 0.00 0.00 0.00 174.94 173.72 2kfs s PRO 17 N 1.19 -0.11 0.05 2.79 0.02 -1.26 -4.91 135.00 132.77 2kfs s PRO 17 Ca 0.02 0.99 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 2kfs s PRO 17 Cb -0.14 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 2kfs s PRO 17 CO -0.06 -3.22 0.89 0.00 -0.33 0.00 0.00 177.00 174.28 2kfs s ALA 18 N -2.60 3.26 0.80 -1.55 0.00 -1.26 -4.89 121.76 115.52 2kfs s ALA 18 Ca 0.67 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2kfs s ALA 18 Cb -0.23 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kfs s ALA 18 CO 0.62 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2kfs n GLY 19 N 2.54 -0.37 3.60 0.00 0.00 -1.16 -4.31 105.19 105.49 2kfs n GLY 19 Ca 0.02 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 6.66 -0.40 1.61 2.15 -1.26 -1.66 116.67 122.77 2kfs s ASP 20 Ca 0.00 0.51 -0.40 0.00 0.43 0.00 0.00 52.55 53.10 2kfs s ASP 20 Cb 0.00 -2.48 -0.15 0.00 -0.30 0.00 0.00 42.92 39.99 2kfs s ASP 20 CO 0.00 -0.97 2.09 -0.90 -0.17 0.00 0.00 175.17 175.21 2kfs n ASP 21 N 7.06 1.64 0.05 -0.34 5.75 -1.24 -4.82 116.55 124.65 2kfs n ASP 21 Ca 0.08 0.63 -0.19 0.00 -0.01 0.00 0.00 54.79 55.30 2kfs n ASP 21 Cb 0.48 -1.10 -0.14 0.00 -1.03 0.00 0.00 41.12 39.33 2kfs n ASP 21 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2kfs h VAL 22 N 6.71 0.92 -4.24 2.12 2.07 -1.91 -3.47 116.25 118.45 2kfs h VAL 22 Ca -0.24 -2.58 -0.49 0.00 0.82 0.00 0.00 66.70 64.21 2kfs h VAL 22 Cb 1.36 2.67 0.12 0.00 -1.52 0.00 0.00 31.29 33.92 2kfs h VAL 22 CO 1.03 0.82 0.32 -1.48 0.02 0.00 0.00 177.57 178.28 2kfs s LEU 23 N -7.02 2.53 0.58 2.57 0.05 -1.26 -5.02 118.68 111.11 2kfs s LEU 23 Ca -0.14 1.36 -0.19 0.00 0.05 0.00 0.00 54.13 55.21 2kfs s LEU 23 Cb 0.06 -3.94 -0.04 0.00 -2.05 0.00 0.00 46.19 40.23 2kfs s LEU 23 CO 0.83 -2.12 1.19 -1.81 -0.55 0.00 0.00 176.35 173.89 2kfs s ASP 24 N -3.78 5.32 0.29 1.48 1.11 -1.26 -4.92 116.67 114.90 2kfs s ASP 24 Ca 0.61 2.33 0.04 0.00 0.18 0.00 0.00 52.55 55.71 2kfs s ASP 24 Cb -0.15 -2.59 0.67 0.00 1.07 0.00 0.00 42.92 41.92 2kfs s ASP 24 CO 0.55 -1.50 1.77 -0.65 1.18 0.00 0.00 175.17 176.51 2kfs h PRO 25 N 0.95 0.68 -0.68 8.23 0.11 -1.96 -1.08 132.00 138.24 2kfs h PRO 25 Ca -0.50 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.29 2kfs h PRO 25 Cb 1.29 -0.15 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 2kfs h PRO 25 CO 0.55 0.45 0.28 -0.25 -0.21 0.00 0.00 178.00 178.83 2kfs n ASP 26 N -4.82 3.90 -4.76 -2.05 9.92 -1.26 -4.94 116.55 112.53 2kfs n ASP 26 Ca 0.21 -3.44 -0.41 0.00 -0.53 0.00 0.00 54.79 50.62 2kfs n ASP 26 Cb 0.53 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 2kfs n ASP 26 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2kfs s GLU 27 N -3.13 4.41 -0.41 -1.24 2.56 -0.41 -4.83 118.70 115.64 2kfs s GLU 27 Ca 0.52 2.12 -0.36 0.00 0.00 0.00 0.00 54.97 57.24 2kfs s GLU 27 Cb 0.44 -3.12 -0.16 0.00 2.00 0.00 0.00 34.13 33.29 2kfs s GLU 27 CO 0.09 -0.15 1.73 -2.30 -0.56 0.00 0.00 175.26 174.07 2kfs n PRO 28 N 1.38 0.00 -4.34 4.30 -0.01 -1.26 -4.90 135.00 130.17 2kfs n PRO 28 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.32 2kfs n PRO 28 Cb 0.42 -1.23 -0.09 0.00 -0.01 0.00 0.00 33.50 32.59 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 2kfs s THR 29 N 4.78 0.31 0.18 3.45 -4.23 -1.26 -1.68 115.64 117.19 2kfs s THR 29 Ca 0.98 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.54 2kfs s THR 29 Cb -1.23 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 2kfs s THR 29 CO 0.55 0.00 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.24 2kfs s TYR 30 N -3.58 1.44 0.22 3.99 2.02 0.54 -4.68 117.35 117.31 2kfs s TYR 30 Ca 0.35 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2kfs s TYR 30 Cb 0.05 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 2kfs s TYR 30 CO 0.18 0.11 0.03 0.34 -1.57 0.00 0.00 175.55 174.65 2kfs s ASP 31 N -3.24 1.44 0.16 2.29 -1.08 -1.26 -0.19 116.67 114.80 2kfs s ASP 31 Ca 0.21 -1.26 -0.25 0.00 -0.52 0.00 0.00 52.55 50.73 2kfs s ASP 31 Cb 0.03 0.09 0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2kfs s ASP 31 CO 0.04 -0.60 1.58 -0.07 0.52 0.00 0.00 175.17 176.63 2kfs h LEU 32 N 2.50 -1.35 -0.93 -1.34 3.38 -1.98 0.36 115.31 115.95 2kfs h LEU 32 Ca -0.38 0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2kfs h LEU 32 Cb 1.22 0.61 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 2kfs h LEU 32 CO 0.63 -0.35 0.59 1.55 0.09 0.00 0.00 178.44 180.95 2kfs h PRO 33 N -0.27 1.05 -0.15 1.13 0.13 -1.98 -0.77 132.00 131.13 2kfs h PRO 33 Ca 0.17 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 2kfs h PRO 33 Cb 0.57 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2kfs h PRO 33 CO -0.61 0.69 -0.52 0.00 -0.23 0.00 0.00 178.00 177.34 2kfs h ARG 34 N 1.08 0.43 -0.25 0.86 -0.00 -1.32 0.11 114.38 115.29 2kfs h ARG 34 Ca 0.40 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.98 59.52 2kfs h ARG 34 Cb 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.15 2kfs h ARG 34 CO -0.17 0.84 -0.25 0.28 0.00 0.00 0.00 179.97 180.67 2kfs h VAL 35 N 0.33 1.31 -0.64 2.04 2.07 0.00 0.15 116.25 121.53 2kfs h VAL 35 Ca 0.01 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2kfs h VAL 35 Cb 1.02 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2kfs h VAL 35 CO 0.09 0.44 0.36 0.00 0.02 0.00 0.00 177.57 178.49 2kfs h ALA 36 N 0.67 1.44 -0.24 1.67 0.00 -1.02 -0.36 119.26 121.43 2kfs h ALA 36 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2kfs h ALA 36 Cb 0.81 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kfs h ALA 36 CO 0.06 0.47 -0.06 1.49 0.00 0.00 0.00 179.25 181.21 2kfs h GLU 37 N 0.88 0.47 0.01 0.00 4.81 -0.51 0.80 114.58 121.04 2kfs h GLU 37 Ca 0.23 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2kfs h GLU 37 Cb -0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2kfs h GLU 37 CO -0.04 0.70 -0.00 1.25 -0.73 0.00 0.00 179.01 180.19 2kfs h LEU 38 N 0.21 -0.01 0.00 1.64 5.85 -0.15 -3.12 115.31 119.73 2kfs h LEU 38 Ca 0.06 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2kfs h LEU 38 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kfs h LEU 38 CO 0.03 0.28 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.05 2kfs h LEU 39 N -0.30 0.00 0.81 2.25 3.38 -1.15 -3.48 115.31 116.82 2kfs h LEU 39 Ca -0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2kfs h LEU 39 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2kfs h LEU 39 CO 0.00 0.01 -0.15 0.61 0.09 0.00 0.00 178.44 179.00 2kfs n GLY 40 N 1.19 0.20 3.46 0.83 0.00 0.21 -5.04 105.19 106.04 2kfs n GLY 40 Ca 0.03 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.30 1.78 0.70 1.61 -7.23 -0.78 -5.03 120.40 109.16 2kfs s VAL 41 Ca 0.00 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 57.92 2kfs s VAL 41 Cb 0.00 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kfs s VAL 41 CO 0.00 -0.26 1.08 -2.16 -0.31 0.00 0.00 175.10 173.45 2kfs s PRO 42 N -3.70 2.94 0.41 4.82 0.05 -1.26 -4.39 135.00 133.86 2kfs s PRO 42 Ca 0.31 0.54 0.09 0.00 0.05 0.00 0.00 61.00 61.99 2kfs s PRO 42 Cb 0.04 -2.02 0.91 0.00 0.05 0.00 0.00 34.50 33.47 2kfs s PRO 42 CO 0.13 -1.00 2.02 0.28 0.05 0.00 0.00 177.00 178.49 2kfs h VAL 43 N -0.63 1.02 -0.85 -0.36 2.07 -1.94 -1.41 116.25 114.15 2kfs h VAL 43 Ca -0.45 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2kfs h VAL 43 Cb 1.24 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2kfs h VAL 43 CO 0.63 0.10 0.49 0.77 0.02 0.00 0.00 177.57 179.57 2kfs h SER 44 N 0.52 1.04 0.28 0.57 4.64 -1.99 0.81 113.55 119.44 2kfs h SER 44 Ca 0.21 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 2kfs h SER 44 Cb 0.18 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2kfs h SER 44 CO -0.06 0.82 -0.45 0.50 -0.87 0.00 0.00 176.83 176.78 2kfs h LYS 45 N 1.18 0.21 -0.53 4.77 3.64 -1.65 -1.59 116.57 122.60 2kfs h LYS 45 Ca 0.30 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2kfs h LYS 45 Cb -0.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2kfs h LYS 45 CO -0.05 0.63 0.09 0.28 -2.27 0.00 0.00 179.45 178.12 2kfs h VAL 46 N 0.17 1.25 -0.66 2.00 2.07 -0.94 -2.19 116.25 117.95 2kfs h VAL 46 Ca 0.01 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.61 2kfs h VAL 46 Cb 0.87 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2kfs h VAL 46 CO 0.07 0.34 0.44 0.00 0.02 0.00 0.00 177.57 178.44 2kfs h ALA 47 N 0.99 1.61 -0.33 1.67 0.00 -0.45 -1.33 119.26 121.42 2kfs h ALA 47 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2kfs h ALA 47 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kfs h ALA 47 CO 0.01 0.33 -0.16 1.96 0.00 0.00 0.00 179.25 181.40 2kfs h GLN 48 N 0.82 0.59 -0.20 0.00 1.08 -0.76 0.18 115.11 116.82 2kfs h GLN 48 Ca 0.26 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2kfs h GLN 48 Cb 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2kfs h GLN 48 CO -0.07 0.72 0.06 1.96 -0.95 0.00 0.00 178.83 180.55 2kfs h GLN 49 N 0.53 0.32 -0.45 1.46 1.08 -0.69 -1.82 115.11 115.55 2kfs h GLN 49 Ca 0.09 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kfs h GLN 49 Cb 0.58 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2kfs h GLN 49 CO 0.04 0.44 0.24 -0.07 -0.95 0.00 0.00 178.83 178.52 2kfs h LEU 50 N 0.15 0.57 -1.93 1.46 3.38 -1.06 0.89 115.31 118.77 2kfs h LEU 50 Ca 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2kfs h LEU 50 Cb 0.25 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kfs h LEU 50 CO -0.00 0.50 -0.10 0.03 0.09 0.00 0.00 178.44 178.97 2kfs h ARG 51 N 0.58 0.00 -0.23 1.13 3.08 -0.50 -2.11 114.38 116.35 2kfs h ARG 51 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kfs h ARG 51 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2kfs h ARG 51 CO -0.02 0.10 0.00 0.39 -1.07 0.00 0.00 179.97 179.36 2kfs n GLU 52 N -3.49 2.21 -2.78 0.04 1.02 -0.70 -4.67 120.64 112.27 2kfs n GLU 52 Ca -0.02 -2.02 -0.07 0.00 -0.02 0.00 0.00 57.16 55.04 2kfs n GLU 52 Cb 0.24 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.27 0.47 0.00 0.62 0.00 -0.79 -4.94 105.19 101.82 2kfs n GLY 53 Ca 0.15 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 0.00 -3.58 1.61 8.25 0.25 -4.65 115.22 114.00 2kfs n HIS 54 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2kfs n HIS 54 Cb 0.52 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -3.28 -0.07 0.05 2.41 2.96 -1.24 -4.39 118.68 115.13 2kfs s LEU 55 Ca 0.04 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2kfs s LEU 55 Cb 0.15 2.23 -0.02 0.00 0.50 0.00 0.00 46.19 49.04 2kfs s LEU 55 CO 0.83 -0.96 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.06 2kfs s VAL 56 N -3.80 1.22 0.10 1.68 1.01 -1.26 -4.47 120.40 114.87 2kfs s VAL 56 Ca 0.04 -1.12 0.10 0.00 0.00 0.00 0.00 61.98 61.00 2kfs s VAL 56 Cb -0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2kfs s VAL 56 CO -0.10 -0.03 -0.26 0.00 0.00 0.00 0.00 175.10 174.71 2kfs s ALA 57 N -0.95 2.30 0.15 5.51 0.00 -1.26 -4.31 121.76 123.19 2kfs s ALA 57 Ca 0.02 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 50.66 2kfs s ALA 57 Cb -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2kfs s ALA 57 CO 0.02 0.53 -0.16 0.14 0.00 0.00 0.00 175.76 176.28 2kfs s VAL 58 N -0.99 1.59 -0.28 0.00 -7.23 0.98 -3.00 120.40 111.48 2kfs s VAL 58 Ca 0.13 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2kfs s VAL 58 Cb -0.10 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.14 2kfs s VAL 58 CO 0.05 -0.37 0.04 -0.60 -0.31 0.00 0.00 175.10 173.90 2kfs s ARG 59 N -2.76 3.03 -0.11 4.82 3.52 -0.66 -0.72 118.95 126.06 2kfs s ARG 59 Ca 0.13 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2kfs s ARG 59 Cb -0.05 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 2kfs s ARG 59 CO 0.05 -0.42 -0.12 -0.98 -0.81 0.00 0.00 175.30 173.01 2kfs s ARG 60 N 1.45 1.96 -0.85 5.12 1.04 0.37 -3.67 118.95 124.38 2kfs s ARG 60 Ca 0.02 -0.45 0.00 0.00 -1.04 0.00 0.00 55.73 54.26 2kfs s ARG 60 Cb -0.17 -1.77 0.00 0.00 -2.04 0.00 0.00 34.95 30.97 2kfs s ARG 60 CO 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 175.30 175.13 2kfs n ALA 61 N 4.44 -0.12 -0.20 7.88 0.00 -1.26 -0.69 120.51 130.56 2kfs n ALA 61 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kfs n ALA 61 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.32 0.73 3.70 0.00 0.00 -1.26 -4.21 105.19 103.83 2kfs n GLY 62 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.55 1.90 -0.27 -0.02 0.00 0.14 -1.46 107.32 106.06 2kfs s GLY 63 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.62 2kfs s GLY 63 CO 0.00 -0.85 0.31 0.14 0.00 0.00 0.00 173.10 172.70 2kfs s VAL 64 N -1.14 5.22 0.23 1.40 1.01 -1.26 -0.48 120.40 125.39 2kfs s VAL 64 Ca 0.21 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2kfs s VAL 64 Cb -0.12 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.12 0.19 0.10 0.68 0.00 0.00 0.00 175.10 176.19 2kfs s VAL 65 N 1.96 0.39 -0.11 2.92 -7.23 0.10 -4.53 120.40 113.90 2kfs s VAL 65 Ca 0.12 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2kfs s VAL 65 Cb -0.16 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2kfs s VAL 65 CO 0.10 -0.04 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.99 2kfs s ILE 66 N -3.88 2.10 -0.01 -0.62 1.01 0.74 -0.01 121.20 120.53 2kfs s ILE 66 Ca 0.37 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 59.69 2kfs s ILE 66 Cb 0.07 -1.81 -0.12 0.00 0.01 0.00 0.00 42.46 40.62 2kfs s ILE 66 CO 0.12 0.56 1.84 -2.65 0.00 0.00 0.00 174.94 174.81 2kfs n PRO 67 N 3.61 2.31 0.26 2.79 -0.02 -1.26 -0.34 135.00 142.35 2kfs n PRO 67 Ca -0.19 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2kfs n PRO 67 Cb 0.53 -2.70 0.69 0.00 -0.02 0.00 0.00 33.50 32.00 2kfs n PRO 67 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kfs h GLN 68 N 8.76 0.00 0.00 -0.52 4.15 -1.60 -2.01 115.11 123.90 2kfs h GLN 68 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2kfs h GLN 68 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kfs h GLN 68 CO 0.94 0.13 0.00 1.33 -1.93 0.00 0.00 178.83 179.30 2kfs n VAL 69 N -3.74 0.38 1.33 2.39 0.24 -1.26 -1.12 118.33 116.54 2kfs n VAL 69 Ca -0.02 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 2kfs n VAL 69 Cb 0.24 -0.79 0.51 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.24 0.00 -4.33 6.34 3.01 -0.76 -4.79 117.46 115.69 2kfs n PHE 70 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.27 2kfs n PHE 70 Cb 0.14 -0.16 -0.11 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.49 2.49 0.69 1.38 0.08 -0.28 -2.52 117.98 117.32 2kfs s PHE 71 Ca 0.27 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 56.94 2kfs s PHE 71 Cb 0.20 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.39 2kfs s PHE 71 CO 0.49 0.42 1.04 0.95 -0.10 0.00 0.00 175.22 178.02 2kfs s THR 72 N -1.29 2.98 -0.16 0.64 -4.23 0.15 -4.84 115.64 108.88 2kfs s THR 72 Ca 0.19 0.08 0.28 0.00 -1.18 0.00 0.00 61.69 61.06 2kfs s THR 72 Cb -0.10 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.77 2kfs s THR 72 CO 0.10 -0.32 1.84 -1.13 -0.54 0.00 0.00 174.62 174.57 2kfs h ASN 73 N -0.58 0.00 0.18 3.99 -1.24 -1.93 -1.32 115.58 114.69 2kfs h ASN 73 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 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 0.62 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.56 2kfs n SER 74 N -2.53 0.00 -0.21 1.15 7.64 -1.26 -4.88 113.62 113.54 2kfs n SER 74 Ca 0.00 -0.73 -0.02 0.00 1.01 0.00 0.00 58.87 59.14 2kfs n SER 74 Cb 0.19 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.09 0.34 3.24 0.23 0.00 -0.50 -5.04 105.19 104.54 2kfs n GLY 75 Ca 0.21 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.73 1.49 0.36 1.61 0.74 -1.25 -4.60 119.66 114.27 2kfs s GLN 76 Ca 0.00 -0.86 -0.28 0.00 0.05 0.00 0.00 55.36 54.27 2kfs s GLN 76 Cb 0.00 -1.54 -0.10 0.00 1.10 0.00 0.00 33.01 32.47 2kfs s GLN 76 CO 0.00 0.40 1.29 0.08 -0.55 0.00 0.00 175.29 176.51 2kfs s VAL 77 N -0.68 2.75 0.03 1.34 1.01 -1.26 0.30 120.40 123.89 2kfs s VAL 77 Ca 0.08 0.72 -0.32 0.00 0.00 0.00 0.00 61.98 62.46 2kfs s VAL 77 Cb -0.08 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 2kfs s VAL 77 CO 0.01 0.15 1.87 0.52 0.00 0.00 0.00 175.10 177.65 2kfs n VAL 78 N 0.55 0.53 0.21 2.92 0.31 -1.05 -4.77 118.33 117.04 2kfs n VAL 78 Ca 0.01 -0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.31 2kfs n VAL 78 Cb 0.43 -2.05 0.48 0.00 -0.91 0.00 0.00 33.84 31.79 2kfs n VAL 78 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kfs h LYS 79 N 9.17 0.00 -0.00 5.55 2.10 -1.93 -1.75 116.57 129.71 2kfs h LYS 79 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2kfs h LYS 79 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2kfs h LYS 79 CO 0.94 0.28 -0.34 0.43 -2.00 0.00 0.00 179.45 178.76 2kfs n SER 80 N -3.86 0.82 -0.05 7.07 7.64 -1.26 -4.36 113.62 119.62 2kfs n SER 80 Ca -0.02 -0.65 -0.12 0.00 1.01 0.00 0.00 58.87 59.10 2kfs n SER 80 Cb 0.36 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.75 0.27 -2.04 -3.43 6.46 -1.69 -2.40 115.31 113.23 2kfs h LEU 81 Ca 0.00 -0.29 0.11 0.00 -0.12 0.00 0.00 57.88 57.58 2kfs h LEU 81 Cb 0.50 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2kfs h LEU 81 CO 0.00 0.50 0.30 1.55 -0.62 0.00 0.00 178.44 180.16 2kfs h PRO 82 N 0.03 0.00 -0.56 5.25 0.13 -1.76 -1.05 132.00 134.03 2kfs h PRO 82 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2kfs h PRO 82 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2kfs h PRO 82 CO 0.01 0.00 -0.06 0.78 -0.23 0.00 0.00 178.00 178.49 2kfs h GLY 83 N 0.00 1.12 1.10 1.56 0.00 -1.69 0.27 103.07 105.43 2kfs h GLY 83 Ca 0.18 -0.88 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2kfs h GLY 83 CO -0.00 0.80 -0.19 0.17 0.00 0.00 0.00 176.54 177.32 2kfs h LEU 84 N 0.92 1.03 -0.90 3.11 8.10 -0.93 -2.34 115.31 124.30 2kfs h LEU 84 Ca 0.15 -0.38 -0.04 0.00 0.11 0.00 0.00 57.88 57.72 2kfs h LEU 84 Cb 0.63 -0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 40.53 2kfs h LEU 84 CO 0.04 1.18 0.35 -0.07 -4.11 0.00 0.00 178.44 175.83 2kfs h LEU 85 N 0.87 1.05 -0.06 0.17 3.38 -1.23 -1.49 115.31 117.99 2kfs h LEU 85 Ca 0.12 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kfs h LEU 85 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kfs h LEU 85 CO 0.06 0.90 -0.02 0.74 0.09 0.00 0.00 178.44 180.22 2kfs h THR 86 N 1.13 0.94 -0.47 0.22 2.02 -0.57 0.19 112.91 116.37 2kfs h THR 86 Ca 0.27 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.35 2kfs h THR 86 Cb 0.16 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2kfs h THR 86 CO -0.03 0.00 -0.09 -0.29 0.37 0.00 0.00 175.52 175.49 2kfs h ILE 87 N -0.00 1.27 -0.37 3.11 -0.00 -1.23 -1.62 117.51 118.67 2kfs h ILE 87 Ca 0.03 -1.20 -0.10 0.00 -0.00 0.00 0.00 64.86 63.60 2kfs h ILE 87 Cb 0.05 1.09 -0.02 0.00 -0.00 0.00 0.00 36.82 37.94 2kfs h ILE 87 CO -0.06 0.41 -0.17 -0.07 -0.00 0.00 0.00 178.15 178.27 2kfs h LEU 88 N 0.72 0.67 -1.19 2.19 -0.00 -1.08 -2.22 115.31 114.41 2kfs h LEU 88 Ca 0.12 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 57.72 2kfs h LEU 88 Cb 0.62 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 2kfs h LEU 88 CO 0.04 0.84 -0.20 0.45 -0.00 0.00 0.00 178.44 179.57 2kfs h HIS 89 N 0.60 0.33 -0.04 1.13 3.86 -0.44 -0.60 115.15 119.99 2kfs h HIS 89 Ca 0.10 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2kfs h HIS 89 Cb 0.62 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2kfs h HIS 89 CO 0.03 0.50 -0.27 0.22 0.86 0.00 0.00 177.93 179.27 2kfs h ASP 90 N 0.28 0.07 0.20 2.45 3.58 -0.72 -1.30 116.42 120.98 2kfs h ASP 90 Ca 0.05 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kfs h ASP 90 Cb 0.53 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kfs h ASP 90 CO 0.04 0.34 -0.07 0.61 -2.88 0.00 0.00 179.24 177.28 2kfs n GLY 91 N -0.69 -0.75 1.93 -0.78 0.00 -0.71 -4.91 105.19 99.27 2kfs n GLY 91 Ca -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 1.20 0.52 3.89 -0.02 0.00 -0.49 -5.04 105.19 105.24 2kfs n GLY 92 Ca 0.17 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.69 3.56 0.53 1.61 2.02 -0.31 -5.00 117.35 117.06 2kfs s TYR 93 Ca 0.06 0.53 0.04 0.00 -0.37 0.00 0.00 57.07 57.32 2kfs s TYR 93 Cb -0.02 -1.96 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2kfs s TYR 93 CO 0.07 0.59 0.74 -0.98 -1.57 0.00 0.00 175.55 174.40 2kfs s ARG 94 N -1.92 2.52 0.21 -0.62 1.70 -1.26 -4.44 118.95 115.14 2kfs s ARG 94 Ca 0.29 -1.02 -0.09 0.00 -0.47 0.00 0.00 55.73 54.45 2kfs s ARG 94 Cb -0.13 -2.56 0.29 0.00 -0.57 0.00 0.00 34.95 31.97 2kfs s ARG 94 CO 0.18 -0.67 1.74 0.38 -1.08 0.00 0.00 175.30 175.85 2kfs h ASP 95 N 0.18 0.22 -0.79 -2.89 3.04 -1.98 -1.15 116.42 113.04 2kfs h ASP 95 Ca -0.40 0.08 -0.03 0.00 -3.24 0.00 0.00 57.03 53.44 2kfs h ASP 95 Cb 1.29 0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 39.61 2kfs h ASP 95 CO 0.48 0.13 0.38 0.74 -2.04 0.00 0.00 179.24 178.93 2kfs h THR 96 N 0.40 1.25 -0.49 1.15 2.02 -1.95 -2.27 112.91 113.02 2kfs h THR 96 Ca 0.31 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.70 2kfs h THR 96 Cb 0.39 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2kfs h THR 96 CO -0.31 0.30 -0.03 -0.33 0.37 0.00 0.00 175.52 175.51 2kfs h GLU 97 N 1.12 0.84 -0.08 6.66 5.08 -1.63 -1.55 114.58 125.02 2kfs h GLU 97 Ca 0.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kfs h GLU 97 Cb 0.12 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kfs h GLU 97 CO -0.03 0.86 0.04 0.82 -1.00 0.00 0.00 179.01 179.70 2kfs h ILE 98 N 0.77 1.10 0.00 3.13 1.08 -0.78 -2.31 117.51 120.51 2kfs h ILE 98 Ca 0.14 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2kfs h ILE 98 Cb 0.51 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2kfs h ILE 98 CO 0.03 0.09 0.00 1.15 -0.69 0.00 0.00 178.15 178.73 2kfs n MET 99 N -4.97 0.17 0.16 2.37 0.00 -0.94 -3.31 117.12 110.60 2kfs n MET 99 Ca -0.06 0.27 -0.07 0.00 0.00 0.00 0.00 57.70 57.84 2kfs n MET 99 Cb 0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 33.22 31.51 2kfs n MET 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2kfs h ARG 100 N 0.00 -0.43 -0.11 3.17 2.43 -0.68 -1.69 114.38 117.06 2kfs h ARG 100 Ca 0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 100 Cb 0.50 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2kfs h ARG 100 CO 0.00 -0.29 -0.33 0.11 -1.51 0.00 0.00 179.97 177.95 2kfs h TRP 101 N -0.45 0.25 -0.93 2.20 5.08 -1.67 -2.38 115.95 118.04 2kfs h TRP 101 Ca -0.04 -0.06 0.04 0.00 1.08 0.00 0.00 58.89 59.92 2kfs h TRP 101 Cb 0.36 -0.06 -0.06 0.00 -3.00 0.00 0.00 29.16 26.41 2kfs h TRP 101 CO 0.00 0.53 0.60 -0.07 -1.28 0.00 0.00 178.44 178.23 2kfs h LEU 102 N 0.19 1.00 -0.85 0.11 3.38 -1.54 -2.58 115.31 115.02 2kfs h LEU 102 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kfs h LEU 102 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kfs h LEU 102 CO 0.05 0.68 -0.32 0.49 0.09 0.00 0.00 178.44 179.43 2kfs n PHE 103 N -4.50 0.00 -3.00 1.13 3.01 -0.64 -3.79 117.46 109.66 2kfs n PHE 103 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.17 2kfs n PHE 103 Cb 0.10 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.42 4.91 0.15 4.37 2.01 -0.91 -4.94 115.64 118.81 2kfs s THR 104 Ca 0.23 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.26 2kfs s THR 104 Cb 0.19 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2kfs s THR 104 CO 0.51 -0.02 1.60 -2.84 -0.69 0.00 0.00 174.62 173.19 2kfs s PRO 105 N 2.65 4.20 -0.12 4.92 0.02 -1.26 -4.50 135.00 140.92 2kfs s PRO 105 Ca 0.30 2.38 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 2kfs s PRO 105 Cb -0.15 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 2kfs s PRO 105 CO 0.08 -0.64 0.98 0.34 -0.33 0.00 0.00 177.00 177.43 2kfs s ASP 106 N 1.39 7.20 0.63 2.53 -1.08 -0.11 -4.83 116.67 122.40 2kfs s ASP 106 Ca 0.71 1.48 0.38 0.00 -0.52 0.00 0.00 52.55 54.60 2kfs s ASP 106 Cb -0.44 -2.54 2.14 0.00 -1.46 0.00 0.00 42.92 40.63 2kfs s ASP 106 CO 0.32 -0.44 2.31 1.55 0.52 0.00 0.00 175.17 179.43 2kfs h PRO 107 N 7.13 0.00 -0.01 4.34 0.13 -1.92 -2.06 132.00 139.60 2kfs h PRO 107 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kfs h PRO 107 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kfs h PRO 107 CO 0.85 0.00 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.42 2kfs n SER 108 N -3.40 1.83 -4.65 1.44 3.41 -1.26 -4.74 113.62 106.25 2kfs n SER 108 Ca -0.03 -1.42 -0.35 0.00 -0.26 0.00 0.00 58.87 56.82 2kfs n SER 108 Cb 0.09 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.28 3.92 -0.18 1.04 2.96 -0.78 -4.98 118.68 119.39 2kfs s LEU 109 Ca 0.13 0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2kfs s LEU 109 Cb 0.10 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2kfs s LEU 109 CO 0.20 0.15 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.35 2kfs s THR 110 N 0.50 2.62 0.03 3.68 2.01 -1.26 -0.58 115.64 122.64 2kfs s THR 110 Ca 0.05 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.34 2kfs s THR 110 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2kfs s THR 110 CO 0.00 0.50 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 2kfs s ILE 111 N 1.15 1.37 -0.22 1.82 1.01 0.38 -4.87 121.20 121.83 2kfs s ILE 111 Ca 0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 2kfs s ILE 111 Cb -0.14 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 2kfs s ILE 111 CO -0.05 0.15 0.21 0.42 0.00 0.00 0.00 174.94 175.66 2kfs s THR 112 N -0.75 5.33 0.20 2.92 -4.23 -1.26 0.35 115.64 118.21 2kfs s THR 112 Ca 0.05 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2kfs s THR 112 Cb -0.08 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 2kfs s THR 112 CO 0.01 0.34 0.01 -2.11 -0.54 0.00 0.00 174.62 172.34 2kfs n ARG 113 N 4.17 1.37 -3.31 3.99 1.85 -1.19 -4.73 116.66 118.81 2kfs n ARG 113 Ca -0.14 -1.49 -0.38 0.00 -1.00 0.00 0.00 57.85 54.84 2kfs n ARG 113 Cb 0.52 0.47 -0.06 0.00 -1.05 0.00 0.00 32.46 32.34 2kfs n ARG 113 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kfs s ASP 114 N -2.12 6.70 0.00 2.89 2.15 -1.26 -3.42 116.67 121.62 2kfs s ASP 114 Ca 0.02 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.83 2kfs s ASP 114 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 2kfs s ASP 114 CO 0.01 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2kfs n GLY 115 N 3.22 2.06 3.28 2.66 0.00 -1.26 -4.87 105.19 110.28 2kfs n GLY 115 Ca -0.07 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 6.01 0.00 1.61 0.01 -1.26 -4.92 113.70 115.15 2kfs s SER 116 Ca 0.00 -1.80 0.26 0.00 1.31 0.00 0.00 55.95 55.73 2kfs s SER 116 Cb 0.00 -2.14 1.58 0.00 0.21 0.00 0.00 66.02 65.68 2kfs s SER 116 CO 0.00 -0.78 1.94 -2.11 0.41 0.00 0.00 173.24 172.70 2kfs n ARG 117 N 5.12 0.86 -2.16 12.44 -4.01 -1.22 -3.18 116.66 124.51 2kfs n ARG 117 Ca -0.12 0.00 -0.28 0.00 -1.04 0.00 0.00 57.85 56.41 2kfs n ARG 117 Cb 0.41 -1.48 0.03 0.00 -3.04 0.00 0.00 32.46 28.38 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kfs s ASP 118 N -1.97 5.64 -0.01 2.89 1.01 -1.26 -4.52 116.67 118.44 2kfs s ASP 118 Ca 0.40 0.96 -0.30 0.00 0.71 0.00 0.00 52.55 54.32 2kfs s ASP 118 Cb 0.18 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 42.15 2kfs s ASP 118 CO 0.31 -1.12 1.48 0.00 0.21 0.00 0.00 175.17 176.04 2kfs s ALA 119 N -3.14 3.61 -0.24 5.23 0.00 -1.26 -3.92 121.76 122.04 2kfs s ALA 119 Ca 0.55 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 2kfs s ALA 119 Cb -0.11 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 2kfs s ALA 119 CO 0.49 -1.05 0.02 0.08 0.00 0.00 0.00 175.76 175.29 2kfs s VAL 120 N 2.82 3.87 0.16 0.00 1.01 0.16 -4.91 120.40 123.50 2kfs s VAL 120 Ca 0.66 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2kfs s VAL 120 Cb -0.32 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2kfs s VAL 120 CO 0.27 0.36 0.88 -0.94 0.00 0.00 0.00 175.10 175.68 2kfs s SER 121 N 1.55 7.49 -0.50 3.32 1.04 -1.26 -0.47 113.70 124.87 2kfs s SER 121 Ca 0.06 1.77 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2kfs s SER 121 Cb -0.15 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2kfs s SER 121 CO 0.00 0.10 0.46 0.59 0.98 0.00 0.00 173.24 175.37 2kfs n ASN 122 N 2.01 -5.21 -4.82 7.02 3.02 0.25 -4.96 115.26 112.57 2kfs n ASN 122 Ca -0.02 -0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 2kfs n ASN 122 Cb 0.48 -3.47 -0.05 0.00 -0.61 0.00 0.00 39.78 36.13 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kfs s ALA 123 N -3.08 3.86 0.40 5.41 0.00 -1.17 -4.60 121.76 122.57 2kfs s ALA 123 Ca 0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 2kfs s ALA 123 Cb -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2kfs s ALA 123 CO 0.44 -0.18 0.69 1.03 0.00 0.00 0.00 175.76 177.75 2kfs s ARG 124 N -4.03 3.61 0.59 0.00 0.52 -1.26 -0.93 118.95 117.44 2kfs s ARG 124 Ca 0.45 0.13 0.29 0.00 -0.52 0.00 0.00 55.73 56.07 2kfs s ARG 124 Cb -0.01 -2.49 1.78 0.00 0.52 0.00 0.00 34.95 34.75 2kfs s ARG 124 CO 0.26 -0.01 2.25 -1.35 0.02 0.00 0.00 175.30 176.46 2kfs h PRO 125 N 0.88 0.00 -0.74 3.54 0.11 -1.79 -0.12 132.00 133.88 2kfs h PRO 125 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2kfs h PRO 125 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 125 CO 0.63 0.00 0.33 0.28 -0.21 0.00 0.00 178.00 179.03 2kfs h VAL 126 N 0.00 1.24 -0.34 3.15 2.07 -1.92 -0.77 116.25 119.68 2kfs h VAL 126 Ca 0.00 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 2kfs h VAL 126 Cb 0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2kfs h VAL 126 CO -0.00 0.30 -0.23 0.44 0.02 0.00 0.00 177.57 178.09 2kfs h ASP 127 N 1.06 0.79 -0.91 0.57 3.32 -1.38 -3.25 116.42 116.62 2kfs h ASP 127 Ca 0.25 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.89 2kfs h ASP 127 Cb 0.15 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2kfs h ASP 127 CO -0.03 1.06 0.60 0.00 -1.72 0.00 0.00 179.24 179.15 2kfs h ALA 128 N 0.76 1.17 -0.68 3.45 0.00 -0.78 -1.07 119.26 122.11 2kfs h ALA 128 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 128 Cb 0.79 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2kfs h ALA 128 CO 0.06 0.52 0.15 1.37 0.00 0.00 0.00 179.25 181.36 2kfs h LEU 129 N 1.20 1.04 -0.15 0.00 8.10 -1.20 0.27 115.31 124.57 2kfs h LEU 129 Ca 0.34 -0.24 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2kfs h LEU 129 Cb -0.09 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 39.86 2kfs h LEU 129 CO -0.09 1.01 0.00 1.41 -4.11 0.00 0.00 178.44 176.66 2kfs n HIS 130 N -4.26 0.82 0.68 0.17 8.25 -1.03 -2.61 115.22 117.23 2kfs n HIS 130 Ca 0.05 0.26 0.11 0.00 -0.26 0.00 0.00 57.72 57.87 2kfs n HIS 130 Cb 0.26 -0.92 0.28 0.00 1.12 0.00 0.00 29.99 30.73 2kfs n HIS 130 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kfs n ALA 131 N -1.76 2.46 -2.12 -1.41 0.00 -0.44 -4.81 120.51 112.43 2kfs n ALA 131 Ca 0.05 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 2kfs n ALA 131 Cb 0.37 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 0.93 -0.55 -1.19 0.00 8.25 -0.81 -4.88 115.22 116.97 2kfs n HIS 132 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 2kfs n HIS 132 Cb 0.46 -2.88 0.20 0.00 1.12 0.00 0.00 29.99 28.90 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kfs n GLN 133 N -2.36 2.02 0.02 -0.41 6.02 0.85 -4.72 117.38 118.80 2kfs n GLN 133 Ca -0.16 -2.89 0.21 0.00 -0.01 0.00 0.00 57.00 54.15 2kfs n GLN 133 Cb 0.60 -1.70 0.72 0.00 1.02 0.00 0.00 30.24 30.87 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 0.96 2.40 -0.91 -1.58 0.00 -1.76 -0.72 119.26 117.65 2kfs h ALA 134 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2kfs h ALA 134 Cb 1.30 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2kfs h ALA 134 CO 0.16 -0.68 0.59 0.00 0.00 0.00 0.00 179.25 179.32 2kfs h ARG 135 N 0.00 0.90 0.00 0.00 3.08 -1.92 0.22 114.38 116.66 2kfs h ARG 135 Ca 0.25 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 2kfs h ARG 135 Cb 1.07 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2kfs h ARG 135 CO -0.00 0.60 -0.63 0.93 -1.07 0.00 0.00 179.97 179.80 2kfs h GLU 136 N 0.93 0.00 -0.05 0.04 4.39 -1.52 -1.20 114.58 117.16 2kfs h GLU 136 Ca 0.42 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 2kfs h GLU 136 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kfs h GLU 136 CO -0.18 0.63 -0.00 0.28 -1.16 0.00 0.00 179.01 178.57 2kfs h VAL 137 N 0.00 1.27 -0.22 3.13 2.07 -1.06 0.32 116.25 121.75 2kfs h VAL 137 Ca -0.01 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2kfs h VAL 137 Cb 1.13 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2kfs h VAL 137 CO 0.08 0.22 0.11 0.58 0.02 0.00 0.00 177.57 178.58 2kfs h VAL 138 N -0.23 1.14 -0.43 2.57 2.07 -1.04 -0.07 116.25 120.27 2kfs h VAL 138 Ca 0.01 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2kfs h VAL 138 Cb 0.35 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2kfs h VAL 138 CO 0.00 0.14 0.20 -0.09 0.02 0.00 0.00 177.57 177.85 2kfs h ARG 139 N 0.23 0.39 -0.15 1.57 2.43 -1.18 0.30 114.38 117.98 2kfs h ARG 139 Ca 0.08 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 139 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2kfs h ARG 139 CO -0.01 0.26 -0.40 -0.09 -1.51 0.00 0.00 179.97 178.22 2kfs h ARG 140 N 0.41 0.33 -0.43 0.20 2.43 -0.73 -0.80 114.38 115.80 2kfs h ARG 140 Ca 0.19 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2kfs h ARG 140 Cb 0.12 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2kfs h ARG 140 CO -0.15 0.68 0.08 0.00 -1.51 0.00 0.00 179.97 179.08 2kfs h ALA 141 N 1.30 0.56 -0.60 2.80 0.00 -0.31 0.35 119.26 123.36 2kfs h ALA 141 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2kfs h ALA 141 Cb 0.83 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2kfs h ALA 141 CO 0.07 0.27 0.34 1.96 0.00 0.00 0.00 179.25 181.89 2kfs h GLN 142 N 0.56 0.64 -0.31 0.00 1.08 -0.50 -0.04 115.11 116.54 2kfs h GLN 142 Ca 0.13 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2kfs h GLN 142 Cb 0.35 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2kfs h GLN 142 CO 0.01 0.42 -0.19 0.00 -0.95 0.00 0.00 178.83 178.12 2kfs h ALA 143 N 1.30 1.10 -0.20 3.87 0.00 -0.84 0.12 119.26 124.60 2kfs h ALA 143 Ca 0.26 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2kfs h ALA 143 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kfs h ALA 143 CO -0.14 0.56 -0.64 1.98 0.00 0.00 0.00 179.25 181.00 2kfs h MET 144 N 0.51 0.73 0.05 0.00 1.85 -0.47 -3.32 114.93 114.28 2kfs h MET 144 Ca 0.08 -0.52 -0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2kfs h MET 144 Cb 0.62 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.73 2kfs h MET 144 CO 0.04 1.14 -0.02 0.00 -0.40 0.00 0.00 176.91 177.67 2kfs h ALA 145 N 0.73 -0.06 -0.02 0.39 0.00 -0.75 -3.51 119.26 116.03 2kfs h ALA 145 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kfs h ALA 145 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kfs h ALA 145 CO 0.13 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.88