#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 3.25 0.00 0.03 0.04 -1.26 -4.19 135.00 132.87 2kfs s PRO 2 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2kfs s PRO 2 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kfs s PRO 2 CO 0.00 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.48 2kfs n GLY 3 N 5.39 -0.43 3.73 0.56 0.00 -1.26 -5.01 105.19 108.18 2kfs n GLY 3 Ca 0.20 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.62 4.48 -0.33 1.61 3.00 -1.26 -4.23 118.95 121.60 2kfs s ARG 4 Ca 0.00 1.85 -0.09 0.00 0.00 0.00 0.00 55.73 57.49 2kfs s ARG 4 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 34.95 31.70 2kfs s ARG 4 CO 0.00 -0.12 0.35 0.00 0.00 0.00 0.00 175.30 175.53 2kfs n ALA 5 N 2.81 -3.15 -1.77 2.13 0.00 -1.26 -4.99 120.51 114.28 2kfs n ALA 5 Ca 0.05 0.82 -0.38 0.00 0.00 0.00 0.00 53.44 53.93 2kfs n ALA 5 Cb 0.45 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 2kfs n ALA 5 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kfs s PRO 6 N -2.05 4.38 0.00 0.00 0.02 -1.26 -4.86 135.00 131.23 2kfs s PRO 6 Ca 0.14 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2kfs s PRO 6 Cb -0.04 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.67 2kfs s PRO 6 CO 0.66 0.03 0.00 0.41 -0.33 0.00 0.00 177.00 177.76 2kfs n GLY 7 N 0.70 2.02 0.19 0.52 0.00 -1.26 -4.91 105.19 102.44 2kfs n GLY 7 Ca 0.02 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.04 2kfs n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfs h SER 8 N 0.00 0.00 -5.00 1.61 4.64 -2.02 -3.45 113.55 109.33 2kfs h SER 8 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2kfs h SER 8 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2kfs h SER 8 CO 0.00 0.34 0.17 -0.89 -0.87 0.00 0.00 176.83 175.58 2kfs s THR 9 N -3.37 0.01 0.60 2.95 2.01 -1.26 -5.15 115.64 111.42 2kfs s THR 9 Ca 0.02 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2kfs s THR 9 Cb 0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2kfs s THR 9 CO 0.69 -0.02 1.21 -0.76 -0.69 0.00 0.00 174.62 175.04 2kfs s LEU 10 N -2.05 3.64 0.27 4.42 1.43 -1.26 -4.97 118.68 120.17 2kfs s LEU 10 Ca -0.04 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.15 2kfs s LEU 10 Cb -0.01 -4.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.52 2kfs s LEU 10 CO -0.03 -1.63 0.96 0.00 0.23 0.00 0.00 176.35 175.88 2kfs s ALA 11 N -1.63 3.30 -0.18 4.21 0.00 0.52 -5.00 121.76 122.98 2kfs s ALA 11 Ca 0.77 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2kfs s ALA 11 Cb -0.30 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.69 2kfs s ALA 11 CO 0.34 0.15 0.21 -0.98 0.00 0.00 0.00 175.76 175.48 2kfs s ARG 12 N -1.50 0.16 -0.12 0.00 1.70 -1.26 -3.67 118.95 114.27 2kfs s ARG 12 Ca 0.44 0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 2kfs s ARG 12 Cb -0.24 -1.04 0.02 0.00 -0.57 0.00 0.00 34.95 33.12 2kfs s ARG 12 CO 0.31 -0.59 -0.11 0.08 -1.08 0.00 0.00 175.30 173.91 2kfs s VAL 13 N 2.32 1.26 0.20 4.99 1.01 -1.26 -5.01 120.40 123.91 2kfs s VAL 13 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2kfs s VAL 13 Cb -0.15 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 2kfs s VAL 13 CO -0.11 0.40 1.48 1.23 0.00 0.00 0.00 175.10 178.10 2kfs h GLY 14 N 7.92 0.25 -7.76 4.51 0.00 -2.00 -3.36 103.07 102.64 2kfs h GLY 14 Ca -0.33 -0.36 -0.77 0.00 0.00 0.00 0.00 47.33 45.87 2kfs h GLY 14 CO 0.46 0.32 0.05 -0.56 0.00 0.00 0.00 176.54 176.81 2kfs s SER 15 N -6.91 6.55 -0.03 0.19 0.01 -1.26 -4.49 113.70 107.76 2kfs s SER 15 Ca -0.04 -2.82 -0.30 0.00 1.31 0.00 0.00 55.95 54.11 2kfs s SER 15 Cb 0.11 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 64.14 2kfs s SER 15 CO 0.81 -0.51 1.57 -0.63 0.41 0.00 0.00 173.24 174.90 2kfs s ILE 16 N -0.03 3.57 0.59 1.44 1.09 -1.26 -4.99 121.20 121.61 2kfs s ILE 16 Ca 0.19 0.81 -0.15 0.00 -1.10 0.00 0.00 60.65 60.40 2kfs s ILE 16 Cb -0.12 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 2kfs s ILE 16 CO -0.08 -0.05 1.04 -2.16 -0.10 0.00 0.00 174.94 173.60 2kfs s PRO 17 N 3.43 3.42 -0.13 2.79 0.04 -1.26 -4.98 135.00 138.30 2kfs s PRO 17 Ca 0.70 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2kfs s PRO 17 Cb -0.33 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2kfs s PRO 17 CO 0.28 -0.72 -0.03 0.00 0.04 0.00 0.00 177.00 176.57 2kfs s ALA 18 N -2.54 3.05 0.00 8.56 0.00 -1.26 -4.20 121.76 125.36 2kfs s ALA 18 Ca 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2kfs s ALA 18 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2kfs s ALA 18 CO 0.37 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.87 2kfs n GLY 19 N 3.12 0.84 3.04 0.00 0.00 -1.26 -4.67 105.19 106.26 2kfs n GLY 19 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 0.29 2.67 -0.00 1.61 2.15 -1.26 -3.64 116.67 118.49 2kfs s ASP 20 Ca 0.00 -0.49 -0.30 0.00 0.43 0.00 0.00 52.55 52.20 2kfs s ASP 20 Cb 0.00 -1.18 -0.08 0.00 -0.30 0.00 0.00 42.92 41.36 2kfs s ASP 20 CO 0.00 -0.03 1.93 1.51 -0.17 0.00 0.00 175.17 178.42 2kfs s ASP 21 N 1.32 6.41 0.32 -0.34 -4.77 -1.20 -4.61 116.67 113.80 2kfs s ASP 21 Ca 0.02 2.53 0.17 0.00 -3.30 0.00 0.00 52.55 51.97 2kfs s ASP 21 Cb -0.13 -2.53 0.31 0.00 -1.09 0.00 0.00 42.92 39.48 2kfs s ASP 21 CO -0.08 -1.11 1.56 0.58 0.70 0.00 0.00 175.17 176.82 2kfs h VAL 22 N 5.75 0.85 -3.86 2.11 2.07 -1.92 -3.44 116.25 117.81 2kfs h VAL 22 Ca -0.47 -1.95 -0.47 0.00 0.82 0.00 0.00 66.70 64.63 2kfs h VAL 22 Cb 1.23 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 2kfs h VAL 22 CO 0.95 0.44 0.23 -1.48 0.02 0.00 0.00 177.57 177.73 2kfs s LEU 23 N -6.65 4.09 0.47 2.57 0.05 -1.26 -5.02 118.68 112.93 2kfs s LEU 23 Ca 0.03 1.54 -0.23 0.00 0.05 0.00 0.00 54.13 55.52 2kfs s LEU 23 Cb 0.09 -4.19 -0.07 0.00 -2.05 0.00 0.00 46.19 39.97 2kfs s LEU 23 CO 0.72 -0.22 1.28 -0.62 -0.55 0.00 0.00 176.35 176.96 2kfs s ASP 24 N -2.06 5.91 0.57 1.48 -1.08 -1.26 -4.91 116.67 115.32 2kfs s ASP 24 Ca 0.55 2.58 0.29 0.00 -0.52 0.00 0.00 52.55 55.45 2kfs s ASP 24 Cb -0.12 -2.63 1.47 0.00 -1.46 0.00 0.00 42.92 40.19 2kfs s ASP 24 CO 0.17 -1.12 1.91 -0.65 0.52 0.00 0.00 175.17 176.00 2kfs h PRO 25 N 2.04 0.00 0.00 4.34 0.11 -1.95 -1.14 132.00 135.41 2kfs h PRO 25 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2kfs h PRO 25 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2kfs h PRO 25 CO 0.60 0.00 -0.25 0.22 -0.21 0.00 0.00 178.00 178.36 2kfs h ASP 26 N 0.00 0.00 -2.75 -2.05 3.58 -2.04 -3.44 116.42 109.72 2kfs h ASP 26 Ca 0.25 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.17 2kfs h ASP 26 Cb 1.24 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.32 2kfs h ASP 26 CO -0.00 0.25 0.95 -1.61 -2.88 0.00 0.00 179.24 175.94 2kfs s GLU 27 N -3.41 4.21 -0.37 0.28 0.41 -0.43 -4.86 118.70 114.52 2kfs s GLU 27 Ca 0.02 2.31 -0.29 0.00 -0.41 0.00 0.00 54.97 56.60 2kfs s GLU 27 Cb 0.09 -3.46 -0.08 0.00 -1.78 0.00 0.00 34.13 28.89 2kfs s GLU 27 CO 0.66 -0.68 2.30 -2.30 -0.49 0.00 0.00 175.26 174.76 2kfs n PRO 28 N 5.07 1.37 -3.56 0.39 -0.02 -1.26 -4.93 135.00 132.05 2kfs n PRO 28 Ca 0.15 0.29 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 2kfs n PRO 28 Cb 0.40 -3.02 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 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 9.29 2.46 0.28 3.45 -4.23 -1.26 -3.82 115.64 121.81 2kfs s THR 29 Ca 1.04 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2kfs s THR 29 Cb -0.47 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 2kfs s THR 29 CO 0.37 0.00 0.12 -0.31 -0.54 0.00 0.00 174.62 174.26 2kfs s TYR 30 N -2.53 2.86 0.22 3.99 2.02 0.89 -4.84 117.35 119.95 2kfs s TYR 30 Ca 0.47 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 2kfs s TYR 30 Cb -0.03 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2kfs s TYR 30 CO 0.28 0.49 0.02 -0.51 -1.57 0.00 0.00 175.55 174.26 2kfs s ASP 31 N -3.80 1.48 0.15 2.29 1.11 -1.26 -0.59 116.67 116.05 2kfs s ASP 31 Ca 0.34 -1.24 -0.20 0.00 0.18 0.00 0.00 52.55 51.63 2kfs s ASP 31 Cb -0.06 0.08 0.04 0.00 1.07 0.00 0.00 42.92 44.05 2kfs s ASP 31 CO 0.23 -0.58 1.66 -0.07 1.18 0.00 0.00 175.17 177.59 2kfs h LEU 32 N 2.52 -0.47 -1.04 1.23 3.38 -1.96 0.91 115.31 119.89 2kfs h LEU 32 Ca -0.38 0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2kfs h LEU 32 Cb 1.22 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 2kfs h LEU 32 CO 0.63 -0.17 0.64 1.55 0.09 0.00 0.00 178.44 181.18 2kfs h PRO 33 N -0.10 1.13 -0.22 1.13 0.13 -1.97 -0.87 132.00 131.24 2kfs h PRO 33 Ca 0.15 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 2kfs h PRO 33 Cb 0.33 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2kfs h PRO 33 CO -0.35 0.75 -0.47 0.00 -0.23 0.00 0.00 178.00 177.69 2kfs h ARG 34 N 1.17 0.57 -0.24 0.86 -0.00 -1.63 0.71 114.38 115.82 2kfs h ARG 34 Ca 0.42 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.98 59.41 2kfs h ARG 34 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2kfs h ARG 34 CO -0.16 0.93 -0.51 0.28 0.00 0.00 0.00 179.97 180.51 2kfs h VAL 35 N 0.46 1.30 -0.66 2.04 2.07 -0.66 -1.02 116.25 119.78 2kfs h VAL 35 Ca 0.03 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.86 2kfs h VAL 35 Cb 1.00 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 2kfs h VAL 35 CO 0.09 0.55 0.43 0.00 0.02 0.00 0.00 177.57 178.66 2kfs h ALA 36 N 0.91 1.65 -0.30 1.67 0.00 -0.80 -1.16 119.26 121.23 2kfs h ALA 36 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kfs h ALA 36 Cb 1.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kfs h ALA 36 CO 0.10 0.28 0.03 0.93 0.00 0.00 0.00 179.25 180.59 2kfs h GLU 37 N 0.77 0.50 0.07 0.00 4.39 -0.45 0.13 114.58 119.98 2kfs h GLU 37 Ca 0.26 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kfs h GLU 37 Cb 0.09 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2kfs h GLU 37 CO -0.07 0.62 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.29 2kfs h LEU 38 N 0.31 -0.07 0.00 1.33 3.38 -0.21 -3.13 115.31 116.91 2kfs h LEU 38 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kfs h LEU 38 Cb 0.37 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kfs h LEU 38 CO 0.01 0.08 -0.62 -0.07 0.09 0.00 0.00 178.44 177.93 2kfs h LEU 39 N -0.22 0.00 0.82 1.67 3.38 -1.34 -3.47 115.31 116.14 2kfs h LEU 39 Ca -0.01 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 2kfs h LEU 39 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kfs h LEU 39 CO 0.01 0.09 -0.27 0.61 0.09 0.00 0.00 178.44 178.97 2kfs n GLY 40 N 1.32 0.03 3.50 0.83 0.00 -0.03 -5.03 105.19 105.80 2kfs n GLY 40 Ca 0.03 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.67 2.02 0.70 1.61 -7.23 -0.80 -5.03 120.40 109.00 2kfs s VAL 41 Ca 0.07 -2.19 -0.09 0.00 -1.81 0.00 0.00 61.98 57.97 2kfs s VAL 41 Cb -0.03 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.40 2kfs s VAL 41 CO 0.09 -0.25 1.05 -2.16 -0.31 0.00 0.00 175.10 173.51 2kfs s PRO 42 N -3.65 2.53 0.44 4.82 0.04 -1.26 -4.39 135.00 133.52 2kfs s PRO 42 Ca 0.31 0.10 0.11 0.00 0.04 0.00 0.00 61.00 61.56 2kfs s PRO 42 Cb 0.03 -2.10 0.99 0.00 0.04 0.00 0.00 34.50 33.45 2kfs s PRO 42 CO 0.15 -1.12 2.06 0.28 0.04 0.00 0.00 177.00 178.40 2kfs h VAL 43 N -0.61 1.03 -0.69 -0.36 2.07 -1.96 -1.57 116.25 114.16 2kfs h VAL 43 Ca -0.45 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kfs h VAL 43 Cb 1.29 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 2kfs h VAL 43 CO 0.63 0.07 0.41 0.77 0.02 0.00 0.00 177.57 179.47 2kfs h SER 44 N 0.40 0.64 0.15 0.57 4.64 -1.99 0.10 113.55 118.06 2kfs h SER 44 Ca 0.15 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2kfs h SER 44 Cb 0.12 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2kfs h SER 44 CO -0.04 0.43 -0.42 0.11 -0.87 0.00 0.00 176.83 176.04 2kfs h LYS 45 N 0.77 0.35 -0.54 4.77 1.57 -1.67 -2.17 116.57 119.65 2kfs h LYS 45 Ca 0.30 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2kfs h LYS 45 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kfs h LYS 45 CO -0.15 0.71 0.25 0.28 -0.57 0.00 0.00 179.45 179.97 2kfs h VAL 46 N 0.29 1.20 -0.63 0.50 2.07 -0.89 -1.41 116.25 117.38 2kfs h VAL 46 Ca 0.02 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 46 Cb 0.86 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2kfs h VAL 46 CO 0.07 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.27 2kfs h ALA 47 N 1.09 1.49 -0.43 1.67 0.00 -0.62 -1.68 119.26 120.77 2kfs h ALA 47 Ca 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2kfs h ALA 47 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kfs h ALA 47 CO -0.02 0.45 -0.04 1.96 0.00 0.00 0.00 179.25 181.60 2kfs h GLN 48 N 0.86 0.73 -0.54 0.00 4.20 -0.72 -1.04 115.11 118.60 2kfs h GLN 48 Ca 0.23 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2kfs h GLN 48 Cb -0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2kfs h GLN 48 CO -0.04 0.77 0.21 1.96 -0.67 0.00 0.00 178.83 181.06 2kfs h GLN 49 N 0.68 0.82 -0.30 1.46 1.08 -0.38 -2.23 115.11 116.24 2kfs h GLN 49 Ca 0.13 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2kfs h GLN 49 Cb 0.48 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2kfs h GLN 49 CO 0.02 0.71 0.16 -0.07 -0.95 0.00 0.00 178.83 178.71 2kfs h LEU 50 N 0.74 0.38 -2.37 1.46 4.07 -1.10 0.54 115.31 119.04 2kfs h LEU 50 Ca 0.18 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2kfs h LEU 50 Cb 0.20 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 2kfs h LEU 50 CO -0.01 0.37 -0.01 0.03 -1.08 0.00 0.00 178.44 177.73 2kfs h ARG 51 N 0.37 0.00 -0.20 1.13 3.08 -0.82 -1.82 114.38 116.12 2kfs h ARG 51 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 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 0.01 0.00 -0.85 -1.07 0.00 0.00 179.97 178.05 2kfs n GLU 52 N -3.90 2.14 -2.94 0.04 0.28 -0.87 -4.81 120.64 110.58 2kfs n GLU 52 Ca -0.03 -1.97 -0.11 0.00 -0.16 0.00 0.00 57.16 54.89 2kfs n GLU 52 Cb 0.10 -1.43 0.03 0.00 1.43 0.00 0.00 31.44 31.57 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfs n GLY 53 N 1.24 0.20 0.09 -1.84 0.00 -0.68 -4.92 105.19 99.27 2kfs n GLY 53 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.75 0.38 -3.47 1.61 -0.00 0.15 -4.49 115.22 105.65 2kfs n HIS 54 Ca -0.01 0.13 -0.14 0.00 -0.00 0.00 0.00 57.72 57.70 2kfs n HIS 54 Cb 0.54 -1.03 -0.04 0.00 -0.00 0.00 0.00 29.99 29.46 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 -5.62 -0.57 0.07 0.27 2.96 -1.19 -3.95 118.68 110.66 2kfs s LEU 55 Ca -0.08 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2kfs s LEU 55 Cb 0.07 2.54 -0.03 0.00 0.50 0.00 0.00 46.19 49.28 2kfs s LEU 55 CO 0.83 -0.82 -0.10 0.54 -1.32 0.00 0.00 176.35 175.48 2kfs s VAL 56 N -2.73 0.84 0.30 1.68 0.11 -1.26 -3.47 120.40 115.87 2kfs s VAL 56 Ca -0.04 -1.37 0.11 0.00 -2.93 0.00 0.00 61.98 57.75 2kfs s VAL 56 Cb -0.01 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 2kfs s VAL 56 CO -0.04 -0.42 -0.13 0.00 -3.33 0.00 0.00 175.10 171.18 2kfs s ALA 57 N -1.82 2.91 0.29 1.54 0.00 -1.26 -4.77 121.76 118.65 2kfs s ALA 57 Ca -0.01 -1.92 0.06 0.00 0.00 0.00 0.00 51.96 50.09 2kfs s ALA 57 Cb -0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 2kfs s ALA 57 CO 0.01 0.20 -0.03 0.14 0.00 0.00 0.00 175.76 176.08 2kfs s VAL 58 N -2.51 1.50 -0.08 0.00 -7.23 0.67 -4.45 120.40 108.29 2kfs s VAL 58 Ca 0.31 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 2kfs s VAL 58 Cb -0.03 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2kfs s VAL 58 CO 0.16 -0.23 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.94 2kfs s ARG 59 N -3.77 2.81 -0.13 4.82 6.06 -1.24 -1.12 118.95 126.37 2kfs s ARG 59 Ca 0.31 -0.78 -0.06 0.00 -2.50 0.00 0.00 55.73 52.70 2kfs s ARG 59 Cb 0.05 -2.37 0.06 0.00 0.06 0.00 0.00 34.95 32.75 2kfs s ARG 59 CO 0.12 0.39 0.30 -0.98 -2.50 0.00 0.00 175.30 172.64 2kfs s ARG 60 N -0.15 0.24 -2.09 5.12 1.70 -0.44 -3.25 118.95 120.08 2kfs s ARG 60 Ca -0.02 0.70 0.00 0.00 -0.47 0.00 0.00 55.73 55.94 2kfs s ARG 60 Cb -0.14 -0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.21 2kfs s ARG 60 CO 0.04 -0.21 0.00 0.00 -1.08 0.00 0.00 175.30 174.05 2kfs n ALA 61 N 4.69 -0.40 0.00 7.88 0.00 -1.26 -0.35 120.51 131.07 2kfs n ALA 61 Ca -0.17 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kfs n ALA 61 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.59 1.97 3.87 0.00 0.00 -1.26 -5.05 105.19 104.13 2kfs n GLY 62 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -2.27 2.29 -0.27 -0.02 0.00 0.53 -5.04 107.32 102.54 2kfs s GLY 63 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 2kfs s GLY 63 CO 0.00 -0.10 0.28 0.14 0.00 0.00 0.00 173.10 173.42 2kfs s VAL 64 N -1.83 5.25 0.12 1.40 1.01 -1.26 -1.33 120.40 123.75 2kfs s VAL 64 Ca 0.48 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2kfs s VAL 64 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2kfs s VAL 64 CO 0.21 0.21 -0.06 0.68 0.00 0.00 0.00 175.10 176.15 2kfs s VAL 65 N 1.84 0.73 -0.06 2.92 -7.23 -0.27 -3.69 120.40 114.64 2kfs s VAL 65 Ca 0.11 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2kfs s VAL 65 Cb -0.16 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.02 2kfs s VAL 65 CO 0.10 -0.79 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.38 2kfs s ILE 66 N -3.61 0.92 0.19 -0.62 1.01 0.24 -0.24 121.20 119.10 2kfs s ILE 66 Ca 0.14 -0.34 -0.33 0.00 0.00 0.00 0.00 60.65 60.12 2kfs s ILE 66 Cb 0.05 -0.88 -0.14 0.00 0.01 0.00 0.00 42.46 41.51 2kfs s ILE 66 CO -0.03 0.31 1.53 -2.65 0.00 0.00 0.00 174.94 174.10 2kfs n PRO 67 N 3.98 2.14 0.25 2.79 -0.02 -1.26 -0.08 135.00 142.81 2kfs n PRO 67 Ca -0.23 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 2kfs n PRO 67 Cb 0.51 -2.51 0.67 0.00 -0.02 0.00 0.00 33.50 32.16 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 5.37 0.00 0.00 -0.52 4.15 -1.89 -1.78 115.11 120.45 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 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kfs h GLN 68 CO 0.85 0.14 0.00 1.33 -1.93 0.00 0.00 178.83 179.22 2kfs n VAL 69 N -3.71 0.20 1.12 2.39 0.24 -1.26 -1.22 118.33 116.08 2kfs n VAL 69 Ca -0.02 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 2kfs n VAL 69 Cb 0.26 -0.77 0.44 0.00 -1.47 0.00 0.00 33.84 32.30 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 -1.11 0.00 -4.33 6.34 3.01 -0.67 -4.79 117.46 115.91 2kfs n PHE 70 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 2kfs n PHE 70 Cb 0.09 -0.28 -0.10 0.00 -0.01 0.00 0.00 39.48 39.19 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 -2.82 2.54 0.86 1.38 0.40 -0.36 -2.48 117.98 117.50 2kfs s PHE 71 Ca 0.17 -0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 56.12 2kfs s PHE 71 Cb 0.19 -1.22 0.13 0.00 0.51 0.00 0.00 43.02 42.63 2kfs s PHE 71 CO 0.59 0.54 1.22 0.95 0.70 0.00 0.00 175.22 179.22 2kfs s THR 72 N -1.86 2.03 0.66 0.64 -4.23 0.19 -4.82 115.64 108.26 2kfs s THR 72 Ca 0.25 -0.04 0.40 0.00 -1.18 0.00 0.00 61.69 61.12 2kfs s THR 72 Cb -0.08 -2.98 0.41 0.00 1.34 0.00 0.00 72.50 71.18 2kfs s THR 72 CO 0.15 0.00 2.25 -1.13 -0.54 0.00 0.00 174.62 175.35 2kfs h ASN 73 N -1.25 0.00 0.13 3.99 -1.24 -1.92 0.20 115.58 115.48 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 1.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.34 2kfs h ASN 73 CO 0.53 0.00 -0.11 -0.24 -1.29 0.00 0.00 177.43 176.31 2kfs n SER 74 N -3.11 1.13 0.00 1.15 2.88 -1.26 -4.92 113.62 109.48 2kfs n SER 74 Ca -0.03 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2kfs n SER 74 Cb 0.16 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 1.24 0.70 3.52 0.46 0.00 0.69 -5.06 105.19 106.74 2kfs n GLY 75 Ca 0.16 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2kfs n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfs s GLN 76 N -0.78 2.47 0.48 1.61 2.00 -1.25 -4.81 119.66 119.38 2kfs s GLN 76 Ca 0.00 -0.73 -0.24 0.00 -2.00 0.00 0.00 55.36 52.39 2kfs s GLN 76 Cb 0.00 -2.41 -0.07 0.00 0.80 0.00 0.00 33.01 31.33 2kfs s GLN 76 CO 0.00 0.61 1.37 0.54 -0.50 0.00 0.00 175.29 177.31 2kfs s VAL 77 N -0.85 2.22 0.19 1.34 0.11 -1.26 0.56 120.40 122.70 2kfs s VAL 77 Ca 0.14 0.18 -0.31 0.00 -2.93 0.00 0.00 61.98 59.06 2kfs s VAL 77 Cb -0.11 -3.10 -0.10 0.00 -1.53 0.00 0.00 36.38 31.54 2kfs s VAL 77 CO 0.03 0.02 1.49 -0.69 -3.33 0.00 0.00 175.10 172.62 2kfs s VAL 78 N -1.27 2.74 0.38 2.04 1.01 -1.04 -4.71 120.40 119.56 2kfs s VAL 78 Ca 0.64 0.56 0.06 0.00 0.00 0.00 0.00 61.98 63.25 2kfs s VAL 78 Cb -0.41 -3.36 0.22 0.00 0.00 0.00 0.00 36.38 32.83 2kfs s VAL 78 CO 0.51 0.06 1.98 0.07 0.00 0.00 0.00 175.10 177.72 2kfs h LYS 79 N 6.16 0.51 -0.00 2.72 2.10 -1.94 -1.94 116.57 124.18 2kfs h LYS 79 Ca -0.44 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2kfs h LYS 79 Cb 1.21 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2kfs h LYS 79 CO 0.86 0.43 -0.19 0.43 -2.00 0.00 0.00 179.45 178.97 2kfs n SER 80 N -4.38 0.54 -0.01 7.07 7.64 -1.26 -4.27 113.62 118.95 2kfs n SER 80 Ca 0.02 -0.46 -0.12 0.00 1.01 0.00 0.00 58.87 59.31 2kfs n SER 80 Cb 0.15 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.54 0.09 -1.62 -3.43 6.46 -1.72 -2.75 115.31 112.88 2kfs h LEU 81 Ca 0.00 -0.31 0.16 0.00 -0.12 0.00 0.00 57.88 57.61 2kfs h LEU 81 Cb 0.43 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 2kfs h LEU 81 CO 0.00 0.38 0.51 -0.65 -0.62 0.00 0.00 178.44 178.06 2kfs h PRO 82 N -0.21 0.35 -0.45 5.25 0.11 -1.74 -1.56 132.00 133.75 2kfs h PRO 82 Ca 0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 2kfs h PRO 82 Cb 0.34 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 2kfs h PRO 82 CO 0.00 0.23 0.09 0.78 -0.21 0.00 0.00 178.00 178.90 2kfs h GLY 83 N 0.36 0.80 1.08 -0.55 0.00 -1.76 -1.89 103.07 101.12 2kfs h GLY 83 Ca 0.38 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2kfs h GLY 83 CO -0.11 0.48 -0.12 0.17 0.00 0.00 0.00 176.54 176.96 2kfs h LEU 84 N 0.61 1.00 -1.34 3.11 8.10 -1.02 -2.58 115.31 123.19 2kfs h LEU 84 Ca 0.14 -0.36 -0.03 0.00 0.11 0.00 0.00 57.88 57.74 2kfs h LEU 84 Cb 0.36 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.29 2kfs h LEU 84 CO 0.01 1.12 0.12 -0.07 -4.11 0.00 0.00 178.44 175.51 2kfs h LEU 85 N 0.86 0.52 -0.17 0.17 3.38 -1.28 -2.39 115.31 116.39 2kfs h LEU 85 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 85 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2kfs h LEU 85 CO 0.05 0.50 0.08 0.74 0.09 0.00 0.00 178.44 179.90 2kfs h THR 86 N 0.56 1.13 -0.45 0.22 2.02 -0.94 0.53 112.91 115.98 2kfs h THR 86 Ca 0.13 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 2kfs h THR 86 Cb 0.17 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2kfs h THR 86 CO -0.01 0.12 -0.18 -0.29 0.37 0.00 0.00 175.52 175.53 2kfs h ILE 87 N 0.14 1.27 -0.30 3.11 -0.00 -1.34 -2.18 117.51 118.22 2kfs h ILE 87 Ca 0.06 -1.33 -0.09 0.00 -0.00 0.00 0.00 64.86 63.50 2kfs h ILE 87 Cb 0.12 1.18 -0.02 0.00 -0.00 0.00 0.00 36.82 38.10 2kfs h ILE 87 CO -0.01 0.45 -0.19 -0.07 -0.00 0.00 0.00 178.15 178.34 2kfs h LEU 88 N 0.75 0.53 -0.71 2.19 -0.00 -1.35 -2.02 115.31 114.70 2kfs h LEU 88 Ca 0.10 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2kfs h LEU 88 Cb 0.75 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.22 2kfs h LEU 88 CO 0.06 0.74 0.45 -0.74 -0.00 0.00 0.00 178.44 178.94 2kfs h HIS 89 N 0.49 0.84 -0.07 1.13 2.76 -0.69 -0.56 115.15 119.04 2kfs h HIS 89 Ca 0.08 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2kfs h HIS 89 Cb 0.61 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 2kfs h HIS 89 CO 0.02 0.48 -0.21 -0.44 -1.30 0.00 0.00 177.93 176.48 2kfs h ASP 90 N 0.88 0.11 0.69 3.26 3.32 -0.97 -2.36 116.42 121.36 2kfs h ASP 90 Ca 0.28 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2kfs h ASP 90 Cb 0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2kfs h ASP 90 CO -0.11 0.34 -0.22 0.61 -1.72 0.00 0.00 179.24 178.14 2kfs n GLY 91 N -0.79 -1.30 1.70 2.75 0.00 -0.51 -0.36 105.19 106.68 2kfs n GLY 91 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.46 0.65 3.62 -0.02 0.00 -0.46 -4.89 105.19 105.55 2kfs n GLY 92 Ca 0.08 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.33 3.25 0.93 1.61 2.02 -0.34 -5.03 117.35 117.46 2kfs s TYR 93 Ca 0.00 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.64 2kfs s TYR 93 Cb 0.00 -2.21 0.15 0.00 -0.40 0.00 0.00 41.96 39.50 2kfs s TYR 93 CO 0.00 0.02 1.16 -0.98 -1.57 0.00 0.00 175.55 174.18 2kfs s ARG 94 N 0.96 0.94 0.28 -0.62 1.70 -1.26 -4.47 118.95 116.48 2kfs s ARG 94 Ca 0.06 0.15 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 2kfs s ARG 94 Cb -0.14 -1.83 0.54 0.00 -0.57 0.00 0.00 34.95 32.96 2kfs s ARG 94 CO 0.03 -2.31 1.82 0.38 -1.08 0.00 0.00 175.30 174.15 2kfs h ASP 95 N -1.57 0.84 -0.70 -2.89 2.03 -1.92 -0.63 116.42 111.59 2kfs h ASP 95 Ca -0.49 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 55.86 2kfs h ASP 95 Cb 1.32 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.67 2kfs h ASP 95 CO 0.57 0.43 0.39 0.74 -1.03 0.00 0.00 179.24 180.34 2kfs h THR 96 N 0.91 1.22 -0.36 1.15 2.02 -1.90 -2.16 112.91 113.79 2kfs h THR 96 Ca 0.49 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 2kfs h THR 96 Cb 0.52 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2kfs h THR 96 CO -0.28 0.24 -0.20 -0.33 0.37 0.00 0.00 175.52 175.32 2kfs h GLU 97 N 0.96 0.70 -0.20 6.66 4.39 -1.48 -0.43 114.58 125.18 2kfs h GLU 97 Ca 0.25 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kfs h GLU 97 Cb 0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2kfs h GLU 97 CO -0.04 0.85 0.12 0.82 -1.16 0.00 0.00 179.01 179.59 2kfs h ILE 98 N 0.62 1.09 0.00 3.13 1.08 -0.88 -1.61 117.51 120.93 2kfs h ILE 98 Ca 0.09 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 2kfs h ILE 98 Cb 0.68 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2kfs h ILE 98 CO 0.05 0.08 -0.30 0.24 -0.69 0.00 0.00 178.15 177.53 2kfs h MET 99 N 0.23 0.00 0.44 2.37 2.86 -1.24 -2.50 114.93 117.10 2kfs h MET 99 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2kfs h MET 99 Cb 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2kfs h MET 99 CO -0.01 0.30 -0.29 -0.09 1.06 0.00 0.00 176.91 177.87 2kfs h ARG 100 N 0.00 -0.67 -0.11 1.72 1.12 -0.05 0.79 114.38 117.18 2kfs h ARG 100 Ca -0.00 0.05 -0.11 0.00 -1.11 0.00 0.00 59.98 58.80 2kfs h ARG 100 Cb 0.82 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 2kfs h ARG 100 CO 0.04 -0.45 -0.44 0.11 -3.11 0.00 0.00 179.97 176.12 2kfs h TRP 101 N -0.70 0.32 -0.87 2.20 5.08 -1.60 -2.86 115.95 117.52 2kfs h TRP 101 Ca -0.06 -0.09 -0.01 0.00 1.08 0.00 0.00 58.89 59.81 2kfs h TRP 101 Cb 0.56 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 26.61 2kfs h TRP 101 CO -0.04 0.66 0.50 -0.07 -1.28 0.00 0.00 178.44 178.22 2kfs h LEU 102 N 0.22 1.07 -1.12 0.11 3.38 -1.27 -2.64 115.31 115.06 2kfs h LEU 102 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kfs h LEU 102 Cb 0.87 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 102 CO 0.07 0.84 -0.08 0.49 0.09 0.00 0.00 178.44 179.85 2kfs n PHE 103 N -4.39 0.00 -3.09 1.13 3.01 0.26 -3.23 117.46 111.14 2kfs n PHE 103 Ca 0.09 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.15 2kfs n PHE 103 Cb 0.08 -0.02 -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 -2.12 5.04 0.18 4.37 2.01 -1.00 -5.00 115.64 119.12 2kfs s THR 104 Ca 0.32 1.31 -0.32 0.00 0.31 0.00 0.00 61.69 63.31 2kfs s THR 104 Cb 0.20 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 2kfs s THR 104 CO 0.38 0.19 1.70 -2.84 -0.69 0.00 0.00 174.62 173.36 2kfs s PRO 105 N 1.29 4.15 -0.13 4.92 0.02 -1.26 -4.33 135.00 139.66 2kfs s PRO 105 Ca 0.33 2.54 -0.24 0.00 0.02 0.00 0.00 61.00 63.65 2kfs s PRO 105 Cb -0.17 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 2kfs s PRO 105 CO 0.14 -0.73 0.75 0.34 -0.33 0.00 0.00 177.00 177.16 2kfs s ASP 106 N 1.42 6.94 0.49 2.53 -1.08 0.76 -4.91 116.67 122.82 2kfs s ASP 106 Ca 0.75 1.14 0.33 0.00 -0.52 0.00 0.00 52.55 54.24 2kfs s ASP 106 Cb -0.48 -2.42 1.75 0.00 -1.46 0.00 0.00 42.92 40.31 2kfs s ASP 106 CO 0.32 -0.26 2.00 1.55 0.52 0.00 0.00 175.17 179.31 2kfs h PRO 107 N 7.12 0.00 0.00 4.34 0.13 -1.90 -2.48 132.00 139.21 2kfs h PRO 107 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kfs h PRO 107 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.79 0.00 -0.04 0.43 -0.23 0.00 0.00 178.00 178.95 2kfs n SER 108 N -2.67 1.92 -4.47 1.44 7.64 -1.26 -4.70 113.62 111.52 2kfs n SER 108 Ca -0.02 -2.49 -0.35 0.00 1.01 0.00 0.00 58.87 57.03 2kfs n SER 108 Cb 0.07 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.81 3.28 -0.07 -3.43 2.96 -0.93 -4.97 118.68 113.71 2kfs s LEU 109 Ca 0.16 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2kfs s LEU 109 Cb 0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2kfs s LEU 109 CO 0.01 0.10 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.01 2kfs s THR 110 N 0.79 2.10 0.28 3.68 2.01 -1.26 -0.67 115.64 122.58 2kfs s THR 110 Ca 0.00 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.07 2kfs s THR 110 Cb -0.14 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 2kfs s THR 110 CO 0.02 0.57 -0.07 0.27 -0.69 0.00 0.00 174.62 174.72 2kfs s ILE 111 N -0.01 3.00 0.38 1.82 -5.25 -0.56 -4.97 121.20 115.62 2kfs s ILE 111 Ca -0.08 -2.09 -0.01 0.00 -0.99 0.00 0.00 60.65 57.48 2kfs s ILE 111 Cb -0.15 -2.65 -0.03 0.00 2.95 0.00 0.00 42.46 42.57 2kfs s ILE 111 CO 0.05 -0.36 0.61 0.28 -1.79 0.00 0.00 174.94 173.73 2kfs s THR 112 N -2.42 5.04 -0.09 8.37 -1.32 -1.26 -3.42 115.64 120.54 2kfs s THR 112 Ca 0.31 -0.31 -0.34 0.00 -1.21 0.00 0.00 61.69 60.14 2kfs s THR 112 Cb -0.05 -3.86 -0.12 0.00 -1.51 0.00 0.00 72.50 66.97 2kfs s THR 112 CO 0.18 -0.62 1.87 -1.14 -2.21 0.00 0.00 174.62 172.69 2kfs n ARG 113 N -1.90 2.14 0.00 7.08 0.00 -1.26 -4.74 116.66 117.98 2kfs n ARG 113 Ca -0.03 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.60 2kfs n ARG 113 Cb 0.56 -2.62 0.00 0.00 0.00 0.00 0.00 32.46 30.40 2kfs n ARG 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kfs n ASP 114 N 6.48 0.00 0.00 6.15 -0.08 -1.26 -4.95 116.55 122.89 2kfs n ASP 114 Ca 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2kfs n ASP 114 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kfs n GLY 115 N 0.00 1.68 3.54 0.27 0.00 -1.26 -4.50 105.19 104.93 2kfs n GLY 115 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 5.50 0.58 1.61 0.01 -1.26 -4.98 113.70 115.15 2kfs s SER 116 Ca 0.00 -0.07 0.31 0.00 1.31 0.00 0.00 55.95 57.50 2kfs s SER 116 Cb 0.00 -1.98 1.76 0.00 0.21 0.00 0.00 66.02 66.01 2kfs s SER 116 CO 0.00 0.03 2.20 0.08 0.41 0.00 0.00 173.24 175.96 2kfs h ARG 117 N 7.78 0.00 -4.93 12.44 0.11 -1.93 -3.37 114.38 124.49 2kfs h ARG 117 Ca -0.37 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.22 2kfs h ARG 117 Cb 1.18 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.12 2kfs h ARG 117 CO 0.61 0.04 -0.50 0.16 0.10 0.00 0.00 179.97 180.38 2kfs s ASP 118 N -6.01 1.96 0.08 0.08 -4.77 -1.26 -4.74 116.67 102.01 2kfs s ASP 118 Ca -0.04 -1.72 -0.30 0.00 -3.30 0.00 0.00 52.55 47.18 2kfs s ASP 118 Cb 0.14 0.54 -0.06 0.00 -1.09 0.00 0.00 42.92 42.46 2kfs s ASP 118 CO 0.54 -1.02 1.14 0.00 0.70 0.00 0.00 175.17 176.54 2kfs s ALA 119 N -3.40 3.35 -0.14 2.11 0.00 -1.26 -4.48 121.76 117.93 2kfs s ALA 119 Ca 0.35 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2kfs s ALA 119 Cb 0.03 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2kfs s ALA 119 CO 0.23 -0.35 -0.17 0.08 0.00 0.00 0.00 175.76 175.55 2kfs s VAL 120 N 0.78 1.72 0.28 0.00 1.01 -1.22 -4.97 120.40 117.99 2kfs s VAL 120 Ca 0.56 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2kfs s VAL 120 Cb -0.28 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 2kfs s VAL 120 CO 0.30 0.48 0.64 -0.94 0.00 0.00 0.00 175.10 175.59 2kfs s SER 121 N 1.22 6.69 -1.25 3.32 1.04 -1.26 -1.49 113.70 121.96 2kfs s SER 121 Ca 0.00 1.09 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 2kfs s SER 121 Cb -0.14 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.69 2kfs s SER 121 CO -0.07 -0.15 1.08 0.59 0.98 0.00 0.00 173.24 175.67 2kfs n ASN 122 N -0.29 -5.23 -4.83 7.02 5.03 0.16 -4.96 115.26 112.16 2kfs n ASN 122 Ca 0.02 -0.53 -0.30 0.00 0.87 0.00 0.00 54.58 54.64 2kfs n ASN 122 Cb 0.53 -4.81 0.07 0.00 -1.02 0.00 0.00 39.78 34.55 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kfs s ALA 123 N -3.31 2.52 -0.14 5.41 0.00 -0.01 -4.14 121.76 122.08 2kfs s ALA 123 Ca 0.43 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2kfs s ALA 123 Cb -0.19 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2kfs s ALA 123 CO 0.69 -1.46 0.25 0.50 0.00 0.00 0.00 175.76 175.75 2kfs s ARG 124 N -5.20 4.06 0.51 0.00 3.52 -1.26 -0.17 118.95 120.41 2kfs s ARG 124 Ca 0.59 0.04 0.27 0.00 -0.13 0.00 0.00 55.73 56.51 2kfs s ARG 124 Cb -0.13 -3.36 1.37 0.00 -1.56 0.00 0.00 34.95 31.27 2kfs s ARG 124 CO 0.54 0.40 1.91 -1.35 -0.81 0.00 0.00 175.30 175.98 2kfs h PRO 125 N 6.14 0.09 -0.75 5.12 0.11 -1.75 -1.79 132.00 139.17 2kfs h PRO 125 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kfs h PRO 125 Cb 1.18 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2kfs h PRO 125 CO 0.71 0.06 0.45 0.28 -0.21 0.00 0.00 178.00 179.29 2kfs h VAL 126 N 0.09 1.21 -0.47 3.15 2.07 -1.91 -1.39 116.25 119.00 2kfs h VAL 126 Ca 0.39 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 2kfs h VAL 126 Cb 1.42 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2kfs h VAL 126 CO -0.04 0.22 -0.21 0.44 0.02 0.00 0.00 177.57 178.00 2kfs h ASP 127 N 1.02 1.00 -0.90 0.57 5.19 -1.67 -3.05 116.42 118.58 2kfs h ASP 127 Ca 0.27 -0.40 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 2kfs h ASP 127 Cb -0.04 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.15 2kfs h ASP 127 CO -0.05 1.17 0.60 0.00 -3.12 0.00 0.00 179.24 177.84 2kfs h ALA 128 N 0.86 1.36 -0.22 3.45 0.00 -1.17 -0.13 119.26 123.41 2kfs h ALA 128 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2kfs h ALA 128 Cb 0.78 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kfs h ALA 128 CO 0.07 0.59 -0.34 1.37 0.00 0.00 0.00 179.25 180.93 2kfs h LEU 129 N 1.22 0.48 -0.34 0.00 8.10 -1.16 0.19 115.31 123.80 2kfs h LEU 129 Ca 0.33 -0.19 -0.08 0.00 0.11 0.00 0.00 57.88 58.06 2kfs h LEU 129 Cb -0.14 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 39.94 2kfs h LEU 129 CO -0.07 0.79 -0.36 -0.74 -4.11 0.00 0.00 178.44 173.95 2kfs h HIS 130 N 0.39 0.00 -0.18 0.17 2.76 -1.39 -2.85 115.15 114.05 2kfs h HIS 130 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kfs h HIS 130 Cb 0.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2kfs h HIS 130 CO 0.03 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 177.01 2kfs n ALA 131 N -2.21 2.57 -2.11 5.26 0.00 -0.11 -4.85 120.51 119.06 2kfs n ALA 131 Ca 0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 2kfs n ALA 131 Cb 0.62 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 0.09 -0.54 -1.15 0.00 -0.00 -1.05 -4.84 115.22 107.73 2kfs n HIS 132 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.83 2kfs n HIS 132 Cb 0.25 -2.88 0.23 0.00 -0.00 0.00 0.00 29.99 27.58 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 -2.38 2.42 -0.10 -0.41 6.02 0.60 -4.75 117.38 118.79 2kfs n GLN 133 Ca -0.16 -2.93 0.21 0.00 -0.01 0.00 0.00 57.00 54.10 2kfs n GLN 133 Cb 0.59 -1.81 0.64 0.00 1.02 0.00 0.00 30.24 30.68 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 1.38 2.46 -0.35 -1.58 0.00 -1.72 -0.35 119.26 119.10 2kfs h ALA 134 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2kfs h ALA 134 Cb 1.50 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2kfs h ALA 134 CO 0.27 -0.66 -0.07 0.00 0.00 0.00 0.00 179.25 178.79 2kfs h ARG 135 N 0.14 0.58 0.00 0.00 2.47 -1.93 0.11 114.38 115.75 2kfs h ARG 135 Ca 0.34 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.82 2kfs h ARG 135 Cb 1.15 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 2kfs h ARG 135 CO -0.05 0.65 -0.42 0.93 0.56 0.00 0.00 179.97 181.64 2kfs h GLU 136 N 0.54 0.00 -0.08 0.04 4.39 -1.45 0.28 114.58 118.30 2kfs h GLU 136 Ca 0.10 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2kfs h GLU 136 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kfs h GLU 136 CO 0.02 0.42 -0.32 0.28 -1.16 0.00 0.00 179.01 178.26 2kfs h VAL 137 N 0.00 1.41 -0.84 3.13 2.07 -1.13 -1.28 116.25 119.61 2kfs h VAL 137 Ca -0.00 -1.70 0.01 0.00 0.82 0.00 0.00 66.70 65.83 2kfs h VAL 137 Cb 0.82 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 2kfs h VAL 137 CO 0.05 0.49 0.56 0.58 0.02 0.00 0.00 177.57 179.27 2kfs h VAL 138 N -0.12 1.21 -0.41 2.57 2.07 -0.49 -0.70 116.25 120.37 2kfs h VAL 138 Ca -0.02 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2kfs h VAL 138 Cb 0.96 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2kfs h VAL 138 CO 0.07 0.21 0.18 -0.09 0.02 0.00 0.00 177.57 177.95 2kfs h ARG 139 N 1.14 0.36 -0.59 1.57 2.43 -0.38 0.30 114.38 119.20 2kfs h ARG 139 Ca 0.31 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2kfs h ARG 139 Cb -0.12 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 2kfs h ARG 139 CO -0.07 0.24 0.20 -0.09 -1.51 0.00 0.00 179.97 178.74 2kfs h ARG 140 N 0.37 0.88 -0.39 0.20 9.65 -0.60 0.53 114.38 125.01 2kfs h ARG 140 Ca 0.18 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2kfs h ARG 140 Cb 0.13 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2kfs h ARG 140 CO -0.16 0.75 0.07 0.00 2.80 0.00 0.00 179.97 183.42 2kfs h ALA 141 N 1.36 0.52 -0.34 2.80 0.00 -0.23 0.23 119.26 123.60 2kfs h ALA 141 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kfs h ALA 141 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kfs h ALA 141 CO -0.01 0.23 -0.22 1.96 0.00 0.00 0.00 179.25 181.21 2kfs h GLN 142 N 0.50 0.66 0.00 0.00 4.20 -0.05 -1.40 115.11 119.03 2kfs h GLN 142 Ca 0.12 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2kfs h GLN 142 Cb 0.36 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2kfs h GLN 142 CO 0.01 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 2kfs h ALA 143 N 1.17 1.00 0.02 3.87 0.00 -0.65 0.24 119.26 124.91 2kfs h ALA 143 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2kfs h ALA 143 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kfs h ALA 143 CO 0.05 0.00 -0.98 1.98 0.00 0.00 0.00 179.25 180.30 2kfs h MET 144 N 0.00 0.05 0.13 0.00 1.85 0.11 -3.33 114.93 113.74 2kfs h MET 144 Ca 0.00 -0.08 -0.33 0.00 -0.61 0.00 0.00 59.70 58.68 2kfs h MET 144 Cb 0.53 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.57 2kfs h MET 144 CO 0.00 0.98 -1.73 0.00 -0.40 0.00 0.00 176.91 175.77 2kfs h ALA 145 N 0.98 0.28 0.00 0.39 0.00 -0.87 -3.51 119.26 116.53 2kfs h ALA 145 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.65 2kfs h ALA 145 Cb 1.70 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.08 2kfs h ALA 145 CO 0.13 1.06 0.00 0.66 0.00 0.00 0.00 179.25 181.11