#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 3.85 -0.05 0.03 0.04 -1.26 -4.98 135.00 132.63 2kfs s PRO 2 Ca 0.00 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 2kfs s PRO 2 Cb 0.00 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.53 2kfs s PRO 2 CO 0.00 -1.24 0.11 0.20 0.04 0.00 0.00 177.00 176.11 2kfs s GLY 3 N 4.18 -0.02 0.38 0.56 0.00 -1.26 -5.14 107.32 106.02 2kfs s GLY 3 Ca 0.72 0.47 -0.25 0.00 0.00 0.00 0.00 44.72 45.66 2kfs s GLY 3 CO 0.29 0.67 1.10 0.50 0.00 0.00 0.00 173.10 175.66 2kfs s ARG 4 N 0.74 4.21 0.16 2.90 0.52 -1.26 -5.03 118.95 121.19 2kfs s ARG 4 Ca -0.06 1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 56.55 2kfs s ARG 4 Cb -0.08 -2.71 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 2kfs s ARG 4 CO -0.03 -0.14 0.90 0.00 0.02 0.00 0.00 175.30 176.04 2kfs s ALA 5 N -1.48 3.33 0.73 2.13 0.00 -1.26 -5.03 121.76 120.19 2kfs s ALA 5 Ca 0.55 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2kfs s ALA 5 Cb -0.27 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2kfs s ALA 5 CO 0.34 0.13 0.64 -2.30 0.00 0.00 0.00 175.76 174.56 2kfs n PRO 6 N 2.11 0.31 -2.06 0.00 -0.02 -1.26 -4.80 135.00 129.29 2kfs n PRO 6 Ca -0.01 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.34 2kfs n PRO 6 Cb 0.48 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 2kfs n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kfs s GLY 7 N -1.55 0.15 0.07 -1.23 0.00 -1.26 -4.82 107.32 98.67 2kfs s GLY 7 Ca 0.67 -2.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 2kfs s GLY 7 CO 0.56 3.55 0.12 -0.56 0.00 0.00 0.00 173.10 176.78 2kfs s SER 8 N 6.85 0.22 0.00 1.64 0.01 -1.26 -5.16 113.70 116.00 2kfs s SER 8 Ca 0.69 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2kfs s SER 8 Cb -0.02 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2kfs s SER 8 CO 0.10 -0.65 0.00 1.07 0.41 0.00 0.00 173.24 174.18 2kfs n THR 9 N 0.16 0.00 -2.46 1.44 5.66 -1.26 -5.14 114.28 112.69 2kfs n THR 9 Ca -0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.47 2kfs n THR 9 Cb 0.61 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 2kfs n THR 9 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kfs s LEU 10 N 0.00 4.18 -0.03 1.09 1.43 -1.26 -4.93 118.68 119.16 2kfs s LEU 10 Ca 0.00 2.15 0.20 0.00 -1.03 0.00 0.00 54.13 55.45 2kfs s LEU 10 Cb 0.00 -4.10 0.62 0.00 0.03 0.00 0.00 46.19 42.74 2kfs s LEU 10 CO 0.00 -0.54 1.52 0.00 0.23 0.00 0.00 176.35 177.56 2kfs n ALA 11 N 0.05 2.58 -2.61 4.21 0.00 -1.26 -4.79 120.51 118.69 2kfs n ALA 11 Ca 0.04 -1.26 -0.43 0.00 0.00 0.00 0.00 53.44 51.80 2kfs n ALA 11 Cb 0.48 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 2kfs n ALA 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kfs s ARG 12 N -1.31 3.34 -0.23 0.00 6.06 -1.26 -4.99 118.95 120.56 2kfs s ARG 12 Ca 0.46 -0.27 -0.01 0.00 -2.50 0.00 0.00 55.73 53.40 2kfs s ARG 12 Cb 0.25 -4.00 0.02 0.00 0.06 0.00 0.00 34.95 31.28 2kfs s ARG 12 CO 0.28 -1.27 -0.09 0.14 -2.50 0.00 0.00 175.30 171.87 2kfs s VAL 13 N 3.43 2.75 0.00 7.11 -7.23 -1.26 -5.09 120.40 120.11 2kfs s VAL 13 Ca 0.28 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2kfs s VAL 13 Cb -0.13 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2kfs s VAL 13 CO 0.20 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 2kfs n GLY 14 N 4.67 3.01 3.59 2.32 0.00 -1.19 -4.65 105.19 112.94 2kfs n GLY 14 Ca -0.18 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.77 5.64 -0.06 1.61 0.01 -1.26 -4.28 113.70 114.59 2kfs s SER 15 Ca 0.00 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.33 2kfs s SER 15 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kfs s SER 15 CO 0.00 -1.90 1.29 -0.63 0.41 0.00 0.00 173.24 172.41 2kfs s ILE 16 N 7.77 4.07 0.85 1.44 1.09 -1.20 -4.98 121.20 130.24 2kfs s ILE 16 Ca 0.85 1.39 -0.12 0.00 -1.10 0.00 0.00 60.65 61.68 2kfs s ILE 16 Cb -0.24 -3.90 0.10 0.00 -1.06 0.00 0.00 42.46 37.36 2kfs s ILE 16 CO 0.33 -0.03 1.11 -2.16 -0.10 0.00 0.00 174.94 174.08 2kfs s PRO 17 N 2.57 1.67 -0.17 2.79 0.04 -1.26 -4.83 135.00 135.81 2kfs s PRO 17 Ca 0.59 0.57 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 2kfs s PRO 17 Cb -0.26 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2kfs s PRO 17 CO 0.22 -1.89 -0.15 0.00 0.04 0.00 0.00 177.00 175.22 2kfs s ALA 18 N -3.15 2.48 0.00 8.56 0.00 -1.26 -4.63 121.76 123.77 2kfs s ALA 18 Ca 0.62 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kfs s ALA 18 Cb -0.15 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2kfs s ALA 18 CO 0.54 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2kfs n GLY 19 N 4.31 1.05 3.64 0.00 0.00 -1.26 -4.32 105.19 108.61 2kfs n GLY 19 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2kfs n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfs s ASP 20 N 0.36 6.34 0.23 1.61 1.01 -1.26 -1.20 116.67 123.76 2kfs s ASP 20 Ca 0.00 0.39 -0.31 0.00 0.71 0.00 0.00 52.55 53.34 2kfs s ASP 20 Cb 0.00 -2.21 -0.11 0.00 1.01 0.00 0.00 42.92 41.60 2kfs s ASP 20 CO 0.00 -0.11 1.64 -0.62 0.21 0.00 0.00 175.17 176.29 2kfs s ASP 21 N 1.27 6.43 0.00 0.27 2.15 -1.24 -4.51 116.67 121.03 2kfs s ASP 21 Ca 0.16 2.84 0.08 0.00 0.43 0.00 0.00 52.55 56.06 2kfs s ASP 21 Cb -0.15 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2kfs s ASP 21 CO 0.08 -0.91 0.55 0.52 -0.17 0.00 0.00 175.17 175.24 2kfs n VAL 22 N 3.31 0.00 -1.55 1.11 0.31 -1.26 -5.05 118.33 115.20 2kfs n VAL 22 Ca 0.13 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 2kfs n VAL 22 Cb 0.37 1.09 0.09 0.00 -0.91 0.00 0.00 33.84 34.48 2kfs n VAL 22 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kfs s LEU 23 N -1.48 2.56 -0.08 7.52 1.43 -1.26 -5.00 118.68 122.36 2kfs s LEU 23 Ca 0.06 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 2kfs s LEU 23 Cb 0.06 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2kfs s LEU 23 CO 0.20 -2.01 0.37 -0.62 0.23 0.00 0.00 176.35 174.52 2kfs s ASP 24 N -3.91 6.64 0.64 2.29 -1.08 -1.26 -4.98 116.67 115.01 2kfs s ASP 24 Ca 0.61 0.76 0.32 0.00 -0.52 0.00 0.00 52.55 53.72 2kfs s ASP 24 Cb -0.14 -2.23 1.74 0.00 -1.46 0.00 0.00 42.92 40.83 2kfs s ASP 24 CO 0.54 0.19 2.02 -0.65 0.52 0.00 0.00 175.17 177.79 2kfs h PRO 25 N 5.79 0.00 0.00 4.34 0.11 -2.03 -1.45 132.00 138.76 2kfs h PRO 25 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2kfs h PRO 25 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 25 CO 0.69 0.00 -1.08 0.22 -0.21 0.00 0.00 178.00 177.62 2kfs h ASP 26 N 0.00 0.00 -3.81 -2.05 3.58 -2.05 -3.47 116.42 108.62 2kfs h ASP 26 Ca 0.04 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.97 2kfs h ASP 26 Cb 0.60 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.72 2kfs h ASP 26 CO -0.00 0.38 0.67 -1.61 -2.88 0.00 0.00 179.24 175.81 2kfs s GLU 27 N -3.06 4.31 0.12 0.28 0.41 -0.55 -4.89 118.70 115.33 2kfs s GLU 27 Ca -0.01 2.27 -0.34 0.00 -0.41 0.00 0.00 54.97 56.49 2kfs s GLU 27 Cb 0.08 -3.06 -0.13 0.00 -1.78 0.00 0.00 34.13 29.24 2kfs s GLU 27 CO 0.79 -0.27 1.66 -0.35 -0.49 0.00 0.00 175.26 176.60 2kfs n PRO 28 N 0.99 2.27 -4.56 0.39 -0.04 -1.26 -4.93 135.00 127.86 2kfs n PRO 28 Ca 0.01 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.04 2kfs n PRO 28 Cb 0.41 -2.62 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kfs s THR 29 N 1.60 1.70 0.18 0.52 -4.23 -1.26 -0.70 115.64 113.44 2kfs s THR 29 Ca 0.81 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 2kfs s THR 29 Cb -0.65 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 2kfs s THR 29 CO 0.39 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.07 2kfs s TYR 30 N -2.92 1.43 0.13 3.99 2.02 0.16 -4.67 117.35 117.49 2kfs s TYR 30 Ca 0.35 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2kfs s TYR 30 Cb 0.09 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2kfs s TYR 30 CO 0.17 0.12 -0.04 0.34 -1.57 0.00 0.00 175.55 174.57 2kfs s ASP 31 N -3.23 1.23 0.15 2.29 -1.08 -1.26 -0.35 116.67 114.42 2kfs s ASP 31 Ca 0.20 -1.07 -0.20 0.00 -0.52 0.00 0.00 52.55 50.96 2kfs s ASP 31 Cb 0.03 0.10 0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2kfs s ASP 31 CO 0.04 -0.49 1.66 -0.07 0.52 0.00 0.00 175.17 176.82 2kfs h LEU 32 N 2.84 -0.49 -1.47 -1.34 3.38 -1.99 0.18 115.31 116.43 2kfs h LEU 32 Ca -0.36 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2kfs h LEU 32 Cb 1.18 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 2kfs h LEU 32 CO 0.64 -0.19 0.41 1.55 0.09 0.00 0.00 178.44 180.94 2kfs h PRO 33 N -0.13 0.65 -0.28 1.13 0.13 -1.97 -1.35 132.00 130.18 2kfs h PRO 33 Ca 0.14 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 2kfs h PRO 33 Cb 0.33 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 2kfs h PRO 33 CO -0.33 0.43 -0.50 -0.09 -0.23 0.00 0.00 178.00 177.28 2kfs h ARG 34 N 0.67 0.78 -0.37 0.86 9.65 -1.45 -1.97 114.38 122.55 2kfs h ARG 34 Ca 0.26 -0.46 -0.12 0.00 -1.10 0.00 0.00 59.98 58.55 2kfs h ARG 34 Cb 0.17 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2kfs h ARG 34 CO -0.07 1.09 -0.26 0.28 2.80 0.00 0.00 179.97 183.81 2kfs h VAL 35 N 0.61 1.27 -0.84 0.20 2.07 -0.29 -0.49 116.25 118.78 2kfs h VAL 35 Ca 0.03 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.22 2kfs h VAL 35 Cb 1.08 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 2kfs h VAL 35 CO 0.11 0.46 0.52 0.00 0.02 0.00 0.00 177.57 178.68 2kfs h ALA 36 N 1.06 1.14 -0.26 1.67 0.00 -1.11 0.57 119.26 122.33 2kfs h ALA 36 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kfs h ALA 36 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kfs h ALA 36 CO 0.06 0.29 0.02 1.49 0.00 0.00 0.00 179.25 181.11 2kfs h GLU 37 N 0.97 0.45 0.06 0.00 4.57 -0.89 -0.38 114.58 119.36 2kfs h GLU 37 Ca 0.36 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2kfs h GLU 37 Cb 0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2kfs h GLU 37 CO -0.16 0.60 -0.03 1.25 -1.18 0.00 0.00 179.01 179.49 2kfs h LEU 38 N 0.24 -0.07 0.00 1.64 5.85 -0.45 -3.09 115.31 119.43 2kfs h LEU 38 Ca 0.08 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kfs h LEU 38 Cb 0.38 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2kfs h LEU 38 CO 0.01 0.06 -0.52 0.18 -0.34 0.00 0.00 178.44 177.84 2kfs n LEU 39 N -5.07 0.65 -0.65 2.25 4.77 0.13 -4.92 117.00 114.16 2kfs n LEU 39 Ca -0.08 0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2kfs n LEU 39 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2kfs n LEU 39 CO 0.33 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.92 2kfs n GLY 40 N 1.37 0.24 3.45 -0.72 0.00 -0.25 -5.05 105.19 104.23 2kfs n GLY 40 Ca 0.04 -0.65 -0.23 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 -2.36 2.20 0.77 1.61 -7.23 -0.64 -5.04 120.40 109.71 2kfs s VAL 41 Ca 0.02 -2.31 -0.11 0.00 -1.81 0.00 0.00 61.98 57.77 2kfs s VAL 41 Cb -0.01 -2.31 0.05 0.00 0.56 0.00 0.00 36.38 34.67 2kfs s VAL 41 CO 0.02 -0.40 1.09 -2.16 -0.31 0.00 0.00 175.10 173.34 2kfs s PRO 42 N -3.58 2.33 0.44 4.82 0.04 -1.26 -4.37 135.00 133.42 2kfs s PRO 42 Ca 0.29 0.72 0.10 0.00 0.04 0.00 0.00 61.00 62.15 2kfs s PRO 42 Cb -0.02 -1.94 0.97 0.00 0.04 0.00 0.00 34.50 33.55 2kfs s PRO 42 CO 0.13 -1.47 2.06 0.28 0.04 0.00 0.00 177.00 178.04 2kfs h VAL 43 N -0.98 1.04 -0.63 -0.36 2.07 -1.93 -0.83 116.25 114.63 2kfs h VAL 43 Ca -0.46 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 43 Cb 1.25 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2kfs h VAL 43 CO 0.59 0.08 0.35 0.28 0.02 0.00 0.00 177.57 178.88 2kfs h SER 44 N 0.42 0.52 0.29 0.57 0.02 -1.96 -0.00 113.55 113.41 2kfs h SER 44 Ca 0.15 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2kfs h SER 44 Cb 0.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kfs h SER 44 CO -0.03 0.34 -0.44 0.11 -1.14 0.00 0.00 176.83 175.66 2kfs h LYS 45 N 0.66 0.20 -0.48 3.45 1.57 -1.53 -1.20 116.57 119.23 2kfs h LYS 45 Ca 0.28 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2kfs h LYS 45 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2kfs h LYS 45 CO -0.17 0.61 0.23 0.28 -0.57 0.00 0.00 179.45 179.83 2kfs h VAL 46 N 0.16 1.19 -0.63 0.50 2.07 -0.95 -0.57 116.25 118.02 2kfs h VAL 46 Ca 0.01 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 46 Cb 0.85 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2kfs h VAL 46 CO 0.07 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.20 2kfs h ALA 47 N 1.07 1.40 -0.62 1.67 0.00 -0.69 -2.17 119.26 119.93 2kfs h ALA 47 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2kfs h ALA 47 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2kfs h ALA 47 CO -0.02 0.49 0.16 1.96 0.00 0.00 0.00 179.25 181.83 2kfs h GLN 48 N 0.88 0.99 -0.74 0.00 4.20 -0.52 0.01 115.11 119.93 2kfs h GLN 48 Ca 0.22 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2kfs h GLN 48 Cb 0.04 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2kfs h GLN 48 CO -0.03 0.90 0.44 1.96 -0.67 0.00 0.00 178.83 181.42 2kfs h GLN 49 N 0.91 1.01 -0.76 1.46 4.20 -0.60 0.27 115.11 121.60 2kfs h GLN 49 Ca 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2kfs h GLN 49 Cb 0.35 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2kfs h GLN 49 CO 0.00 0.73 0.38 -0.07 -0.67 0.00 0.00 178.83 179.19 2kfs h LEU 50 N 1.02 0.99 -1.18 1.46 3.38 -1.13 -1.71 115.31 118.14 2kfs h LEU 50 Ca 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kfs h LEU 50 Cb -0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2kfs h LEU 50 CO -0.05 0.84 -0.11 0.03 0.09 0.00 0.00 178.44 179.24 2kfs h ARG 51 N 1.07 0.00 0.00 1.13 3.08 0.03 -2.75 114.38 116.95 2kfs h ARG 51 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2kfs h ARG 51 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2kfs h ARG 51 CO -0.03 0.11 -0.11 0.39 -1.07 0.00 0.00 179.97 179.26 2kfs n GLU 52 N -3.24 0.15 -1.52 0.04 1.02 0.85 -3.18 120.64 114.76 2kfs n GLU 52 Ca 0.01 0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 2kfs n GLU 52 Cb 0.38 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.40 0.64 0.64 0.62 0.00 -1.00 -4.89 105.19 102.60 2kfs n GLY 53 Ca 0.06 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.20 0.30 -3.66 1.61 -0.00 -0.78 -4.59 115.22 104.90 2kfs n HIS 54 Ca -0.08 -0.28 -0.14 0.00 -0.00 0.00 0.00 57.72 57.22 2kfs n HIS 54 Cb 0.35 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.99 30.25 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 -1.03 0.29 0.03 2.41 2.96 -1.14 -4.66 118.68 117.53 2kfs s LEU 55 Ca 0.22 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 2kfs s LEU 55 Cb 0.13 1.77 -0.02 0.00 0.50 0.00 0.00 46.19 48.57 2kfs s LEU 55 CO 0.17 -0.56 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.90 2kfs s VAL 56 N -1.67 0.31 0.09 1.68 1.01 -1.26 -4.36 120.40 116.19 2kfs s VAL 56 Ca -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2kfs s VAL 56 Cb -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2kfs s VAL 56 CO 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 175.10 174.81 2kfs s ALA 57 N -1.25 0.45 0.16 5.51 0.00 -1.26 -4.66 121.76 120.71 2kfs s ALA 57 Ca -0.11 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.73 2kfs s ALA 57 Cb -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 2kfs s ALA 57 CO -0.00 -0.44 -0.10 0.14 0.00 0.00 0.00 175.76 175.35 2kfs s VAL 58 N -3.95 1.27 -0.22 0.00 -7.23 -0.05 -4.22 120.40 105.99 2kfs s VAL 58 Ca 0.12 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2kfs s VAL 58 Cb 0.07 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2kfs s VAL 58 CO -0.06 -0.70 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.34 2kfs s ARG 59 N -3.73 3.04 -0.07 4.82 3.52 -0.34 -0.37 118.95 125.82 2kfs s ARG 59 Ca 0.18 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 2kfs s ARG 59 Cb 0.02 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2kfs s ARG 59 CO 0.02 -0.29 -0.13 -0.98 -0.81 0.00 0.00 175.30 173.11 2kfs s ARG 60 N 1.36 1.82 -1.72 5.12 1.70 0.62 -3.71 118.95 124.14 2kfs s ARG 60 Ca 0.03 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 2kfs s ARG 60 Cb -0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 34.95 32.75 2kfs s ARG 60 CO -0.06 0.04 0.00 0.00 -1.08 0.00 0.00 175.30 174.20 2kfs n ALA 61 N 3.78 -0.29 0.00 7.88 0.00 -1.26 -1.19 120.51 129.42 2kfs n ALA 61 Ca -0.23 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kfs n ALA 61 Cb 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.93 2.13 3.87 0.00 0.00 -1.26 -5.04 105.19 103.95 2kfs n GLY 62 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.21 2.30 -0.26 -0.02 0.00 -0.34 -5.02 107.32 101.77 2kfs s GLY 63 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 2kfs s GLY 63 CO 0.00 -0.24 0.30 0.14 0.00 0.00 0.00 173.10 173.30 2kfs s VAL 64 N -1.23 5.24 0.09 1.40 1.01 -1.26 -0.28 120.40 125.36 2kfs s VAL 64 Ca 0.26 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2kfs s VAL 64 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.14 0.22 -0.13 0.68 0.00 0.00 0.00 175.10 176.01 2kfs s VAL 65 N 1.75 1.07 -0.10 2.92 -7.23 0.51 -4.53 120.40 114.79 2kfs s VAL 65 Ca 0.13 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2kfs s VAL 65 Cb -0.15 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 2kfs s VAL 65 CO 0.09 -0.36 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.74 2kfs s ILE 66 N -1.75 2.89 0.12 -0.62 1.01 0.53 -0.87 121.20 122.50 2kfs s ILE 66 Ca 0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 2kfs s ILE 66 Cb -0.07 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 2kfs s ILE 66 CO 0.02 0.55 1.38 -2.84 0.00 0.00 0.00 174.94 174.05 2kfs s PRO 67 N -0.02 4.32 0.56 2.79 0.02 -1.26 0.40 135.00 141.81 2kfs s PRO 67 Ca -0.04 2.07 0.30 0.00 0.02 0.00 0.00 61.00 63.35 2kfs s PRO 67 Cb -0.14 -3.24 1.68 0.00 0.02 0.00 0.00 34.50 32.81 2kfs s PRO 67 CO 0.04 -0.42 2.17 0.37 -0.33 0.00 0.00 177.00 178.83 2kfs h GLN 68 N 6.69 0.00 0.00 5.54 4.15 -1.19 -1.69 115.11 128.61 2kfs h GLN 68 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2kfs h GLN 68 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2kfs h GLN 68 CO 0.86 0.06 0.00 1.33 -1.93 0.00 0.00 178.83 179.15 2kfs n VAL 69 N -3.68 0.88 0.90 2.39 0.24 -1.26 -0.68 118.33 117.13 2kfs n VAL 69 Ca -0.02 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.63 2kfs n VAL 69 Cb 0.16 -1.04 0.51 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.35 0.22 -4.20 6.34 3.01 -0.64 -4.81 117.46 116.04 2kfs n PHE 70 Ca 0.04 0.07 -0.23 0.00 1.01 0.00 0.00 57.45 58.34 2kfs n PHE 70 Cb 0.10 -0.57 -0.07 0.00 -0.01 0.00 0.00 39.48 38.93 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 -3.03 2.66 0.69 1.38 0.40 0.15 -3.23 117.98 117.00 2kfs s PHE 71 Ca 0.13 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 2kfs s PHE 71 Cb 0.17 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 42.20 2kfs s PHE 71 CO 0.57 0.42 1.05 0.95 0.70 0.00 0.00 175.22 178.91 2kfs s THR 72 N -2.43 3.19 0.29 0.64 -4.23 0.16 -4.77 115.64 108.48 2kfs s THR 72 Ca 0.36 0.20 0.37 0.00 -1.18 0.00 0.00 61.69 61.43 2kfs s THR 72 Cb -0.02 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.86 2kfs s THR 72 CO 0.21 -0.42 2.11 -0.55 -0.54 0.00 0.00 174.62 175.43 2kfs h ASN 73 N -0.57 0.00 1.94 3.99 -1.07 -1.91 -0.50 115.58 117.45 2kfs h ASN 73 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2kfs h ASN 73 CO 0.63 0.00 0.00 0.28 0.07 0.00 0.00 177.43 178.41 2kfs h SER 74 N 0.00 0.00 0.00 6.14 0.02 -2.01 -3.47 113.55 114.23 2kfs h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kfs h SER 74 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2kfs h SER 74 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2kfs n GLY 75 N 1.05 0.56 3.98 -3.77 0.00 -0.20 -5.09 105.19 101.72 2kfs n GLY 75 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2kfs n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kfs s GLN 76 N -0.68 2.99 0.34 1.61 -2.07 -1.26 -4.77 119.66 115.81 2kfs s GLN 76 Ca 0.00 -0.83 -0.29 0.00 -1.82 0.00 0.00 55.36 52.42 2kfs s GLN 76 Cb 0.00 -2.68 -0.10 0.00 -1.09 0.00 0.00 33.01 29.13 2kfs s GLN 76 CO 0.00 -0.19 1.33 0.08 -1.32 0.00 0.00 175.29 175.19 2kfs s VAL 77 N -2.40 2.63 0.26 3.63 1.01 -1.26 0.38 120.40 124.64 2kfs s VAL 77 Ca 0.49 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2kfs s VAL 77 Cb -0.10 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 2kfs s VAL 77 CO 0.35 0.15 1.33 -0.69 0.00 0.00 0.00 175.10 176.24 2kfs s VAL 78 N -1.12 2.90 0.37 2.92 1.01 -1.20 -4.70 120.40 120.58 2kfs s VAL 78 Ca 0.50 0.81 0.09 0.00 0.00 0.00 0.00 61.98 63.38 2kfs s VAL 78 Cb -0.41 -3.51 0.32 0.00 0.00 0.00 0.00 36.38 32.78 2kfs s VAL 78 CO 0.54 0.15 1.89 0.50 0.00 0.00 0.00 175.10 178.19 2kfs h LYS 79 N 4.53 0.64 -0.01 2.72 1.63 -1.93 -0.47 116.57 123.68 2kfs h LYS 79 Ca -0.47 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kfs h LYS 79 Cb 1.22 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2kfs h LYS 79 CO 0.73 0.43 -0.03 -1.13 -3.45 0.00 0.00 179.45 175.99 2kfs n SER 80 N -4.53 1.15 0.15 4.20 3.41 -1.26 -4.21 113.62 112.53 2kfs n SER 80 Ca 0.16 -1.31 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 2kfs n SER 80 Cb 0.43 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kfs h LEU 81 N 1.76 -0.31 -1.88 1.04 5.85 -1.43 -2.40 115.31 117.94 2kfs h LEU 81 Ca 0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kfs h LEU 81 Cb 0.41 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2kfs h LEU 81 CO 0.00 -0.00 0.04 -0.65 -0.34 0.00 0.00 178.44 177.49 2kfs h PRO 82 N -0.63 0.12 -0.30 5.25 0.11 -1.74 -1.92 132.00 132.89 2kfs h PRO 82 Ca -0.04 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 2kfs h PRO 82 Cb 0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2kfs h PRO 82 CO 0.06 0.09 0.04 0.78 -0.21 0.00 0.00 178.00 178.76 2kfs h GLY 83 N 0.16 0.54 1.09 -0.55 0.00 -1.75 0.16 103.07 102.72 2kfs h GLY 83 Ca 0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2kfs h GLY 83 CO -0.01 0.34 -0.22 0.17 0.00 0.00 0.00 176.54 176.82 2kfs h LEU 84 N 0.32 0.98 -0.70 3.11 8.10 -0.95 -2.89 115.31 123.29 2kfs h LEU 84 Ca 0.09 -0.40 -0.04 0.00 0.11 0.00 0.00 57.88 57.63 2kfs h LEU 84 Cb 0.36 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.28 2kfs h LEU 84 CO 0.01 1.17 0.27 -0.07 -4.11 0.00 0.00 178.44 175.71 2kfs h LEU 85 N 0.79 0.97 -0.32 0.17 3.38 -1.21 -2.31 115.31 116.78 2kfs h LEU 85 Ca 0.10 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kfs h LEU 85 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2kfs h LEU 85 CO 0.07 0.88 0.13 0.74 0.09 0.00 0.00 178.44 180.35 2kfs h THR 86 N 1.00 0.94 -0.39 0.22 2.02 -0.55 0.15 112.91 116.29 2kfs h THR 86 Ca 0.23 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 2kfs h THR 86 Cb 0.22 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2kfs h THR 86 CO -0.02 0.05 -0.16 -0.29 0.37 0.00 0.00 175.52 175.48 2kfs h ILE 87 N 0.28 1.28 -0.39 3.11 -0.00 -1.31 -0.73 117.51 119.74 2kfs h ILE 87 Ca 0.14 -1.28 -0.11 0.00 -0.00 0.00 0.00 64.86 63.61 2kfs h ILE 87 Cb 0.09 1.27 -0.02 0.00 -0.00 0.00 0.00 36.82 38.17 2kfs h ILE 87 CO -0.12 0.43 -0.19 -0.07 -0.00 0.00 0.00 178.15 178.19 2kfs h LEU 88 N 0.61 0.75 -1.15 2.19 -0.00 -1.20 -2.70 115.31 113.81 2kfs h LEU 88 Ca 0.09 -0.26 -0.08 0.00 -0.00 0.00 0.00 57.88 57.64 2kfs h LEU 88 Cb 0.70 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2kfs h LEU 88 CO 0.05 0.94 -0.28 0.45 -0.00 0.00 0.00 178.44 179.60 2kfs h HIS 89 N 0.66 0.27 0.00 1.13 3.86 -0.53 -0.29 115.15 120.25 2kfs h HIS 89 Ca 0.10 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2kfs h HIS 89 Cb 0.69 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 2kfs h HIS 89 CO 0.03 0.51 -0.16 0.22 0.86 0.00 0.00 177.93 179.39 2kfs h ASP 90 N 0.22 0.00 -0.41 2.45 3.58 -0.82 -1.13 116.42 120.31 2kfs h ASP 90 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kfs h ASP 90 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kfs h ASP 90 CO 0.04 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 2kfs n GLY 91 N -1.08 1.48 2.50 -0.78 0.00 -0.68 -4.96 105.19 101.68 2kfs n GLY 91 Ca -0.03 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 1.42 -0.17 3.73 -0.02 0.00 -0.43 -4.98 105.19 104.74 2kfs n GLY 92 Ca 0.19 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.89 3.63 0.95 1.61 1.51 -0.22 -5.00 117.35 116.95 2kfs s TYR 93 Ca 0.14 1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 57.41 2kfs s TYR 93 Cb -0.06 -2.81 0.16 0.00 -0.11 0.00 0.00 41.96 39.14 2kfs s TYR 93 CO 0.17 0.15 1.13 -0.98 -1.11 0.00 0.00 175.55 174.91 2kfs s ARG 94 N 0.50 0.79 0.21 -0.62 1.70 -1.26 -4.59 118.95 115.68 2kfs s ARG 94 Ca 0.38 0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 55.87 2kfs s ARG 94 Cb -0.19 -1.80 0.27 0.00 -0.57 0.00 0.00 34.95 32.67 2kfs s ARG 94 CO 0.20 -2.44 1.77 0.38 -1.08 0.00 0.00 175.30 174.13 2kfs h ASP 95 N -1.68 0.38 -0.67 -2.89 2.03 -1.90 -1.51 116.42 110.19 2kfs h ASP 95 Ca -0.52 0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 55.81 2kfs h ASP 95 Cb 1.33 -0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.80 2kfs h ASP 95 CO 0.59 0.23 0.30 0.74 -1.03 0.00 0.00 179.24 180.08 2kfs h THR 96 N 0.53 1.23 -0.28 1.15 2.02 -1.89 -2.37 112.91 113.30 2kfs h THR 96 Ca 0.31 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 2kfs h THR 96 Cb 0.31 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2kfs h THR 96 CO -0.25 0.27 -0.19 -0.33 0.37 0.00 0.00 175.52 175.39 2kfs h GLU 97 N 0.93 0.51 -0.14 6.66 4.39 -1.65 -0.39 114.58 124.88 2kfs h GLU 97 Ca 0.23 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2kfs h GLU 97 Cb 0.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2kfs h GLU 97 CO -0.03 0.68 0.08 0.82 -1.16 0.00 0.00 179.01 179.40 2kfs h ILE 98 N 0.46 1.09 0.00 3.13 1.08 -0.99 -2.21 117.51 120.07 2kfs h ILE 98 Ca 0.08 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2kfs h ILE 98 Cb 0.60 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2kfs h ILE 98 CO 0.04 0.08 0.00 0.24 -0.69 0.00 0.00 178.15 177.82 2kfs h MET 99 N 0.14 0.00 0.64 2.37 2.86 -1.22 -3.11 114.93 116.61 2kfs h MET 99 Ca 0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2kfs h MET 99 Cb 0.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 2kfs h MET 99 CO -0.01 0.00 -0.31 -0.09 1.06 0.00 0.00 176.91 177.56 2kfs h ARG 100 N 0.00 -0.83 -0.12 1.72 2.43 -0.41 -0.84 114.38 116.32 2kfs h ARG 100 Ca 0.00 0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 100 Cb 0.70 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2kfs h ARG 100 CO 0.00 -0.55 -0.43 0.11 -1.51 0.00 0.00 179.97 177.59 2kfs h TRP 101 N -0.89 0.32 -1.01 2.20 5.08 -1.68 -3.10 115.95 116.89 2kfs h TRP 101 Ca -0.09 -0.09 0.01 0.00 1.08 0.00 0.00 58.89 59.80 2kfs h TRP 101 Cb 0.66 -0.07 -0.05 0.00 -3.00 0.00 0.00 29.16 26.70 2kfs h TRP 101 CO 0.08 0.66 0.67 -0.07 -1.28 0.00 0.00 178.44 178.50 2kfs h LEU 102 N 0.23 1.16 -1.07 0.11 3.38 -1.45 -2.75 115.31 114.91 2kfs h LEU 102 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kfs h LEU 102 Cb 0.85 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kfs h LEU 102 CO 0.07 0.84 -0.23 0.49 0.09 0.00 0.00 178.44 179.70 2kfs n PHE 103 N -4.38 0.00 -2.97 1.13 3.01 -0.33 -2.72 117.46 111.19 2kfs n PHE 103 Ca 0.12 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.15 2kfs n PHE 103 Cb 0.01 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 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 -2.29 4.65 0.51 4.37 2.01 -1.04 -4.93 115.64 118.91 2kfs s THR 104 Ca 0.25 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.42 2kfs s THR 104 Cb 0.19 -4.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 2kfs s THR 104 CO 0.46 -0.73 1.40 -2.84 -0.69 0.00 0.00 174.62 172.22 2kfs s PRO 105 N 3.29 3.37 -0.21 4.92 0.02 -1.26 -4.49 135.00 140.63 2kfs s PRO 105 Ca 0.29 2.35 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 2kfs s PRO 105 Cb -0.12 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 2kfs s PRO 105 CO 0.22 -1.05 0.02 0.34 -0.33 0.00 0.00 177.00 176.21 2kfs s ASP 106 N -0.71 4.98 0.57 2.53 -1.08 -1.00 -4.93 116.67 117.03 2kfs s ASP 106 Ca 0.67 -0.18 0.28 0.00 -0.52 0.00 0.00 52.55 52.80 2kfs s ASP 106 Cb -0.43 -1.86 1.71 0.00 -1.46 0.00 0.00 42.92 40.88 2kfs s ASP 106 CO 0.53 0.05 2.22 1.55 0.52 0.00 0.00 175.17 180.04 2kfs h PRO 107 N 7.60 0.00 -0.12 4.34 0.13 -1.91 -1.90 132.00 140.14 2kfs h PRO 107 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kfs h PRO 107 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kfs h PRO 107 CO 0.61 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 2kfs n SER 108 N -3.91 2.91 -4.70 1.44 7.64 -1.26 -4.35 113.62 111.39 2kfs n SER 108 Ca -0.03 -1.90 -0.35 0.00 1.01 0.00 0.00 58.87 57.61 2kfs n SER 108 Cb 0.10 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.65 4.04 -0.22 -3.43 2.96 -0.72 -4.97 118.68 114.69 2kfs s LEU 109 Ca 0.28 0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2kfs s LEU 109 Cb 0.18 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.90 2kfs s LEU 109 CO 0.27 0.19 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.57 2kfs s THR 110 N 0.28 1.26 0.11 3.68 2.01 -1.26 -0.61 115.64 121.11 2kfs s THR 110 Ca 0.06 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.15 2kfs s THR 110 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 2kfs s THR 110 CO -0.01 -0.10 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.95 2kfs s ILE 111 N 1.53 1.94 0.12 1.82 -1.09 0.22 -4.83 121.20 120.91 2kfs s ILE 111 Ca -0.04 -1.60 0.03 0.00 -2.23 0.00 0.00 60.65 56.80 2kfs s ILE 111 Cb -0.18 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 2kfs s ILE 111 CO -0.07 0.03 0.19 0.28 -1.23 0.00 0.00 174.94 174.14 2kfs s THR 112 N -1.09 4.96 0.06 2.92 -1.32 -1.26 0.39 115.64 120.30 2kfs s THR 112 Ca 0.10 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.85 2kfs s THR 112 Cb -0.10 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.37 2kfs s THR 112 CO 0.05 -0.01 -0.09 -0.60 -2.21 0.00 0.00 174.62 171.76 2kfs s ARG 113 N -2.91 0.66 -0.55 7.08 3.00 -0.08 -4.80 118.95 121.35 2kfs s ARG 113 Ca 0.33 -0.94 -0.26 0.00 -1.00 0.00 0.00 55.73 53.86 2kfs s ARG 113 Cb -0.11 -0.38 -0.06 0.00 0.00 0.00 0.00 34.95 34.40 2kfs s ARG 113 CO 0.26 0.06 2.21 -0.51 0.00 0.00 0.00 175.30 177.32 2kfs s ASP 114 N -1.98 4.71 0.00 -2.12 1.01 -1.26 -1.14 116.67 115.89 2kfs s ASP 114 Ca -0.03 0.74 0.00 0.00 0.71 0.00 0.00 52.55 53.97 2kfs s ASP 114 Cb -0.06 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2kfs s ASP 114 CO -0.00 -2.75 0.00 0.61 0.21 0.00 0.00 175.17 173.23 2kfs n GLY 115 N 5.95 3.30 2.95 0.21 0.00 -1.26 -5.02 105.19 111.32 2kfs n GLY 115 Ca 0.32 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.11 4.48 0.25 1.61 0.01 -0.29 -4.94 113.70 114.71 2kfs s SER 116 Ca 0.00 -2.37 0.03 0.00 1.31 0.00 0.00 55.95 54.92 2kfs s SER 116 Cb 0.00 -1.50 0.32 0.00 0.21 0.00 0.00 66.02 65.04 2kfs s SER 116 CO 0.00 -0.34 1.63 0.03 0.41 0.00 0.00 173.24 174.97 2kfs h ARG 117 N 7.30 0.37 -6.72 12.44 3.08 -1.96 -0.18 114.38 128.70 2kfs h ARG 117 Ca -0.06 -0.20 -0.54 0.00 0.07 0.00 0.00 59.98 59.26 2kfs h ARG 117 Cb 0.98 0.01 0.07 0.00 0.08 0.00 0.00 29.97 31.11 2kfs h ARG 117 CO 0.56 0.75 0.91 -0.25 -1.07 0.00 0.00 179.97 180.87 2kfs n ASP 118 N -4.00 3.80 -4.74 7.04 8.00 -1.26 -4.75 116.55 120.65 2kfs n ASP 118 Ca -0.02 1.11 -0.41 0.00 0.71 0.00 0.00 54.79 56.18 2kfs n ASP 118 Cb 0.52 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 2kfs n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfs s ALA 119 N 0.45 3.58 -0.26 2.24 0.00 -1.26 -4.57 121.76 121.94 2kfs s ALA 119 Ca 0.69 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.82 2kfs s ALA 119 Cb -0.52 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 2kfs s ALA 119 CO 0.42 -0.66 0.07 0.08 0.00 0.00 0.00 175.76 175.68 2kfs s VAL 120 N -0.03 4.21 0.35 0.00 1.01 0.16 -4.90 120.40 121.20 2kfs s VAL 120 Ca 0.58 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 2kfs s VAL 120 Cb -0.40 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 2kfs s VAL 120 CO 0.42 0.28 0.84 -0.55 0.00 0.00 0.00 175.10 176.08 2kfs s SER 121 N 1.59 6.92 -0.87 3.32 0.15 -1.26 -0.61 113.70 122.93 2kfs s SER 121 Ca 0.06 1.50 -0.05 0.00 0.70 0.00 0.00 55.95 58.16 2kfs s SER 121 Cb -0.16 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2kfs s SER 121 CO 0.03 -0.23 0.76 0.59 1.20 0.00 0.00 173.24 175.59 2kfs n ASN 122 N -0.26 -4.48 -4.84 5.45 3.02 0.22 -4.97 115.26 109.41 2kfs n ASN 122 Ca 0.04 -0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 53.91 2kfs n ASN 122 Cb 0.53 -3.46 -0.06 0.00 -0.61 0.00 0.00 39.78 36.18 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 -3.21 3.17 -0.05 5.41 0.00 -1.20 -4.40 121.76 121.48 2kfs s ALA 123 Ca 0.33 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 2kfs s ALA 123 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2kfs s ALA 123 CO 0.47 0.19 0.98 -0.98 0.00 0.00 0.00 175.76 176.42 2kfs s ARG 124 N -3.17 4.50 0.61 0.00 1.70 -1.26 -2.37 118.95 118.96 2kfs s ARG 124 Ca 0.58 1.38 0.27 0.00 -0.47 0.00 0.00 55.73 57.49 2kfs s ARG 124 Cb -0.10 -3.49 1.31 0.00 -0.57 0.00 0.00 34.95 32.10 2kfs s ARG 124 CO 0.16 -0.15 1.74 -1.35 -1.08 0.00 0.00 175.30 174.61 2kfs h PRO 125 N 6.92 0.00 -0.88 3.89 0.11 -1.74 -0.65 132.00 139.65 2kfs h PRO 125 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kfs h PRO 125 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kfs h PRO 125 CO 0.79 0.00 0.55 0.28 -0.21 0.00 0.00 178.00 179.41 2kfs h VAL 126 N 0.00 1.24 -0.01 3.15 2.07 -1.87 -1.96 116.25 118.87 2kfs h VAL 126 Ca 0.20 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 2kfs h VAL 126 Cb 1.44 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kfs h VAL 126 CO -0.00 0.25 -0.49 0.44 0.02 0.00 0.00 177.57 177.78 2kfs h ASP 127 N 1.21 0.03 -0.25 0.57 3.32 -1.44 -2.92 116.42 116.94 2kfs h ASP 127 Ca 0.32 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 2kfs h ASP 127 Cb -0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2kfs h ASP 127 CO -0.06 0.52 0.05 0.00 -1.72 0.00 0.00 179.24 178.03 2kfs h ALA 128 N 1.48 0.34 -0.58 3.45 0.00 -1.43 -1.25 119.26 121.27 2kfs h ALA 128 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kfs h ALA 128 Cb 0.88 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2kfs h ALA 128 CO 0.07 0.01 0.14 1.37 0.00 0.00 0.00 179.25 180.83 2kfs h LEU 129 N 0.23 0.85 -0.67 0.00 8.10 -1.32 0.34 115.31 122.84 2kfs h LEU 129 Ca 0.08 -0.16 -0.13 0.00 0.11 0.00 0.00 57.88 57.78 2kfs h LEU 129 Cb 0.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2kfs h LEU 129 CO 0.00 0.82 -0.32 -0.74 -4.11 0.00 0.00 178.44 174.09 2kfs h HIS 130 N 0.87 0.78 -0.38 0.17 2.76 -1.40 -2.89 115.15 115.06 2kfs h HIS 130 Ca 0.19 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2kfs h HIS 130 Cb 0.31 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 2kfs h HIS 130 CO 0.02 0.91 0.05 0.00 -1.30 0.00 0.00 177.93 177.61 2kfs n ALA 131 N -2.51 3.48 -2.11 5.26 0.00 -0.48 -4.87 120.51 119.29 2kfs n ALA 131 Ca -0.01 -1.24 -0.16 0.00 0.00 0.00 0.00 53.44 52.03 2kfs n ALA 131 Cb 0.48 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N 0.28 -0.59 -1.18 0.00 -0.00 -0.99 -4.85 115.22 107.89 2kfs n HIS 132 Ca 0.19 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.38 2kfs n HIS 132 Cb 0.88 -3.18 0.24 0.00 -0.12 0.00 0.00 29.99 27.81 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kfs n GLN 133 N -2.54 2.52 0.08 1.57 6.02 0.12 -4.67 117.38 120.48 2kfs n GLN 133 Ca -0.18 -3.00 0.21 0.00 -0.01 0.00 0.00 57.00 54.01 2kfs n GLN 133 Cb 0.62 -1.88 0.74 0.00 1.02 0.00 0.00 30.24 30.74 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 1.51 2.16 -0.97 -1.58 0.00 -1.75 -2.29 119.26 116.32 2kfs h ALA 134 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2kfs h ALA 134 Cb 1.66 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 2kfs h ALA 134 CO 0.36 -0.69 0.62 0.00 0.00 0.00 0.00 179.25 179.54 2kfs h ARG 135 N 0.00 0.92 -0.18 0.00 3.08 -1.91 0.36 114.38 116.65 2kfs h ARG 135 Ca 0.21 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 2kfs h ARG 135 Cb 1.14 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2kfs h ARG 135 CO -0.00 0.61 -0.35 0.93 -1.07 0.00 0.00 179.97 180.09 2kfs h GLU 136 N 0.94 0.37 -0.17 0.04 4.39 -1.82 -1.84 114.58 116.50 2kfs h GLU 136 Ca 0.48 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.85 2kfs h GLU 136 Cb 0.50 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2kfs h GLU 136 CO -0.24 0.68 -0.56 0.28 -1.16 0.00 0.00 179.01 178.01 2kfs h VAL 137 N 0.32 1.32 -0.16 3.13 2.07 -0.96 -1.36 116.25 120.61 2kfs h VAL 137 Ca 0.04 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2kfs h VAL 137 Cb 0.77 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2kfs h VAL 137 CO 0.06 0.56 0.07 0.58 0.02 0.00 0.00 177.57 178.86 2kfs h VAL 138 N 0.36 1.14 -0.61 2.57 2.07 -0.31 0.19 116.25 121.65 2kfs h VAL 138 Ca -0.02 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2kfs h VAL 138 Cb 1.18 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2kfs h VAL 138 CO 0.12 0.13 0.18 0.08 0.02 0.00 0.00 177.57 178.10 2kfs h ARG 139 N 0.13 0.93 -0.58 1.57 0.11 -1.35 0.23 114.38 115.43 2kfs h ARG 139 Ca 0.06 -0.18 -0.07 0.00 0.10 0.00 0.00 59.98 59.89 2kfs h ARG 139 Cb 0.14 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 2kfs h ARG 139 CO -0.01 0.81 0.11 -0.09 0.10 0.00 0.00 179.97 180.89 2kfs h ARG 140 N 0.90 0.96 -0.36 0.08 9.65 -0.93 -0.34 114.38 124.34 2kfs h ARG 140 Ca 0.20 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2kfs h ARG 140 Cb 0.27 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2kfs h ARG 140 CO -0.01 0.90 0.09 0.00 2.80 0.00 0.00 179.97 183.76 2kfs h ALA 141 N 1.01 0.47 -0.75 2.80 0.00 -0.04 -1.37 119.26 121.38 2kfs h ALA 141 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 141 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2kfs h ALA 141 CO 0.01 0.13 0.36 1.96 0.00 0.00 0.00 179.25 181.72 2kfs h GLN 142 N 0.43 1.07 -0.44 0.00 4.20 -0.28 0.69 115.11 120.78 2kfs h GLN 142 Ca 0.11 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2kfs h GLN 142 Cb 0.29 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2kfs h GLN 142 CO 0.00 0.83 -0.18 0.00 -0.67 0.00 0.00 178.83 178.81 2kfs h ALA 143 N 1.33 0.86 -0.37 3.87 0.00 -0.83 0.20 119.26 124.31 2kfs h ALA 143 Ca 0.26 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2kfs h ALA 143 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kfs h ALA 143 CO -0.03 0.64 -0.38 1.98 0.00 0.00 0.00 179.25 181.46 2kfs h MET 144 N 0.75 0.89 0.00 0.00 1.85 -0.67 -3.35 114.93 114.39 2kfs h MET 144 Ca 0.11 -0.46 -0.07 0.00 -0.61 0.00 0.00 59.70 58.67 2kfs h MET 144 Cb 0.70 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 2kfs h MET 144 CO 0.05 1.11 -0.49 0.00 -0.40 0.00 0.00 176.91 177.18 2kfs h ALA 145 N 0.83 0.08 -0.03 0.39 0.00 -0.74 -3.51 119.26 116.28 2kfs h ALA 145 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kfs h ALA 145 Cb 0.96 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kfs h ALA 145 CO 0.09 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.31