#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs n PRO 2 N 0.00 1.72 -0.04 2.12 -0.02 -1.26 -4.94 135.00 132.58 2kfs n PRO 2 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2kfs n PRO 2 Cb 0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 2kfs n PRO 2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfs n GLY 3 N 5.65 0.18 3.74 -1.23 0.00 -1.26 -5.01 105.19 107.26 2kfs n GLY 3 Ca 0.32 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2kfs n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kfs s ARG 4 N 0.71 4.30 -0.14 1.61 3.52 -1.26 -5.02 118.95 122.68 2kfs s ARG 4 Ca 0.00 2.20 0.02 0.00 -0.13 0.00 0.00 55.73 57.82 2kfs s ARG 4 Cb 0.00 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2kfs s ARG 4 CO 0.00 -0.39 -0.19 0.00 -0.81 0.00 0.00 175.30 173.90 2kfs s ALA 5 N 0.31 2.34 1.00 6.12 0.00 -1.26 -5.13 121.76 125.14 2kfs s ALA 5 Ca 0.60 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2kfs s ALA 5 Cb -0.40 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2kfs s ALA 5 CO 0.39 0.04 0.00 -0.35 0.00 0.00 0.00 175.76 175.84 2kfs n PRO 6 N 3.94 -0.12 0.00 0.00 -0.04 -1.26 -5.10 135.00 132.42 2kfs n PRO 6 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2kfs n PRO 6 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2kfs n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 7 N 4.48 0.74 3.41 0.55 0.00 -1.26 -5.12 105.19 107.99 2kfs n GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.00 -0.49 0.15 1.61 0.15 -1.26 -5.15 113.70 107.71 2kfs s SER 8 Ca 0.00 0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.61 2kfs s SER 8 Cb 0.00 0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 64.77 2kfs s SER 8 CO 0.00 -0.81 0.59 -0.89 1.20 0.00 0.00 173.24 173.32 2kfs s THR 9 N -2.93 4.78 0.52 6.45 2.01 -1.26 -5.08 115.64 120.13 2kfs s THR 9 Ca -0.03 0.99 0.03 0.00 0.31 0.00 0.00 61.69 62.99 2kfs s THR 9 Cb -0.00 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.75 2kfs s THR 9 CO -0.06 0.30 0.73 -0.76 -0.69 0.00 0.00 174.62 174.13 2kfs s LEU 10 N -1.80 3.37 0.00 4.42 1.43 -1.26 -5.12 118.68 119.72 2kfs s LEU 10 Ca 0.37 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2kfs s LEU 10 Cb -0.16 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2kfs s LEU 10 CO 0.19 -1.05 0.33 0.00 0.23 0.00 0.00 176.35 176.06 2kfs n ALA 11 N -2.22 0.06 -2.56 4.21 0.00 -1.26 -5.07 120.51 113.67 2kfs n ALA 11 Ca 0.08 -1.42 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 2kfs n ALA 11 Cb 0.59 1.15 -0.00 0.00 0.00 0.00 0.00 19.45 21.19 2kfs n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kfs s ARG 12 N -2.82 3.91 -0.81 0.00 1.81 -1.26 -4.77 118.95 115.01 2kfs s ARG 12 Ca 0.27 -1.93 0.01 0.00 -1.72 0.00 0.00 55.73 52.36 2kfs s ARG 12 Cb 0.00 -5.52 0.20 0.00 -0.45 0.00 0.00 34.95 29.18 2kfs s ARG 12 CO 0.19 -2.33 0.65 0.08 -0.68 0.00 0.00 175.30 173.21 2kfs s VAL 13 N 4.55 3.76 0.00 3.52 1.01 -1.26 -4.94 120.40 127.05 2kfs s VAL 13 Ca 0.54 -3.97 0.00 0.00 0.00 0.00 0.00 61.98 58.56 2kfs s VAL 13 Cb 0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2kfs s VAL 13 CO 0.08 -1.04 0.00 0.61 0.00 0.00 0.00 175.10 174.74 2kfs n GLY 14 N 2.27 3.19 3.79 4.51 0.00 -1.25 -4.86 105.19 112.83 2kfs n GLY 14 Ca 0.20 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2kfs n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 15 N 1.56 7.08 -0.15 1.61 1.04 -1.25 -4.45 113.70 119.14 2kfs s SER 15 Ca 0.00 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 57.53 2kfs s SER 15 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2kfs s SER 15 CO 0.00 0.19 0.48 -0.63 0.98 0.00 0.00 173.24 174.26 2kfs s ILE 16 N -0.71 5.17 0.30 -1.02 1.09 -1.26 -5.00 121.20 119.77 2kfs s ILE 16 Ca 0.31 0.94 -0.29 0.00 -1.10 0.00 0.00 60.65 60.50 2kfs s ILE 16 Cb -0.19 -3.82 -0.13 0.00 -1.06 0.00 0.00 42.46 37.26 2kfs s ILE 16 CO 0.19 0.28 1.38 -2.65 -0.10 0.00 0.00 174.94 174.04 2kfs n PRO 17 N 4.06 2.19 -2.76 2.79 -0.02 -1.26 -4.86 135.00 135.14 2kfs n PRO 17 Ca -0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2kfs n PRO 17 Cb 0.51 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2kfs n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfs s ALA 18 N -0.58 3.49 0.00 3.55 0.00 -1.26 -4.73 121.76 122.23 2kfs s ALA 18 Ca 0.61 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kfs s ALA 18 Cb -0.58 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2kfs s ALA 18 CO 0.56 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2kfs n GLY 19 N 3.26 0.40 3.60 0.00 0.00 -1.26 -4.50 105.19 106.69 2kfs n GLY 19 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.22 6.09 0.45 1.61 2.15 -1.26 -3.64 116.67 121.86 2kfs s ASP 20 Ca 0.00 0.08 -0.23 0.00 0.43 0.00 0.00 52.55 52.83 2kfs s ASP 20 Cb 0.00 -2.14 -0.08 0.00 -0.30 0.00 0.00 42.92 40.40 2kfs s ASP 20 CO 0.00 -0.06 1.15 -0.62 -0.17 0.00 0.00 175.17 175.46 2kfs s ASP 21 N 1.63 6.27 -0.00 -0.34 2.15 -1.18 -4.63 116.67 120.57 2kfs s ASP 21 Ca 0.09 2.26 0.04 0.00 0.43 0.00 0.00 52.55 55.37 2kfs s ASP 21 Cb -0.16 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 2kfs s ASP 21 CO 0.10 -0.85 0.15 0.52 -0.17 0.00 0.00 175.17 174.92 2kfs n VAL 22 N -0.41 0.00 -2.43 1.11 0.31 -1.26 -5.03 118.33 110.62 2kfs n VAL 22 Ca 0.07 -0.34 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 2kfs n VAL 22 Cb 0.48 0.88 0.05 0.00 -0.91 0.00 0.00 33.84 34.34 2kfs n VAL 22 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kfs s LEU 23 N -2.41 3.06 0.03 7.52 0.05 -1.26 -4.93 118.68 120.75 2kfs s LEU 23 Ca 0.01 0.26 -0.00 0.00 0.05 0.00 0.00 54.13 54.44 2kfs s LEU 23 Cb 0.03 -3.02 -0.04 0.00 -2.05 0.00 0.00 46.19 41.10 2kfs s LEU 23 CO 0.16 -1.34 0.16 -0.62 -0.55 0.00 0.00 176.35 174.16 2kfs s ASP 24 N -4.46 6.14 0.63 1.48 -1.08 -1.26 -4.99 116.67 113.13 2kfs s ASP 24 Ca 0.58 0.23 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 2kfs s ASP 24 Cb -0.11 -1.85 1.35 0.00 -1.46 0.00 0.00 42.92 40.86 2kfs s ASP 24 CO 0.42 0.21 1.77 -0.65 0.52 0.00 0.00 175.17 177.44 2kfs h PRO 25 N 3.49 0.00 -0.16 4.34 0.11 -2.01 0.11 132.00 137.88 2kfs h PRO 25 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2kfs h PRO 25 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 25 CO 0.70 0.00 -0.14 0.22 -0.21 0.00 0.00 178.00 178.57 2kfs h ASP 26 N 0.00 0.24 -3.01 -2.05 1.82 -2.05 -3.40 116.42 107.96 2kfs h ASP 26 Ca 0.12 -0.05 -0.54 0.00 -0.39 0.00 0.00 57.03 56.16 2kfs h ASP 26 Cb 1.16 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 2kfs h ASP 26 CO -0.00 0.41 0.74 -1.61 -1.61 0.00 0.00 179.24 177.17 2kfs s GLU 27 N -4.70 4.33 0.63 0.28 8.01 0.38 -5.01 118.70 122.63 2kfs s GLU 27 Ca -0.05 1.85 -0.15 0.00 0.01 0.00 0.00 54.97 56.62 2kfs s GLU 27 Cb 0.15 -3.51 -0.01 0.00 -4.31 0.00 0.00 34.13 26.45 2kfs s GLU 27 CO 0.74 -0.48 1.09 -2.14 0.01 0.00 0.00 175.26 174.48 2kfs s PRO 28 N 2.04 2.99 0.24 0.39 0.02 -1.26 -4.86 135.00 134.56 2kfs s PRO 28 Ca 0.60 1.33 0.01 0.00 0.02 0.00 0.00 61.00 62.96 2kfs s PRO 28 Cb -0.29 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 2kfs s PRO 28 CO 0.26 -1.09 0.10 0.95 -0.33 0.00 0.00 177.00 176.88 2kfs s THR 29 N -2.37 0.41 0.29 0.99 -4.23 -1.26 -1.53 115.64 107.94 2kfs s THR 29 Ca 0.66 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 2kfs s THR 29 Cb -0.19 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2kfs s THR 29 CO 0.40 -0.04 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.96 2kfs s TYR 30 N -3.86 2.32 0.09 3.99 2.02 0.14 -4.73 117.35 117.33 2kfs s TYR 30 Ca 0.37 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 2kfs s TYR 30 Cb 0.08 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 2kfs s TYR 30 CO 0.12 0.69 -0.08 0.34 -1.57 0.00 0.00 175.55 175.05 2kfs s ASP 31 N -3.53 1.26 0.13 2.29 -1.08 -1.26 -0.41 116.67 114.07 2kfs s ASP 31 Ca 0.31 -0.87 -0.22 0.00 -0.52 0.00 0.00 52.55 51.24 2kfs s ASP 31 Cb -0.04 0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.45 2kfs s ASP 31 CO 0.15 -0.34 1.67 -0.07 0.52 0.00 0.00 175.17 177.10 2kfs h LEU 32 N 3.38 -0.46 -1.82 -1.34 3.38 -1.95 0.31 115.31 116.81 2kfs h LEU 32 Ca -0.36 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kfs h LEU 32 Cb 1.18 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2kfs h LEU 32 CO 0.57 -0.19 0.09 1.55 0.09 0.00 0.00 178.44 180.55 2kfs h PRO 33 N -0.18 0.21 -0.25 1.13 0.13 -1.97 0.33 132.00 131.40 2kfs h PRO 33 Ca 0.10 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 2kfs h PRO 33 Cb 0.32 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 2kfs h PRO 33 CO -0.25 0.15 -0.51 -0.09 -0.23 0.00 0.00 178.00 177.07 2kfs h ARG 34 N 0.21 0.69 -0.34 0.86 9.65 -1.46 -0.07 114.38 123.92 2kfs h ARG 34 Ca 0.06 -0.41 -0.14 0.00 -1.10 0.00 0.00 59.98 58.39 2kfs h ARG 34 Cb -0.00 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2kfs h ARG 34 CO -0.01 1.03 -0.34 0.28 2.80 0.00 0.00 179.97 183.73 2kfs h VAL 35 N 0.54 1.28 -0.72 0.20 2.07 0.16 0.17 116.25 119.95 2kfs h VAL 35 Ca 0.02 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.06 2kfs h VAL 35 Cb 1.07 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2kfs h VAL 35 CO 0.10 0.49 0.48 0.00 0.02 0.00 0.00 177.57 178.66 2kfs h ALA 36 N 0.97 1.51 -0.15 1.67 0.00 -0.75 0.18 119.26 122.68 2kfs h ALA 36 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 36 Cb 0.88 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kfs h ALA 36 CO 0.08 0.45 -0.09 1.49 0.00 0.00 0.00 179.25 181.18 2kfs h GLU 37 N 0.96 0.33 -0.26 0.00 4.57 -0.44 0.10 114.58 119.85 2kfs h GLU 37 Ca 0.27 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2kfs h GLU 37 Cb -0.08 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2kfs h GLU 37 CO -0.06 0.66 0.06 1.25 -1.18 0.00 0.00 179.01 179.74 2kfs h LEU 38 N -0.01 0.39 0.00 1.64 5.85 -0.43 -2.95 115.31 119.80 2kfs h LEU 38 Ca 0.03 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kfs h LEU 38 Cb 0.57 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kfs h LEU 38 CO 0.03 0.53 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.89 2kfs h LEU 39 N 0.24 0.00 0.71 2.25 3.38 -0.75 -3.48 115.31 117.67 2kfs h LEU 39 Ca 0.08 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2kfs h LEU 39 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kfs h LEU 39 CO 0.00 0.03 -0.13 0.61 0.09 0.00 0.00 178.44 179.04 2kfs n GLY 40 N 1.21 0.21 3.41 0.83 0.00 0.28 -5.04 105.19 106.09 2kfs n GLY 40 Ca 0.02 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.26 1.98 0.74 1.61 -7.23 -0.71 -5.02 120.40 109.51 2kfs s VAL 41 Ca 0.00 -2.26 -0.12 0.00 -1.81 0.00 0.00 61.98 57.79 2kfs s VAL 41 Cb 0.00 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.75 2kfs s VAL 41 CO 0.00 -0.46 1.10 -2.16 -0.31 0.00 0.00 175.10 173.26 2kfs s PRO 42 N -3.61 2.41 0.43 4.82 0.04 -1.26 -4.39 135.00 133.43 2kfs s PRO 42 Ca 0.27 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.62 2kfs s PRO 42 Cb -0.01 -1.91 0.92 0.00 0.04 0.00 0.00 34.50 33.54 2kfs s PRO 42 CO 0.11 -1.53 2.07 0.28 0.04 0.00 0.00 177.00 177.97 2kfs h VAL 43 N -0.81 1.09 -0.95 -0.36 2.07 -1.94 -1.32 116.25 114.04 2kfs h VAL 43 Ca -0.44 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2kfs h VAL 43 Cb 1.23 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2kfs h VAL 43 CO 0.52 0.09 0.61 0.77 0.02 0.00 0.00 177.57 179.58 2kfs h SER 44 N 0.45 1.11 0.10 0.57 4.64 -1.98 0.24 113.55 118.67 2kfs h SER 44 Ca 0.12 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 2kfs h SER 44 Cb -0.03 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 2kfs h SER 44 CO -0.02 0.82 -0.41 0.50 -0.87 0.00 0.00 176.83 176.84 2kfs h LYS 45 N 1.29 0.40 -0.46 4.77 3.64 -1.63 -0.11 116.57 124.47 2kfs h LYS 45 Ca 0.34 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2kfs h LYS 45 Cb -0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2kfs h LYS 45 CO -0.07 0.75 0.17 0.28 -2.27 0.00 0.00 179.45 178.31 2kfs h VAL 46 N 0.33 1.21 -0.55 2.00 2.07 -0.78 -1.62 116.25 118.92 2kfs h VAL 46 Ca 0.03 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2kfs h VAL 46 Cb 0.87 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2kfs h VAL 46 CO 0.07 0.25 0.21 0.00 0.02 0.00 0.00 177.57 178.12 2kfs h ALA 47 N 1.02 1.33 -0.33 1.67 0.00 -0.19 -2.11 119.26 120.66 2kfs h ALA 47 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 47 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kfs h ALA 47 CO -0.01 0.49 -0.12 1.96 0.00 0.00 0.00 179.25 181.57 2kfs h GLN 48 N 0.79 0.56 -0.63 0.00 1.08 -0.48 0.15 115.11 116.57 2kfs h GLN 48 Ca 0.19 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2kfs h GLN 48 Cb 0.18 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2kfs h GLN 48 CO -0.02 0.68 0.30 1.96 -0.95 0.00 0.00 178.83 180.79 2kfs h GLN 49 N 0.52 0.92 -0.38 1.46 4.20 -0.67 -0.89 115.11 120.27 2kfs h GLN 49 Ca 0.09 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2kfs h GLN 49 Cb 0.52 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2kfs h GLN 49 CO 0.03 0.75 0.05 1.25 -0.67 0.00 0.00 178.83 180.23 2kfs h LEU 50 N 0.88 0.54 -1.32 1.46 5.85 -0.92 0.13 115.31 121.92 2kfs h LEU 50 Ca 0.22 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2kfs h LEU 50 Cb 0.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2kfs h LEU 50 CO -0.03 0.57 -0.34 0.03 -0.34 0.00 0.00 178.44 178.34 2kfs h ARG 51 N 0.56 0.00 -0.41 1.25 2.47 0.25 -2.89 114.38 115.61 2kfs h ARG 51 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2kfs h ARG 51 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2kfs h ARG 51 CO 0.00 0.34 0.00 -0.85 0.56 0.00 0.00 179.97 180.02 2kfs n GLU 52 N -4.05 2.44 -3.02 0.04 0.28 -0.43 -3.95 120.64 111.95 2kfs n GLU 52 Ca -0.02 -2.24 -0.12 0.00 -0.16 0.00 0.00 57.16 54.62 2kfs n GLU 52 Cb 0.38 -1.47 0.05 0.00 1.43 0.00 0.00 31.44 31.83 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 1.33 0.07 0.01 -1.84 0.00 -0.71 -4.93 105.19 99.13 2kfs n GLY 53 Ca 0.18 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.54 0.00 -3.77 1.61 -0.00 0.38 -4.74 115.22 105.16 2kfs n HIS 54 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.57 2kfs n HIS 54 Cb 0.55 -0.27 -0.07 0.00 -0.00 0.00 0.00 29.99 30.21 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 -3.74 1.03 0.03 0.27 2.96 -1.22 -4.54 118.68 113.46 2kfs s LEU 55 Ca -0.02 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2kfs s LEU 55 Cb 0.11 1.31 -0.02 0.00 0.50 0.00 0.00 46.19 48.09 2kfs s LEU 55 CO 0.69 -0.72 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.24 2kfs s VAL 56 N -3.44 0.48 0.22 1.68 1.01 -1.26 -4.30 120.40 114.80 2kfs s VAL 56 Ca 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2kfs s VAL 56 Cb 0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2kfs s VAL 56 CO -0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 175.10 174.65 2kfs s ALA 57 N -1.03 2.06 0.17 5.51 0.00 -1.26 -4.68 121.76 122.53 2kfs s ALA 57 Ca -0.07 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.18 2kfs s ALA 57 Cb -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2kfs s ALA 57 CO 0.00 0.01 0.04 0.14 0.00 0.00 0.00 175.76 175.94 2kfs s VAL 58 N -3.03 0.45 -0.23 0.00 -7.23 -0.03 -4.66 120.40 105.68 2kfs s VAL 58 Ca 0.24 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2kfs s VAL 58 Cb 0.01 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2kfs s VAL 58 CO 0.08 -0.40 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.77 2kfs s ARG 59 N -3.98 2.81 -0.16 4.82 3.52 -1.24 -0.18 118.95 124.53 2kfs s ARG 59 Ca 0.26 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 2kfs s ARG 59 Cb 0.07 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 2kfs s ARG 59 CO 0.05 -0.37 -0.16 -0.98 -0.81 0.00 0.00 175.30 173.03 2kfs s ARG 60 N 1.29 3.18 -1.67 5.12 1.04 0.13 -3.10 118.95 124.94 2kfs s ARG 60 Ca 0.00 -0.76 0.00 0.00 -1.04 0.00 0.00 55.73 53.93 2kfs s ARG 60 Cb -0.16 -2.63 0.00 0.00 -2.04 0.00 0.00 34.95 30.12 2kfs s ARG 60 CO -0.07 -0.03 0.00 0.00 -0.04 0.00 0.00 175.30 175.17 2kfs n ALA 61 N 4.17 -0.37 0.00 7.88 0.00 -1.26 -0.61 120.51 130.32 2kfs n ALA 61 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kfs n ALA 61 Cb 0.51 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.46 2.47 3.88 0.00 0.00 -1.26 -5.08 105.19 104.75 2kfs n GLY 62 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.36 2.23 -0.23 -0.02 0.00 0.22 -5.03 107.32 102.13 2kfs s GLY 63 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 44.72 43.98 2kfs s GLY 63 CO 0.00 -0.40 0.32 0.54 0.00 0.00 0.00 173.10 173.56 2kfs s VAL 64 N -1.23 5.24 0.23 1.40 0.11 -1.26 0.22 120.40 125.11 2kfs s VAL 64 Ca 0.24 0.52 0.01 0.00 -2.93 0.00 0.00 61.98 59.83 2kfs s VAL 64 Cb -0.13 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 2kfs s VAL 64 CO 0.14 0.26 0.08 0.68 -3.33 0.00 0.00 175.10 172.92 2kfs s VAL 65 N 1.39 0.50 -0.06 2.04 -7.23 0.74 -4.16 120.40 113.62 2kfs s VAL 65 Ca 0.15 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2kfs s VAL 65 Cb -0.15 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 2kfs s VAL 65 CO 0.07 -0.12 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.88 2kfs s ILE 66 N -3.80 2.29 0.31 -0.62 -1.09 0.45 -0.85 121.20 117.89 2kfs s ILE 66 Ca 0.34 -0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 57.49 2kfs s ILE 66 Cb 0.07 -1.85 -0.10 0.00 -1.58 0.00 0.00 42.46 39.00 2kfs s ILE 66 CO 0.11 0.57 1.25 -2.84 -1.23 0.00 0.00 174.94 172.80 2kfs s PRO 67 N -0.24 4.43 0.37 2.79 0.02 -1.26 0.26 135.00 141.38 2kfs s PRO 67 Ca -0.01 2.10 0.11 0.00 0.02 0.00 0.00 61.00 63.22 2kfs s PRO 67 Cb -0.13 -3.11 0.88 0.00 0.02 0.00 0.00 34.50 32.16 2kfs s PRO 67 CO 0.03 -0.09 1.88 0.37 -0.33 0.00 0.00 177.00 178.86 2kfs h GLN 68 N 3.59 0.60 0.00 5.54 5.75 -1.56 -1.64 115.11 127.40 2kfs h GLN 68 Ca -0.48 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 2kfs h GLN 68 Cb 1.22 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2kfs h GLN 68 CO 0.66 0.40 0.00 1.33 -2.65 0.00 0.00 178.83 178.57 2kfs n VAL 69 N -4.54 0.31 1.24 2.39 0.24 -1.26 -1.31 118.33 115.40 2kfs n VAL 69 Ca 0.16 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.67 2kfs n VAL 69 Cb 0.48 -0.82 0.42 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.16 0.00 -4.35 6.34 3.01 -0.62 -4.81 117.46 115.87 2kfs n PHE 70 Ca 0.09 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.33 2kfs n PHE 70 Cb 0.09 -0.17 -0.11 0.00 -0.01 0.00 0.00 39.48 39.28 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 -2.59 1.91 0.65 1.38 0.40 -0.43 -3.27 117.98 116.03 2kfs s PHE 71 Ca 0.23 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 2kfs s PHE 71 Cb 0.19 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.80 2kfs s PHE 71 CO 0.54 0.38 1.00 0.95 0.70 0.00 0.00 175.22 178.79 2kfs s THR 72 N -2.06 3.48 -0.23 0.64 -4.23 0.11 -4.86 115.64 108.49 2kfs s THR 72 Ca 0.17 0.21 0.26 0.00 -1.18 0.00 0.00 61.69 61.16 2kfs s THR 72 Cb -0.06 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.63 2kfs s THR 72 CO 0.07 -0.51 1.80 -0.55 -0.54 0.00 0.00 174.62 174.89 2kfs h ASN 73 N -0.43 0.00 0.36 3.99 7.08 -1.91 -0.34 115.58 124.32 2kfs h ASN 73 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2kfs h ASN 73 Cb 1.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 2kfs h ASN 73 CO 0.62 0.00 0.00 -1.20 -2.08 0.00 0.00 177.43 174.77 2kfs n SER 74 N -2.46 0.00 0.00 6.14 7.64 -1.26 -4.88 113.62 118.80 2kfs n SER 74 Ca 0.01 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.45 2kfs n SER 74 Cb 0.19 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.12 0.56 3.62 0.23 0.00 -0.14 -5.05 105.19 105.53 2kfs n GLY 75 Ca 0.17 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 2kfs n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfs s GLN 76 N -1.84 2.16 0.24 1.61 -0.21 -1.25 -4.90 119.66 115.47 2kfs s GLN 76 Ca 0.00 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 53.54 2kfs s GLN 76 Cb 0.00 -2.06 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 2kfs s GLN 76 CO 0.00 0.29 1.10 0.08 -2.12 0.00 0.00 175.29 174.65 2kfs s VAL 77 N -2.40 3.63 0.18 1.09 1.01 -1.26 0.08 120.40 122.73 2kfs s VAL 77 Ca 0.32 1.53 -0.32 0.00 0.00 0.00 0.00 61.98 63.52 2kfs s VAL 77 Cb -0.05 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 2kfs s VAL 77 CO 0.19 0.32 1.67 -0.69 0.00 0.00 0.00 175.10 176.60 2kfs s VAL 78 N -0.77 2.30 0.58 2.92 1.01 -1.20 -4.79 120.40 120.45 2kfs s VAL 78 Ca 0.47 0.19 0.27 0.00 0.00 0.00 0.00 61.98 62.90 2kfs s VAL 78 Cb -0.31 -3.12 0.35 0.00 0.00 0.00 0.00 36.38 33.30 2kfs s VAL 78 CO 0.38 0.01 2.14 0.07 0.00 0.00 0.00 175.10 177.71 2kfs h LYS 79 N 6.97 0.00 -0.50 2.72 2.10 -1.95 0.13 116.57 126.04 2kfs h LYS 79 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kfs h LYS 79 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2kfs h LYS 79 CO 0.94 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 178.82 2kfs n SER 80 N -3.95 3.51 0.27 7.07 7.64 -1.26 -4.54 113.62 122.36 2kfs n SER 80 Ca 0.00 -1.98 -0.16 0.00 1.01 0.00 0.00 58.87 57.74 2kfs n SER 80 Cb 0.25 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 4.26 -0.54 -2.37 -3.43 5.85 -1.33 -2.64 115.31 115.10 2kfs h LEU 81 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2kfs h LEU 81 Cb 0.95 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2kfs h LEU 81 CO 0.00 -0.34 -0.03 1.55 -0.34 0.00 0.00 178.44 179.27 2kfs h PRO 82 N -0.69 0.00 -0.33 5.25 0.13 -1.80 -2.60 132.00 131.95 2kfs h PRO 82 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2kfs h PRO 82 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2kfs h PRO 82 CO 0.11 0.03 -0.01 0.78 -0.23 0.00 0.00 178.00 178.68 2kfs h GLY 83 N 0.57 0.65 1.18 1.56 0.00 -1.75 0.52 103.07 105.78 2kfs h GLY 83 Ca -0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 2kfs h GLY 83 CO 0.00 0.45 -0.12 0.17 0.00 0.00 0.00 176.54 177.04 2kfs h LEU 84 N 0.40 0.96 -1.11 3.11 8.10 -1.27 -2.59 115.31 122.91 2kfs h LEU 84 Ca 0.09 -0.31 -0.04 0.00 0.11 0.00 0.00 57.88 57.73 2kfs h LEU 84 Cb 0.47 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 40.40 2kfs h LEU 84 CO 0.02 1.08 0.21 -0.07 -4.11 0.00 0.00 178.44 175.57 2kfs h LEU 85 N 0.86 0.77 -0.19 0.17 3.38 -1.36 -2.67 115.31 116.26 2kfs h LEU 85 Ca 0.13 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 85 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2kfs h LEU 85 CO 0.05 0.70 0.02 0.74 0.09 0.00 0.00 178.44 180.04 2kfs h THR 86 N 0.82 0.90 -0.30 0.22 2.02 -0.48 0.34 112.91 116.44 2kfs h THR 86 Ca 0.19 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 2kfs h THR 86 Cb 0.19 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2kfs h THR 86 CO -0.02 0.02 -0.13 -0.29 0.37 0.00 0.00 175.52 175.47 2kfs h ILE 87 N 0.10 1.29 -0.58 3.11 -0.00 -1.56 -1.80 117.51 118.07 2kfs h ILE 87 Ca 0.09 -1.21 -0.11 0.00 -0.00 0.00 0.00 64.86 63.63 2kfs h ILE 87 Cb 0.09 1.45 -0.02 0.00 -0.00 0.00 0.00 36.82 38.34 2kfs h ILE 87 CO -0.13 0.39 -0.05 -0.07 -0.00 0.00 0.00 178.15 178.28 2kfs h LEU 88 N 0.37 1.05 -0.78 2.19 3.38 -1.15 -1.33 115.31 119.04 2kfs h LEU 88 Ca 0.07 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2kfs h LEU 88 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kfs h LEU 88 CO 0.04 1.13 -0.31 0.45 0.09 0.00 0.00 178.44 179.84 2kfs h HIS 89 N 0.95 0.65 -0.09 1.13 3.86 -0.32 0.97 115.15 122.30 2kfs h HIS 89 Ca 0.16 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2kfs h HIS 89 Cb 0.62 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2kfs h HIS 89 CO 0.04 0.81 -0.33 0.22 0.86 0.00 0.00 177.93 179.54 2kfs h ASP 90 N 0.49 0.18 0.06 2.45 3.58 -0.99 -1.91 116.42 120.27 2kfs h ASP 90 Ca 0.06 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kfs h ASP 90 Cb 0.78 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kfs h ASP 90 CO 0.06 0.50 -0.01 0.61 -2.88 0.00 0.00 179.24 177.52 2kfs n GLY 91 N -0.43 -0.68 2.11 -0.78 0.00 -0.53 -4.91 105.19 99.97 2kfs n GLY 91 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 1.10 0.29 3.65 -0.02 0.00 -0.70 -5.01 105.19 104.50 2kfs n GLY 92 Ca 0.21 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.63 3.34 1.01 1.61 2.02 0.25 -5.01 117.35 117.94 2kfs s TYR 93 Ca 0.07 0.56 -0.15 0.00 -0.37 0.00 0.00 57.07 57.18 2kfs s TYR 93 Cb -0.03 -2.54 0.20 0.00 -0.40 0.00 0.00 41.96 39.19 2kfs s TYR 93 CO 0.09 -0.07 1.16 -0.98 -1.57 0.00 0.00 175.55 174.18 2kfs s ARG 94 N 1.53 0.28 0.22 -0.62 1.70 -1.26 -4.50 118.95 116.30 2kfs s ARG 94 Ca 0.18 0.08 -0.08 0.00 -0.47 0.00 0.00 55.73 55.44 2kfs s ARG 94 Cb -0.15 -1.76 0.33 0.00 -0.57 0.00 0.00 34.95 32.80 2kfs s ARG 94 CO 0.08 -2.74 1.74 0.38 -1.08 0.00 0.00 175.30 173.69 2kfs h ASP 95 N -1.88 0.23 -0.68 -2.89 2.03 -1.89 -0.20 116.42 111.14 2kfs h ASP 95 Ca -0.48 0.09 -0.06 0.00 -0.73 0.00 0.00 57.03 55.85 2kfs h ASP 95 Cb 1.30 0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 2kfs h ASP 95 CO 0.49 0.12 0.20 0.74 -1.03 0.00 0.00 179.24 179.76 2kfs h THR 96 N 0.42 1.26 -0.43 1.15 2.02 -1.87 -2.54 112.91 112.91 2kfs h THR 96 Ca 0.34 -0.91 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 2kfs h THR 96 Cb 0.45 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kfs h THR 96 CO -0.34 0.35 -0.13 -0.33 0.37 0.00 0.00 175.52 175.43 2kfs h GLU 97 N 1.01 0.80 -0.18 6.66 4.39 -1.44 0.34 114.58 126.16 2kfs h GLU 97 Ca 0.22 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kfs h GLU 97 Cb 0.33 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2kfs h GLU 97 CO -0.00 0.89 0.11 0.82 -1.16 0.00 0.00 179.01 179.67 2kfs h ILE 98 N 0.72 1.08 0.00 3.13 1.08 -0.85 -2.25 117.51 120.41 2kfs h ILE 98 Ca 0.12 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2kfs h ILE 98 Cb 0.63 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 2kfs h ILE 98 CO 0.04 0.07 -0.17 0.24 -0.69 0.00 0.00 178.15 177.65 2kfs h MET 99 N 0.21 0.00 0.03 2.37 2.86 -1.30 -3.19 114.93 115.92 2kfs h MET 99 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2kfs h MET 99 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2kfs h MET 99 CO -0.01 0.17 -0.04 -0.09 1.06 0.00 0.00 176.91 178.00 2kfs h ARG 100 N 0.00 -0.06 -0.08 1.72 2.43 -0.29 0.15 114.38 118.25 2kfs h ARG 100 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2kfs h ARG 100 Cb 0.84 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2kfs h ARG 100 CO 0.02 -0.04 -0.50 0.11 -1.51 0.00 0.00 179.97 178.05 2kfs h TRP 101 N -0.07 0.24 -0.91 2.20 5.08 -1.71 -3.15 115.95 117.64 2kfs h TRP 101 Ca -0.00 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.87 2kfs h TRP 101 Cb 0.06 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.13 2kfs h TRP 101 CO -0.12 0.66 0.51 -0.07 -1.28 0.00 0.00 178.44 178.15 2kfs h LEU 102 N 0.16 1.12 0.00 0.11 3.38 -1.50 -3.01 115.31 115.57 2kfs h LEU 102 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kfs h LEU 102 Cb 0.95 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kfs h LEU 102 CO 0.08 0.88 -0.90 0.49 0.09 0.00 0.00 178.44 179.08 2kfs n PHE 103 N -4.34 0.11 -2.87 1.13 3.01 0.02 -2.68 117.46 111.85 2kfs n PHE 103 Ca 0.10 0.03 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 2kfs n PHE 103 Cb 0.09 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.25 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -3.10 4.95 0.18 4.37 2.01 -1.14 -4.69 115.64 118.22 2kfs s THR 104 Ca 0.07 1.76 -0.32 0.00 0.31 0.00 0.00 61.69 63.51 2kfs s THR 104 Cb 0.16 -4.19 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 2kfs s THR 104 CO 0.80 0.19 1.73 -2.65 -0.69 0.00 0.00 174.62 173.99 2kfs n PRO 105 N 3.95 2.69 -3.38 4.92 -0.02 -1.26 -4.37 135.00 137.53 2kfs n PRO 105 Ca 0.03 0.97 -0.40 0.00 -2.02 0.00 0.00 63.50 62.08 2kfs n PRO 105 Cb 0.51 -2.82 -0.09 0.00 -0.02 0.00 0.00 33.50 31.08 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 1.47 6.24 0.65 2.55 -1.08 -0.39 -4.82 116.67 121.29 2kfs s ASP 106 Ca 0.77 0.13 0.43 0.00 -0.52 0.00 0.00 52.55 53.37 2kfs s ASP 106 Cb -0.53 -2.21 2.30 0.00 -1.46 0.00 0.00 42.92 41.02 2kfs s ASP 106 CO 0.34 -0.25 2.33 1.55 0.52 0.00 0.00 175.17 179.66 2kfs h PRO 107 N 8.27 0.00 -0.35 4.34 0.13 -1.92 -0.74 132.00 141.73 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 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kfs h PRO 107 CO 0.67 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.87 2kfs n SER 108 N -3.12 3.36 -4.45 1.44 7.64 -1.26 -4.69 113.62 112.55 2kfs n SER 108 Ca -0.03 -1.97 -0.35 0.00 1.01 0.00 0.00 58.87 57.53 2kfs n SER 108 Cb 0.10 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.45 3.33 -0.18 -3.43 2.96 -0.28 -5.05 118.68 114.58 2kfs s LEU 109 Ca 0.36 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2kfs s LEU 109 Cb 0.22 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 45.10 2kfs s LEU 109 CO 0.30 0.04 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.46 2kfs s THR 110 N 1.18 0.89 0.21 3.68 2.01 -1.26 -1.67 115.64 120.68 2kfs s THR 110 Ca 0.03 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2kfs s THR 110 Cb -0.14 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 2kfs s THR 110 CO 0.02 -0.02 -0.04 0.27 -0.69 0.00 0.00 174.62 174.16 2kfs s ILE 111 N 1.71 1.14 0.29 1.82 -4.36 -0.40 -4.89 121.20 116.52 2kfs s ILE 111 Ca -0.00 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 2kfs s ILE 111 Cb -0.16 -2.21 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 2kfs s ILE 111 CO -0.07 -0.44 0.46 0.28 0.24 0.00 0.00 174.94 175.40 2kfs s THR 112 N -3.35 5.17 0.21 8.37 -1.32 -1.26 0.45 115.64 123.91 2kfs s THR 112 Ca 0.25 -0.63 0.06 0.00 -1.21 0.00 0.00 61.69 60.16 2kfs s THR 112 Cb 0.04 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 2kfs s THR 112 CO 0.07 -0.43 -0.09 -0.60 -2.21 0.00 0.00 174.62 171.36 2kfs s ARG 113 N -4.07 1.29 -0.22 7.08 3.52 -0.43 -4.88 118.95 121.25 2kfs s ARG 113 Ca 0.38 -1.60 -0.31 0.00 -0.13 0.00 0.00 55.73 54.06 2kfs s ARG 113 Cb -0.10 -0.88 -0.08 0.00 -1.56 0.00 0.00 34.95 32.34 2kfs s ARG 113 CO 0.33 0.07 2.16 -0.25 -0.81 0.00 0.00 175.30 176.79 2kfs n ASP 114 N -0.37 3.05 0.00 -2.12 8.00 -1.26 -0.56 116.55 123.28 2kfs n ASP 114 Ca -0.08 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2kfs n ASP 114 Cb 0.62 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfs n GLY 115 N 5.72 1.00 2.87 0.44 0.00 -1.26 -4.98 105.19 108.98 2kfs n GLY 115 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.05 4.33 0.04 1.61 0.01 0.27 -4.92 113.70 112.00 2kfs s SER 116 Ca 0.00 -1.83 0.28 0.00 1.31 0.00 0.00 55.95 55.71 2kfs s SER 116 Cb 0.00 -1.22 1.03 0.00 0.21 0.00 0.00 66.02 66.05 2kfs s SER 116 CO 0.00 -0.39 1.82 0.54 0.41 0.00 0.00 173.24 175.62 2kfs n ARG 117 N 4.58 0.06 -2.39 12.44 5.12 -1.26 -1.31 116.66 133.89 2kfs n ARG 117 Ca -0.00 0.04 -0.40 0.00 -1.93 0.00 0.00 57.85 55.56 2kfs n ARG 117 Cb 0.42 -1.57 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 2kfs n ARG 117 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2kfs s ASP 118 N -3.34 7.07 0.08 0.55 -4.77 -1.26 -4.93 116.67 110.06 2kfs s ASP 118 Ca 0.13 2.34 -0.25 0.00 -3.30 0.00 0.00 52.55 51.48 2kfs s ASP 118 Cb 0.17 -2.63 -0.06 0.00 -1.09 0.00 0.00 42.92 39.31 2kfs s ASP 118 CO 0.57 -0.29 0.75 0.00 0.70 0.00 0.00 175.17 176.91 2kfs s ALA 119 N -1.21 3.40 -0.25 2.11 0.00 -1.26 -4.28 121.76 120.27 2kfs s ALA 119 Ca 0.47 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 2kfs s ALA 119 Cb -0.33 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2kfs s ALA 119 CO 0.42 0.14 0.06 0.08 0.00 0.00 0.00 175.76 176.47 2kfs s VAL 120 N -0.39 4.23 0.27 0.00 1.01 0.17 -4.92 120.40 120.77 2kfs s VAL 120 Ca 0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2kfs s VAL 120 Cb -0.21 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 2kfs s VAL 120 CO 0.23 0.33 0.59 -0.44 0.00 0.00 0.00 175.10 175.81 2kfs s SER 121 N 1.60 6.58 -0.98 3.32 0.01 -1.26 -1.28 113.70 121.70 2kfs s SER 121 Ca 0.06 0.93 -0.09 0.00 1.31 0.00 0.00 55.95 58.16 2kfs s SER 121 Cb -0.15 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2kfs s SER 121 CO 0.03 -0.15 0.79 0.59 0.41 0.00 0.00 173.24 174.91 2kfs n ASN 122 N -0.47 -6.31 -4.58 2.44 3.02 -0.67 -4.99 115.26 103.70 2kfs n ASN 122 Ca 0.00 -0.68 -0.25 0.00 -0.03 0.00 0.00 54.58 53.62 2kfs n ASN 122 Cb 0.53 -4.22 -0.09 0.00 -0.61 0.00 0.00 39.78 35.39 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 -3.27 2.98 0.20 5.41 0.00 -1.25 -4.60 121.76 121.24 2kfs s ALA 123 Ca 0.30 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2kfs s ALA 123 Cb -0.08 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.26 2kfs s ALA 123 CO 0.80 0.40 1.19 -0.98 0.00 0.00 0.00 175.76 177.16 2kfs s ARG 124 N -3.11 4.51 0.65 0.00 3.03 -1.26 -1.26 118.95 121.51 2kfs s ARG 124 Ca 0.27 1.87 0.35 0.00 2.03 0.00 0.00 55.73 60.25 2kfs s ARG 124 Cb -0.08 -3.23 1.89 0.00 -1.03 0.00 0.00 34.95 32.51 2kfs s ARG 124 CO 0.16 -0.05 2.10 -1.35 -1.13 0.00 0.00 175.30 175.04 2kfs h PRO 125 N 4.98 0.00 -0.61 3.89 0.11 -1.71 -1.47 132.00 137.19 2kfs h PRO 125 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2kfs h PRO 125 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 125 CO 0.73 0.00 0.31 0.28 -0.21 0.00 0.00 178.00 179.11 2kfs h VAL 126 N 0.00 1.19 -0.11 3.15 2.07 -1.87 -1.98 116.25 118.70 2kfs h VAL 126 Ca 0.02 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 126 Cb 0.44 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2kfs h VAL 126 CO -0.00 0.22 -0.24 -0.78 0.02 0.00 0.00 177.57 176.79 2kfs h ASP 127 N 0.85 0.20 -0.23 0.57 3.58 -1.56 -2.07 116.42 117.74 2kfs h ASP 127 Ca 0.21 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 2kfs h ASP 127 Cb 0.06 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kfs h ASP 127 CO -0.03 0.45 -0.23 0.00 -2.88 0.00 0.00 179.24 176.54 2kfs h ALA 128 N 1.57 0.34 -0.14 -0.78 0.00 -1.45 -2.95 119.26 115.86 2kfs h ALA 128 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2kfs h ALA 128 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kfs h ALA 128 CO 0.04 0.31 -0.37 1.37 0.00 0.00 0.00 179.25 180.60 2kfs h LEU 129 N 0.27 0.31 -1.53 0.00 8.10 -1.01 0.27 115.31 121.72 2kfs h LEU 129 Ca 0.04 -0.12 -0.05 0.00 0.11 0.00 0.00 57.88 57.85 2kfs h LEU 129 Cb 0.79 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.91 2kfs h LEU 129 CO 0.06 0.66 -0.24 -0.74 -4.11 0.00 0.00 178.44 174.07 2kfs h HIS 130 N 0.26 0.00 -0.60 0.17 2.76 -1.40 -0.75 115.15 115.59 2kfs h HIS 130 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kfs h HIS 130 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2kfs h HIS 130 CO 0.02 0.24 0.00 0.00 -1.30 0.00 0.00 177.93 176.88 2kfs n ALA 131 N -2.48 3.23 -2.94 5.26 0.00 -0.70 -4.92 120.51 117.95 2kfs n ALA 131 Ca -0.02 -1.56 -0.22 0.00 0.00 0.00 0.00 53.44 51.64 2kfs n ALA 131 Cb 0.30 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 0.97 -1.78 -1.07 0.00 8.25 -0.29 -4.84 115.22 116.45 2kfs n HIS 132 Ca 0.25 0.42 -0.01 0.00 -0.26 0.00 0.00 57.72 58.11 2kfs n HIS 132 Cb 0.91 -4.17 0.30 0.00 1.12 0.00 0.00 29.99 28.15 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 -3.80 3.47 -0.02 -0.41 6.02 0.88 -4.69 117.38 118.84 2kfs n GLN 133 Ca -0.12 -3.06 0.23 0.00 -0.01 0.00 0.00 57.00 54.03 2kfs n GLN 133 Cb 0.62 -2.10 0.72 0.00 1.02 0.00 0.00 30.24 30.50 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 2.43 2.45 -0.99 -1.58 0.00 -1.79 -2.42 119.26 117.36 2kfs h ALA 134 Ca 0.18 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2kfs h ALA 134 Cb 2.04 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.80 2kfs h ALA 134 CO 0.57 -0.78 0.63 0.00 0.00 0.00 0.00 179.25 179.66 2kfs h ARG 135 N 0.00 1.00 0.00 0.00 3.08 -1.94 0.96 114.38 117.48 2kfs h ARG 135 Ca 0.28 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 2kfs h ARG 135 Cb 1.24 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2kfs h ARG 135 CO -0.00 0.66 -0.52 0.93 -1.07 0.00 0.00 179.97 179.97 2kfs h GLU 136 N 1.03 0.00 -0.25 0.04 4.39 -1.84 -1.92 114.58 116.03 2kfs h GLU 136 Ca 0.48 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 60.00 2kfs h GLU 136 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2kfs h GLU 136 CO -0.24 0.52 -0.53 0.28 -1.16 0.00 0.00 179.01 177.88 2kfs h VAL 137 N 0.00 1.29 -0.37 3.13 2.07 -1.09 0.11 116.25 121.38 2kfs h VAL 137 Ca -0.01 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.81 2kfs h VAL 137 Cb 1.07 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2kfs h VAL 137 CO 0.07 0.55 0.21 0.58 0.02 0.00 0.00 177.57 179.00 2kfs h VAL 138 N 0.55 1.02 -0.65 2.57 2.07 -0.69 0.40 116.25 121.52 2kfs h VAL 138 Ca 0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2kfs h VAL 138 Cb 1.14 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2kfs h VAL 138 CO 0.12 0.08 0.20 0.03 0.02 0.00 0.00 177.57 178.02 2kfs h ARG 139 N 0.42 0.99 -0.42 1.57 3.08 -1.14 -0.04 114.38 118.84 2kfs h ARG 139 Ca 0.15 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2kfs h ARG 139 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2kfs h ARG 139 CO -0.08 0.85 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.56 2kfs h ARG 140 N 0.96 0.70 -0.55 0.04 9.65 -0.21 -0.23 114.38 124.74 2kfs h ARG 140 Ca 0.21 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2kfs h ARG 140 Cb 0.27 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2kfs h ARG 140 CO -0.01 0.72 0.22 0.00 2.80 0.00 0.00 179.97 183.71 2kfs h ALA 141 N 1.33 0.71 -0.59 2.80 0.00 -0.14 -1.67 119.26 121.70 2kfs h ALA 141 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 141 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kfs h ALA 141 CO 0.02 0.31 0.38 1.96 0.00 0.00 0.00 179.25 181.93 2kfs h GLN 142 N 0.74 0.75 0.00 0.00 4.20 -0.59 -1.42 115.11 118.79 2kfs h GLN 142 Ca 0.18 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2kfs h GLN 142 Cb 0.19 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2kfs h GLN 142 CO -0.02 0.50 -0.08 0.00 -0.67 0.00 0.00 178.83 178.56 2kfs h ALA 143 N 1.23 1.53 0.10 3.87 0.00 -0.63 0.36 119.26 125.73 2kfs h ALA 143 Ca 0.23 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 2kfs h ALA 143 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kfs h ALA 143 CO -0.07 0.09 -1.31 1.98 0.00 0.00 0.00 179.25 179.95 2kfs h MET 144 N 0.00 0.22 0.14 0.00 1.85 -0.44 -3.36 114.93 113.34 2kfs h MET 144 Ca -0.00 -0.37 -0.26 0.00 -0.61 0.00 0.00 59.70 58.46 2kfs h MET 144 Cb 0.17 0.14 0.01 0.00 0.43 0.00 0.00 31.60 32.35 2kfs h MET 144 CO 0.01 1.13 -1.25 0.00 -0.40 0.00 0.00 176.91 176.40 2kfs h ALA 145 N 0.63 0.06 0.00 0.39 0.00 -0.50 -3.52 119.26 116.33 2kfs h ALA 145 Ca -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2kfs h ALA 145 Cb 1.96 0.33 0.00 0.00 0.00 0.00 0.00 17.79 20.08 2kfs h ALA 145 CO 0.18 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.77